data_5995 #Corrected using PDB structure: 1ZNDA # #N.B. (Observed* = Observed shift + Offset correction) # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A N/A N/A N/A -0.26 0.03 # #bmr5995.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5995.str file): #HA CA CB CO N HN #N/A N/A N/A N/A -0.26 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A N/A N/A N/A +/-0.26 +/-0.05 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A N/A N/A N/A 0.907 0.780 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A N/A N/A N/A 1.630 0.300 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Temperature Dependent Spectral Density Analysis Applied to Monitoring Backbone Dynamics of Major Urinary Protein-I Complexed with the Pheromone 2-sec-Butyl-4,5-dihyrothiazole ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krizova Hana . . 2 Zidek Lukas . . 3 Stone Martin J. . 4 Novotny Milos V. . 5 Sklenar Vladimir . . stop_ _BMRB_accession_number 5995 _BMRB_flat_file_name bmr5995.str _Entry_type new _Submission_date 2003-11-05 _Accession_date 2003-11-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 8 T2_relaxation 8 heteronuclear_NOE 8 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 159 '15N chemical shifts' 159 'T1 relaxation' 708 'T2 relaxation' 708 'heteronuclear NOE' 708 stop_ loop_ _Related_BMRB_accession_number _Relationship 5996 "Relaxation data of complex form" stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Temperature-Dependent Spectral Density Analysis Applied to Monitoring Backbone Dynamics of Major Urinary Protein-I Complexed with the Pheromone 2-sec-butyl-4,5-dihyrothiazole. ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 14872128 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krizova Hana . . 2 Zidek Lukas . . 3 Stone Martin J. . 4 Novotny Milos V. . 5 Sklenar Vladimir . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 28 _Journal_issue 4 _Page_first 369 _Page_last 384 _Year 2004 save_ ################################## # Molecular system description # ################################## save_system_MUP-I _Saveframe_category molecular_system _Mol_system_name "Major Urinary Protein-I" _Abbreviation_common MUP-I _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "MUP-I" $MUP-I stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'disulfide bound and free' loop_ _Biological_function "pheromone binding" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1I04 . "Four C-terminal residues are missing in the PDB file." stop_ save_ ######################## # Monomeric polymers # ######################## save_MUP-I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Major Urinary Protein-I" _Name_variant . _Abbreviation_common MUP-I _Mol_thiol_state 'disulfide bound and free' ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; EEASSTGRNFNVEKINGEWH TIILASDKREKIEDNGNFRL FLEQIHVLENSLVLKFHTVR DEECSELSMVADKTEKAGEY SVTYDGFNTFTIPKTDYDNF LMAHLINEKDGETFQLMGLY GREPDLSSDIKERFAQLCEK HGILRENIIDLSNANRCLQA RE ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLU 3 ALA 4 SER 5 SER 6 THR 7 GLY 8 ARG 9 ASN 10 PHE 11 ASN 12 VAL 13 GLU 14 LYS 15 ILE 16 ASN 17 GLY 18 GLU 19 TRP 20 HIS 21 THR 22 ILE 23 ILE 24 LEU 25 ALA 26 SER 27 ASP 28 LYS 29 ARG 30 GLU 31 LYS 32 ILE 33 GLU 34 ASP 35 ASN 36 GLY 37 ASN 38 PHE 39 ARG 40 LEU 41 PHE 42 LEU 43 GLU 44 GLN 45 ILE 46 HIS 47 VAL 48 LEU 49 GLU 50 ASN 51 SER 52 LEU 53 VAL 54 LEU 55 LYS 56 PHE 57 HIS 58 THR 59 VAL 60 ARG 61 ASP 62 GLU 63 GLU 64 CYS 65 SER 66 GLU 67 LEU 68 SER 69 MET 70 VAL 71 ALA 72 ASP 73 LYS 74 THR 75 GLU 76 LYS 77 ALA 78 GLY 79 GLU 80 TYR 81 SER 82 VAL 83 THR 84 TYR 85 ASP 86 GLY 87 PHE 88 ASN 89 THR 90 PHE 91 THR 92 ILE 93 PRO 94 LYS 95 THR 96 ASP 97 TYR 98 ASP 99 ASN 100 PHE 101 LEU 102 MET 103 ALA 104 HIS 105 LEU 106 ILE 107 ASN 108 GLU 109 LYS 110 ASP 111 GLY 112 GLU 113 THR 114 PHE 115 GLN 116 LEU 117 MET 118 GLY 119 LEU 120 TYR 121 GLY 122 ARG 123 GLU 124 PRO 125 ASP 126 LEU 127 SER 128 SER 129 ASP 130 ILE 131 LYS 132 GLU 133 ARG 134 PHE 135 ALA 136 GLN 137 LEU 138 CYS 139 GLU 140 LYS 141 HIS 142 GLY 143 ILE 144 LEU 145 ARG 146 GLU 147 ASN 148 ILE 149 ILE 150 ASP 151 LEU 152 SER 153 ASN 154 ALA 155 ASN 156 ARG 157 CYS 158 LEU 159 GLN 160 ALA 161 ARG 162 GLU stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1DF3 "A Chain A, Solution Structure Of A RecombinantMouse Major Urinary Protein" 100.00 162 99 99 1e-88 PDB 1JV4 "A Chain A, Crystal Structure Of RecombinantMajor Mouse Urinary Protein (Rmup) At 1.75 A Resolution" 100.00 162 99 99 1e-88 PDB 1MUP "Major Urinary Protein Complex With2-(Sec-Butyl) Thiazoline" 97.59 166 99 100 2e-89 PDB 1QY0 "A Chain A, Thermodynamics Of Binding Of2-Methoxy-3-Isopropylpyrazine And2-Methoxy-3-Isobutylpyrazine To The Major UrinaryProtein" 93.10 174 99 99 1e-88 PDB 1QY1 "A Chain A, Thermodynamics Of Binding Of2-Methoxy-3-Isopropylpyrazine And2-Methoxy-3-Isobutylpyrazine To The Major UrinaryProtein" 93.10 174 99 99 1e-88 PDB 1QY2 "A Chain A, Thermodynamics Of Binding Of2-Methoxy-3-Isopropylpyrazine And2-Methoxy-3-Isobutylpyrazine To The Major UrinaryProtein" 93.10 174 99 99 1e-88 PDB 1I04 "A Chain A, Crystal Structure Of Mouse MajorUrinary Protein-I From Mouse Liver" 90.00 180 99 100 2e-89 PDB 1I05 "A Chain A, Crystal Structure Of Mouse MajorUrinary Protein (Mup-I) Complexed WithHydroxy-Methyl-Heptanone" 90.00 180 99 100 2e-89 PDB 1I06 "A Chain A, Crystal Structure Of Mouse MajorUrinary Protein (Mup-I) Complexed WithSec-Butyl-Thiazoline" 90.00 180 99 100 2e-89 DBJ BAB28753.1 "unnamed protein product [Mus musculus]" 90.00 180 99 100 2e-89 DBJ BAB29093.1 "unnamed protein product [Mus musculus]" 89.50 181 98 100 2e-88 EMBL CAA27227.1 "MUP [Mus musculus]" 107.28 151 99 100 2e-82 EMBL CAA26953.1 "major urinary protein [Mus musculus]" 90.00 180 99 99 9e-89 EMBL CAC34259.1 "Major Urinary Protein [Mus musculus]" 90.00 180 99 99 1e-88 GenBank AAB47130.1 "uMUP-VIII=18.695 kda major urinaryprotein [mice, Balb/c, urine, Peptide, 162 aa]" 100.00 162 99 100 2e-89 GenBank AAA39764.1 "major urinary protein" 91.01 178 99 99 2e-88 GenBank AAA39767.1 "major urinary protein I" 90.00 180 100 100 8e-90 GenBank AAH12221.1 "Major urinary protein 1 [Mus musculus]" 90.00 180 100 100 8e-90 GenBank AAH13649.1 "Major urinary protein 1 [Mus musculus]" 90.00 180 99 100 2e-89 PIR UAMS "alpha-2u-globulin I precursor - mouse" 90.00 180 99 100 2e-89 REF NP_112465.1 "major urinary protein 1 [Mus musculus]" 90.00 180 100 100 8e-90 REF XP_135574.1 "similar to Major urinary protein 6precursor (MUP 6) (Alpha-2U-globulin) (Group 1, BS6)(Allergen Mus m 1) [Mus musculus]" 90.00 180 99 100 2e-89 REF NP_032673.2 "major urinary protein 2 [Mus musculus]" 90.00 180 98 99 3e-88 SWISS-PROT P04938 "MUP8_MOUSE Major urinary proteins 11 and 8(MUP11 and MUP8)" 107.28 151 99 100 2e-82 SWISS-PROT P11588 "MUP1_MOUSE Major urinary protein 1 precursor(MUP 1)" 90.00 180 100 100 8e-90 SWISS-PROT P02762 "MUP6_MOUSE Major urinary protein 6 precursor(MUP 6) (Alpha-2U-globulin) (Group 1, BS6) (Allergen Musm 1)" 90.00 180 99 100 2e-89 SWISS-PROT P11589 "MUP2_MOUSE Major urinary protein 2 precursor(MUP 2)" 90.00 180 98 99 3e-88 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bond_definitions _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide "MUP-I" 64 CYS SG "MUP-I" 157 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $MUP-I "House mouse" 10090 Eukaryota Metazoa Mus musculus domesticus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MUP-I 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MUP-I 1.8 mM "[U-95% 15N]" stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 15N T1 15N T2 {1H}-15N NOE ; save_ ####################### # Sample conditions # ####################### save_283K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 283 1 K stop_ save_ save_288K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 288 1 K stop_ save_ save_293K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 293 1 K stop_ save_ save_298K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 298 1 K stop_ save_ save_303K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 303 1 K stop_ save_ save_308K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 308 1 K stop_ save_ save_291K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 291 1 K stop_ save_ save_297K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 297 1 K stop_ save_ save_302K _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.2 n/a temperature 302 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $283K _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "MUP-I" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 GLU H H 8.40 0.01 1 2 2 GLU N N 119.66 0.10 1 3 3 ALA H H 8.83 0.01 1 4 3 ALA N N 124.51 0.10 1 5 4 SER H H 8.13 0.01 1 6 4 SER N N 111.58 0.10 1 7 5 SER H H 9.27 0.01 1 8 5 SER N N 120.03 0.10 1 9 6 THR H H 7.11 0.01 1 10 6 THR N N 108.09 0.10 1 11 7 GLY H H 7.57 0.01 1 12 7 GLY N N 110.87 