data_6494 #Corrected using PDB structure: 1COMI # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 5 G HA 3.51 4.30 #102 D HA 3.54 4.57 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #106 H CB 44.24 30.95 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 44 Q N 105.02 115.78 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 7 R H 11.93 8.82 # 59 A H 6.03 8.24 # 79 M H 10.67 8.51 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.02 0.51 0.94 0.12 -0.58 0.02 # #bmr6494.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6494.str file): #HA CA CB CO N HN #N/A +0.72 +0.72 +0.12 -0.58 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.13 +/-0.19 +/-0.13 +/-0.35 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.907 0.970 0.990 0.864 0.814 0.627 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.140 0.698 0.944 0.667 1.802 0.314 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Chorismate Mutase ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eletsky Alexander . . 2 Kienhofer Alexander . . 3 Hilvert Donald . . 4 Pervushin Konstantin . . stop_ _BMRB_accession_number 6494 _BMRB_flat_file_name bmr6494.str _Entry_type new _Submission_date 2005-02-08 _Accession_date 2005-02-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronuclear_NOE 1 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 245 "15N chemical shifts" 118 "heteronuclear NOE" 114 "T1 relaxation" 234 "T2 relaxation" 231 stop_ loop_ _Related_BMRB_accession_number _Relationship 6495 "BsCM protein with TSA" 6496 "BsCM protein with prephenate" stop_ save_ ############################# # Citation for this entry # ############################# save_main_citation _Saveframe_category entry_citation _Citation_title ; Investigation of Ligand Binding and Protein Dynamics in Bacillus subtilis Chorismate Mutase by Transverse Relaxation Optimized Spectroscopy-Nuclear Magnetic Resonance ; _Citation_status published _Citation_type journal _PubMed_ID 15865424 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eletsky Alexander . . 2 Kienhofer Alexander . . 3 Hilvert Donald . . 4 Pervushin Konstantin . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 18 _Page_first 6788 _Page_last 6799 _Year 2005 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "BsCM trimer" _Abbreviation_common "BsCM trimer" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "BsCM polypeptide_A" $BsCM_polypeptide "BsCM polypeptide_B" $BsCM_polypeptide "BsCM polypeptide_C" $BsCM_polypeptide stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_BsCM_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BsCM _Name_variant . _Abbreviation_common BsCM _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MMIRGIRGATTVERDTEEEI LQKTKQLLEKIIEENHTKPE DVVQMLLSATPDLHAVFPAK AVRELSGWQYVPVTCMQEMD VTGGLKKCIRVMMTVQTDVP QDQIRHVYLEKAVVLRPDLS LTKNTEL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 ILE 4 ARG 5 GLY 6 ILE 7 ARG 8 GLY 9 ALA 10 THR 11 THR 12 VAL 13 GLU 14 ARG 15 ASP 16 THR 17 GLU 18 GLU 19 GLU 20 ILE 21 LEU 22 GLN 23 LYS 24 THR 25 LYS 26 GLN 27 LEU 28 LEU 29 GLU 30 LYS 31 ILE 32 ILE 33 GLU 34 GLU 35 ASN 36 HIS 37 THR 38 LYS 39 PRO 40 GLU 41 ASP 42 VAL 43 VAL 44 GLN 45 MET 46 LEU 47 LEU 48 SER 49 ALA 50 THR 51 PRO 52 ASP 53 LEU 54 HIS 55 ALA 56 VAL 57 PHE 58 PRO 59 ALA 60 LYS 61 ALA 62 VAL 63 ARG 64 GLU 65 LEU 66 SER 67 GLY 68 TRP 69 GLN 70 TYR 71 VAL 72 PRO 73 VAL 74 THR 75 CYS 76 MET 77 GLN 78 GLU 79 MET 80 ASP 81 VAL 82 THR 83 GLY 84 GLY 85 LEU 86 LYS 87 LYS 88 CYS 89 ILE 90 ARG 91 VAL 92 MET 93 MET 94 THR 95 VAL 96 GLN 97 THR 98 ASP 99 VAL 100 PRO 101 GLN 102 ASP 103 GLN 104 ILE 105 ARG 106 HIS 107 VAL 108 TYR 109 LEU 110 GLU 111 LYS 112 ALA 113 VAL 114 VAL 115 LEU 116 ARG 117 PRO 118 ASP 119 LEU 120 SER 121 LEU 122 THR 123 LYS 124 ASN 125 THR 126 GLU 127 LEU stop_ _Sequence_homology_query_date 2005-09-22 _Sequence_homology_query_revised_last_date 2005-08-25 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 1COM "A Chain A, Chorismate Mutase (E.C.5.4.99.5)Complexed With Prephenate" 100.00 127 100 100 8e-67 PDB 1DBF "A Chain A, Chorismate Mutase From BacillusSubtilis At 1.30 Angstrom" 100.00 127 100 100 8e-67 PDB 2CHS "A Chain A, Chorismate Mutase (E.C.5.4.99.5)" 100.00 127 100 100 8e-67 PDB 2CHT "A Chain A, Chorismate Mutase (E.C.5.4.99.5)Complexed With An Endo-Oxabicyclic Transition StateAnalog" 100.00 127 100 100 8e-67 PDB 1FNJ "A Chain A, Crystal Structure Analysis OfChorismate Mutase Mutant C88sR90K" 100.00 127 98 98 5e-64 PDB 1FNK "A Chain A, Crystal Structure Analysis OfChorismate Mutase Mutant C88kR90S" 100.00 127 98 98 2e-63 EMBL CAB14185.1 "chorismate mutase (isozymes 1 and 2)[Bacillus subtilis subsp. subtilis str. 168]" 100.00 127 99 99 2e-66 GenBank AAA22249.1 "chorismate mutase (aroH)" 100.00 127 100 100 8e-67 GenBank AAA20861.1 "AroH [Bacillus subtilis]" 100.00 127 99 99 2e-66 PIR A33894 "chorismate mutase (EC 5.4.99.5) - Bacillussubtilis" 100.00 127 100 100 8e-67 REF NP_390150.1 "chorismate mutase (isozymes 1 and 2)[Bacillus subtilis subsp. subtilis str. 168]" 100.00 127 99 99 2e-66 SWISS-PROT P19080 "CHMU_BACSU Chorismate mutase (CM)" 100.00 127 99 99 2e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BsCM_polypeptide "Bacillus subtilis" 1423 Eubacteria . Bacillus subtilis 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 $BsCM_polypeptide "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 $BsCM_polypeptide ? mM "[U-13C; U-15N; U-2H]" stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BsCM_polypeptide ? mM "[U-13C; U-15N; U-35% 2H]" stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BsCM_polypeptide ? mM [U-15N] stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer ? _Model ? _Field_strength ? save_ ############################# # NMR applied experiments # ############################# save_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; TROSY-CT-HNCA TROSY-HNCACB TROSY-HNCA TROSY-CBCACONH NOESY-TROSY TOCSY-TROSY MQ-HACACO ; save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 pH temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 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 (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. Tyr HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons or Trp HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Backbone_chemical_shift_of_unliganded_BsCM _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name "BsCM polypeptide_A" 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 1 MET CA C 55.62 0.200 1 2 1 MET CB C 34.12 0.200 1 3 1 MET C C 173.12 0.200 1 4 2 MET H H 8.34 0.010 1 5 2 MET N N 124.82 0.050 1 6 2 MET CA C 54.82 0.200 1 7 2 MET CB C 34.22 0.200 1 8 2 MET C C 172.72 0.200 1 9 2 MET HA H 4.44 0.010 1 10 3 ILE H H 7.89 0.010 1 11 3 ILE N N 118.42 0.050 1 12 3 ILE CA C 57.72 0.200 1 13 3 ILE CB C 38.02 0.200 1 14 3 ILE C C 174.62 0.200 1 15 3 ILE HA H 5.30 0.010 1 16 4 ARG H H 9.31 0.010 1 17 4 ARG N N 118.82 0.050 1 18 4 ARG CA C 55.32 0.200 1 19 4 ARG C C 175.82 0.200 1 20 4 ARG HA H 4.88 0.010 1 21 5 GLY H H 7.92 0.010 1 22 5 GLY N N 107.22 0.050 1 23 5 GLY CA C 45.02 0.200 1 24 5 GLY C C 172.92 0.200 1 25 5 GLY HA2 H 3.49 0.010 2 26 6 ILE H H 9.26 0.010 1 27 6 ILE N N 123.22 0.050 1 28 6 ILE CA C 62.42 0.200 1 29 6 ILE CB C 40.02 0.200 1 30 6 ILE C C 175.32 0.200 1 31 6 ILE HA H 4.39 0.010 1 32 7 ARG H H 11.91 0.010 1 33 7 ARG N N 130.22 0.050 1 34 7 ARG CA C 54.02 0.200 1 35 7 ARG C C 176.02 0.200 1 36 7 ARG HA H 5.39 0.010 1 37 8 GLY H H 7.72 0.010 1 38 8 GLY N N 102.32 0.050 1 39 8 GLY CA C 45.42 0.200 1 40 8 GLY C C 173.32 0.200 1 41 8 GLY HA2 H 3.48 0.010 1 42 8 GLY HA3 H 5.00 0.010 1 43 9 ALA H H 8.50 0.010 1 44 9 ALA N N 123.02 0.050 1 45 9 ALA CA C 52.22 0.200 1 46 9 ALA CB C 24.22 0.200 1 47 9 ALA C C 174.02 0.200 1 48 9 ALA HA H 5.45 0.010 1 49 10 THR H H 9.09 0.010 1 50 10 THR N N 115.02 0.050 1 51 10 THR CA C 59.52 0.200 1 52 10 THR CB C 68.72 0.200 1 53 10 THR C C 173.02 0.200 1 54 10 THR HA H 5.06 0.010 1 55 11 THR H H 8.12 0.010 1 56 11 THR N N 112.32 0.050 1 57 11 THR CA C 60.22 0.200 1 58 11 THR CB C 73.52 0.200 1 59 11 THR C C 173.72 0.200 1 60 11 THR HA H 5.71 0.010 1 61 12 VAL H H 8.09 0.010 1 62 12 VAL N N 108.62 0.050 1 63 12 VAL CA C 58.32 0.200 1 64 12 VAL CB C 34.22 0.200 1 65 12 VAL C C 176.22 0.200 1 66 12 VAL HA H 4.75 0.010 1 67 13 GLU H H 9.63 0.010 1 68 13 GLU N N 119.82 0.050 1 69 13 GLU CA C 57.42 0.200 1 70 13 GLU CB C 30.82 0.200 1 71 13 GLU C C 177.72 0.200 1 72 13 GLU HA H 4.20 0.010 1 73 14 ARG H H 7.69 0.010 1 74 14 ARG N N 115.52 0.050 1 75 14 ARG CA C 54.22 0.200 1 76 14 ARG CB C 33.42 0.200 1 77 14 ARG C C 173.42 0.200 1 78 14 ARG HA H 4.44 0.010 1 79 15 ASP H H 8.50 0.010 1 80 15 ASP N N 118.82 0.050 1 81 15 ASP CA C 52.62 0.200 1 82 15 ASP CB C 39.72 0.200 1 83 15 ASP C C 175.32 0.200 1 84 15 ASP HA H 4.70 0.010 1 85 16 THR H H 7.55 0.010 1 86 16 THR N N 112.62 0.050 1 87 16 THR CA C 58.52 0.200 1 88 16 THR CB C 72.02 0.200 1 89 16 THR C C 174.02 0.200 1 90 16 THR HA H 4.55 0.010 1 91 17 GLU H H 9.12 0.010 1 92 17 GLU N N 124.32 0.050 1 93 17 GLU CA C 59.52 0.200 1 94 17 GLU CB C 29.12 0.200 1 95 17 GLU C C 177.32 0.200 1 96 17 GLU HA H 3.62 0.010 1 97 18 GLU H H 8.81 0.010 1 98 18 GLU N N 115.82 0.050 1 99 18 GLU CA C 59.92 0.200 1 100 18 GLU CB C 29.12 0.200 1 101 18 GLU C C 179.02 0.200 1 102 18 GLU HA H 3.94 0.010 1 103 19 GLU H H 7.51 0.010 1 104 19 GLU N N 118.72 0.050 1 105 19 GLU CA C 59.82 0.200 1 106 19 GLU CB C 29.32 0.200 1 107 19 GLU C C 178.82 0.200 1 108 19 GLU HA H 4.17 0.010 1 109 20 ILE H H 8.15 0.010 1 110 20 ILE N N 117.52 0.050 1 111 20 ILE CA C 66.42 0.200 1 112 20 ILE CB C 37.82 0.200 1 113 20 ILE C C 179.92 0.200 1 114 20 ILE HA H 3.52 0.010 1 115 21 LEU H H 8.66 0.010 1 116 21 LEU N N 119.42 0.050 1 117 21 LEU CA C 58.82 0.200 1 118 21 LEU CB C 39.82 0.200 1 119 21 LEU C C 178.92 0.200 1 120 21 LEU HA H 3.93 0.010 1 121 22 GLN H H 8.04 0.010 1 122 22 GLN N N 118.82 0.050 1 123 22 GLN CA C 59.52 0.200 1 124 22 GLN CB C 28.32 0.200 1 125 22 GLN C C 179.42 0.200 1 126 22 GLN HA H 4.00 0.010 1 127 23 LYS H H 8.61 0.010 1 128 23 LYS N N 116.82 0.050 1 129 23 LYS CA C 58.12 0.200 1 130 23 LYS CB C 30.22 0.200 1 131 23 LYS C C 181.22 0.200 1 132 23 LYS HA H 4.13 0.010 1 133 24 THR H H 8.18 0.010 1 134 24 THR N N 118.32 0.050 1 135 24 THR CA C 68.92 0.200 1 136 24 THR CB C 67.62 0.200 1 137 24 THR C C 175.62 0.200 1 138 24 THR HA H 3.54 0.010 1 139 25 LYS H H 8.29 0.010 1 140 25 LYS N N 122.22 0.050 1 141 25 LYS CA C 61.32 0.200 1 142 25 LYS CB C 32.22 0.200 1 143 25 LYS C C 177.52 0.200 1 144 25 LYS HA H 3.47 0.010 1 145 26 GLN H H 7.96 0.010 1 146 26 GLN N N 115.52 0.050 1 147 26 GLN CA C 59.02 0.200 1 148 26 GLN CB C 28.52 0.200 1 149 26 GLN C C 178.82 0.200 1 150 26 GLN HA H 4.08 0.010 1 151 27 LEU H H 7.55 0.010 1 152 27 LEU N N 120.22 0.050 1 153 27 LEU CA C 58.12 0.200 1 154 27 LEU C C 177.72 0.200 1 155 27 LEU HA H 4.11 0.010 1 156 