data_4967 #Corrected using PDB structure: 1NSOA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 13 T N 127.16 116.74 # 43 W N 125.13 112.75 # 91 N N 119.05 108.87 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 22 T H 8.81 6.68 # 87 N H 9.46 7.38 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A -0.27 -0.04 N/A 0.55 -0.19 # #bmr4967.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4967.str file): #HA CA CB CO N HN #N/A -0.16 -0.16 N/A +0.55 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A +/-0.19 +/-0.25 N/A +/-0.52 +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A 0.939 0.989 N/A 0.663 0.432 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A 0.961 1.224 N/A 2.525 0.373 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor: Backbone resonance assignment of Mason-Pfizer Monkey Virus Protease ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Veverka Vaclav . . 2 Bauerova Helena . . 3 Zabransky Ales . . 4 Pichova Iva . . 5 Hrabal Richard . . stop_ _BMRB_accession_number 4967 _BMRB_flat_file_name bmr4967.str _Entry_type new _Submission_date 2001-03-06 _Accession_date 2001-03-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 96 '15N chemical shifts' 95 '13C chemical shifts' 204 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: Backbone resonance assignment of Mason-Pfizer Monkey Virus Protease ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Veverka Vaclav . . 2 Bauerova Helena . . 3 Zabransky Ales . . 4 Pichova Iva . . 5 Hrabal Richard . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 20 _Journal_issue 3 _Page_first 291 _Page_last 292 _Year 2001 save_ ################################## # Molecular system description # ################################## save_system_MPMV_PR12 _Saveframe_category molecular_system _Mol_system_name "Mason-Pfizer Monkey Virus protease" _Abbreviation_common "MPMV PR12" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "MPMV PR12 subunit 1" $MPMV_PR12_monomer "MPMV PR12 subunit 2" $MPMV_PR12_monomer stop_ _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 "MPMV PR12 subunit 1" 1 "MPMV PR12 subunit 2" stop_ loop_ _Biological_function "Aspartic protease" stop_ save_ ######################## # Monomeric polymers # ######################## save_MPMV_PR12_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Mason-Pfizer Monkey Virus protease" _Name_variant "C7A, C106A" _Abbreviation_common "MPMV PR12" _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; WVQPITAQKPSLTLWLDDKM FTGLIDTGADVTIIKLEDWP PNWPITDTLTNLRGIGQSNN PKQSSKYLTWRDKENNSGLI KPFVIPNLPVNLWGRDLLSQ MKIMMAS ; loop_ _Residue_seq_code _Residue_label 1 TRP 2 VAL 