0.10 1 13 8 ARG H H 8.64 0.01 1 14 8 ARG N N 120.28 0.10 1 15 9 ASN H H 8.67 0.01 1 16 9 ASN N N 114.84 0.10 1 17 10 PHE H H 7.79 0.01 1 18 10 PHE N N 121.33 0.10 1 19 11 ASN H H 7.69 0.01 1 20 11 ASN N N 127.44 0.10 1 21 12 VAL H H 8.13 0.01 1 22 12 VAL N N 123.01 0.10 1 23 13 GLU H H 8.04 0.01 1 24 13 GLU N N 117.79 0.10 1 25 14 LYS H H 7.33 0.01 1 26 14 LYS N N 114.31 0.10 1 27 15 ILE H H 7.63 0.01 1 28 15 ILE N N 109.84 0.10 1 29 16 ASN H H 7.10 0.01 1 30 16 ASN N N 118.79 0.10 1 31 17 GLY H H 9.36 0.01 1 32 17 GLY N N 111.33 0.10 1 33 18 GLU H H 8.56 0.01 1 34 18 GLU N N 118.54 0.10 1 35 19 TRP H H 10.15 0.01 1 36 19 TRP N N 128.83 0.10 1 37 20 HIS H H 8.91 0.01 1 38 20 HIS N N 112.07 0.10 1 39 21 THR H H 10.42 0.01 1 40 21 THR N N 121.97 0.10 1 41 22 ILE H H 8.96 0.01 1 42 22 ILE N N 127.49 0.10 1 43 23 ILE H H 7.47 0.01 1 44 23 ILE N N 114.31 0.10 1 45 24 LEU H H 8.26 0.01 1 46 24 LEU N N 122.52 0.10 1 47 25 ALA H H 9.04 0.01 1 48 25 ALA N N 122.12 0.10 1 49 26 SER H H 7.32 0.01 1 50 26 SER N N 111.82 0.10 1 51 27 ASP H H 8.68 0.01 1 52 27 ASP N N 122.52 0.10 1 53 28 LYS H H 8.22 0.01 1 54 28 LYS N N 126.00 0.10 1 55 29 ARG H H 8.77 0.01 1 56 29 ARG N N 126.67 0.10 1 57 30 GLU H H 9.36 0.01 1 58 30 GLU N N 114.30 0.10 1 59 31 LYS H H 7.46 0.01 1 60 31 LYS N N 115.79 0.10 1 61 32 ILE H H 7.47 0.01 1 62 32 ILE N N 106.19 0.10 1 63 33 GLU H H 6.59 0.01 1 64 33 GLU N N 120.78 0.10 1 65 34 ASP H H 8.37 0.01 1 66 34 ASP N N 117.68 0.10 1 67 35 ASN H H 8.92 0.01 1 68 35 ASN N N 116.30 0.10 1 69 36 GLY H H 8.74 0.01 1 70 36 GLY N N 109.84 0.10 1 71 37 ASN H H 9.31 0.01 1 72 37 ASN N N 120.93 0.10 1 73 38 PHE H H 8.56 0.01 1 74 38 PHE N N 114.71 0.10 1 75 39 ARG H H 7.13 0.01 1 76 39 ARG N N 123.77 0.10 1 77 40 LEU H H 6.63 0.01 1 78 40 LEU N N 123.76 0.10 1 79 41 PHE H H 8.62 0.01 1 80 41 PHE N N 123.76 0.10 1 81 42 LEU H H 8.38 0.01 1 82 42 LEU N N 128.73 0.10 1 83 43 GLU H H 9.00 0.01 1 84 43 GLU N N 120.76 0.10 1 85 44 GLN H H 7.35 0.01 1 86 44 GLN N N 114.30 0.10 1 87 45 ILE H H 8.77 0.01 1 88 45 ILE N N 120.32 0.10 1 89 46 HIS H H 9.37 0.01 1 90 46 HIS N N 126.34 0.10 1 91 47 VAL H H 8.79 0.01 1 92 47 VAL N N 127.08 0.10 1 93 48 LEU H H 8.19 0.01 1 94 48 LEU N N 129.48 0.10 1 95 49 GLU H H 8.62 0.01 1 96 49 GLU N N 119.53 0.10 1 97 50 ASN H H 8.59 0.01 1 98 50 ASN N N 114.58 0.10 1 99 51 SER H H 7.49 0.01 1 100 51 SER N N 111.66 0.10 1 101 52 LEU H H 9.09 0.01 1 102 52 LEU N N 118.79 0.10 1 103 53 VAL H H 9.16 0.01 1 104 53 VAL N N 122.02 0.10 1 105 54 LEU H H 9.09 0.01 1 106 54 LEU N N 128.73 0.10 1 107 55 LYS H H 8.11 0.01 1 108 55 LYS N N 122.02 0.10 1 109 56 PHE H H 9.19 0.01 1 110 56 PHE N N 122.28 0.10 1 111 57 HIS H H 8.98 0.01 1 112 57 HIS N N 113.15 0.10 1 113 58 THR H H 9.04 0.01 1 114 58 THR N N 112.20 0.10 1 115 59 VAL H H 9.07 0.01 1 116 59 VAL N N 121.80 0.10 1 117 60 ARG H H 8.38 0.01 1 118 60 ARG N N 127.01 0.10 1 119 61 ASP H H 9.43 0.01 1 120 61 ASP N N 126.94 0.10 1 121 62 GLU H H 8.38 0.01 1 122 62 GLU N N 110.18 0.10 1 123 63 GLU H H 7.98 0.01 1 124 63 GLU N N 120.28 0.10 1 125 64 CYS H H 9.00 0.01 1 126 64 CYS N N 123.90 0.10 1 127 65 SER H H 8.86 0.01 1 128 65 SER N N 118.16 0.10 1 129 66 GLU H H 8.71 0.01 1 130 66 GLU N N 123.76 0.10 1 131 67 LEU H H 8.58 0.01 1 132 67 LEU N N 124.71 0.10 1 133 68 SER H H 8.56 0.01 1 134 68 SER N N 118.49 0.10 1 135 69 MET H H 9.25 0.01 1 136 69 MET N N 120.05 0.10 1 137 70 VAL H H 8.59 0.01 1 138 70 VAL N N 122.02 0.10 1 139 71 ALA H H 9.47 0.01 1 140 71 ALA N N 130.72 0.10 1 141 72 ASP H H 8.89 0.01 1 142 72 ASP N N 123.01 0.10 1 143 73 LYS H H 8.19 0.01 1 144 73 LYS N N 120.45 0.10 1 145 74 THR H H 7.83 0.01 1 146 74 THR N N 114.31 0.10 1 147 75 GLU H H 8.66 0.01 1 148 75 GLU N N 116.30 0.10 1 149 76 LYS H H 7.98 0.01 1 150 76 LYS N N 121.52 0.10 1 151 77 ALA H H 8.27 0.01 1 152 77 ALA N N 127.49 0.10 1 153 78 GLY H H 8.38 0.01 1 154 78 GLY N N 108.02 0.10 1 155 79 GLU H H 7.29 0.01 1 156 79 GLU N N 120.03 0.10 1 157 80 TYR H H 8.64 0.01 1 158 80 TYR N N 125.25 0.10 1 159 81 SER H H 9.60 0.01 1 160 81 SER N N 114.23 0.10 1 161 82 VAL H H 8.59 0.01 1 162 82 VAL N N 117.29 0.10 1 163 83 THR H H 9.37 0.01 1 164 83 THR N N 127.99 0.10 1 165 84 TYR H H 8.64 0.01 1 166 84 TYR N N 128.23 0.10 1 167 85 ASP H H 8.55 0.01 1 168 85 ASP N N 129.73 0.10 1 169 86 GLY H H 7.80 0.01 1 170 86 GLY N N 102.62 0.10 1 171 87 PHE H H 8.41 0.01 1 172 87 PHE N N 120.18 0.10 1 173 88 ASN H H 7.98 0.01 1 174 88 ASN N N 122.52 0.10 1 175 89 THR H H 8.70 0.01 1 176 89 THR N N 112.82 0.10 1 177 90 PHE H H 9.35 0.01 1 178 90 PHE N N 119.98 0.10 1 179 91 THR H H 8.62 0.01 1 180 91 THR N N 110.08 0.10 1 181 92 ILE H H 8.16 0.01 1 183 94 LYS H H 6.90 0.01 1 184 94 LYS N N 111.08 0.10 1 185 95 THR H H 8.72 0.01 1 186 95 THR N N 118.79 0.10 1 187 96 ASP H H 6.87 0.01 1 188 96 ASP N N 124.26 0.10 1 189 97 TYR H H 8.74 0.01 1 190 97 TYR N N 115.31 0.10 1 191 98 ASP H H 9.31 0.01 1 192 98 ASP N N 119.17 0.10 1 193 99 ASN H H 8.89 0.01 1 194 99 ASN N N 116.55 0.10 1 195 100 PHE H H 9.80 0.01 1 196 100 PHE N N 117.05 0.10 1 197 101 LEU H H 9.32 0.01 1 198 101 LEU N N 125.75 0.10 1 199 102 MET H H 9.07 0.01 1 200 102 MET N N 124.78 0.10 1 201 103 ALA H H 9.32 0.01 1 202 103 ALA N N 121.52 0.10 1 203 104 HIS H H 8.58 0.01 1 204 104 HIS N N 120.59 0.10 1 205 105 LEU H H 9.60 0.01 1 206 105 LEU N N 131.68 0.10 1 207 106 ILE H H 8.98 0.01 1 208 106 ILE N N 124.78 0.10 1 209 107 ASN H H 8.31 0.01 1 210 107 ASN N N 128.00 0.10 1 211 108 GLU H H 8.89 0.01 1 212 108 GLU N N 123.76 0.10 1 213 109 LYS H H 8.65 0.01 1 214 109 LYS N N 125.80 0.10 1 215 110 ASP H H 9.51 0.01 1 216 110 ASP N N 128.75 0.10 1 217 111 GLY H H 8.79 0.01 1 218 111 GLY N N 103.87 0.10 1 219 112 GLU H H 7.96 0.01 1 220 112 GLU N N 120.28 0.10 1 221 113 THR H H 8.71 0.01 1 222 113 THR N N 117.34 0.10 1 223 114 PHE H H 8.44 0.01 1 224 114 PHE N N 120.02 0.10 1 225 115 GLN H H 9.98 0.01 1 226 115 GLN N N 118.00 0.10 1 227 116 LEU H H 9.49 0.01 1 228 116 LEU N N 125.25 0.10 1 229 117 MET H H 9.46 0.01 1 230 117 MET N N 124.75 0.10 1 231 118 GLY H H 8.77 0.01 1 232 118 GLY N N 109.30 0.10 1 233 119 LEU H H 8.25 0.01 1 234 119 LEU N N 124.01 0.10 1 235 120 TYR H H 9.32 0.01 1 236 120 TYR N N 125.72 0.10 1 237 121 GLY H H 9.52 0.01 1 238 121 GLY N N 108.02 0.10 1 239 122 ARG H H 8.22 0.01 1 240 122 ARG N N 120.45 0.10 1 241 123 GLU H H 8.46 0.01 1 243 125 ASP H H 7.16 0.01 1 244 125 ASP N N 113.56 0.10 1 245 126 LEU H H 8.44 0.01 1 246 126 LEU N N 123.23 0.10 1 247 127 SER H H 8.16 0.01 1 248 127 SER N N 114.06 0.10 1 249 128 SER H H 8.95 0.01 1 250 128 SER N N 117.56 0.10 1 251 129 ASP H H 8.47 0.01 1 252 129 ASP N N 120.53 0.10 1 253 130 ILE H H 7.38 0.01 1 254 130 ILE N N 121.27 0.10 1 255 131 LYS H H 7.58 0.01 1 256 131 LYS N N 118.56 0.10 1 257 132 GLU H H 8.29 0.01 1 258 132 GLU N N 120.45 0.10 1 259 133 ARG H H 7.70 0.01 1 260 133 ARG N N 120.53 0.10 1 261 134 PHE H H 8.41 0.01 1 262 134 PHE N N 119.64 0.10 1 263 135 ALA H H 8.26 0.01 1 264 135 ALA N N 124.01 0.10 1 265 136 GLN H H 8.04 0.01 1 266 136 GLN N N 115.52 0.10 1 267 137 LEU H H 7.51 0.01 1 268 137 LEU N N 122.48 0.10 1 269 138 CYS H H 8.13 0.01 1 270 138 CYS N N 120.32 0.10 1 271 139 GLU H H 7.98 0.01 1 272 139 GLU N N 120.20 0.10 1 273 140 LYS H H 7.68 0.01 1 274 140 LYS N N 120.12 0.10 1 275 141 HIS H H 7.33 0.01 1 276 141 HIS N N 114.44 0.10 1 277 142 GLY H H 7.74 0.01 1 278 142 GLY N N 106.35 0.10 1 279 143 ILE H H 7.81 0.01 1 280 143 ILE N N 121.77 0.10 1 281 144 LEU H H 7.98 0.01 1 282 144 LEU N N 124.75 0.10 1 283 145 ARG H H 8.64 0.01 1 284 145 ARG N N 119.17 0.10 1 285 146 GLU H H 8.77 0.01 1 286 146 GLU N N 116.30 0.10 1 287 147 ASN H H 8.19 0.01 1 288 147 ASN N N 120.28 0.10 1 289 148 ILE H H 7.05 0.01 1 290 148 ILE N N 118.04 0.10 1 291 149 ILE H H 9.34 0.01 1 292 149 ILE N N 128.03 0.10 1 293 150 ASP H H 8.70 0.01 1 294 150 ASP N N 126.99 0.10 1 295 151 LEU H H 8.92 0.01 1 296 151 LEU N N 129.58 0.10 1 297 152 SER H H 9.04 0.01 1 298 152 SER N N 118.54 0.10 1 299 153 ASN H H 8.40 0.01 1 300 153 ASN N N 117.05 0.10 1 301 154 ALA H H 7.79 0.01 1 302 154 ALA N N 121.76 0.10 1 303 155 ASN H H 8.01 0.01 1 304 155 ASN N N 116.80 0.10 1 305 156 ARG H H 7.88 0.01 1 306 156 ARG N N 121.52 0.10 1 307 157 CYS H H 8.29 0.01 1 308 157 CYS N N 117.82 0.10 1 309 158 LEU H H 8.07 0.01 1 310 158 LEU N N 122.28 0.10 1 311 159 GLN H H 8.28 0.01 1 312 159 GLN N N 120.66 0.10 1 313 160 ALA H H 8.23 0.01 1 314 160 ALA N N 125.50 0.10 1 315 161 ARG H H 8.22 0.01 1 316 161 ARG N N 120.59 0.10 1 317 162 GLU H H 7.96 0.01 1 stop_ save_ save_283_600_free_t1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $283K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T1_coherence_type Nz _T1_value_units ms loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 SER N 964.99 51.89 2 6 THR N 845.49 67.59 3 7 GLY N 864.40 30.67 4 11 ASN N 902.21 27.08 5 12 VAL N 1050.7 20.74 6 13 GLU N 1055.8 33.58 7 15 ILE