28 LEU H H 8.18 0.010 1 157 28 LEU N N 117.52 0.050 1 158 28 LEU CA C 58.02 0.200 1 159 28 LEU C C 178.52 0.200 1 160 28 LEU HA H 3.65 0.010 1 161 29 GLU H H 8.75 0.010 1 162 29 GLU N N 115.62 0.050 1 163 29 GLU CA C 60.42 0.200 1 164 29 GLU C C 179.52 0.200 1 165 29 GLU HA H 3.68 0.010 1 166 30 LYS H H 7.74 0.010 1 167 30 LYS N N 120.62 0.050 1 168 30 LYS CA C 57.82 0.200 1 169 30 LYS C C 178.52 0.200 1 170 30 LYS HA H 4.29 0.010 1 171 31 ILE H H 8.19 0.010 1 172 31 ILE N N 119.52 0.050 1 173 31 ILE CA C 66.92 0.200 1 174 31 ILE CB C 38.02 0.200 1 175 31 ILE C C 179.02 0.200 1 176 31 ILE HA H 3.35 0.010 1 177 32 ILE H H 8.45 0.010 1 178 32 ILE N N 120.62 0.050 1 179 32 ILE CA C 65.72 0.200 1 180 32 ILE CB C 38.42 0.200 1 181 32 ILE C C 178.72 0.200 1 182 32 ILE HA H 3.61 0.010 1 183 33 GLU H H 8.16 0.010 1 184 33 GLU N N 120.52 0.050 1 185 33 GLU CA C 59.22 0.200 1 186 33 GLU CB C 30.12 0.200 1 187 33 GLU C C 179.62 0.200 1 188 33 GLU HA H 4.02 0.010 1 189 34 GLU H H 8.28 0.010 1 190 34 GLU N N 114.82 0.050 1 191 34 GLU CA C 59.02 0.200 1 192 34 GLU CB C 30.12 0.200 1 193 34 GLU C C 177.82 0.200 1 194 34 GLU HA H 4.04 0.010 1 195 35 ASN H H 7.69 0.010 1 196 35 ASN N N 111.62 0.050 1 197 35 ASN CA C 53.82 0.200 1 198 35 ASN CB C 40.62 0.200 1 199 35 ASN C C 174.02 0.200 1 200 35 ASN HA H 4.83 0.010 1 201 36 HIS H H 7.84 0.010 1 202 36 HIS N N 119.12 0.050 1 203 36 HIS CA C 56.82 0.200 1 204 36 HIS CB C 26.82 0.200 1 205 36 HIS C C 174.72 0.200 1 206 36 HIS HA H 4.36 0.010 1 207 37 THR H H 7.64 0.010 1 208 37 THR N N 116.12 0.050 1 209 37 THR CA C 65.32 0.200 1 210 37 THR CB C 70.72 0.200 1 211 37 THR C C 174.72 0.200 1 212 37 THR HA H 3.90 0.010 1 213 38 LYS H H 9.00 0.010 1 214 38 LYS N N 128.82 0.050 1 215 38 LYS CA C 53.42 0.200 1 216 38 LYS CB C 31.22 0.200 1 217 38 LYS HA H 4.78 0.010 1 218 39 PRO CA C 64.52 0.200 1 219 39 PRO CB C 29.62 0.200 1 220 39 PRO C C 178.92 0.200 1 221 39 PRO HA H 2.70 0.010 1 222 40 GLU H H 9.17 0.010 1 223 40 GLU N N 115.62 0.050 1 224 40 GLU CA C 59.22 0.200 1 225 40 GLU CB C 27.72 0.200 1 226 40 GLU C C 177.22 0.200 1 227 40 GLU HA H 3.84 0.010 1 228 41 ASP H H 7.59 0.010 1 229 41 ASP N N 119.12 0.050 1 230 41 ASP CA C 55.02 0.200 1 231 41 ASP CB C 41.42 0.200 1 232 41 ASP C C 175.02 0.200 1 233 41 ASP HA H 4.78 0.010 1 234 42 VAL H H 7.62 0.010 1 235 42 VAL N N 121.02 0.050 1 236 42 VAL CA C 63.22 0.200 1 237 42 VAL C C 175.22 0.200 1 238 42 VAL HA H 3.99 0.010 1 239 43 VAL H H 8.95 0.010 1 240 43 VAL N N 127.82 0.050 1 241 43 VAL CA C 65.52 0.200 1 242 43 VAL CB C 31.02 0.200 1 243 43 VAL C C 176.62 0.200 1 244 43 VAL HA H 3.69 0.010 1 245 44 GLN H H 7.24 0.010 1 246 44 GLN N N 105.02 0.050 1 247 44 GLN CA C 53.92 0.200 1 248 44 GLN CB C 29.62 0.200 1 249 44 GLN C C 173.12 0.200 1 250 44 GLN HA H 4.88 0.010 1 251 45 MET H H 8.50 0.010 1 252 45 MET N N 117.12 0.050 1 253 45 MET CA C 55.32 0.200 1 254 45 MET CB C 38.02 0.200 1 255 45 MET C C 172.52 0.200 1 256 45 MET HA H 5.13 0.010 1 257 46 LEU H H 8.20 0.010 1 258 46 LEU N N 121.72 0.050 1 259 46 LEU CA C 52.72 0.200 1 260 46 LEU CB C 44.02 0.200 1 261 46 LEU C C 176.32 0.200 1 262 46 LEU HA H 5.40 0.010 1 263 47 LEU H H 8.15 0.010 1 264 47 LEU N N 123.02 0.050 1 265 47 LEU CA C 54.22 0.200 1 266 47 LEU C C 174.72 0.200 1 267 47 LEU HA H 5.47 0.010 1 268 48 SER H H 9.70 0.010 1 269 48 SER N N 117.12 0.050 1 270 48 SER CA C 54.12 0.200 1 271 48 SER CB C 67.62 0.200 1 272 48 SER C C 173.22 0.200 1 273 48 SER HA H 6.10 0.010 1 274 49 ALA H H 7.76 0.010 1 275 49 ALA N N 119.52 0.050 1 276 49 ALA CA C 50.02 0.200 1 277 49 ALA CB C 23.62 0.200 1 278 49 ALA C C 177.62 0.200 1 279 49 ALA HA H 5.59 0.010 1 280 50 THR H H 8.03 0.010 1 281 50 THR N N 114.12 0.050 1 282 50 THR CA C 61.32 0.200 1 283 50 THR CB C 67.22 0.200 1 284 50 THR HA H 3.84 0.010 1 285 51 PRO CA C 64.72 0.200 1 286 51 PRO CB C 30.72 0.200 1 287 51 PRO C C 173.72 0.200 1 288 51 PRO HA H 4.52 0.010 1 289 52 ASP H H 7.94 0.010 1 290 52 ASP N N 116.52 0.050 1 291 52 ASP CA C 52.72 0.200 1 292 52 ASP CB C 40.52 0.200 1 293 52 ASP C C 174.92 0.200 1 294 52 ASP HA H 4.58 0.010 1 295 53 LEU H H 6.96 0.010 1 296 53 LEU N N 119.12 0.050 1 297 53 LEU CA C 53.52 0.200 1 298 53 LEU CB C 43.22 0.200 1 299 53 LEU C C 175.22 0.200 1 300 53 LEU HA H 4.41 0.010 1 301 54 HIS H H 10.16 0.010 1 302 54 HIS N N 117.22 0.050 1 303 54 HIS CA C 54.52 0.200 1 304 54 HIS CB C 31.92 0.200 1 305 54 HIS C C 176.72 0.200 1 306 54 HIS HA H 4.84 0.010 1 307 55 ALA H H 9.83 0.010 1 308 55 ALA N N 123.02 0.050 1 309 55 ALA CA C 56.82 0.200 1 310 55 ALA CB C 18.92 0.200 1 311 55 ALA C C 178.32 0.200 1 312 55 ALA HA H 3.94 0.010 1 313 56 VAL H H 6.83 0.010 1 314 56 VAL N N 109.42 0.050 1 315 56 VAL CA C 59.62 0.200 1 316 56 VAL CB C 33.62 0.200 1 317 56 VAL C C 171.92 0.200 1 318 56 VAL HA H 4.10 0.010 1 319 57 PHE H H 7.57 0.010 1 320 57 PHE N N 121.42 0.050 1 321 57 PHE CA C 56.82 0.200 1 322 57 PHE CB C 39.72 0.200 1 323 57 PHE HA H 4.75 0.010 1 324 58 PRO CA C 64.62 0.200 1 325 58 PRO CB C 31.42 0.200 1 326 58 PRO C C 175.32 0.200 1 327 58 PRO HA H 3.94 0.010 1 328 59 ALA H H 6.01 0.010 1 329 59 ALA N N 112.72 0.050 1 330 59 ALA CA C 53.92 0.200 1 331 59 ALA CB C 20.12 0.200 1 332 59 ALA C C 178.22 0.200 1 333 59 ALA HA H 3.65 0.010 1 334 60 LYS H H 7.71 0.010 1 335 60 LYS N N 120.22 0.050 1 336 60 LYS CA C 59.52 0.200 1 337 60 LYS CB C 32.32 0.200 1 338 60 LYS C C 177.62 0.200 1 339 60 LYS HA H 3.93 0.010 1 340 61 ALA H H 7.53 