3 GLN 4 PRO 5 ILE 6 THR 7 ALA 8 GLN 9 LYS 10 PRO 11 SER 12 LEU 13 THR 14 LEU 15 TRP 16 LEU 17 ASP 18 ASP 19 LYS 20 MET 21 PHE 22 THR 23 GLY 24 LEU 25 ILE 26 ASP 27 THR 28 GLY 29 ALA 30 ASP 31 VAL 32 THR 33 ILE 34 ILE 35 LYS 36 LEU 37 GLU 38 ASP 39 TRP 40 PRO 41 PRO 42 ASN 43 TRP 44 PRO 45 ILE 46 THR 47 ASP 48 THR 49 LEU 50 THR 51 ASN 52 LEU 53 ARG 54 GLY 55 ILE 56 GLY 57 GLN 58 SER 59 ASN 60 ASN 61 PRO 62 LYS 63 GLN 64 SER 65 SER 66 LYS 67 TYR 68 LEU 69 THR 70 TRP 71 ARG 72 ASP 73 LYS 74 GLU 75 ASN 76 ASN 77 SER 78 GLY 79 LEU 80 ILE 81 LYS 82 PRO 83 PHE 84 VAL 85 ILE 86 PRO 87 ASN 88 LEU 89 PRO 90 VAL 91 ASN 92 LEU 93 TRP 94 GLY 95 ARG 96 ASP 97 LEU 98 LEU 99 SER 100 GLN 101 MET 102 LYS 103 ILE 104 MET 105 MET 106 ALA 107 SER stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-03-11 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 1NSO "A Chain A, Folded Monomer Of Protease FromMason-Pfizer Monkey Virus" 100.00 107 99 100 1e-58 GenBank AAA47731.1 "prt [Simian SRV-1 type D retrovirus]" 34.08 314 98 98 3e-58 GenBank AAC82574.1 "Pr95 [Mason-Pfizer monkey virus]" 11.75 911 98 98 3e-58 GenBank AAC82576.1 "RT-IN [Mason-Pfizer monkey virus]" 6.04 1771 98 98 3e-58 PIR PRLJMP "proteinase (EC 3.4.23.-) - Mason-Pfizer monkeyvirus" 34.08 314 98 98 3e-58 PIR PRLJSA "proteinase (EC 3.4.23.-) - simian AIDSretrovirus SRV-1" 34.08 314 98 98 3e-58 REF NP_954561.1 "p12 PR [Mason-Pfizer monkey virus]" 100.00 107 98 98 3e-58 REF NP_056892.1 "Pr95 [Mason-Pfizer monkey virus]" 11.75 911 98 98 3e-58 REF NP_056891.1 "RT-IN [Mason-Pfizer monkey virus]" 6.04 1771 98 98 3e-58 REF NP_954565.2 "RT-IN [Mason-Pfizer monkey virus]" 6.04 1771 98 98 3e-58 SWISS-PROT P04024 "VPRT_SRV1 Protease" 34.08 314 98 98 3e-58 SWISS-PROT P07570 "VPRT_MPMV Protease" 34.08 314 98 98 3e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MPMV_PR12_monomer . 11855 Viruses . "Beta retroviruses" "Mason-Pfizer Monkey Virus" 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 $MPMV_PR12_monomer '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 $MPMV_PR12_monomer 1.0 mM "[U-95% 13C; U-95% 15N]" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _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 ; 2D 1H-15N HSQC 3D CBCA(CO)NH 3D HNCACB 3D HNCA 3D HN(CO)CA 3D 1H-13C-1H HCCH-COSY ; save_ ####################### # Sample conditions # ####################### save_Conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.2 0.1 n/a temperature 310 0.1 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "MPMV PR12 subunit 1" 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 TRP CA C 57.67 0.1 1 2 1 TRP CB C 29.50 0.1 1 3 2 VAL H H 7.90 0.02 