N 1042.9 21.53 8 16 ASN N 1042.9 32.33 9 17 GLY N 1038.9 38.36 10 22 ILE N 958.37 39.94 11 23 ILE N 1045.2 31.69 12 26 SER N 1046.9 27.14 13 28 LYS N 993.97 19.01 14 30 GLU N 891.38 32.23 15 31 LYS N 963.94 34.67 16 32 ILE N 956.89 42.70 17 33 GLU N 970.01 37.11 18 36 GLY N 913.30 19.86 19 37 ASN N 830.80 60.93 20 39 ARG N 977.28 33.34 21 48 LEU N 990.00 23.89 22 51 SER N 897.50 32.90 23 54 LEU N 1008.0 26.44 24 61 ASP N 889.94 73.26 25 71 ALA N 1013.9 34.91 26 74 THR N 907.06 24.94 27 79 GLU N 917.54 21.81 28 81 SER N 984.77 41.84 29 84 TYR N 1003.3 43.82 30 85 ASP N 889.19 71.06 31 86 GLY N 1002.2 24.37 32 89 THR N 964.39 24.66 33 91 THR N 1133.9 40.17 34 92 ILE N 1017.8 56.77 35 94 LYS N 1065.3 34.91 36 96 ASP N 1070.4 45.70 37 97 TYR N 1029.5 15.84 38 100 PHE N 1105.0 34.08 39 101 LEU N 1083.0 27.43 40 103 ALA N 1086.8 35.75 41 105 LEU N 1041.4 50.46 42 107 ASN N 954.94 31.14 43 111 GLY N 906.94 65.49 44 115 GLN N 1026.6 29.61 45 116 LEU N 1049.2 39.63 46 117 MET N 1091.5 54.07 47 118 GLY N 1044.4 35.00 48 119 LEU N 1033.4 25.50 49 120 TYR N 1076.6 19.75 50 121 GLY N 979.98 30.71 51 125 ASP N 1004.9 40.68 52 126 LEU N 1025.4 38.84 53 127 SER N 959.45 49.60 54 130 ILE N 937.98 29.23 55 131 LYS N 975.99 19.84 56 133 ARG N 983.31 19.71 57 135 ALA N 993.81 26.11 58 136 GLN N 1014.2 27.05 59 137 LEU N 1014.7 35.86 60 138 CYS N 1018.6 34.36 61 140 LYS N 1023.1 30.36 62 141 HIS N 1066.4 31.35 63 142 GLY N 997.53 31.09 64 144 LEU N 1048.1 28.83 65 148 ILE N 988.60 32.98 66 151 LEU N 1016.3 64.05 67 160 ALA N 678.35 22.73 68 162 GLU N 697.88 18.80 stop_ save_ save_283_600_free_t2 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $283K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T2_coherence_type Nx _T2_value_units ms loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 4 SER N 57.32 0.68 2 6 THR N 50.87 7.59 3 7 GLY N 54.01 0.65 4 11 ASN N 65.51 0.96 5 12 VAL N 60.04 7.82 6 13 GLU N 56.75 5.83 7 15 ILE N 62.66 4.00 8 16 ASN N 52.50 1.54 9 17 GLY N 52.11 2.98 10 22 ILE N 46.09 5.07 11 23 ILE N 55.07 9.18 12 26 SER N 66.30 7.21 13 28 LYS N 63.29 3.69 14 30 GLU N 56.55 0.64 15 31 LYS N 56.58 3.44 16 32 ILE N 53.80 1.79 17 33 GLU N 60.92 0.73 18 36 GLY N 60.98 3.91 19 37 ASN N 42.82 3.08 20 39 ARG N 52.94 3.54 21 48 LEU N 61.33 4.35 22 51 SER N 68.23 8.64 23 54 LEU N 68.83 12.7 24 61 ASP N 49.32 3.21 25 71 ALA N 65.40 2.51 26 74 THR N 63.59 5.38 27 79 GLU N 56.30 1.18 28 81 SER N 55.03 3.08 29 84 TYR N 61.73 14.5 30 85 ASP N 61.30 24.7 31 86 GLY N 58.80 2.16 32 89 THR N 48.32 3.67 33 91 THR N 50.86 0.78 34 92 ILE N 63.59 11.4 35 94 LYS N 53.04 2.14 36 96 ASP N 59.96 3.37 37 97 TYR N 53.70 10.3 38 100 PHE N 53.46 4.02 39 101 LEU N 49.69 1.28 40 103 ALA N 59.87 5.14 41 105 LEU N 56.43 1.32 42 107 ASN N 65.24 16.0 43 111 GLY N 56.92 5.70 44 115 GLN N 59.59 5.45 45 116 LEU N 51.35 3.74 46 117 MET N 53.79 8.07 47 118 GLY N 52.37 1.57 48 119 LEU N 53.41 0.88 49 120 TYR N 52.57 2.02 50 121 GLY N 51.30 8.05 51 125 ASP N 52.70 4.01 52 126 LEU N 56.67 4.00 53 127 SER N 60.86 1.92 54 130 ILE N 59.21 1.74 55 131 LYS N 56.72 2.43 56 133 ARG N 59.14 6.32 57 135 ALA N 59.48 0.55 58 136 GLN N 62.47 3.83 59 137 LEU N 56.32 1.79 60 138 CYS N 46.05 3.62 61 140 LYS N 59.47 4.19 62 141 HIS N 64.39 3.70 63 142 GLY N 57.41 2.57 64 144 LEU N 65.97 0.57 65 148 ILE N 61.98 0.65 66 151 LEU N 60.28 13.2 67 160 ALA N 95.22 3.60 68 162 GLU N 209.0 59.2 stop_ save_ save_283_600_free_noe _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $283K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 4 SER 0.70 0.05 2 6 THR 0.74 0.04 3 7 GLY 0.73 0.02 4 11 ASN 0.74 0.01 5 12 VAL 0.79 0.01 6 13 GLU 0.73 0.04 7 15 ILE 0.88 0.03 8 16 ASN 0.82 0.01 9 17 GLY 0.80 0.04 10 22 ILE 0.72 0.08 11 23 ILE 0.79 0.01 12 26 SER 0.83 0.01 13 28 LYS 0.78 0.01 14 30 GLU 0.78 0.00 15 31 LYS 0.78 0.01 16 32 ILE 0.84 0.04 17 33 GLU 0.85 0.03 18 36 GLY 0.75 0.03 19 37 ASN 0.81 0.12 20 39 ARG 0.79 0.02 21 48 LEU 0.80 0.02 22 51 SER 0.71 0.02 23 54 LEU 0.78 0.08 24 61 ASP 0.73 0.05 25 71 ALA 0.76 0.02 26 74 THR 0.67 0.02 27 79 GLU 0.80 0.02 28 81 SER 0.82 0.07 29 84 TYR 0.82 0.02 30 85 ASP 0.82 0.03 31 86 GLY 0.85 0.00 32 89 THR 0.85 0.02 33 91 THR 0.75 0.09 34 92 ILE 0.77 0.01 35 94 LYS 0.86 0.05 36 96 ASP 0.86 0.05 37 97 TYR 0.81 0.04 38 100 PHE 0.80 0.08 39 101 LEU 0.78 0.01 40 103 ALA 0.83 0.03 41 105 LEU 0.83 0.10 42 107 ASN 0.83 0.01 43 111 GLY 0.72 0.02 44 115 GLN 0.80 0.00 45 116 LEU 0.81 0.01 46 117 MET 0.88 0.02 47 118 GLY 0.85 0.09 48 119 LEU 0.82 0.07 49 120 TYR 0.86 0.05 50 121 GLY 0.87 0.03 51 125 ASP 0.79 0.01 52 126 LEU 0.72 0.02 53 127 SER 0.80 0.01 54 130 ILE 0.81 0.02 55 131 LYS 0.80 0.02 56 133 ARG 0.83 0.01 57 135 ALA 0.83 0.01 58 136 GLN 0.79 0.01 59 137 LEU 0.81 0.02 60 138 CYS 0.80 0.02 61 140 LYS 0.79 0.01 62 141 HIS 0.79 0.00 63 142 GLY 0.78 0.02 64 144 LEU 0.62 0.02 65 148 ILE 0.78 0.01 66 151 LEU 0.82 0.05 67 160 ALA 0.12 0.00 68 162 GLU -0.29 0.07 stop_ save_ save_288_600_free_t1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $288K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T1_coherence_type Nz _T1_value_units ms loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 901.18 29.93 2 4 SER N 913.94 41.60 3 6 THR N 785.19 42.00 4 10 PHE N 919.79 44.36 5 11 ASN N 864.18 35.43 6 12 VAL N 1008.8 26.53 7 13 GLU N 947.04 17.93 8 16 ASN N 954.55 24.81 9 17 GLY N 953.75 24.66 10 22 ILE N 954.51 26.37 11 23 ILE N 988.22 16.85 12 24 LEU N 967.27 23.88 13 26 SER N 965.41 18.26 14 28 LYS N 974.58 27.90 15 30 GLU N 850.14 20.94 16 31 LYS N 917.18 14.87 17 32 ILE N 882.21 19.86 18 33 GLU N 917.53 26.08 19 35 ASN N 968.10 20.76 20 36 GLY N 828.53 22.59 21 37 ASN N 833.18 29.01 22 38 PHE N 871.92 19.55 23 39 ARG N 942.60 32.82 24 40 LEU N 988.58 23.27 25 46 HIS N 949.54 16.66 26 48 LEU N 944.17 26.64 27 51 SER N 842.34 23.36 28 53 VAL N 1010.4 12.11 29 54 LEU N 959.97 21.16 30 55 LYS N 973.34 16.53 31 58 THR N 898.92 21.00 32 60 ARG N 904.37 25.17 33 61 ASP N 861.89 45.18 34 62 GLU N 860.53 22.63 35 64 CYS N 927.25 51.04 36 66 GLU N 872.46 29.34 37 68 SER N 945.88 21.66 38 69 MET N 974.01 20.53 39 71 ALA N 937.92 26.34 40 72 ASP N 1037.7 36.37 41 74 THR N 877.45 23.71 42 75 GLU N 872.33 54.33 43 76 LYS N 956.42 27.34 44 77 ALA N 939.33 101.4 45 79 GLU N 870.85 25.37 46 80 TYR N 910.63 14.33 47 81 SER N 950.37 25.3 48 82 VAL N 916.86 29.25 49 84 TYR N 980.29 18.51 50 85 ASP N 852.94 39.54 51 86 GLY N 921.54 20.87 52 88 ASN N 977.53 18.92 53 89 THR N 923.25 25.18 54 91 THR N 891.44 41.66 55 92 ILE N 937.66 32.53 56 94 LYS N 970.63 30.49 57 95 THR N 979.12 31.15 58 96 ASP N 947.53 20.55 59 97 TYR N 928.12 45.36 60 99 ASN N 857.21 53.45 61 100 PHE N 1014.1 12.83 62 101 LEU N 991.55 21.21 63 102 MET N 982.05 22.61 64 103 ALA N 996.75 17.16 65 105 LEU N 944.55 23.79 66 107 ASN N 911.95 26.21 67 108 GLU N 929.41 20.59 68 111 GLY N 822.93 46.74 69 113 THR N 883.08 27.35 70 115 GLN N 924.15 23.10 71 116 LEU N 965.39 24.42 72 117 MET N 979.25 30.60 73 118 GLY N 987.33 15.52 74 119 LEU N 981.57 16.25 75 120 TYR N 987.07 13.57 76 121 GLY N 949.24 15.50 77 125 ASP N 908.58 19.28 78 126 LEU N 966.15 14.52 79 127 SER N 904.95 31.29 80 130 ILE N 907.98 27.62 81 131 LYS N 893.79 23.19 82 133 ARG N 927.38 28.12 83 135 ALA N 901.67 24.20 84 136 GLN N 934.39 21.44 85 137 LEU N 936.71 23.43 86 138 CYS N 929.29 18.69 87 140 LYS N 947.99 25.22 88 141 HIS N 956.48 10.48 89 142 GLY N 939.07 22.06 90 144 LEU N 993.16 19.69 91 145 ARG N 959.39 20.79 92 146 GLU N 863.24 38.48 93 148 ILE N 939.94 22.82 94 151 LEU N 979.48 31.60 95 155 ASN N 961.72 22.88 96 157 CYS N 979.33 26.60 97 158 LEU N 970.03 15.26 98 162 GLU N 688.37 15.70 stop_ save_ save_288_600_free_t2 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $288K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T2_coherence_type Nx _T2_value_units ms loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 3 ALA N 56.13 29.67 2 4 SER N 70.41 46.22 3 6 THR N 51.57 26.90 4 10 PHE N 55.73 32.61 5 11 ASN N 57.33 6.024 6 12 VAL N 77.91 30.52 7 13 GLU N 62.23 23.16 8 16 ASN N 53.92 11.49 9 17 GLY N 69.35 5.489 10 22 ILE N 64.72 7.733 11 23 ILE N 81.22 69.37 12 24 LEU N 64.36 2.907 13 26 SER N 82.54 10.04 14 28 LYS N 63.14 6.235 15 30 GLU N 67.38 9.314 16 31 LYS N 62.58 14.45 17 32 ILE N 56.97 43.74 18 33 GLU N 69.29 20.07 19 35 ASN N 65.38 20.36 20 36 GLY N 67.36 9.658 21 37 ASN N 47.26 31.75 22 38 PHE N 57.97 13.96 23 39 ARG N 60.64 16.22 24 40 LEU N 27.66 30.15 25 46 HIS N 66.81 21.64 26 48 LEU N 73.38 3.694 27 51 SER N 72.18 14.15 28 53 VAL N 68.71 3.204 29 54 LEU N 81.02 37.54 30 55 LYS N 64.32 27.24 31 58 THR N 42.76 7.267 32 60 ARG N 65.21 2.495 33 61 ASP N 53.89 4.524 34 62 GLU N 45.36 39.30 35 64 CYS N 53.31 15.98 36 66 GLU N 46.98 14.77 37 68 SER N 68.83 2.917 38 69 MET N 71.23 21.19 39 71 ALA N 73.78 5.349 40 72 ASP N 79.42 32.39 41 74 THR N 80.77 28.00 42 75 GLU N 67.12 42.82 43 76 LYS N 65.98 9.038 44 77 ALA N 61.37 40.92 45 79 