0.010 1 341 61 ALA N N 118.42 0.050 1 342 61 ALA CA C 54.32 0.200 1 343 61 ALA CB C 19.22 0.200 1 344 61 ALA C C 178.72 0.200 1 345 61 ALA HA H 3.94 0.010 1 346 62 VAL H H 7.24 0.010 1 347 62 VAL N N 114.02 0.050 1 348 62 VAL CA C 65.62 0.200 1 349 62 VAL CB C 31.02 0.200 1 350 62 VAL C C 177.12 0.200 1 351 62 VAL HA H 3.16 0.010 1 352 63 ARG H H 7.01 0.010 1 353 63 ARG N N 114.92 0.050 1 354 63 ARG CA C 57.52 0.200 1 355 63 ARG CB C 29.22 0.200 1 356 63 ARG C C 176.92 0.200 1 357 63 ARG HA H 4.07 0.010 1 358 64 GLU H H 7.19 0.010 1 359 64 GLU N N 115.22 0.050 1 360 64 GLU CA C 56.32 0.200 1 361 64 GLU CB C 29.52 0.200 1 362 64 GLU C C 176.32 0.200 1 363 64 GLU HA H 4.15 0.010 1 364 65 LEU H H 7.30 0.010 1 365 65 LEU N N 121.22 0.050 1 366 65 LEU CA C 53.72 0.200 1 367 65 LEU CB C 40.42 0.200 1 368 65 LEU C C 176.82 0.200 1 369 65 LEU HA H 4.35 0.010 1 370 66 SER H H 8.63 0.010 1 371 66 SER N N 120.72 0.050 1 372 66 SER CA C 60.12 0.200 1 373 66 SER CB C 62.72 0.200 1 374 66 SER HA H 4.33 0.010 1 375 67 GLY CA C 46.22 0.200 1 376 67 GLY C C 176.62 0.200 1 377 68 TRP H H 7.91 0.010 1 378 68 TRP N N 120.72 0.050 1 379 68 TRP CA C 59.92 0.200 1 380 68 TRP CB C 26.82 0.200 1 381 68 TRP C C 177.42 0.200 1 382 68 TRP HA H 4.30 0.010 1 383 69 GLN H H 9.09 0.010 1 384 69 GLN N N 119.32 0.050 1 385 69 GLN CA C 59.02 0.200 1 386 69 GLN CB C 26.92 0.200 1 387 69 GLN C C 175.92 0.200 1 388 69 GLN HA H 3.89 0.010 1 389 70 TYR H H 8.63 0.010 1 390 70 TYR N N 117.52 0.050 1 391 70 TYR CA C 56.52 0.200 1 392 70 TYR CB C 37.72 0.200 1 393 70 TYR C C 175.42 0.200 1 394 70 TYR HA H 4.91 0.010 1 395 71 VAL H H 7.22 0.010 1 396 71 VAL N N 124.22 0.050 1 397 71 VAL CA C 61.52 0.200 1 398 71 VAL CB C 32.52 0.200 1 399 71 VAL HA H 3.89 0.010 1 400 72 PRO CA C 63.12 0.200 1 401 72 PRO CB C 31.72 0.200 1 402 72 PRO C C 176.42 0.200 1 403 72 PRO HA H 4.10 0.010 1 404 73 VAL H H 8.00 0.010 1 405 73 VAL N N 122.42 0.050 1 406 73 VAL CA C 58.72 0.200 1 407 73 VAL CB C 34.52 0.200 1 408 73 VAL C C 174.52 0.200 1 409 73 VAL HA H 5.43 0.010 1 410 74 THR H H 7.89 0.010 1 411 74 THR N N 119.12 0.050 1 412 74 THR CA C 62.42 0.200 1 413 74 THR CB C 72.42 0.200 1 414 74 THR C C 171.92 0.200 1 415 74 THR HA H 4.53 0.010 1 416 75 CYS H H 8.08 0.010 1 417 75 CYS N N 119.82 0.050 1 418 75 CYS CA C 57.72 0.200 1 419 75 CYS CB C 31.72 0.200 1 420 75 CYS C C 172.92 0.200 1 421 75 CYS HA H 6.16 0.010 1 422 76 MET H H 8.08 0.010 1 423 76 MET N N 112.12 0.050 1 424 76 MET CA C 55.72 0.200 1 425 76 MET CB C 33.12 0.200 1 426 76 MET C C 173.62 0.200 1 427 76 MET HA H 4.88 0.010 1 428 77 GLN H H 8.52 0.010 1 429 77 GLN N N 120.02 0.050 1 430 77 GLN CA C 55.82 0.200 1 431 77 GLN CB C 31.22 0.200 1 432 77 GLN C C 175.82 0.200 1 433 77 GLN HA H 4.72 0.010 1 434 78 GLU H H 8.22 0.010 1 435 78 GLU N N 127.82 0.050 1 436 78 GLU CA C 55.42 0.200 1 437 78 GLU CB C 31.32 0.200 1 438 78 GLU C C 176.22 0.200 1 439 78 GLU HA H 4.49 0.010 1 440 79 MET H H 10.65 0.010 1 441 79 MET N N 125.62 0.050 1 442 79 MET CA C 57.82 0.200 1 443 79 MET CB C 34.82 0.200 1 444 79 MET C C 175.32 0.200 1 445 79 MET HA H 3.97 0.010 1 446 80 ASP H H 9.19 0.010 1 447 80 ASP N N 123.42 0.050 1 448 80 ASP CA C 53.12 0.200 1 449 80 ASP CB C 41.02 0.200 1 450 80 ASP C C 175.52 0.200 1 451 80 ASP HA H 4.56 0.010 1 452 81 VAL H H 7.19 0.010 1 453 81 VAL N N 124.62 0.050 1 454 81 VAL CA C 60.42 0.200 1 455 81 VAL CB C 34.42 0.200 1 456 81 VAL C C 177.62 0.200 1 457 81 VAL HA H 4.47 0.010 1 458 82 THR H H 8.86 0.010 1 459 82 THR N N 127.22 0.050 1 460 82 THR CA C 64.72 0.200 1 461 82 THR CB C 68.62 0.200 1 462 82 THR HA H 3.93 0.010 1 463 83 GLY CA C 45.52 0.200 1 464 83 GLY C C 175.12 0.200 1 465 83 GLY HA2 H 3.53 0.010 1 466 83 GLY HA3 H 4.13 0.010 1 467 84 GLY H H 8.31 0.010 1 468 84 GLY N N 108.92 0.050 1 469 84 GLY CA C 44.62 0.200 1 470 84 GLY C C 173.52 0.200 1 471 84 GLY HA2 H 3.52 0.010 1 472 84 GLY HA3 H 4.16 0.010 1 473 85 LEU H H 7.99 0.010 1 474 85 LEU N N 125.02 0.050 1 475 85 LEU CA C 56.12 0.200 1 476 85 LEU CB C 42.62 0.200 1 477 85 LEU C C 177.22 0.200 1 478 85 LEU HA H 4.19 0.010 1 479 86 LYS H H 8.17 0.010 1 480 86 LYS N N 125.42 0.050 1 481 86 LYS CA C 55.52 0.200 1 482 86 LYS CB C 32.82 0.200 1 483 86 LYS C C 175.42 0.200 1 484 86 LYS HA H 4.28 0.010 1 485 87 LYS H H 9.54 0.010 1 486 87 LYS N N 119.02 0.050 1 487 87 LYS CA C 57.12 0.200 1 488 87 LYS CB C 31.02 0.200 1 489 87 LYS C C 173.82 0.200 1 490 87 LYS HA H 3.29 0.010 1 491 88 CYS H H 8.35 0.010 1 492 88 CYS N N 115.92 0.050 1 493 88 CYS CA C 58.22 0.200 1 494 88 CYS C C 175.12 0.200 1 495 88 CYS HA H 5.15 0.010 1 496 89 ILE H H 8.42 0.010 1 497 89 ILE N N 132.42 0.050 1 498 89 ILE CA C 59.72 0.200 1 499 89 ILE CB C 40.92 0.200 1 500 89 ILE C C 174.52 0.200 1 501 89 ILE HA H 5.04 0.010 1 502 90 ARG H H 8.70 0.010 1 503 90 ARG N N 123.72 0.050 1 504 90 ARG CA C 54.12 0.200 1 505 90 ARG CB C 33.02 0.200 1 506 90 ARG C C 175.72 0.200 1 507 90 ARG HA H 5.24 0.010 1 508 91 VAL H H 8.87 0.010 1 509 91 VAL N N 118.92 0.050 1 510 91 VAL CA C 59.72 0.200 1 511 91 VAL C C 175.62 0.200 1 512 91 VAL HA H 4.99 0.010 1 513 92 MET H H 8.92 0.010 1 514 92 MET N N 126.32 0.050 1 515 92 MET CA C 54.82 0.200 1 516 92 MET C C 174.72 0.200 1 517 92 MET HA H 5.26 0.010 1 518 93 MET H H 10.19 0.010 1 519 93 MET N N 133.62 0.050 1 520 93 MET CA C 55.32 0.200 1 521 93 MET CB C 36.12 0.200 1 522 93 MET C C 173.62 0.200 1 523 93 MET HA H 4.69 0.010 1 524 94 THR H H 8.50 0.010 1 525 