1 4 2 VAL CA C 61.24 0.1 1 5 2 VAL CB C 33.31 0.1 1 6 2 VAL N N 124.03 0.2 1 7 3 GLN H H 8.17 0.02 1 8 3 GLN CA C 53.51 0.1 1 9 3 GLN CB C 28.98 0.1 1 10 3 GLN N N 125.55 0.2 1 11 4 PRO CA C 62.96 0.1 1 12 4 PRO CB C 31.86 0.1 1 13 5 ILE H H 8.31 0.02 1 14 5 ILE CA C 61.21 0.1 1 15 5 ILE CB C 38.41 0.1 1 16 5 ILE N N 121.18 0.2 1 17 6 THR H H 8.09 0.02 1 18 6 THR CA C 61.36 0.1 1 19 6 THR CB C 69.82 0.1 1 20 6 THR N N 116.87 0.2 1 21 7 ALA H H 8.21 0.02 1 22 7 ALA CA C 52.52 0.1 1 23 7 ALA CB C 19.13 0.1 1 24 7 ALA N N 125.79 0.2 1 25 8 GLN H H 8.32 0.02 1 26 8 GLN CA C 55.53 0.1 1 27 8 GLN CB C 29.45 0.1 1 28 8 GLN N N 119.37 0.2 1 29 9 LYS H H 8.36 0.02 1 30 9 LYS CA C 54.15 0.1 1 31 9 LYS CB C 32.42 0.1 1 32 9 LYS N N 124.09 0.2 1 33 10 PRO CA C 62.83 0.1 1 34 10 PRO CB C 32.05 0.1 1 35 11 SER H H 8.31 0.02 1 36 11 SER CA C 57.13 0.1 1 37 11 SER CB C 65.46 0.1 1 38 11 SER N N 115.39 0.2 1 39 12 LEU H H 9.20 0.02 1 40 12 LEU CA C 54.79 0.1 1 41 12 LEU CB C 45.75 0.1 1 42 12 LEU N N 123.95 0.2 1 43 13 THR H H 8.87 0.02 1 44 13 THR CA C 61.65 0.1 1 45 13 THR CB C 70.04 0.1 1 46 13 THR N N 127.16 0.2 1 47 14 LEU H H 9.05 0.02 1 48 14 LEU CA C 53.37 0.1 1 49 14 LEU CB C 46.11 0.1 1 50 14 LEU N N 125.37 0.2 1 51 15 TRP H H 9.06 0.02 1 52 15 TRP CA C 58.34 0.1 1 53 15 TRP CB C 31.95 0.1 1 54 15 TRP N N 120.67 0.2 1 55 16 LEU H H 9.81 0.02 1 56 16 LEU CA C 53.17 0.1 1 57 16 LEU CB C 42.65 0.1 1 58 16 LEU N N 123.36 0.2 1 59 17 ASP H H 9.76 0.02 1 60 17 ASP CA C 55.27 0.1 1 61 17 ASP CB C 38.35 0.1 1 62 17 ASP N N 124.81 0.2 1 63 18 ASP CA C 56.07 0.1 1 64 18 ASP CB C 39.61 0.1 1 65 19 LYS H H 8.94 0.02 1 66 19 LYS CA C 55.28 0.1 1 67 19 LYS CB C 34.83 0.1 1 68 19 LYS N N 123.60 0.2 1 69 20 MET H H 8.59 0.02 1 70 20 MET CA C 56.76 0.1 1 71 20 MET CB C 34.19 0.1 1 72 20 MET N N 125.97 0.2 1 73 21 PHE H H 9.59 0.02 1 74 21 PHE CA C 57.26 0.1 1 75 21 PHE CB C 45.07 0.1 1 76 21 PHE N N 124.80 0.2 1 77 22 THR H H 9.00 0.02 1 78 22 THR CA C 61.29 0.1 1 79 22 THR CB C 70.61 0.1 1 80 22 THR N N 115.92 0.2 1 81 23 GLY H H 8.57 0.02 1 82 23 GLY CA C 45.30 0.1 1 83 23 GLY N N 113.63 0.2 1 84 24 LEU H H 8.48 0.02 1 85 24 LEU CA C 52.76 0.1 1 86 24 LEU CB C 43.28 0.1 1 87 24 LEU N N 118.94 0.2 1 88 25 ILE H H 8.71 0.02 1 89 25 ILE CA C 63.48 0.1 1 90 25 ILE CB C 38.74 0.1 1 91 25 ILE N N 122.38 0.2 1 92 26 ASP H H 9.09 0.02 1 93 26 ASP CA C 52.26 0.1 1 94 26 ASP CB C 40.94 0.1 1 95 26 ASP N N 128.44 0.2 1 96 27 THR H H 8.54 0.02 1 97 27 THR CA C 63.58 0.1 1 98 27 THR CB C 68.11 0.1 1 99 27 THR N N 113.31 0.2 1 100 28 GLY H H 8.48 0.02 1 101 28 GLY CA C 44.93 0.1 1 102 28 GLY N N 108.40 0.2 1 103 29 ALA H H 7.59 0.02 1 