GLU N 61.73 6.582 46 80 TYR N 65.28 18.69 47 81 SER N 78.30 59.29 48 82 VAL N 50.39 39.01 49 84 TYR N 69.99 24.39 50 85 ASP N 69.39 12.65 51 86 GLY N 68.62 28.48 52 88 ASN N 68.11 12.27 53 89 THR N 68.80 13.42 54 91 THR N 45.51 5.514 55 92 ILE N 47.79 30.66 56 94 LYS N 49.83 25.86 57 95 THR N 52.87 24.22 58 96 ASP N 66.83 15.59 59 97 TYR N 73.97 19.37 60 99 ASN N 15.53 21.22 61 100 PHE N 45.48 59.94 62 101 LEU N 56.31 20.49 63 102 MET N 55.27 41.59 64 103 ALA N 68.04 5.477 65 105 LEU N 50.39 9.308 66 107 ASN N 65.56 25.08 67 108 GLU N 80.15 36.52 68 111 GLY N 69.11 25.85 69 113 THR N 77.12 7.326 70 115 GLN N 80.96 11.81 71 116 LEU N 58.27 42.19 72 117 MET N 47.95 8.049 73 118 GLY N 64.48 4.812 74 119 LEU N 58.39 13.84 75 120 TYR N 54.69 23.03 76 121 GLY N 58.01 12.66 77 125 ASP N 55.88 2.623 78 126 LEU N 68.63 25.73 79 127 SER N 77.90 34.07 80 130 ILE N 62.15 11.35 81 131 LYS N 72.55 11.73 82 133 ARG N 63.26 7.092 83 135 ALA N 67.35 17.12 84 136 GLN N 65.09 15.86 85 137 LEU N 57.75 30.57 86 138 CYS N 67.97 5.844 87 140 LYS N 67.89 3.780 88 141 HIS N 84.22 26.46 89 142 GLY N 60.50 23.28 90 144 LEU N 85.21 10.97 91 145 ARG N 64.42 13.62 92 146 GLU N 65.25 5.771 93 148 ILE N 75.24 3.079 94 151 LEU N 49.50 7.098 95 155 ASN N 58.26 5.833 96 157 CYS N 72.57 9.715 97 158 LEU N 80.50 16.69 98 162 GLU N 116.5 25.32 stop_ save_ save_288_600_free_noe _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $288K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 3 ALA 0.75 0.04 2 4 SER 0.72 0.03 3 6 THR 0.78 0.02 4 10 PHE 0.57 0.02 5 11 ASN 0.81 0.02 6 12 VAL 0.77 0.03 7 13 GLU 0.83 0.01 8 16 ASN 0.83 0.02 9 17 GLY 0.80 0.03 10 22 ILE 0.80 0.02 11 23 ILE 0.84 0.02 12 24 LEU 0.79 0.03 13 26 SER 0.83 0.02 14 28 LYS 0.78 0.02 15 30 GLU 0.76 0.04 16 31 LYS 0.83 0.01 17 32 ILE 0.84 0.03 18 33 GLU 0.85 0.06 19 35 ASN 0.79 0.02 20 36 GLY 0.77 0.04 21 37 ASN 0.79 0.12 22 38 PHE 0.82 0.05 23 39 ARG 0.81 0.06 24 40 LEU 0.78 0.01 25 46 HIS 0.83 0.02 26 48 LEU 0.80 0.01 27 51 SER 0.73 0.02 28 53 VAL 0.80 0.02 29 54 LEU 0.78 0.02 30 55 LYS 0.88 0.09 31 58 THR 0.80 0.02 32 60 ARG 0.68 0.02 33 61 ASP 0.68 0.03 34 62 GLU 0.70 0.02 35 64 CYS 0.65 0.03 36 66 GLU 0.67 0.03 37 68 SER 0.71 0.02 38 69 MET 0.73 0.03 39 71 ALA 0.79 0.02 40 72 ASP 0.81 0.02 41 74 THR 0.71 0.03 42 75 GLU 0.69 0.03 43 76 LYS 0.77 0.02 44 77 ALA 0.78 0.10 45 79 GLU 0.81 0.04 46 80 TYR 0.84 0.04 47 81 SER 0.81 0.05 48 82 VAL 0.87 0.07 49 84 TYR 0.81 0.02 50 85 ASP 0.83 0.02 51 86 GLY 0.80 0.01 52 88 ASN 0.80 0.02 53 89 THR 0.85 0.05 54 91 THR 0.84 0.09 55 92 ILE 0.82 0.04 56 94 LYS 0.84 0.03 57 95 THR 0.81 0.02 58 96 ASP 0.81 0.08 59 97 TYR 0.81 0.02 60 99 ASN 0.76 0.03 61 100 PHE 0.81 0.06 62 101 LEU 0.84 0.04 63 102 MET 0.80 0.02 64 103 ALA 0.80 0.02 65 105 LEU 0.84 0.02 66 107 ASN 0.79 0.03 67 108 GLU 0.81 0.02 68 111 GLY 0.74 0.02 69 113 THR 0.77 0.02 70 115 GLN 0.79 0.02 71 116 LEU 0.79 0.02 72 117 MET 0.78 0.02 73 118 GLY 0.84 0.02 74 119 LEU 0.78 0.03 75 120 TYR 0.82 0.03 76 121 GLY 0.83 0.03 77 125 ASP 0.74 0.03 78 126 LEU 0.75 0.02 79 127 SER 0.80 0.02 80 130 ILE 0.83 0.06 81 131 LYS 0.85 0.03 82 133 ARG 0.84 0.04 83 135 ALA 0.84 0.04 84 136 GLN 0.83 0.02 85 137 LEU 0.82 0.02 86 138 CYS 0.82 0.03 87 140 LYS 0.79 0.02 88 141 HIS 0.82 0.02 89 142 GLY 0.78 0.03 90 144 LEU 0.66 0.02 91 145 ARG 0.71 0.02 92 146 GLU 0.80 0.02 93 148 ILE 0.82 0.04 94 151 LEU 0.78 0.02 95 155 ASN 0.79 0.04 96 157 CYS 0.76 0.01 97 158 LEU 0.74 0.05 98 162 GLU 0.06 0.02 stop_ save_ save_298_600_free_t1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $298K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T1_coherence_type Nz _T1_value_units ms loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 736.03 13.27 2 4 SER N 674.35 41.11 3 11 ASN N 651.68 34.69 4 12 VAL N 759.17 22.32 5 13 GLU N 753.74 13.09 6 16 ASN N 756.46 7.279 7 17 GLY N 746.54 11.82 8 18 GLU N 798.67 35.61 9 19 TRP N 731.97 19.00 10 20 HIS N 720.22 12.10 11 22 ILE N 745.39 13.87 12 23 ILE N 772.34 9.415 13 24 LEU N 766.44 9.429 14 26 SER N 755.65 7.373 15 27 ASP N 734.82 14.62 16 28 LYS N 747.91 12.08 17 30 GLU N 620.98 25.04 18 31 LYS N 683.17 10.15 19 32 ILE N 706.68 11.31 20 33 GLU N 720.84 11.79 21 36 GLY N 648.01 19.03 22 37 ASN N 726.10 20.93 23 38 PHE N 696.68 15.81 24 39 ARG N 701.33 14.53 25 40 LEU N 760.03 18.49 26 41 PHE N 732.28 16.63 27 48 LEU N 751.53 16.45 28 51 SER N 627.33 20.09 29 53 VAL N 798.01 7.482 30 54 LEU N 772.15 13.66 31 55 LYS N 754.74 12.78 32 57 HIS N 735.43 17.22 33 58 THR N 769.52 23.73 34 60 ARG N 682.87 11.77 35 62 GLU N 669.51 22.49 36 64 CYS N 727.66 16.19 37 66 GLU N 678.88 32.27 38 68 SER N 682.53 28.74 39 69 MET N 787.15 10.93 40 70 VAL N 681.70 38.08 41 71 ALA N 756.05 20.04 42 72 ASP N 768.90 10.90 43 74 THR N 649.59 22.00 44 75 GLU N 657.87 28.80 45 76 LYS N 721.45 15.28 46 79 GLU N 675.73 9.531 47 81 SER N 726.80 11.42 48 82 VAL N 719.82 20.37 49 84 TYR N 751.74 12.70 50 85 ASP N 696.72 23.24 51 86 GLY N 712.04 14.52 52 88 ASN N 784.50 9.011 53 89 THR N 722.28 18.64 54 91 THR N 743.76 36.05 55 92 ILE N 743.85 27.33 56 94 LYS N 775.56 12.71 57 96 ASP N 751.25 16.00 58 97 TYR N 723.57 17.35 59 100 PHE N 827.86 21.74 60 101 LEU N 784.81 17.52 61 103 ALA N 793.94 29.08 62 104 HIS N 780.79 9.724 63 105 LEU N 752.35 17.82 64 106 ILE N 790.22 17.26 65 107 ASN N 731.97 16.15 66 111 GLY N 647.65 37.49 67 113 THR N 746.05 21.35 68 114 PHE N 743.98 9.151 69 115 GLN N 753.26 16.01 70 116 LEU N 768.75 12.98 71 117 MET N 795.66 16.78 72 118 GLY N 763.21 17.53 73 119 LEU N 771.38 11.51 74 120 TYR N 802.90 21.64 75 121 GLY N 756.73 16.37 76 123 GLU N 794.18 17.22 77 125 ASP N 717.87 18.22 78 126 LEU N 755.65 12.88 79 127 SER N 681.84 33.04 80 128 SER N 656.19 16.85 81 129 ASP N 828.27 8.724 82 130 ILE N 681.92 16.09 83 131 LYS N 713.62 15.03 84 133 ARG N 735.36 9.642 85 134 PHE N 719.19 12.33 86 135 ALA N 710.16 11.92 87 136 GLN N 751.75 9.767 88 137 LEU N 758.25 10.08 89 138 CYS N 735.38 8.301 90 140 LYS N 757.20 11.13 91 141 HIS N 793.54 9.562 92 142 GLY N 701.77 13.18 93 143 ILE N 684.93 20.87 94 144 LEU N 796.12 10.80 95 145 ARG N 713.77 19.30 96 146 GLU N 641.91 40.11 97 148 ILE N 751.66 11.91 98 151 LEU N 786.38 20.09 99 158 LEU N 741.72 16.73 100 162 GLU N 672.26 11.25 stop_ save_ save_298_600_free_t2 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $298K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T2_coherence_type Nx _T2_value_units ms loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 3 ALA N 66.99 18.80 2 4 SER N 82.68 42.77 3 11 ASN N 86.08 8.105 4 12 VAL N 95.26 7.920 5 13 GLU N 78.89 0.777 6 16 ASN N 75.59 0.504 7 17 GLY N 77.94 9.396 8 18 GLU N 38.80 14.23 9 19 TRP N 52.07 24.35 10 20 HIS N 64.29 3.347 11 22 ILE N 73.58 26.13 12 23 ILE N 88.96 8.313 13 24 LEU N 84.91 1.871 14 26 SER N 87.93 11.52 15 27 ASP N 86.09 1.326 16 28 LYS N 95.45 1.017 17 30 GLU N 87.88 4.505 18 31 LYS N 80.75 7.710 19 32 ILE N 84.60 3.807 20 33 GLU N 89.26 0.987 21 36 GLY N 99.86 9.034 22 37 ASN N 54.89 1.710 23 38 PHE N 89.19 4.207 24 39 ARG N 84.89 4.250 25 40 LEU N 74.17 8.651 26 41 PHE N 101.5 10.00 27 48 LEU N 95.03 0.883 28 51 SER N 111.0 29.48 29 53 VAL N 85.57 1.997 30 54 LEU N 103.6 11.92 31 55 LYS N 86.60 13.86 32 57 HIS N 61.30 4.898 33 58 THR N 67.49 2.268 34 60 ARG N 94.33 4.469 35 62 GLU N 46.88 1.105 36 64 CYS N 91.20 2.781 37 66 GLU N 88.61 2.274 38 68 SER N 88.04 6.694 39 69 MET N 83.68 1.537 40 70 VAL N 70.85 11.50 41 71 ALA N 91.78 1.144 42 72 ASP N 92.79 19.21 43 74 THR N 101.9 12.46 44 75 GLU N 94.43 5.995 45 76 LYS N 86.73 10.72 46 79 GLU N 80.35 8.657 47 81 SER N 87.74 7.202 48 82 VAL N 85.97 1.565 49 84 TYR N 95.94 1.988 50 85 ASP N 66.01 8.143 51 86 GLY N 91.84 1.184 52 88 ASN N 87.07 7.964 53 89 THR N 87.78 6.255 54 91 THR N 82.47 7.109 55 92 ILE N 84.33 1.792 56 94 LYS N 76.58 9.164 57 96 ASP N 82.81 10.18 58 97 TYR N 85.42 9.169 59 100 PHE N 78.51 2.422 60 101 LEU N 84.16 3.218 61 103 ALA N 85.83 8.363 62 104 HIS N 85.98 5.307 63 105 LEU N 75.67 7.565 64 106 ILE N 85.58 15.75 65 107 ASN N 91.86 10.87 66 111 GLY N 88.46 6.301 67 113 THR N 86.55 1.573 68 114 PHE N 85.54 4.684 69 115 GLN N 92.45 2.742 70 116 LEU N 84.33 13.15 71 117 MET N 82.78 11.73 72 118 GLY N 81.90 2.164 73 119 LEU N 81.52 7.301 74 120 TYR N 85.52 10.86 75 121 GLY N 77.84 3.063 76 123 GLU N 89.41 2.740 77 125 ASP N 81.72 0.977 78 126 LEU N 88.62 2.205 79 127 SER N 96.01 4.398 80 128 SER N 46.07 1.100 81 129 ASP N 94.92 6.918 82 130 ILE N 88.92 1.797 83 131 LYS N 84.33 0.897 84 133 ARG N 86.18 6.259 85 134 PHE N 87.03 14.62 86 135 ALA N 86.19 1.722 87 136 GLN N 96.67 6.620 88 137 LEU N 86.93 4.605 89 138 CYS N 79.56 0.450 90 140 LYS N 82.78 1.454 91 141 HIS N 95.85 1.724 92 142 GLY N 84.29 2.615 93 143 ILE N 47.52 4.698 94 144 LEU N 99.95 4.852 95 145 ARG N 85.92 1.431 96 146 GLU N 87.00 9.696 97 148 ILE N 89.86 1.930 98 151 LEU N 80.56 8.671 99 158 LEU N 88.48 8.251 100 162 GLU N 167.2 10.84 stop_ save_ save_298_600_free_noe _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $298K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 3 ALA 0.83 0.01 2 4 SER 0.70 0.01 3 11 ASN 0.75 0.01 4 12 VAL 0.78 0.01 5 13 GLU 0.81 0.01 6 16 ASN 0.83 0.01 7 17 GLY 0.77 0.02 8 18 GLU 0.75 0.07 9 19 TRP 0.81 0.01 10 20 HIS 0.78 0.01 11 22 ILE 0.83 0.07 12 23 ILE 0.82 0.01 13 24 LEU 0.77 0.01 14 26 SER 0.80 0.02 15 27 ASP 0.77 0.01 16 28 LYS 0.72 0.01 17 30 GLU 0.78 0.01 18 31 LYS 0.81 0.02 19 32 ILE 0.81 0.02 20 33 GLU 0.79 0.01 21 36 GLY 0.78 0.02 22 37 ASN 0.69 0.05 23 38 PHE 0.83 0.01 24 39 ARG 0.87 0.02 25 40 LEU 0.85 0.05 26 41 PHE 0.74 0.03 27 48 LEU 0.79 0.01 28 51 SER 0.74 0.01 29 53 VAL 0.79 0.03 30 54 LEU 0.81 0.03 31 55 LYS 0.78 0.01 32 57 HIS 0.74 0.01 33 58 THR 0.80 0.08 34 60 ARG 0.72 0.01 35 62 GLU 0.71 0.01 36 64 CYS 0.79 0.01 37 66 GLU 0.67 0.02 38 68 SER 0.71 0.01 39 69 MET 0.75 0.04 40 70 VAL 0.71 0.02 41 71 ALA 0.79 0.02 42 72 ASP 0.75 0.04 43 74 THR 0.74 0.02 44 75 GLU 0.71 0.03 45 76 LYS 0.72 0.01 46 79 GLU 0.77 0.01 47 81 SER 0.78 0.03 48 82 VAL 0.79 0.01 49 84 TYR 0.76 0.04 50 85 ASP 0.76 0.01 51 86 GLY 0.83 0.01 52 88 ASN 0.76 0.01 53 89 THR 0.78 0.03 54 91 THR 0.74 0.07 55 92 ILE 0.78 0.01 56 94 LYS 0.79 0.01 57 96 ASP 0.82 0.03 58 97 TYR 0.85 0.05 59 100 PHE 0.81 0.04 60 101 LEU 0.83 0.03 61 103 ALA 0.83 0.05 62 104 HIS 0.76 0.03 63 105 LEU 0.84 0.04 64 106 ILE 0.82 0.02 65 107 ASN 0.80 0.02 66 111 GLY 0.71 0.04 67 113 THR 0.78 0.01 68 114 PHE 0.77 0.01 69 115 GLN 0.82 0.02 70 116 LEU 0.78 0.03 71 117 MET 0.83 0.03 72 118 GLY 0.82 0.01 73 119 LEU 0.77 0.02 74 120 TYR 0.83 0.02 75 121 GLY 0.82 0.01 76 123 GLU 0.75 0.01 77 125 ASP 0.77 0.01 78 126 LEU 0.82 0.01 79 127 SER 0.79 0.01 80 128 SER 0.78 0.02 81 129 ASP 0.72 0.01 82 130 ILE 0.80 0.01 83 131 LYS 0.78 0.03 84 133 ARG 0.80 0.01 85 134 PHE 0.83 0.01 86 135 ALA 0.82 0.01 87 136 GLN 0.81 0.01 88 137 LEU 0.79 0.01 89 138 CYS 0.76 0.01 90 140 LYS 0.81 0.01 91 141 HIS 0.77 0.01 92 142 GLY 0.77 0.01 93 143 ILE 0.80 0.01 94 144 LEU 0.67 0.02 95 145 ARG 0.73 0.01 96 146 GLU 0.80 0.01 97 148 ILE 0.82 0.01 98 151 LEU 0.79 0.01 99 158 LEU 0.79 0.01 100 162 GLU 0.02 0.01 stop_ save_ save_303_600_free_t1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $303K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T1_coherence_type Nz _T1_value_units ms loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 693.16 15.60 2 4 SER N 626.41 41.09 3 6 THR N 572.46 33.45 4 11 ASN N 636.37 19.08 5 12 VAL N 734.34 5.511 6 13 GLU N 689.13 8.133 7 16 ASN N 708.41 8.800 8 17 GLY N 706.99 13.62 9 19 TRP N 696.41 8.728 10 20 HIS N 724.85 15.99 11 21 THR N 631.23 23.39 12 22 ILE N 693.06 4.859 13 23 ILE N 710.53 10.67 14 24 LEU N 704.78 8.992 15 26 SER N 701.72 12.22 16 27 ASP N 653.87 13.38 17 28 LYS N 760.60 11.51 18 30 GLU N 586.56 9.525 19 31 LYS N 650.87 6.777 20 32 ILE N 639.04 5.560 21 33 GLU N 650.32 10.64 22 35 ASN N 707.41 14.79 23 36 GLY N 628.19 3.859 24 38 PHE N 631.38 6.642 25 39 ARG N 664.39 7.511 26 40 LEU N 710.90 9.957 27 42 LEU N 701.77 8.900 28 46 HIS N 711.37 7.089 29 48 LEU N 693.20 10.85 30 51 SER N 608.07 6.784 31 52 LEU N 701.95 12.98 32 53 VAL N 745.17 11.89 33 54 LEU N 717.70 5.001 34 55 LYS N 693.21 11.08 35 57 HIS N 662.92 12.74 36 58 THR N 665.44 6.330 37 60 ARG N 720.52 4.747 38 62 GLU N 642.69 7.138 39 64 CYS N 678.44 11.10 40 67 LEU N 674.75 8.381 41 68 SER N 673.68 14.94 42 69 MET N 732.87 8.362 43 70 VAL N 651.95 25.00 44 71 ALA N 702.74 13.04 45 72 ASP N 723.77 11.66 46 74 THR N 652.93 8.470 47 76 LYS N 702.56 7.116 48 77 ALA N 733.56 33.59 49 79 GLU N 625.58 7.597 50 81 SER N 704.73 9.472 51 84 TYR N 741.87 6.212 52 86 GLY N 683.81 4.781 53 88 ASN N 733.62 9.969 54 89 THR N 681.94 11.99 55 92 ILE N 707.91 7.377 56 94 LYS N 698.04 10.19 57 95 THR N 716.00 8.562 58 96 ASP N 716.21 10.51 59 97 TYR N 673.24 9.319 60 98 ASP N 771.47 16.05 61 99 ASN N 731.53 5.300 62 101 LEU N 723.75 8.378 63 102 MET N 736.05 12.52 64 103 ALA N 743.35 11.43 65 104 HIS N 715.56 6.722 66 105 LEU N 710.57 12.86 67 106 ILE N 750.07 14.37 68 107 ASN N 673.99 8.740 69 108 GLU N 700.36 12.57 70 110 ASP N 744.22 11.16 71 111 GLY N 624.45 25.17 72 113 THR N 660.39 13.24 73 114 PHE N 702.85 5.705 74 115 GLN N 687.02 13.84 75 116 LEU N 720.69 11.74 76 117 MET N 734.83 13.66 77 118 GLY N 733.56 5.058 78 119 LEU N 775.64 21.80 79 120 TYR N 735.00 14.50 80 121 GLY N 714.40 12.04 81 123 GLU N 729.45 6.006 82 125 ASP N 687.20 8.610 83 126 LEU N 717.66 10.81 84 127 SER N 657.59 19.01 85 128 SER N 620.60 9.998 86 129 ASP N 787.13 5.809 87 130 ILE N 651.85 6.650 88 131 LYS N 672.06 7.273 89 133 ARG N 696.57 3.732 90 135 ALA N 647.70 8.966 91 136 GLN N 677.39 9.179 92 137 LEU N 697.81 12.97 93 138 CYS N 669.76 8.708 94 140 LYS N 697.30 10.09 95 141 HIS N 714.96 13.68 96 142 GLY N 674.15 9.983 97 143 ILE N 708.38 5.978 98 144 LEU N 737.35 12.70 99 145 ARG N 702.88 8.019 100 146 GLU N 643.91 22.75 101 148 ILE N 688.03 8.541 102 151 LEU N 748.67 10.82 103 152 SER N 730.77 13.45 104 153 ASN N 618.03 12.30 105 157 CYS N 696.53 9.016 106 158 LEU N 704.14 16.25 107 162 GLU N 724.13 7.893 stop_ save_ save_303_600_free_t2 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $303K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T2_coherence_type Nx _T2_value_units ms loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 3 ALA N 101.63 26.37 2 4 SER N 90.766 4.860 3 6 THR N 57.922 9.047 4 11 ASN N 79.793 5.713 5 12 VAL N 125.76 31.27 6 13 GLU N 82.983 14.07 7 16 ASN N 65.978 10.84 8 17 GLY N 111.45 25.54 9 19 TRP N 207.89 170.7 10 20 HIS N 79.735 8.062 11 21 THR N 123.56 8.293 12 22 ILE N 113.36 39.98 13 23 ILE N 96.673 4.246 14 24 LEU N 134.99 55.45 15 26 SER N 89.209 7.389 16 27 ASP N 73.158 15.49 17 28 LYS N 84.997 3.163 18 30 GLU N 124.25 27.92 19 31 LYS N 89.994 1.650 20 32 ILE N 84.138 9.806 21 33 GLU N 67.689 25.20 22 35 ASN N 82.698 1.885 23 36 GLY N 113.62 11.57 24 38 PHE N 79.736 12.97 25 39 ARG N 69.000 7.024 26 40 LEU N 75.694 13.81 27 42 LEU N 102.08 49.29 28 46 HIS N 89.038 18.66 29 48 LEU N 99.530 0.638 30 51 SER N 92.603 18.81 31 52 LEU N 133.04 59.09 32 53 VAL N 122.93 34.13 33 54 LEU N 123.84 31.51 34 55 LYS N 145.68 16.45 35 57 HIS N 61.621 8.167 36 58 THR N 68.611 1.612 37 60 ARG N 87.470 12.31 38 62 GLU N 59.393 1.687 39 64 CYS N 109.83 24.95 40 67 LEU N 73.930 23.03 41 68 SER N 113.05 5.320 42 69 MET N 75.933 11.87 43 70 VAL N 86.058 14.46 44 71 ALA N 101.21 16.88 45 72 ASP N 115.68 15.26 46 74 THR N 87.080 12.27 47 76 LYS N 90.141 5.431 48 77 ALA N 53.769 12.11 49 79 GLU N 72.919 19.57 50 81 SER N 81.661 13.02 51 84 TYR N 143.28 34.70 52 86 GLY N 120.39 15.42 53 88 ASN N 82.939 11.88 54 89 THR N 86.436 37.51 55 92 ILE N 86.879 23.38 56 94 LYS N 75.273 11.78 57 95 THR N 80.246 2.004 58 96 ASP N 83.202 1.647 59 97 TYR N 81.761 9.105 60 98 ASP N 84.353 5.867 61 99 ASN N 73.643 13.20 62 101 LEU N 90.056 7.559 63 102 MET N 100.71 12.31 64 103 ALA N 99.742 17.63 65 104 HIS N 99.578 10.92 66 105 LEU N 94.324 9.658 67 106 ILE N 85.969 0.910 68 107 ASN N 90.325 1.107 69 108 GLU N 115.22 38.67 70 110 ASP N 82.138 4.258 71 111 GLY N 85.615 13.26 72 113 THR N 129.42 12.55 73 114 PHE N 103.45 10.23 74 115 GLN N 88.073 8.285 75 116 LEU N 97.879 7.016 76 117 MET N 94.024 27.39 77 118 GLY N 94.137 4.776 78 119 LEU N 133.18 114.5 79 120 TYR N 84.357 7.284 80 121 GLY N 92.175 4.719 81 123 GLU N 152.03 36.69 82 125 ASP N 73.682 14.25 83 126 LEU N 111.81 15.47 84 127 SER N 94.590 2.010 85 128 SER N 70.445 0.780 86 129 ASP N 127.06 14.23 87 130 ILE N 90.651 4.584 88 131 LYS N 107.26 16.07 89 133 ARG N 84.059 11.44 90 135 ALA N 86.130 6.204 91 136 GLN N 95.560 1.320 92 137 LEU N 70.378 14.13 93 138 CYS N 71.777 24.40 94 140 LYS N 76.637 8.865 95 141 HIS N 74.267 16.33 96 142 GLY N 78.347 11.30 97 143 ILE N 52.205 13.77 98 144 LEU N 102.56 1.795 99 145 ARG N 96.932 2.235 100 146 GLU N 80.548 11.09 101 148 ILE N 83.946 14.36 102 151 LEU N 121.28 30.51 103 152 SER N 108.42 1.235 104 153 ASN N 86.194 10.32 105 157 CYS N 127.30 38.89 106 158 LEU N 146.02 60.30 107 162 GLU N 206.58 47.26 stop_ save_ save_303_600_free_noe _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $303K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 3 ALA 0.69 0.01 2 4 SER 0.66 0.02 3 6 THR 0.80 0.01 4 11 ASN 0.81 0.01 5 12 VAL 0.80 0.01 6 13 GLU 0.82 0.03 7 16 ASN 0.84 0.02 8 17 GLY 0.80 0.02 9 19 TRP 0.81 0.04 10 20 HIS 0.80 0.02 11 21 THR 0.84 0.07 12 22 ILE 0.80 0.01 13 23 ILE 0.83 0.01 14 24 LEU 0.82 0.01 15 26 SER 0.80 0.01 16 27 ASP 0.81 0.02 17 28 LYS 0.75 0.01 18 30 GLU 0.82 0.01 19 31 LYS 0.81 0.01 20 32 ILE 0.83 0.01 21 33 GLU 0.80 0.01 22 35 ASN 0.77 0.03 23 36 GLY 0.78 0.01 24 38 PHE 0.83 0.01 25 39 ARG 0.82 0.01 26 40 LEU 0.82 0.02 27 42 LEU 0.83 0.01 28 46 HIS 0.82 0.01 29 48 LEU 0.79 0.01 30 51 SER 0.75 0.01 31 52 LEU 0.76 0.02 32 53 VAL 0.79 0.02 33 54 LEU 0.81 0.01 34 55 LYS 0.80 0.01 35 57 HIS 0.77 0.02 36 58 THR 0.79 