94 THR N N 124.92 0.050 1 526 94 THR CA C 63.42 0.200 1 527 94 THR CB C 69.62 0.200 1 528 94 THR C C 174.02 0.200 1 529 94 THR HA H 4.81 0.010 1 530 95 VAL H H 9.18 0.010 1 531 95 VAL N N 121.72 0.050 1 532 95 VAL CA C 59.52 0.200 1 533 95 VAL C C 174.12 0.200 1 534 95 VAL HA H 5.41 0.010 1 535 96 GLN H H 9.07 0.010 1 536 96 GLN N N 122.82 0.050 1 537 96 GLN CA C 55.52 0.200 1 538 96 GLN CB C 29.12 0.200 1 539 96 GLN C C 175.32 0.200 1 540 96 GLN HA H 5.11 0.010 1 541 97 THR H H 8.69 0.010 1 542 97 THR N N 122.72 0.050 1 543 97 THR CA C 60.82 0.200 1 544 97 THR CB C 67.92 0.200 1 545 97 THR C C 171.42 0.200 1 546 97 THR HA H 4.64 0.010 1 547 98 ASP H H 8.59 0.010 1 548 98 ASP N N 126.62 0.050 1 549 98 ASP CA C 53.92 0.200 1 550 98 ASP CB C 41.22 0.200 1 551 98 ASP C C 176.62 0.200 1 552 98 ASP HA H 4.84 0.010 1 553 99 VAL H H 8.38 0.010 1 554 99 VAL N N 127.22 0.050 1 555 99 VAL CA C 62.12 0.200 1 556 99 VAL CB C 32.32 0.200 1 557 99 VAL HA H 3.97 0.010 1 558 100 PRO CA C 63.02 0.200 1 559 100 PRO CB C 32.82 0.200 1 560 100 PRO C C 177.52 0.200 1 561 100 PRO HA H 4.33 0.010 1 562 101 GLN H H 8.94 0.010 1 563 101 GLN N N 120.52 0.050 1 564 101 GLN CA C 60.12 0.200 1 565 101 GLN CB C 31.32 0.200 1 566 101 GLN C C 178.42 0.200 1 567 101 GLN HA H 3.70 0.010 1 568 102 ASP H H 8.61 0.010 1 569 102 ASP N N 114.82 0.050 1 570 102 ASP CA C 55.42 0.200 1 571 102 ASP CB C 38.52 0.200 1 572 102 ASP C C 175.22 0.200 1 573 102 ASP HA H 3.52 0.010 1 574 103 GLN H H 7.69 0.010 1 575 103 GLN N N 116.82 0.050 1 576 103 GLN CA C 55.02 0.200 1 577 103 GLN CB C 30.32 0.200 1 578 103 GLN C C 175.92 0.200 1 579 103 GLN HA H 4.31 0.010 1 580 104 ILE H H 6.57 0.010 1 581 104 ILE N N 123.02 0.050 1 582 104 ILE CA C 60.42 0.200 1 583 104 ILE CB C 36.22 0.200 1 584 104 ILE C C 175.82 0.200 1 585 104 ILE HA H 3.69 0.010 1 586 105 ARG H H 8.06 0.010 1 587 105 ARG N N 127.92 0.050 1 588 105 ARG CA C 55.22 0.200 1 589 105 ARG CB C 28.92 0.200 1 590 105 ARG C C 173.62 0.200 1 591 105 ARG HA H 4.40 0.010 1 592 106 HIS H H 7.65 0.010 1 593 106 HIS N N 125.52 0.050 1 594 106 HIS CA C 56.32 0.200 1 595 106 HIS CB C 44.02 0.200 1 596 106 HIS C C 177.72 0.200 1 597 106 HIS HA H 4.98 0.010 1 598 107 VAL H H 7.76 0.010 1 599 107 VAL N N 123.52 0.050 1 600 107 VAL CA C 62.82 0.200 1 601 107 VAL CB C 34.72 0.200 1 602 107 VAL C C 172.62 0.200 1 603 107 VAL HA H 4.28 0.010 1 604 108 TYR H H 8.32 0.010 1 605 108 TYR N N 125.62 0.050 1 606 108 TYR CA C 56.92 0.200 1 607 108 TYR CB C 40.12 0.200 1 608 108 TYR C C 174.22 0.200 1 609 108 TYR HA H 4.96 0.010 1 610 109 LEU H H 8.62 0.010 1 611 109 LEU N N 121.42 0.050 1 612 109 LEU CA C 53.12 0.200 1 613 109 LEU CB C 46.12 0.200 1 614 109 LEU C C 176.12 0.200 1 615 109 LEU HA H 4.85 0.010 1 616 110 GLU H H 8.86 0.010 1 617 110 GLU N N 113.62 0.050 1 618 110 GLU CA C 56.42 0.200 1 619 110 GLU CB C 26.52 0.200 1 620 110 GLU C C 179.22 0.200 1 621 110 GLU HA H 3.82 0.010 1 622 111 LYS H H 8.31 0.010 1 623 111 LYS N N 121.02 0.050 1 624 111 LYS CA C 58.42 0.200 1 625 111 LYS CB C 30.52 0.200 1 626 111 LYS C C 177.52 0.200 1 627 111 LYS HA H 4.36 0.010 1 628 112 ALA H H 8.22 0.010 1 629 112 ALA N N 118.02 0.050 1 630 112 ALA CA C 52.92 0.200 1 631 112 ALA CB C 17.32 0.200 1 632 112 ALA C C 177.72 0.200 1 633 112 ALA HA H 4.22 0.010 1 634 113 VAL H H 6.95 0.010 1 635 113 VAL N N 115.92 0.050 1 636 113 VAL CA C 65.32 0.200 1 637 113 VAL CB C 31.02 0.200 1 638 113 VAL C C 177.42 0.200 1 639 113 VAL HA H 3.78 0.010 1 640 114 VAL H H 6.65 0.010 1 641 114 VAL N N 114.02 0.050 1 642 114 VAL CA C 63.72 0.200 1 643 114 VAL CB C 31.42 0.200 1 644 114 VAL C C 176.32 0.200 1 645 114 VAL HA H 4.12 0.010 1 646 115 LEU H H 7.78 0.010 1 647 115 LEU N N 119.32 0.050 1 648 115 LEU CA C 54.42 0.200 1 649 115 LEU CB C 40.82 0.200 1 650 115 LEU C C 176.92 0.200 1 651 115 LEU HA H 4.08 0.010 1 652 116 ARG H H 6.93 0.010 1 653 116 ARG N N 121.42 0.050 1 654 116 ARG CA C 54.62 0.200 1 655 116 ARG CB C 30.22 0.200 1 656 116 ARG HA H 4.83 0.010 1 657 117 PRO CA C 63.62 0.200 1 658 117 PRO CB C 31.82 0.200 1 659 117 PRO C C 176.52 0.200 1 660 117 PRO HA H 4.26 0.010 1 661 118 ASP H H 8.37 0.010 1 662 118 ASP N N 120.02 0.050 1 663 118 ASP CA C 54.12 0.200 1 664 118 ASP CB C 40.72 0.200 1 665 118 ASP C C 176.62 0.200 1 666 118 ASP HA H 4.55 0.010 1 667 119 LEU H H 8.14 0.010 1 668 119 LEU N N 123.42 0.050 1 669 119 LEU CA C 55.52 0.200 1 670 119 LEU CB C 41.62 0.200 1 671 119 LEU C C 177.72 0.200 1 672 119 LEU HA H 4.36 0.010 1 673 120 SER H H 8.29 0.010 1 674 120 SER N N 116.32 0.050 1 675 120 SER CA C 59.22 0.200 1 676 120 SER CB C 63.62 0.200 1 677 120 SER C C 174.92 0.200 1 678 120 SER HA H 4.38 0.010 1 679 121 LEU H H 8.12 0.010 1 680 121 LEU N N 123.52 0.050 1 681 121 LEU CA C 55.52 0.200 1 682 121 LEU CB C 41.92 0.200 1 683 121 LEU C C 177.72 0.200 1 684 121 LEU HA H 4.42 0.010 1 685 122 THR H H 8.01 0.010 1 686 122 THR N N 114.72 0.050 1 687 122 THR CA C 62.32 0.200 1 688 122 THR CB C 70.12 0.200 1 689 122 THR C C 174.52 0.200 1 690 123 LYS H H 8.27 0.010 1 691 123 LYS N N 123.52 0.050 1 692 123 LYS CA C 56.42 0.200 1 693 123 LYS CB C 32.82 0.200 1 694 123 LYS HA H 4.31 0.010 1 695 124 ASN H H 8.51 0.010 1 696 124 ASN N N 120.62 0.050 1 697 124 ASN CA C 53.72 0.200 1 698 124 ASN CB C 38.92 0.200 1 699 124 ASN C C 175.62 0.200 1 700 124 ASN HA H 4.76 0.010 1 701 125 THR H H 8.11 0.010 1 702 125 THR N N 114.52 0.050 1 703 125 THR CA C 69.82 0.200 1 704 125 THR CB C 62.32 