104 29 ALA CA C 50.50 0.1 1 105 29 ALA CB C 18.95 0.1 1 106 29 ALA N N 125.38 0.2 1 107 30 ASP H H 8.98 0.02 1 108 30 ASP CA C 56.92 0.1 1 109 30 ASP CB C 41.46 0.1 1 110 30 ASP N N 123.08 0.2 1 111 31 VAL H H 7.51 0.02 1 112 31 VAL CA C 58.80 0.1 1 113 31 VAL CB C 35.44 0.1 1 114 31 VAL N N 112.08 0.2 1 115 32 THR H H 9.07 0.02 1 116 32 THR CA C 64.36 0.1 1 117 32 THR CB C 70.29 0.1 1 118 32 THR N N 124.15 0.2 1 119 33 ILE H H 8.95 0.02 1 120 33 ILE CA C 59.51 0.1 1 121 33 ILE CB C 41.42 0.1 1 122 33 ILE N N 125.64 0.2 1 123 34 ILE H H 9.00 0.02 1 124 34 ILE CA C 56.21 0.1 1 125 34 ILE CB C 38.96 0.1 1 126 34 ILE N N 126.47 0.2 1 127 35 LYS H H 9.27 0.02 1 128 35 LYS CA C 55.31 0.1 1 129 35 LYS CB C 33.43 0.1 1 130 35 LYS N N 125.44 0.2 1 131 36 LEU H H 7.91 0.02 1 132 36 LEU CA C 57.55 0.1 1 133 36 LEU CB C 42.37 0.1 1 134 36 LEU N N 126.58 0.2 1 135 37 GLU H H 9.61 0.02 1 136 37 GLU CA C 59.64 0.1 1 137 37 GLU CB C 28.80 0.1 1 138 37 GLU N N 116.19 0.2 1 139 38 ASP H H 7.80 0.02 1 140 38 ASP CA C 53.72 0.1 1 141 38 ASP CB C 41.82 0.1 1 142 38 ASP N N 118.20 0.2 1 143 39 TRP H H 7.96 0.02 1 144 39 TRP CA C 54.47 0.1 1 145 39 TRP CB C 30.28 0.1 1 146 39 TRP N N 125.29 0.2 1 147 41 PRO CA C 64.33 0.1 1 148 41 PRO CB C 31.71 0.1 1 149 42 ASN H H 8.35 0.02 1 150 42 ASN CA C 52.76 0.1 1 151 42 ASN CB C 36.95 0.1 1 152 42 ASN N N 111.88 0.2 1 153 43 TRP H H 8.11 0.02 1 154 43 TRP CA C 52.64 0.1 1 155 43 TRP CB C 28.07 0.1 1 156 43 TRP N N 125.13 0.2 1 157 44 PRO CA C 63.61 0.1 1 158 44 PRO CB C 32.11 0.1 1 159 45 ILE H H 8.56 0.02 1 160 45 ILE CA C 59.35 0.1 1 161 45 ILE CB C 42.73 0.1 1 162 45 ILE N N 117.54 0.2 1 163 46 THR H H 8.96 0.02 1 164 46 THR CA C 59.34 0.1 1 165 46 THR CB C 71.62 0.1 1 166 46 THR N N 115.48 0.2 1 167 47 ASP H H 8.30 0.02 1 168 47 ASP CA C 54.98 0.1 1 169 47 ASP CB C 41.36 0.1 1 170 47 ASP N N 123.56 0.2 1 171 48 THR H H 8.24 0.02 1 172 48 THR CA C 61.23 0.1 1 173 48 THR CB C 70.32 0.1 1 174 48 THR N N 114.19 0.2 1 175 49 LEU H H 8.46 0.02 1 176 49 LEU CA C 54.51 0.1 1 177 49 LEU CB C 41.93 0.1 1 178 49 LEU N N 123.76 0.2 1 179 50 THR H H 8.05 0.02 1 180 50 THR CA C 61.77 0.1 1 181 50 THR CB C 69.57 0.1 1 182 50 THR N N 116.01 0.2 1 183 51 ASN H H 8.47 0.02 1 184 51 ASN CA C 52.73 0.1 1 185 51 ASN CB C 38.94 0.1 1 186 51 ASN N N 121.66 0.2 1 187 52 LEU H H 8.34 0.02 1 188 52 LEU CA C 54.43 0.1 1 189 52 LEU CB C 42.42 0.1 1 190 52 LEU N N 123.68 0.2 1 191 53 ARG H H 8.43 0.02 1 192 53 ARG CA C 56.38 0.1 1 193 53 ARG CB C 30.45 0.1 1 194 53 ARG N N 121.99 0.2 1 195 54 GLY H H 8.54 0.02 1 196 54 GLY CA C 45.44 0.1 1 197 54 GLY N N 109.85 0.2 1 198 55 ILE H H 7.81 0.02 1 199 55 ILE