0.01 37 60 ARG 0.70 0.01 38 62 GLU 0.72 0.01 39 64 CYS 0.80 0.01 40 67 LEU 0.76 0.01 41 68 SER 0.74 0.01 42 69 MET 0.75 0.01 43 70 VAL 0.73 0.02 44 71 ALA 0.78 0.01 45 72 ASP 0.77 0.01 46 74 THR 0.71 0.01 47 76 LYS 0.77 0.01 48 77 ALA 0.70 0.03 49 79 GLU 0.78 0.01 50 81 SER 0.79 0.02 51 84 TYR 0.77 0.01 52 86 GLY 0.80 0.01 53 88 ASN 0.79 0.01 54 89 THR 0.84 0.01 55 92 ILE 0.79 0.02 56 94 LYS 0.79 0.02 57 95 THR 0.82 0.01 58 96 ASP 0.81 0.02 59 97 TYR 0.81 0.02 60 98 ASP 0.78 0.01 61 99 ASN 0.79 0.01 62 101 LEU 0.84 0.01 63 102 MET 0.84 0.02 64 103 ALA 0.81 0.01 65 104 HIS 0.81 0.01 66 105 LEU 0.81 0.01 67 106 ILE 0.81 0.01 68 107 ASN 0.82 0.02 69 108 GLU 0.82 0.01 70 110 ASP 0.81 0.01 71 111 GLY 0.74 0.01 72 113 THR 0.76 0.01 73 114 PHE 0.81 0.01 74 115 GLN 0.81 0.01 75 116 LEU 0.79 0.01 76 117 MET 0.83 0.01 77 118 GLY 0.80 0.01 78 119 LEU 0.81 0.02 79 120 TYR 0.83 0.01 80 121 GLY 0.82 0.02 81 123 GLU 0.79 0.01 82 125 ASP 0.76 0.01 83 126 LEU 0.78 0.01 84 127 SER 0.78 0.01 85 128 SER 0.80 0.02 86 129 ASP 0.72 0.02 87 130 ILE 0.79 0.01 88 131 LYS 0.80 0.03 89 133 ARG 0.82 0.02 90 135 ALA 0.82 0.01 91 136 GLN 0.82 0.01 92 137 LEU 0.81 0.02 93 138 CYS 0.84 0.01 94 140 LYS 0.80 0.01 95 141 HIS 0.79 0.01 96 142 GLY 0.79 0.01 97 143 ILE 0.80 0.03 98 144 LEU 0.69 0.01 99 145 ARG 0.73 0.01 100 146 GLU 0.79 0.01 101 148 ILE 0.81 0.01 102 151 LEU 0.78 0.01 103 152 SER 0.78 0.01 104 153 ASN 0.79 0.01 105 157 CYS 0.77 0.02 106 158 LEU 0.78 0.01 107 162 GLU -0.09 0.01 stop_ save_ save_308_600_free_t1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $308K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T1_coherence_type Nz _T1_value_units ms loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 SER N 552.20 34.06 2 13 GLU N 631.74 2.738 3 16 ASN N 631.40 12.54 4 17 GLY N 636.25 5.679 5 19 TRP N 617.86 11.95 6 22 ILE N 620.38 15.04 7 23 ILE N 654.20 5.380 8 26 SER N 657.86 6.680 9 30 GLU N 531.74 24.25 10 31 LYS N 602.49 6.573 11 32 ILE N 604.25 4.094 12 33 GLU N 612.20 23.86 13 36 GLY N 562.89 8.659 14 38 PHE N 587.17 14.64 15 39 ARG N 594.73 13.39 16 40 LEU N 652.35 14.56 17 48 LEU N 647.13 4.022 18 51 SER N 539.86 17.36 19 53 VAL N 665.19 3.095 20 54 LEU N 637.25 14.75 21 57 HIS N 655.29 12.64 22 60 ARG N 576.43 22.80 23 68 SER N 567.41 32.79 24 69 MET N 663.33 21.72 25 71 ALA N 646.56 9.557 26 74 THR N 543.97 31.12 27 79 GLU N 552.79 13.52 28 81 SER N 606.03 7.765 29 86 GLY N 599.62 19.56 30 89 THR N 647.57 8.290 31 92 ILE N 632.77 10.86 32 94 LYS N 640.85 4.608 33 96 ASP N 642.56 5.491 34 100 PHE N 685.38 21.29 35 101 LEU N 664.76 8.433 36 103 ALA N 687.78 9.088 37 105 LEU N 645.20 12.88 38 107 ASN N 608.87 11.56 39 111 GLY N 567.71 41.93 40 115 GLN N 627.71 7.097 41 116 LEU N 646.29 6.840 42 117 MET N 668.43 8.982 43 118 GLY N 658.04 20.02 44 120 TYR N 658.24 11.38 45 121 GLY N 632.90 25.80 46 123 GLU N 538.07 35.47 47 125 ASP N 636.08 17.74 48 126 LEU N 644.99 20.80 49 127 SER N 593.21 34.71 50 130 ILE N 575.07 10.72 51 133 ARG N 629.27 17.04 52 136 GLN N 639.00 3.991 53 137 LEU N 641.37 6.181 54 138 CYS N 643.60 12.51 55 140 LYS N 634.60 7.735 56 141 HIS N 670.61 4.806 57 142 GLY N 565.94 21.62 58 144 LEU N 681.82 4.879 59 145 ARG N 596.62 17.93 60 148 ILE N 641.37 7.472 61 151 LEU N 651.38 18.40 62 162 GLU N 693.89 12.36 stop_ save_ save_308_600_free_t2 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $308K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _T2_coherence_type Nx _T2_value_units ms loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 4 SER N 75.944 2.8329 2 13 GLU N 106.30 15.457 3 16 ASN N 95.811 11.188 4 17 GLY N 105.73 18.732 5 19 TRP N 88.167 6.4078 6 22 ILE N 103.67 55.724 7 23 ILE N 118.77 28.764 8 26 SER N 107.95 5.1194 9 30 GLU N 118.02 25.413 10 31 LYS N 115.30 9.5864 11 32 ILE N 98.230 10.438 12 33 GLU N 107.77 4.2588 13 36 GLY N 128.32 2.7442 14 38 PHE N 120.94 8.2316 15 39 ARG N 105.54 9.2320 16 40 LEU N 95.179 0.5698 17 48 LEU N 123.47 9.4873 18 51 SER N 127.15 12.015 19 53 VAL N 110.28 13.006 20 54 LEU N 121.63 32.248 21 57 HIS N 99.448 7.0386 22 60 ARG N 121.12 14.923 23 68 SER N 109.56 9.2759 24 69 MET N 110.37 10.975 25 71 ALA N 118.21 34.552 26 74 THR N 129.34 4.5130 27 79 GLU N 96.361 9.7179 28 81 SER N 111.03 15.715 29 86 GLY N 123.24 5.5255 30 89 THR N 135.60 32.450 31 92 ILE N 120.88 16.393 32 94 LYS N 123.66 1.8017 33 96 ASP N 114.82 38.664 34 100 PHE N 104.33 6.4539 35 101 LEU N 107.34 15.942 36 103 ALA N 101.50 10.292 37 105 LEU N 109.31 11.536 38 107 ASN N 101.99 22.689 39 111 GLY N 101.50 36.335 40 115 GLN N 120.55 9.1358 41 116 LEU N 113.35 16.138 42 117 MET N 103.69 16.395 43 118 GLY N 106.39 10.220 44 120 TYR N 103.96 11.993 45 121 GLY N 99.360 20.447 46 123 GLU N 149.99 63.296 47 125 ASP N 114.54 13.063 48 126 LEU N 117.78 2.9383 49 127 SER N 135.93 36.179 50 130 ILE N 114.13 1.1364 51 133 ARG N 106.25 2.4714 52 136 GLN N 114.63 2.0916 53 137 LEU N 107.81 0.3047 54 138 CYS N 99.364 10.366 55 140 LYS N 115.18 17.209 56 141 HIS N 118.15 8.5114 57 142 GLY N 118.33 4.2032 58 144 LEU N 130.34 19.772 59 145 ARG N 116.52 0.6799 60 148 ILE N 118.78 13.743 61 151 LEU N 109.13 1.4599 62 162 GLU N 250.55 46.403 stop_ save_ save_308_600_free_noe _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $308K _Spectrometer_frequency_1H 600 _Mol_system_component_name "MUP-I" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 4 SER 0.63 0.04 2 13 GLU 0.75 0.01 3 16 ASN 0.75 0.02 4 17 GLY 0.78 0.01 5 19 TRP 0.82 0.02 6 22 ILE 0.74 0.04 7 23 ILE 0.76 0.02 8 26 SER 0.76 0.02 9 30 GLU 0.74 0.01 10 31 LYS 0.76 0.00 11 32 ILE 0.77 0.02 12 33 GLU 0.73 0.03 13 36 GLY 0.73 0.02 14 38 PHE 0.75 0.02 15 39 ARG 0.77 0.02 16 40 LEU 0.72 0.02 17 48 LEU 0.74 0.02 18 51 SER 0.67 0.03 19 53 VAL 0.74 0.02 20 54 LEU 0.76 0.00 21 57 HIS 0.74 0.05 22 60 ARG 0.63 0.02 23 68 SER 0.68 0.01 24 69 MET 0.69 0.05 25 71 ALA 0.71 0.01 26 74 THR 0.65 0.03 27 79 GLU 0.74 0.02 28 81 SER 0.75 0.03 29 86 GLY 0.75 0.02 30 89 THR 0.78 0.01 31 92 ILE 0.72 0.01 32 94 LYS 0.75 0.01 33 96 ASP 0.75 0.01 34 100 PHE 0.77 0.01 35 101 LEU 0.77 0.02 36 103 ALA 0.75 0.05 37 105 LEU 0.77 0.02 38 107 ASN 0.77 0.05 39 111 GLY 0.67 0.03 40 115 GLN 0.77 0.01 41 116 LEU 0.72 0.03 42 117 MET 0.73 0.01 43 118 GLY 0.78 0.03 44 120 TYR 0.76 0.00 45 121 GLY 0.75 0.01 46 123 GLU 0.71 0.01 47 125 ASP 0.68 0.01 48 126 LEU 0.68 0.03 49 127 SER 0.70 0.02 50 130 ILE 0.75 0.01 51 133 ARG 0.76 0.01 52 136 GLN 0.76 0.02 53 137 LEU 0.73 0.01 54 138 CYS 0.75 0.03 55 140 LYS 0.75 0.03 56 141 HIS 0.74 0.03 57 142 GLY 0.74 0.01 58 144 LEU 0.67 0.03 59 145 ARG 0.69 0.02 60 148 ILE 0.75 0.03 61 151 LEU 0.73 0.01 62 162 GLU -0.08 0.01 stop_ save_ save_291_500_free_t1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $291K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _T1_coherence_type Nz _T1_value_units ms loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 SER N 811.85 54.57 2 6 THR N 767.55 67.60 3 7 GLY N 821.77 56.27 4 11 ASN N 942.45 63.18 5 12 VAL N 831.62 25.49 6 13 GLU N 745.23 27.16 7 15 ILE N 729.62 28.18 8 16 ASN N 744.16 13.63 9 17 GLY N 711.84 41.38 10 22 ILE N 822.83 79.08 11 23 ILE N 723.82 38.98 12 26 SER N 738.63 8.208 13 27 ASP N 804.05 50.74 14 30 GLU N 712.60 14.09 15 31 LYS N 712.19 42.29 16 32 ILE N 704.44 22.03 17 33 GLU N 766.72 16.48 18 36 GLY N 805.59 38.74 19 37 ASN N 716.76 69.80 20 39 ARG N 755.61 25.32 21 40 LEU N 829.17 51.40 22 47 VAL N 739.21 13.56 23 48 LEU N 733.25 30.34 24 51 SER N 767.89 23.36 25 53 VAL N 772.55 11.47 26 54 LEU N 743.76 18.61 27 55 LYS N 762.62 23.86 28 60 ARG N 745.68 16.33 29 64 CYS N 869.85 116.1 30 67 LEU N 762.26 32.42 31 68 SER N 803.23 26.80 32 69 MET N 781.20 21.51 33 71 ALA N 734.25 26.22 34 72 ASP N 788.51 19.89 35 74 THR N 692.82 30.35 36 76 LYS N 827.63 24.59 37 77 ALA N 1149.5 218.1 38 79 GLU N 781.00 31.94 39 80 TYR N 752.85 65.51 40 81 SER N 714.54 20.43 41 86 GLY N 783.62 20.06 42 88 ASN N 759.11 17.56 43 89 THR N 712.96 28.72 44 91 THR N 630.74 93.85 45 92 ILE N 925.06 76.43 46 94 LYS N 765.60 23.15 47 96 ASP N 736.94 36.81 48 97 TYR N 711.25 25.78 49 98 ASP N 751.13 57.83 50 100 PHE N 804.66 31.37 51 101 LEU N 804.96 31.38 52 102 MET N 798.00 31.32 53 103 ALA N 701.67 30.53 54 104 HIS N 709.43 12.63 55 105 LEU N 704.09 50.48 56 107 ASN N 736.72 32.40 57 108 GLU N 735.05 24.54 58 111 GLY N 891.03 42.36 59 113 THR N 772.34 16.07 60 115 GLN N 778.00 12.14 61 116 LEU N 767.50 32.72 62 117 MET N 766.55 36.88 63 118 GLY N 761.97 19.09 64 121 GLY N 775.78 37.22 65 123 GLU N 723.26 47.33 66 125 ASP N 756.32 25.58 67 126 LEU N 823.30 28.05 68 127 SER N 760.24 28.41 69 129 ASP N 806.87 32.86 70 130 ILE N 779.06 22.47 71 131 LYS N 746.78 29.04 72 133 ARG N 721.75 16.69 73 136 GLN N 730.24 11.91 74 137 LEU N 737.33 15.03 75 138 CYS N 684.57 21.96 76 140 LYS N 725.02 13.25 77 141 HIS N 749.84 23.90 78 142 GLY N 725.01 16.32 79 144 LEU N 746.46 12.53 80 145 ARG N 733.20 15.75 81 148 ILE N 771.80 12.21 