0.200 1 705 125 THR C C 174.52 0.200 1 706 125 THR HA H 4.32 0.010 1 707 126 GLU H H 8.32 0.010 1 708 126 GLU N N 123.52 0.050 1 709 126 GLU CA C 56.62 0.200 1 710 126 GLU CB C 30.12 0.200 1 711 126 GLU C C 175.52 0.200 1 712 126 GLU HA H 4.29 0.010 1 713 127 LEU H H 7.80 0.010 1 714 127 LEU N N 128.32 0.050 1 715 127 LEU CA C 57.02 0.200 1 716 127 LEU CB C 42.92 0.200 1 717 127 LEU HA H 4.14 0.010 1 stop_ save_ save_heteronuclear_NOE_set_600 _Saveframe_category heteronuclear_NOE loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name "BsCM polypeptide_A" _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type "relative intensities" loop_ _Heteronuclear_NOE_ID _Residue_seq_code _Residue_label _Atom_one_name _Atom_two_name _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 2 MET N H 0.312 0.009 2 3 ILE N H 0.691 0.024 3 4 ARG N H 0.718 0.027 4 5 GLY N H 0.808 0.033 5 6 ILE N H 0.779 0.023 6 7 ARG N H 0.822 0.032 7 8 GLY N H 0.753 0.022 8 9 ALA N H 0.842 0.023 9 10 THR N H 0.867 0.020 10 11 THR N H 0.896 0.024 11 12 VAL N H 0.817 0.026 12 13 GLU N H 0.627 0.020 13 14 ARG N H 0.583 0.012 14 15 ASP N H 0.620 0.017 15 16 THR N H 0.832 0.013 16 17 GLU N H 0.812 0.018 17 18 GLU N H 0.783 0.011 18 19 GLU N H 0.769 0.011 19 20 ILE N H 0.883 0.016 20 21 LEU N H 0.804 0.020 21 22 GLN N H 0.749 0.012 22 23 LYS N H 0.791 0.019 23 24 THR N H 0.780 0.016 24 25 LYS N H 0.691 0.015 25 26 GLN N H 0.805 0.018 26 27 LEU N H 0.857 0.021 27 28 LEU N H 0.865 0.017 28 29 GLU N H 0.860 0.019 29 30 LYS N H 0.815 0.013 30 31 ILE N H 0.836 0.026 31 33 GLU N H 0.844 0.015 32 34 GLU N H 0.785 0.019 33 35 ASN N H 0.766 0.020 34 36 HIS N H 0.752 0.014 35 37 THR N H 0.729 0.012 36 38 LYS N H 0.760 0.021 37 40 GLU N H 0.790 0.015 38 41 ASP N H 0.754 0.015 39 42 VAL N H 0.783 0.016 40 43 VAL N H 0.840 0.048 41 44 GLN N H 0.751 0.024 42 45 MET N H 0.813 0.019 43 46 LEU N H 0.751 0.027 44 48 SER N H 0.829 0.019 45 49 ALA N H 0.815 0.017 46 50 THR N H 0.671 0.018 47 52 ASP N H 0.792 0.014 48 53 LEU N H 0.745 0.019 49 54 HIS N H 0.834 0.035 50 55 ALA N H 0.793 0.022 51 56 VAL N H 0.804 0.012 52 57 PHE N H 0.782 0.023 53 59 ALA N H 0.821 0.068 54 60 LYS N H 0.836 0.018 55 61 ALA N H 0.801 0.012 56 62 VAL N H 0.723 0.015 57 63 ARG N H 0.676 0.015 58 64 GLU N H 0.641 0.014 59 65 LEU N H 0.644 0.011 60 66 SER N H 0.482 0.014 61 68 TRP N H 0.757 0.017 62 69 GLN N H 0.760 0.012 63 70 TYR N H 0.783 0.018 64 71 VAL N H 0.765 0.016 65 73 VAL N H 0.730 0.023 66 74 THR N H 0.778 0.015 67 75 CYS N H 0.979 0.041 68 76 MET N H 0.852 0.029 69 77 GLN N H 0.679 0.020 70 78 GLU N H 0.813 0.035 71 79 MET N H 0.747 0.042 72 80 ASP N H 0.801 0.023 73 81 VAL N H 0.699 0.020 74 82 THR N H 0.773 0.019 75 84 GLY N H 0.750 0.011 76 86 LYS N H 0.718 0.021 77 87 LYS N H 0.790 0.035 78 88 CYS N H 0.942 0.023 79 89 ILE N H 0.808 0.026 80 90 ARG N H 0.844 0.029 81 91 VAL N H 0.697 0.027 82 92 MET N H 0.826 0.020 83 93 MET N H 0.835 0.023 84 94 THR N H 0.651 0.019 85 95 VAL N H 0.847 0.021 86 96 GLN N H 0.787 0.027 87 97 THR N H 0.777 0.021 88 98 ASP N H 0.632 0.019 89 99 VAL N H 0.770 0.022 90 101 GLN N H 0.778 0.020 91 102 ASP N H 0.811 0.012 92 103 GLN N H 0.807 0.017 93 104 ILE N H 0.750 0.037 94 105 ARG N H 0.807 0.022 95 106 HIS N H 0.724 0.017 96 107 VAL N H 0.843 0.026 97 108 TYR N H 0.849 0.019 98 109 LEU N H 0.789 0.024 99 110 GLU N H 0.746 0.020 100 112 VAL N H 0.783 0.014 101 113 VAL N H 0.745 0.018 102 114 VAL N H 0.701 0.057 103 115 LEU N H 0.758 0.017 104 116 ARG N H 0.640 0.021 105 118 ASP N H 0.351 0.009 106 119 LEU N H 0.226 0.004 107 120 SER N H 0.246 0.005 108 121 LEU N H 0.187 0.003 109 122 THR N H 0.087 0.003 110 123 LYS N H -0.018 0.004 111 124 ASN N H -0.075 0.010 112 125 THR N H -0.327 0.003 113 126 GLU N H -0.430 0.002 114 127 LEU N H -1.000 0.002 stop_ save_ save_T1 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name "BsCM polypeptide_A" loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 MET N 1.183 0.045 2 3 ILE N 1.943 0.085 3 4 ARG N 2.238 0.123 4 5 GLY N 1.961 0.388 5 6 ILE N 2.185 0.222 6 7 ARG N 2.088 0.141 7 8 GLY N 1.998 0.093 8 9 ALA N 2.168 0.095 9 10 THR N 2.227 0.043 10 11 THR N 2.269 0.076 11 12 VAL N 2.004 0.087 12 13 GLU N 2.058 0.062 13 14 ARG N 1.728 0.029 14 15 ASP N 1.976 0.070 15 16 THR N 2.223 0.060 16 17 GLU N 2.157 0.060 17 18 GLU N 2.050 0.038 18 19 GLU N 2.002 0.046 19 20 ILE N 2.237 0.045 20 21 LEU N 2.016 0.049 21 22 GLN N 2.059 0.016 22 23 LYS N 1.993 0.023 23 24 THR N 2.048 0.065 24 25 LYS N 2.088 0.061 25 26 GLN N 2.105 0.042 26 27 LEU N 2.072 0.058 27 28 LEU N 2.134 0.127 28 29 GLU N 2.149 0.043 29 30 LYS N 2.031 0.044 30 31 ILE N 2.009 0.065 31 32 ILE N 1.929 0.077 32 33 GLU N 2.106 0.031 33 34 GLU N 2.240 0.070 34 35 ASN N 2.299 0.087 35 36 HIS N 2.020 0.037 36 37 THR N 2.287 0.025 37 38 LYS N 2.245 0.035 38 40 GLU N 2.203 0.048 39 41 ASP N 2.389 0.059 40 42 VAL N 2.224 0.050 41 43 VAL N 2.224 0.107 42 44 GLN N 2.254 0.090 43 45 MET N 2.244 0.139 44 46 LEU N 2.317 0.083 45 48 SER N 2.313 0.116 46 49 ALA N 2.296 0.213 47 50 THR N 1.868 0.080 48 52 ASP N 2.361 0.033 49 53 LEU N 2.282 0.148 50 54 HIS N 2.518 0.130 51 55 ALA N 2.485 0.051 52 56 VAL N 2.221 0.038 53 57 PHE N 2.130 0.068 54 59 ALA N 2.160 0.083 55 60 LYS N 1.964 0.036 56 61 ALA N 2.003 0.066 57 62 VAL N 2.072 0.039 58 63 ARG N 1.823 0.033 59 64 GLU N 1.939 0.040 60 65 LEU N 1.944 0.026 61 66 SER N 2.224 0.131 62 68 TRP N 2.011 0.057 63 69 GLN N 2.032 0.033 64 70 TYR N 2.066 0.113 65 71 VAL N 2.314 0.057 66 73 VAL N 2.284 0.122 67 74 THR N 2.040 0.050 68 75 CYS N 2.123 0.382 69 76 MET N 1.917 0.191 70 77 GLN N 2.115 0.042 71 78 GLU N 1.912 0.199 72 79 MET N 2.227 0.314 73 80 ASP N 2.088 0.081 74 81 VAL N 2.025 0.091 75 82 THR N 2.079 0.123 76 84 GLY N 1.953 0.043 77 85 LEU N 2.131 0.088 78 86 LYS N 2.114 0.053 79 87 LYS N 2.087 0.094 80 88 CYS N 2.215 0.073 81 89 ILE N 2.341 0.192 82 90 ARG N 2.291 0.151 83 91 VAL N 2.055 0.060 84 92 MET N 2.164 0.078 85 93 MET N 2.319 0.110 86 94 THR N 2.292 0.093 87 95 VAL N 2.320 0.150 88 96 GLN N 2.026 0.063 89 97 THR N 2.124 0.061 90 98 ASP N 2.166 0.080 91 99 VAL N 2.159 0.049 92 101 GLN N 2.127 0.094 93 102 ASP N 2.099 0.051 94 103 GLN N 2.242 0.074 95 104 ILE N 2.214 0.105 96 105 ARG N 2.163 0.061 97 106 HIS N 2.367 0.088 98 107 VAL N 2.189 0.083 99 108 TYR N 2.292 0.082 100 109 LEU N 2.172 0.188 101 110 GLU N 2.231 0.084 102 111 LYS N 1.811 0.158 103 112 VAL N 2.182 0.055 104 113 VAL N 1.960 0.027 105 114 VAL N 1.707 0.099 106 115 LEU N 1.864 0.135 107 116 ARG N 1.796 0.070 108 118 ASP N 1.247 0.038 109 119 LEU N 0.824 0.009 110 120 SER N 0.755 0.019 111 121 LEU N 0.785 0.017 112 122 THR N 0.675 0.017 113 123 LYS N 0.667 0.027 114 125 THR N 0.736 0.026 115 126 GLU N 0.733 0.008 116 127 LEU N 0.963 0.001 stop_ save_ save_T1_900 _Saveframe_category T1_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 900 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name "BsCM polypeptide_A" loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 MET N 1.542 0.027 2 3 ILE N 3.034 0.145 3 4 ARG N 3.287 0.130 4 5 GLY N 3.485 0.176 5 6 ILE N 3.287 0.169 6 7 ARG N 3.205 0.159 7 8 GLY N 2.984 0.096 8 9 ALA N 3.054 0.080 9 10 THR N 3.351 0.087 10 11 THR N 3.041 0.142 11 12 VAL N 3.208 0.088 12 13 GLU N 2.873 0.084 13 14 ARG N 2.319 0.028 14 15 ASP N 3.018 0.117 15 16 THR N 3.264 0.075 16 17 GLU N 2.869 0.070 17 18 GLU N 2.946 0.044 18 19 GLU N 2.883 0.097 19 20 ILE N 2.988 0.136 20 21 LEU N 2.840 0.089 21 22 GLN N 2.955 0.065 22 23 LYS N 2.967 0.086 23 24 THR N 3.059 0.124 24 25 LYS N 2.902 0.098 25 26 GLN N 3.138 0.066 26 27 LEU N 3.038 0.072 27 28 LEU N 3.157 0.149 28 29 GLU N 3.006 0.054 29 30 LYS N 2.869 0.048 30 31 ILE N 3.035 0.075 31 32 ILE N 2.643 0.137 32 33 GLU N 2.842 0.051 33 34 GLU N 3.054 0.067 34 35 ASN N 3.188 0.070 35 36 HIS N 2.944 0.114 36 37 THR N 3.052 0.047 37 38 LYS N 3.214 0.093 38 40 GLU N 3.181 0.076 39 41 ASP N 3.026 0.066 40 42 VAL N 2.963 0.073 41 43 VAL N 3.167 0.266 42 44 GLN N 3.393 0.115 43 45 MET N 3.417 0.089 44 46 LEU N 3.326 0.129 45 47 LEU N 2.757 0.159 46 48 SER N 3.159 0.089 47 49 ALA N 3.004 0.163 48 50 THR N 2.785 0.087 49 52 ASP N 2.876 0.056 50 53 LEU N 3.214 0.066 51 54 HIS N 3.555 0.202 52 55 ALA N 3.470 0.161 53 56 VAL N 3.196 0.037 54 57 PHE N 3.132 0.103 55 59 ALA N 2.870 0.145 56 60 LYS N 2.755 0.069 57 61 ALA N 2.916 0.082 58 62 VAL N 2.895 0.052 59 63 ARG N 2.532 0.039 60 64 GLU N 2.717 0.043 61 65 LEU N 2.485 0.037 62 66 SER N 2.709 0.083 63 68 TRP N 2.968 0.063 64 69 GLN N 2.945 0.071 65 70 TYR N 2.908 0.092 66 71 VAL N 3.232 0.078 67 73 VAL N 3.117 0.206 68 74 THR N 3.102 0.108 69 75 CYS N 2.889 0.139 70 76 MET N 3.091 0.200 71 77 GLN N 2.610 0.059 72 78 GLU N 2.973 0.207 73 79 MET N 2.796 0.289 74 80 ASP N 2.834 0.153 75 81 VAL N 3.206 0.090 76 82 THR N 3.163 0.113 77 84 GLY N 2.801 0.059 78 85 LEU N 2.736 0.083 79 86 LYS N 2.643 0.055 80 87 LYS N 3.065 0.175 81 88 CYS N 3.052 0.105 82 89 ILE N 3.212 0.108 83 90 ARG N 3.184 0.122 84 91 VAL N 3.384 0.160 85 92 MET N 3.103 0.085 86 93 MET N 3.348 0.125 87 94 THR N 2.981 0.078 88 95 VAL N 3.089 0.082 89 96 GLN N 3.111 0.150 90 97 THR N 3.001 0.097 91 98 ASP N 2.853 0.096 92 99 VAL N 3.214 0.114 93 101 GLN N 2.939 0.099 94 102 ASP N 2.908 0.056 95 103 GLN N 3.272 0.075 96 104 ILE N 3.140 0.098 97 105 ARG N 3.380 0.089 98 106 HIS N 3.531 0.073 99 107 VAL N 3.277 0.103 100 108 TYR N 3.085 0.065 101 109 LEU N 3.302 0.107 102 110 GLU N 3.156 0.099 103 111 LYS N 2.780 0.335 104 112 VAL N 2.979 0.094 105 113 VAL N 2.820 0.051 106 114 VAL N 2.747 0.176 107 115 LEU N 2.752 0.163 108 116 ARG N 2.268 0.065 109 118 ASP N 1.376 0.039 110 119 LEU N 0.963 0.019 111 120 SER N 0.866 0.020 112 121 LEU N 0.926 0.026 113 122 THR N 0.817 0.008 114 123 LYS N 0.736 0.012 115 124 ASN N 0.987 0.053 116 125 THR N 0.872 0.010 117 126 GLU N 0.790 0.005 118 127 LEU N 1.001 0.002 stop_ save_ save_15N_T2_set_600 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name "BsCM polypeptide_A" loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 2 MET N 0.0339 0.0017 2 3 ILE N 0.0253 0.0030 3 4 ARG N 0.0219 0.0014 4 5 GLY N 0.0170 0.0051 5 6 ILE N 0.0237 0.0017 6 7 ARG N 0.0173 0.0013 7 8 GLY N 0.0162 0.0014 8 9 ALA N 0.0201 0.0008 9 10 THR N 0.0238 0.0007 10 11 THR N 0.0230 0.0011 11 12 VAL N 0.0242 0.0011 12 13 GLU N 0.0270 0.0006 13 14 ARG N 0.0257 0.0007 14 15 ASP N 0.0261 0.0008 15 16 THR N 0.0239 0.0005 16 17 GLU N 0.0258 0.0006 17 18 GLU N 0.0252 0.0008 18 19 GLU N 0.0214 0.0004 19 20 ILE N 0.0221 0.0006 20 21 LEU N 0.0222 0.0007 21 22 GLN N 0.0236 0.0005 22 23 LYS N 0.0227 0.0005 23 24 THR N 0.0226 0.0012 24 25 LYS N 0.0261 0.0009 25 26 GLN N 0.0226 0.0011 26 27 LEU N 0.0206 0.0003 27 28 LEU N 0.0234 0.0014 28 29 GLU N 0.0244 0.0009 29 30 LYS N 0.0236 0.0007 30 31 ILE N 0.0230 0.0011 31 32 ILE N 0.0228 0.0010 32 33 GLU N 0.0229 0.0004 33 34 GLU N 0.0245 0.0010 34 35 ASN N 0.0236 0.0011 35 36 HIS N 0.0239 