82 151 LEU N 802.69 47.95 83 153 ASN N 794.19 23.94 84 158 LEU N 745.11 36.55 stop_ save_ save_291_500_free_t2 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $291K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _T2_coherence_type Nx _T2_value_units ms loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 4 SER N 81.61 5.66 2 6 THR N 64.49 3.54 3 7 GLY N 79.78 3.99 4 11 ASN N 77.08 3.44 5 12 VAL N 74.47 4.27 6 13 GLU N 67.26 4.98 7 15 ILE N 76.07 4.40 8 16 ASN N 66.50 1.50 9 17 GLY N 77.19 5.73 10 22 ILE N 59.48 2.89 11 23 ILE N 72.48 2.77 12 26 SER N 77.43 4.37 13 27 ASP N 60.89 3.50 14 30 GLU N 77.30 2.30 15 31 LYS N 70.73 4.33 16 32 ILE N 80.48 8.05 17 33 GLU N 78.73 4.48 18 36 GLY N 80.64 5.51 19 37 ASN N 64.00 6.57 20 39 ARG N 78.38 2.08 21 40 LEU N 61.62 6.47 22 47 VAL N 80.08 1.80 23 48 LEU N 77.27 4.86 24 51 SER N 84.34 3.46 25 53 VAL N 70.42 3.58 26 54 LEU N 75.35 4.83 27 55 LYS N 73.64 3.89 28 60 ARG N 81.60 2.68 29 64 CYS N 60.26 2.66 30 67 LEU N 74.53 2.76 31 68 SER N 74.68 2.19 32 69 MET N 73.81 6.10 33 71 ALA N 77.80 5.16 34 72 ASP N 74.16 4.08 35 74 THR N 82.89 6.82 36 76 LYS N 73.96 3.35 37 77 ALA N 86.25 7.30 38 79 GLU N 75.51 3.30 39 80 TYR N 75.59 6.26 40 81 SER N 79.55 3.85 41 86 GLY N 77.90 3.75 42 88 ASN N 75.12 2.78 43 89 THR N 64.09 7.83 44 91 THR N 70.62 11.0 45 92 ILE N 70.44 5.89 46 94 LYS N 69.50 5.01 47 96 ASP N 81.23 5.82 48 97 TYR N 72.21 6.38 49 98 ASP N 64.85 5.16 50 100 PHE N 63.03 2.88 51 101 LEU N 70.02 4.27 52 102 MET N 71.75 3.94 53 103 ALA N 72.61 2.85 54 104 HIS N 76.75 5.84 55 105 LEU N 68.88 5.25 56 107 ASN N 70.30 2.80 57 108 GLU N 77.65 2.21 58 111 GLY N 84.46 7.28 59 113 THR N 80.88 6.56 60 115 GLN N 70.72 1.72 61 116 LEU N 82.67 3.48 62 117 MET N 73.03 5.03 63 118 GLY N 67.57 4.21 64 121 GLY N 70.52 6.09 65 123 GLU N 67.17 5.35 66 125 ASP N 68.84 2.91 67 126 LEU N 76.53 1.26 68 127 SER N 78.27 1.89 69 129 ASP N 77.14 3.35 70 130 ILE N 76.62 4.05 71 131 LYS N 75.25 5.01 72 133 ARG N 71.88 3.66 73 136 GLN N 76.33 2.86 74 137 LEU N 74.79 3.17 75 138 CYS N 70.59 1.96 76 140 LYS N 74.39 3.57 77 141 HIS N 77.54 3.89 78 142 GLY N 80.80 5.79 79 144 LEU N 77.79 3.19 80 145 ARG N 76.81 3.51 81 148 ILE N 74.28 2.52 82 151 LEU N 68.00 5.04 83 153 ASN N 79.52 5.27 84 158 LEU N 76.58 2.21 stop_ save_ save_291_500_free_noe _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $291K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 4 SER 0.66 0.02 2 6 THR 0.71 0.02 3 7 GLY 0.62 0.02 4 11 ASN 0.73 0.02 5 12 VAL 0.69 0.04 6 13 GLU 0.66 0.03 7 15 ILE 0.73 0.03 8 16 ASN 0.75 0.02 9 17 GLY 0.75 0.04 10 22 ILE 0.63 0.00 11 23 ILE 0.75 0.02 12 26 SER 0.72 0.02 13 27 ASP 0.70 0.02 14 30 GLU 0.70 0.04 15 31 LYS 0.73 0.02 16 32 ILE 0.79 0.02 17 33 GLU 0.74 0.02 18 36 GLY 0.75 0.05 19 37 ASN 0.71 0.02 20 39 ARG 0.69 0.04 21 40 LEU 0.76 0.03 22 47 VAL 0.69 0.03 23 48 LEU 0.72 0.03 24 51 SER 0.66 0.02 25 53 VAL 0.68 0.04 26 54 LEU 0.74 0.04 27 55 LYS 0.76 0.04 28 60 ARG 0.65 0.03 29 64 CYS 0.59 0.04 30 67 LEU 0.69 0.04 31 68 SER 0.67 0.03 32 69 MET 0.68 0.03 33 71 ALA 0.69 0.03 34 72 ASP 0.74 0.04 35 74 THR 0.65 0.04 36 76 LYS 0.64 0.02 37 77 ALA 0.62 0.04 38 79 GLU 0.71 0.02 39 80 TYR 0.66 0.02 40 81 SER 0.78 0.02 41 86 GLY 0.72 0.02 42 88 ASN 0.76 0.04 43 89 THR 0.79 0.02 44 91 THR 0.70 0.02 45 92 ILE 0.72 0.02 46 94 LYS 0.01 0.02 47 96 ASP 0.75 0.03 48 97 TYR 0.82 0.03 49 98 ASP 0.69 0.03 50 100 PHE 0.81 0.02 51 101 LEU 0.78 0.03 52 102 MET 0.73 0.02 53 103 ALA 0.74 0.02 54 104 HIS 0.78 0.03 55 105 LEU 0.71 0.02 56 107 ASN 0.75 0.03 57 108 GLU 0.75 0.02 58 111 GLY 0.69 0.02 59 113 THR 0.70 0.02 60 115 GLN 0.64 0.02 61 116 LEU 0.74 0.02 62 117 MET 0.79 0.03 63 118 GLY 0.80 0.03 64 121 GLY 0.74 0.02 65 123 GLU 0.69 0.03 66 125 ASP 0.69 0.02 67 126 LEU 0.74 0.03 68 127 SER 0.70 0.03 69 129 ASP 0.76 0.03 70 130 ILE 0.72 0.03 71 131 LYS 0.75 0.03 72 133 ARG 0.69 0.03 73 136 GLN 0.77 0.03 74 137 LEU 0.72 0.05 75 138 CYS 0.72 0.02 76 140 LYS 0.77 0.03 77 141 HIS 0.71 0.02 78 142 GLY 0.67 0.02 79 144 LEU 0.65 0.03 80 145 ARG 0.63 0.03 81 148 ILE 0.72 0.01 82 151 LEU 0.64 0.02 83 153 ASN 0.73 0.02 84 158 LEU 0.70 0.02 stop_ save_ save_297_500_free_t1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $297K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _T1_coherence_type Nz _T1_value_units ms loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 701.34 48.16 2 4 SER N 699.79 46.31 3 6 THR N 505.28 40.61 4 7 GLY N 714.30 30.04 5 11 ASN N 713.42 85.43 6 12 VAL N 678.17 11.23 7 13 GLU N 657.10 11.03 8 15 ILE N 654.09 10.60 9 16 ASN N 663.11 13.27 10 17 GLY N 620.52 25.73 11 21 THR N 709.89 126.8 12 22 ILE N 614.52 31.71 13 23 ILE N 703.28 16.45 14 26 SER N 653.68 29.57 15 27 ASP N 684.60 11.51 16 30 GLU N 646.75 28.48 17 31 LYS N 639.58 20.43 18 32 ILE N 628.22 22.21 19 33 GLU N 683.55 14.05 20 36 GLY N 671.35 14.14 21 37 ASN N 673.92 13.40 22 39 ARG N 704.56 23.95 23 40 LEU N 730.90 38.04 24 42 LEU N 710.51 41.79 25 47 VAL N 652.07 18.00 26 48 LEU N 636.63 15.08 27 51 SER N 663.85 13.84 28 52 LEU N 702.15 27.67 29 54 LEU N 643.21 7.902 30 57 HIS N 707.31 40.80 31 60 ARG N 742.09 21.71 32 64 CYS N 651.68 15.93 33 65 SER N 671.60 14.72 34 66 GLU N 629.70 11.55 35 67 LEU N 671.21 22.49 36 68 SER N 702.22 16.11 37 69 MET N 659.47 10.76 38 71 ALA N 664.71 11.32 39 72 ASP N 686.23 27.01 40 74 THR N 700.49 20.05 41 77 ALA N 637.43 16.21 42 79 GLU N 679.25 21.81 43 80 TYR N 715.94 45.10 44 81 SER N 688.72 28.25 45 86 GLY N 658.17 18.83 46 88 ASN N 663.09 12.48 47 89 THR N 683.73 26.26 48 91 THR N 627.62 63.43 49 92 ILE N 702.46 59.55 50 94 LYS N 662.17 28.33 51 95 THR N 704.84 47.93 52 96 ASP N 648.59 21.70 53 97 TYR N 648.01 21.22 54 100 PHE N 668.51 34.68 55 101 LEU N 675.79 22.13 56 102 MET N 698.46 7.334 57 103 ALA N 640.72 35.23 58 104 HIS N 659.31 15.05 59 105 LEU N 617.96 27.45 60 107 ASN N 665.56 14.38 61 108 GLU N 679.22 40.87 62 111 GLY N 769.13 48.54 63 113 THR N 628.13 23.55 64 115 GLN N 639.30 16.20 65 116 LEU N 651.76 14.97 66 117 MET N 658.37 19.65 67 118 GLY N 674.46 21.46 68 121 GLY N 644.63 18.13 69 123 GLU N 691.78 29.06 70 125 ASP N 696.51 12.58 71 126 LEU N 730.02 18.06 72 127 SER N 721.90 29.37 73 129 ASP N 656.09 10.38 74 130 ILE N 668.40 11.23 75 131 LYS N 619.79 22.79 76 133 ARG N 633.45 19.29 77 136 GLN N 636.89 7.609 78 137 LEU N 630.09 12.33 79 138 CYS N 614.82 11.43 80 140 LYS N 637.57 4.869 81 141 HIS N 677.46 16.16 82 142 GLY N 637.73 15.04 83 144 LEU N 667.92 10.42 84 145 ARG N 651.78 11.77 85 148 ILE N 640.75 11.56 86 151 LEU N 676.15 25.90 87 152 SER N 644.90 9.480 88 153 ASN N 661.92 20.04 89 155 ASN N 643.03 16.10 stop_ save_ save_297_500_free_t2 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $297K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _T2_coherence_type Nx _T2_value_units ms loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 3 ALA N 93.19 7.28 2 4 SER N 86.77 4.27 3 6 THR N 82.18 14.2 4 7 GLY N 89.33 7.87 5 11 ASN N 88.16 7.28 6 12 VAL N 86.42 2.61 7 13 GLU N 73.51 1.16 8 15 ILE N 80.70 3.27 9 16 ASN N 68.57 1.93 10 17 GLY N 88.59 3.53 11 21 THR N 74.19 11.4 12 22 ILE N 78.33 3.64 13 23 ILE N 82.03 2.26 14 26 SER N 46.23 3.27 15 27 ASP N 91.43 4.28 16 30 GLU N 86.02 4.16 17 31 LYS N 78.73 3.52 18 32 ILE N 86.61 6.07 19 33 GLU N 85.28 3.29 20 36 GLY N 89.27 2.81 21 37 ASN N 84.40 4.39 22 39 ARG N 77.37 4.22 23 40 LEU N 56.19 3.42 24 42 LEU N 61.16 3.36 25 47 VAL N 87.86 3.43 26 48 LEU N 88.31 2.12 27 51 SER N 94.27 4.52 28 52 LEU N 83.87 3.67 29 54 LEU N 85.01 3.61 30 57 HIS N 75.36 6.40 31 60 ARG N 89.19 7.16 32 64 CYS N 85.71 3.54 33 65 SER N 92.98 4.00 34 66 GLU N 85.04 3.09 35 67 LEU N 81.31 2.86 36 68 SER N 83.20 3.23 37 69 MET N 82.86 3.64 38 71 ALA N 86.32 5.61 39 72 ASP N 77.63 3.99 40 74 THR N 93.57 4.04 41 77 ALA N 91.76 3.23 42 79 GLU N 80.89 3.85 43 80 TYR N 92.51 12.7 44 81 SER N 85.04 3.38 45 86 GLY N 82.29 3.39 46 88 ASN N 84.34 2.17 47 89 THR N 79.14 4.43 48 91 THR N 51.85 3.59 49 92 ILE N 74.87 4.47 50 94 LYS N 81.8 3.72 51 95 THR N 78.90 4.02 52 96 ASP N 73.01 0.14 53 97 TYR N 88.02 2.45 54 100 PHE N 63.84 3.49 55 101 LEU N 79.79 4.69 56 102 MET N 82.12 2.68 57 103 ALA N 77.07 1.02 58 104 HIS N 84.96 4.98 59 105 LEU N 73.10 3.60 60 107 ASN N 79.76 3.60 61 108 GLU N 58.54 3.06 62 111 GLY N 95.31 9.55 63 113 THR N 79.45 2.82 64 115 GLN N 84.27 3.30 65 116 LEU N 81.96 2.50 66 117 MET N 81.22 4.00 67 118 GLY N 83.06 3.15 68 121 GLY N 84.43 3.20 69 123 GLU N 81.97 4.29 70 125 ASP N 79.18 2.61 71 126 LEU N 85.89 3.32 72 127 SER N 91.48 3.58 73 129 ASP N 80.70 3.70 74 130 ILE N 84.37 3.44 75 131 LYS N 81.83 2.51 76 133 ARG N 84.14 2.90 77 136 GLN N 85.23 2.61 78 137 LEU N 85.25 3.09 79 138 CYS N 81.29 3.32 80 140 LYS N 83.43 2.87 81 141 HIS N 85.66 3.25 82 142 GLY N 90.41 2.92 83 144 LEU N 91.81 3.99 84 145 ARG N 88.81 2.57 85 148 ILE N 88.66 3.50 86 151 LEU N 81.23 6.13 87 152 SER N 84.18 3.20 88 153 ASN N 95.67 4.25 89 155 ASN N 72.05 1.46 