0.0016 36 37 THR N 0.0246 0.0006 37 38 LYS N 0.0255 0.0014 38 40 GLU N 0.0236 0.0008 39 41 ASP N 0.0201 0.0003 40 42 VAL N 0.0216 0.0011 41 43 VAL N 0.0203 0.0011 42 44 GLN N 0.0196 0.0011 43 45 MET N 0.0229 0.0007 44 46 LEU N 0.0213 0.0020 45 48 SER N 0.0238 0.0007 46 49 ALA N 0.0189 0.0008 47 50 THR N 0.0246 0.0022 48 52 ASP N 0.0219 0.0013 49 53 LEU N 0.0247 0.0008 50 54 HIS N 0.0272 0.0014 51 55 ALA N 0.0236 0.0007 52 56 VAL N 0.0220 0.0007 53 57 PHE N 0.0198 0.0008 54 59 ALA N 0.0194 0.0013 55 60 LYS N 0.0185 0.0013 56 61 ALA N 0.0218 0.0010 57 62 VAL N 0.0219 0.0009 58 63 ARG N 0.0213 0.0003 59 64 GLU N 0.0247 0.0009 60 65 LEU N 0.0230 0.0012 61 66 SER N 0.0278 0.0009 62 68 TRP N 0.0249 0.0011 63 69 GLN N 0.0231 0.0005 64 70 TYR N 0.0214 0.0008 65 71 VAL N 0.0214 0.0015 66 73 VAL N 0.0187 0.0010 67 74 THR N 0.0211 0.0007 68 75 CYS N 0.0168 0.0032 69 76 MET N 0.0266 0.0023 70 77 GLN N 0.0225 0.0021 71 78 GLU N 0.0161 0.0043 72 79 MET N 0.0205 0.0026 73 80 ASP N 0.0254 0.0009 74 81 VAL N 0.0250 0.0014 75 82 THR N 0.0212 0.0008 76 84 GLY N 0.0237 0.0009 77 85 LEU N 0.0179 0.0016 78 86 LYS N 0.0211 0.0009 79 87 LYS N 0.0227 0.0010 80 88 CYS N 0.0236 0.0009 81 89 ILE N 0.0219 0.0018 82 90 ARG N 0.0242 0.0012 83 91 VAL N 0.0261 0.0010 84 92 MET N 0.0218 0.0015 85 93 MET N 0.0227 0.0011 86 94 THR N 0.0245 0.0010 87 95 VAL N 0.0228 0.0010 88 96 GLN N 0.0219 0.0008 89 97 THR N 0.0222 0.0011 90 98 ASP N 0.0252 0.0014 91 99 VAL N 0.0214 0.0009 92 101 GLN N 0.0255 0.0010 93 102 ASP N 0.0238 0.0003 94 103 GLN N 0.0212 0.0008 95 104 ILE N 0.0230 0.0025 96 105 ARG N 0.0196 0.0008 97 106 HIS N 0.0235 0.0016 98 107 VAL N 0.0221 0.0015 99 108 TYR N 0.0227 0.0009 100 109 LEU N 0.0225 0.0009 101 110 GLU N 0.0232 0.0009 102 111 LYS N 0.0219 0.0024 103 112 VAL N 0.0201 0.0010 104 113 VAL N 0.0183 0.0008 105 114 VAL N 0.0140 0.0009 106 115 LEU N 0.0202 0.0011 107 116 ARG N 0.0211 0.0011 108 118 ASP N 0.0336 0.0016 109 119 LEU N 0.0534 0.0013 110 120 SER N 0.0634 0.0015 111 121 LEU N 0.0745 0.0029 112 122 THR N 0.0987 0.0062 113 123 LYS N 0.1049 0.0043 114 125 THR N 0.1291 0.0080 115 126 GLU N 0.1623 0.0084 116 127 LEU N 0.1550 0.0074 stop_ save_ save_15N_T2_set_900 _Saveframe_category T2_relaxation loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 900 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name "BsCM polypeptide_A" loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error 1 2 MET N 0.0331 0.0008 2 3 ILE N 0.0181 0.0014 3 4 ARG N 0.0201 0.0007 4 5 GLY N 0.0246 0.0015 5 6 ILE N 0.0197 0.0007 6 7 ARG N 0.0104 0.0007 7 8 GLY N 0.0153 0.0027 8 9 ALA N 0.0188 0.0007 9 10 THR N 0.0212 0.0004 10 11 THR N 0.0197 0.0008 11 12 VAL N 0.0188 0.0006 12 13 GLU N 0.0226 0.0006 13 14 ARG N 0.0202 0.0008 14 15 ASP N 0.0226 0.0006 15 16 THR N 0.0182 0.0008 16 17 GLU N 0.0212 0.0006 17 18 GLU N 0.0213 0.0005 18 19 GLU N 0.0164 0.0010 19 20 ILE N 0.0202 0.0005 20 21 LEU N 0.0208 0.0009 21 22 GLN N 0.0209 0.0008 22 23 LYS N 0.0201 0.0007 23 24 THR N 0.0197 0.0010 24 25 LYS N 0.0217 0.0006 25 26 GLN N 0.0209 0.0007 26 27 LEU N 0.0151 0.0009 27 28 LEU N 0.0202 0.0005 28 29 GLU N 0.0214 0.0008 29 30 LYS N 0.0168 0.0006 30 31 ILE N 0.0223 0.0012 31 32 ILE N 0.0227 0.0010 32 33 GLU N 0.0201 0.0007 33 34 GLU N 0.0217 0.0009 34 35 ASN N 0.0200 0.0015 35 36 HIS N 0.0181 0.0006 36 37 THR N 0.0184 0.0006 37 38 LYS N 0.0228 0.0011 38 40 GLU N 0.0192 0.0005 39 41 ASP N 0.0161 0.0009 40 42 VAL N 0.0161 0.0006 41 43 VAL N 0.0208 0.0010 42 44 GLN N 0.0144 0.0014 43 45 MET N 0.0199 0.0006 44 46 LEU N 0.0210 0.0011 45 48 SER N 0.0195 0.0004 46 49 ALA N 0.0166 0.0009 47 50 THR N 0.0239 0.0011 48 52 ASP N 0.0175 0.0007 49 53 LEU N 0.0138 0.0004 50 54 HIS N 0.0250 0.0006 51 55 ALA N 0.0188 0.0012 52 56 VAL N 0.0146 0.0002 53 57 PHE N 0.0160 0.0012 54 59 ALA N 0.0150 0.0008 55 60 LYS N 0.0157 0.0011 56 61 ALA N 0.0160 0.0006 57 62 VAL N 0.0145 0.0012 58 63 ARG N 0.0139 0.0006 59 64 GLU N 0.0133 0.0012 60 65 LEU N 0.0127 0.0008 61 66 SER N 0.0243 0.0010 62 68 TRP N 0.0196 0.0006 63 69 GLN N 0.0193 0.0009 64 70 TYR N 0.0199 0.0008 65 71 VAL N 0.0138 0.0011 66 73 VAL N 0.0199 0.0008 67 74 THR N 0.0184 0.0006 68 75 CYS N 0.0195 0.0010 69 76 MET N 0.0164 0.0011 70 77 GLN N 0.0234 0.0008 71 78 GLU N 0.0152 0.0014 72 79 MET N 0.0197 0.0024 73 80 ASP N 0.0204 0.0005 74 81 VAL N 0.0143 0.0014 75 82 THR N 0.0196 0.0013 76 84 GLY N 0.0199 0.0006 77 85 LEU N 0.0192 0.0010 78 86 LYS N 0.0203 0.0006 79 87 LYS N 0.0190 0.0007 80 88 CYS N 0.0222 0.0006 81 89 ILE N 0.0218 0.0017 82 90 ARG N 0.0203 0.0011 83 91 VAL N 0.0192 0.0016 84 92 MET N 0.0202 0.0007 85 93 MET N 0.0187 0.0008 86 94 THR N 0.0222 0.0006 87 95 VAL N 0.0186 0.0010 88 96 GLN N 0.0164 0.0004 89 97 THR N 0.0200 0.0009 90 98 ASP N 0.0216 0.0015 91 99 VAL N 0.0189 0.0009 92 101 GLN N 0.0196 0.0005 93 102 ASP N 0.0210 0.0004 94 103 GLN N 0.0176 0.0007 95 104 ILE N 0.0162 0.0010 96 105 ARG N 0.0182 0.0012 97 106 HIS N 0.0166 0.0007 98 107 VAL N 0.0166 0.0006 99 108 TYR N 0.0204 0.0008 100 109 LEU N 0.0201 0.0010 101 110 GLU N 0.0192 0.0010 102 111 LYS N 0.0201 0.0013 103 112 VAL N 0.0179 0.0008 104 113 VAL N 0.0124 0.0006 105 114 VAL N 0.0120 0.0007 106 115 LEU N 0.0150 0.0016 107 116 ARG N 0.0129 0.0013 108 118 ASP N 0.0308 0.0011 109 119 LEU N 0.0520 0.0021 110 120 SER N 0.0576 0.0014 111 121 LEU N 0.0648 0.0023 112 122 THR N 0.0792 0.0043 113 123 LYS N 0.0942 0.0046 114 125 THR N 0.1043 0.0059 115 126 GLU N 0.1510 0.0096 stop_ save_