stop_ save_ save_297_500_free_noe _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $297K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 3 ALA 0.62 0.02 2 4 SER 0.68 0.02 3 6 THR 0.72 0.02 4 7 GLY 0.62 0.02 5 11 ASN 0.72 0.02 6 12 VAL 0.74 0.04 7 13 GLU 0.72 0.03 8 15 ILE 0.75 0.03 9 16 ASN 0.77 0.02 10 17 GLY 0.78 0.04 11 21 THR 0.72 0.03 12 22 ILE 0.69 0.00 13 23 ILE 0.76 0.02 14 26 SER 0.75 0.02 15 27 ASP 0.71 0.02 16 30 GLU 0.72 0.04 17 31 LYS 0.71 0.02 18 32 ILE 0.78 0.02 19 33 GLU 0.76 0.02 20 36 GLY 0.74 0.05 21 37 ASN 0.71 0.02 22 39 ARG 0.78 0.04 23 40 LEU 0.77 0.03 24 42 LEU 0.74 0.07 25 47 VAL 0.71 0.03 26 48 LEU 0.72 0.03 27 51 SER 0.68 0.02 28 52 LEU 0.73 0.04 29 54 LEU 0.75 0.04 30 57 HIS 0.76 0.04 31 60 ARG 0.65 0.03 32 64 CYS 0.61 0.04 33 65 SER 0.73 0.05 34 66 GLU 0.68 0.03 35 67 LEU 0.71 0.04 36 68 SER 0.69 0.03 37 69 MET 0.72 0.03 38 71 ALA 0.72 0.03 39 72 ASP 0.76 0.04 40 74 THR 0.66 0.04 41 77 ALA 0.64 0.04 42 79 GLU 0.78 0.02 43 80 TYR 0.68 0.02 44 81 SER 0.75 0.02 45 86 GLY 0.74 0.02 46 88 ASN 0.77 0.04 47 89 THR 0.79 0.02 48 91 THR 0.72 0.02 49 92 ILE 0.74 0.02 50 94 LYS 0.75 0.02 51 95 THR 0.73 0.02 52 96 ASP 0.78 0.03 53 97 TYR 0.75 0.03 54 100 PHE 0.81 0.02 55 101 LEU 0.79 0.03 56 102 MET 0.75 0.02 57 103 ALA 0.76 0.02 58 104 HIS 0.67 0.03 59 105 LEU 0.74 0.02 60 107 ASN 0.73 0.03 61 108 GLU 0.75 0.02 62 111 GLY 0.67 0.02 63 113 THR 0.69 0.02 64 115 GLN 0.68 0.02 65 116 LEU 0.74 0.02 66 117 MET 0.78 0.03 67 118 GLY 0.82 0.03 68 121 GLY 0.76 0.02 69 123 GLU 0.70 0.03 70 125 ASP 0.71 0.02 71 126 LEU 0.72 0.03 72 127 SER 0.72 0.03 73 129 ASP 0.76 0.03 74 130 ILE 0.75 0.03 75 131 LYS 0.80 0.03 76 133 ARG 0.74 0.03 77 136 GLN 0.77 0.03 78 137 LEU 0.74 0.05 79 138 CYS 0.76 0.02 80 140 LYS 0.78 0.03 81 141 HIS 0.73 0.02 82 142 GLY 0.70 0.02 83 144 LEU 0.66 0.03 84 145 ARG 0.64 0.03 85 148 ILE 0.74 0.01 86 151 LEU 0.67 0.02 87 152 SER 0.68 0.02 88 153 ASN 0.72 0.02 89 155 ASN 0.69 0.02 stop_ save_ save_302_500_free_t1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $302K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _T1_coherence_type Nz _T1_value_units ms loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 606.66 38.51 2 4 SER N 676.35 59.52 3 11 ASN N 635.67 53.59 4 12 VAL N 573.52 18.40 5 13 GLU N 555.92 17.81 6 16 ASN N 571.02 10.76 7 17 GLY N 546.61 24.99 8 19 TRP N 610.35 16.67 9 20 HIS N 576.19 24.00 10 21 THR N 632.84 79.69 11 22 ILE N 572.39 26.95 12 23 ILE N 583.98 12.17 13 26 SER N 548.14 21.40 14 27 ASP N 615.39 5.014 15 30 GLU N 555.69 17.25 16 31 LYS N 534.41 16.46 17 32 ILE N 564.66 14.46 18 33 GLU N 579.61 12.38 19 35 ASN N 602.21 42.13 20 36 GLY N 572.15 13.72 21 37 ASN N 549.25 16.81 22 39 ARG N 600.14 21.73 23 40 LEU N 650.55 31.26 24 41 PHE N 632.12 54.40 25 42 LEU N 614.53 45.01 26 48 LEU N 557.55 8.453 27 51 SER N 592.96 13.20 28 52 LEU N 631.31 19.81 29 54 LEU N 577.83 13.35 30 57 HIS N 638.77 12.53 31 58 THR N 597.50 10.32 32 60 ARG N 577.59 19.30 33 64 CYS N 554.77 18.69 34 65 SER N 581.93 34.05 35 66 GLU N 554.96 21.31 36 68 SER N 631.03 34.58 37 69 MET N 620.06 8.210 38 70 VAL N 533.04 14.36 39 71 ALA N 537.02 26.70 40 72 ASP N 459.50 61.78 41 74 THR N 574.95 27.19 42 76 LYS N 619.86 12.38 43 77 ALA N 576.38 9.525 44 79 GLU N 576.27 18.86 45 81 SER N 549.86 22.53 46 86 GLY N 579.59 18.92 47 88 ASN N 591.05 3.924 48 89 THR N 593.22 13.58 49 92 ILE N 725.26 56.74 50 94 LYS N 570.47 15.22 51 96 ASP N 549.52 16.19 52 97 TYR N 535.26 18.80 53 99 ASN N 545.78 20.55 54 100 PHE N 586.02 13.53 55 101 LEU N 592.79 15.56 56 102 MET N 590.68 23.99 57 103 ALA N 531.04 21.81 58 104 HIS N 529.05 11.74 59 105 LEU N 569.66 18.82 60 106 ILE N 574.93 16.49 61 107 ASN N 538.01 18.56 62 111 GLY N 653.63 61.36 63 113 THR N 580.02 22.49 64 115 GLN N 556.98 8.826 65 116 LEU N 569.42 17.56 66 117 MET N 566.03 16.99 67 118 GLY N 567.12 11.22 68 120 TYR N 577.95 18.49 69 121 GLY N 581.25 13.07 70 123 GLU N 635.58 17.87 71 125 ASP N 603.42 5.533 72 126 LEU N 646.28 11.05 73 127 SER N 648.04 46.42 74 128 SER N 614.96 16.07 75 129 ASP N 567.66 4.495 76 130 ILE N 558.89 15.65 77 131 LYS N 560.12 26.28 78 133 ARG N 580.34 14.45 79 136 GLN N 547.55 10.55 80 137 LEU N 558.47 10.16 81 138 CYS N 566.91 8.943 82 140 LYS N 551.99 7.600 83 141 HIS N 588.38 8.594 84 142 GLY N 568.44 6.729 85 143 ILE N 685.55 40.55 86 144 LEU N 597.81 18.97 87 145 ARG N 587.37 12.71 88 148 ILE N 551.23 10.02 89 151 LEU N 608.44 20.65 90 153 ASN N 594.95 24.68 91 157 CYS N 549.95 19.70 stop_ save_ save_302_500_free_t2 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $302K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _T2_coherence_type Nx _T2_value_units ms loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 3 ALA N 99.22 4.66 2 4 SER N 98.25 6.56 3 11 ASN N 113.9 6.57 4 12 VAL N 94.84 4.84 5 13 GLU N 87.49 3.30 6 16 ASN N 84.76 3.29 7 17 GLY N 97.23 5.73 8 19 TRP N 75.38 2.94 9 20 HIS N 39.95 3.54 10 21 THR N 94.59 16.1 11 22 ILE N 102.1 4.64 12 23 ILE N 95.19 3.84 13 26 SER N 63.30 4.09 14 27 ASP N 98.38 5.91 15 30 GLU N 93.08 5.08 16 31 LYS N 88.20 3.80 17 32 ILE N 97.11 4.56 18 33 GLU N 99.13 4.53 19 35 ASN N 93.73 5.12 20 36 GLY N 100.1 5.26 21 37 ASN N 93.25 4.81 22 39 ARG N 89.86 4.81 23 40 LEU N 90.77 3.81 24 41 PHE N 68.31 1.70 25 42 LEU N 83.30 3.29 26 48 LEU N 96.35 2.87 27 51 SER N 104.1 5.53 28 52 LEU N 92.98 7.92 29 54 LEU N 95.67 3.06 30 57 HIS N 85.97 4.52 31 58 THR N 69.40 0.57 32 60 ARG N 96.82 4.96 33 64 CYS N 97.37 3.80 34 65 SER N 105.3 5.72 35 66 GLU N 81.65 6.12 36 68 SER N 102.9 3.17 37 69 MET N 92.22 3.99 38 70 VAL N 92.52 1.96 39 71 ALA N 98.89 5.42 40 72 ASP N 83.21 5.88 41 74 THR N 109.1 2.42 42 76 LYS N 94.66 4.24 43 77 ALA N 107.5 4.05 44 79 GLU N 92.63 3.86 45 81 SER N 93.29 3.34 46 86 GLY N 96.79 3.13 47 88 ASN N 96.31 4.17 48 89 THR N 88.67 7.81 49 92 ILE N 90.63 4.19 50 94 LYS N 90.82 5.24 51 96 ASP N 83.50 4.37 52 97 TYR N 84.17 3.84 53 99 ASN N 92.83 4.12 54 100 PHE N 86.41 3.60 55 101 LEU N 90.11 3.36 56 102 MET N 86.60 3.33 57 103 ALA N 91.66 5.11 58 104 HIS N 92.65 4.40 59 105 LEU N 86.39 4.86 60 106 ILE N 86.41 5.56 61 107 ASN N 93.88 3.66 62 111 GLY N 108.5 5.44 63 113 THR N 85.82 5.15 64 115 GLN N 98.81 3.37 65 116 LEU N 96.10 4.08 66 117 MET N 91.06 4.29 67 118 GLY N 89.67 4.57 68 120 TYR N 84.10 4.16 69 121 GLY N 89.84 4.74 70 123 GLU N 90.11 6.08 71 125 ASP N 90.82 3.43 72 126 LEU N 99.89 5.74 73 127 SER N 102.1 5.86 74 128 SER N 63.67 3.74 75 129 ASP N 94.23 3.68 76 130 ILE N 93.91 4.74 77 131 LYS N 92.03 3.46 78 133 ARG N 90.89 3.24 79 136 GLN N 92.52 3.14 80 137 LEU N 92.99 4.60 81 138 CYS N 80.34 4.08 82 140 LYS N 93.13 3.41 83 141 HIS N 95.70 4.79 84 142 GLY N 96.09 3.93 85 143 ILE N 65.56 3.72 86 144 LEU N 103.0 4.37 87 145 ARG N 100.1 4.74 88 148 ILE N 97.43 3.66 89 151 LEU N 91.11 6.10 90 153 ASN N 100.6 5.02 91 157 CYS N 91.73 4.33 stop_ save_ save_302_500_free_noe _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $302K _Spectrometer_frequency_1H 500 _Mol_system_component_name "MUP-I" _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 3 ALA 0.62 0.01 2 4 SER 0.59 0.01 3 11 ASN 0.74 0.01 4 12 VAL 0.65 0.01 5 13 GLU 0.69 0.02 6 16 ASN 0.74 0.02 7 17 GLY 0.73 0.01 8 19 TRP 0.73 0.01 9 20 HIS 0.73 0.02 10 21 THR 0.71 0.04 11 22 ILE 0.71 0.02 12 23 ILE 0.72 0.02 13 26 SER 0.74 0.01 14 27 ASP 0.72 0.01 15 30 GLU 0.68 0.01 16 31 LYS 0.62 0.02 17 32 ILE 0.76 0.04 18 33 GLU 0.72 0.01 19 35 ASN 0.68 0.01 20 36 GLY 0.72 0.01 21 37 ASN 0.73 0.01 22 39 ARG 0.73 0.01 23 40 LEU 0.71 0.03 24 41 PHE 0.65 0.01 25 42 LEU 0.73 0.03 26 48 LEU 0.72 0.01 27 51 SER 1.26 0.03 28 52 LEU 0.70 0.01 29 54 LEU 0.76 0.01 30 57 HIS 0.72 0.01 31 58 THR 0.75 0.05 32 60 ARG 0.64 0.01 33 64 CYS 0.60 0.02 34 65 SER 0.67 0.01 35 66 GLU 0.67 0.02 36 68 SER 0.66 0.01 37 69 MET 0.68 0.01 38 70 VAL 0.73 0.03 39 71 ALA 0.72 0.02 40 72 ASP 0.67 0.01 41 74 THR 0.63 0.01 42 76 LYS 0.66 0.01 43 77 ALA 0.65 0.01 44 79 GLU 0.70 0.01 45 81 SER 0.75 0.02 46 86 GLY 0.71 0.02 47 88 ASN 0.73 0.01 48 89 THR 0.75 0.01 49 92 ILE 0.77 0.02 50 94 LYS 0.73 0.01 51 96 ASP 0.74 0.02 52 97 TYR 0.77 0.05 53 99 ASN 0.73 0.02 54 100 PHE 0.73 0.02 55 101 LEU 0.75 0.01 56 102 MET 0.77 0.02 57 103 ALA 0.73 0.01 58 104 HIS 0.85 0.10 59 105 LEU 0.71 0.01 60 106 ILE 0.73 0.01 61 107 ASN 0.78 0.01 62 111 GLY 0.69 0.01 63 113 THR 0.68 0.02 64 115 GLN 0.71 0.01 65 116 LEU 0.74 0.03 66 117 MET 0.74 0.04 67 118 GLY 0.76 0.02 68 120 TYR 0.75 0.01 69 121 GLY 0.77 0.01 70 123 GLU 0.70 0.01 71 125 ASP 0.71 0.02 72 126 LEU 0.70 0.02 73 127 SER 0.69 0.01 74 128 SER 0.73 0.01 75 129 ASP 0.71 0.01 76 130 ILE 0.68 0.01 77 131 LYS 0.75 0.02 78 133 ARG 0.73 0.02 79 136 GLN 0.73 0.01 80 137 LEU 0.72 0.01 81 138 CYS 0.76 0.01 82 140 LYS 0.72 0.01 83 141 HIS 0.71 0.01 84 142 GLY 0.69 0.02 85 143 ILE 0.69 0.01 86 144 LEU 0.69 0.02 87 145 ARG 0.65 0.02 88 148 ILE 0.73 0.01 89 151 LEU 0.70 0.02 90 153 ASN 0.72 0.03 91 157 CYS 0.64 0.01 stop_ save_