CA C 60.77 0.1 1 200 55 ILE CB C 38.44 0.1 1 201 55 ILE N N 119.05 0.2 1 202 56 GLY H H 8.46 0.02 1 203 56 GLY CA C 45.50 0.1 1 204 56 GLY N N 111.85 0.2 1 205 57 GLN H H 8.22 0.02 1 206 57 GLN CA C 56.17 0.1 1 207 57 GLN CB C 28.96 0.1 1 208 57 GLN N N 119.45 0.2 1 209 58 SER H H 8.29 0.02 1 210 58 SER CA C 58.49 0.1 1 211 58 SER CB C 63.73 0.1 1 212 58 SER N N 115.85 0.2 1 213 59 ASN H H 8.34 0.02 1 214 59 ASN CA C 52.86 0.1 1 215 59 ASN CB C 39.23 0.1 1 216 59 ASN N N 120.15 0.2 1 217 60 ASN H H 8.53 0.02 1 218 60 ASN CA C 52.43 0.1 1 219 60 ASN CB C 38.74 0.1 1 220 60 ASN N N 118.45 0.2 1 221 61 PRO CA C 63.18 0.1 1 222 61 PRO CB C 32.26 0.1 1 223 62 LYS H H 7.94 0.02 1 224 62 LYS CA C 54.55 0.1 1 225 62 LYS CB C 35.20 0.1 1 226 62 LYS N N 119.15 0.2 1 227 63 GLN H H 8.93 0.02 1 228 63 GLN CA C 53.87 0.1 1 229 63 GLN CB C 32.44 0.1 1 230 63 GLN N N 119.15 0.2 1 231 64 SER H H 8.14 0.02 1 232 64 SER CA C 59.03 0.1 1 233 64 SER CB C 64.10 0.1 1 234 64 SER N N 116.65 0.2 1 235 65 SER H H 8.74 0.02 1 236 65 SER CA C 61.08 0.1 1 237 65 SER CB C 63.57 0.1 1 238 65 SER N N 124.05 0.2 1 239 66 LYS H H 7.56 0.02 1 240 66 LYS CA C 53.59 0.1 1 241 66 LYS CB C 35.23 0.1 1 242 66 LYS N N 116.15 0.2 1 243 67 TYR H H 8.87 0.02 1 244 67 TYR CA C 60.42 0.1 1 245 67 TYR CB C 38.99 0.1 1 246 67 TYR N N 120.65 0.2 1 247 68 LEU H H 9.57 0.02 1 248 68 LEU CA C 52.57 0.1 1 249 68 LEU CB C 43.64 0.1 1 250 68 LEU N N 123.95 0.2 1 251 69 THR H H 8.72 0.02 1 252 69 THR CA C 61.43 0.1 1 253 69 THR CB C 69.78 0.1 1 254 69 THR N N 118.75 0.2 1 255 70 TRP H H 8.83 0.02 1 256 70 TRP CA C 53.43 0.1 1 257 70 TRP CB C 32.18 0.1 1 258 70 TRP N N 127.95 0.2 1 259 71 ARG H H 9.26 0.02 1 260 71 ARG CA C 55.33 0.1 1 261 71 ARG CB C 34.46 0.1 1 262 71 ARG N N 119.15 0.2 1 263 72 ASP H H 8.44 0.02 1 264 72 ASP CA C 51.75 0.1 1 265 72 ASP CB C 43.63 0.1 1 266 72 ASP N N 122.65 0.2 1 267 73 LYS H H 8.99 0.02 1 268 73 LYS CA C 58.53 0.1 1 269 73 LYS CB C 32.22 0.1 1 270 73 LYS N N 118.15 0.2 1 271 74 GLU H H 8.21 0.02 1 272 74 GLU CA C 55.69 0.1 1 273 74 GLU CB C 28.65 0.1 1 274 74 GLU N N 118.95 0.2 1 275 75 ASN H H 8.27 0.02 1 276 75 ASN CA C 55.10 0.1 1 277 75 ASN CB C 37.19 0.1 1 278 75 ASN N N 113.25 0.2 1 279 76 ASN H H 9.07 0.02 1 280 76 ASN CA C 54.18 0.1 1 281 76 ASN CB C 38.62 0.1 1 282 76 ASN N N 119.55 0.2 1 283 77 SER H H 7.86 0.02 1 284 77 SER CA C 55.97 0.1 1 285 77 SER CB C 67.59 0.1 1 286 77 SER N N 112.65 0.2 1 287 78 GLY H H 6.43 0.02 1 288 78 GLY CA C 45.43 0.1 1 289 78 GLY N N 107.05 0.2 1 290 79 LEU H H 8.31 0.02 1 291 79 LEU CA C 53.80 0.1 1 292 79 LEU CB C 46.41 0.1 1 293 79 LEU N N 120.85 0.2 1 294 80 ILE H H 9.58 0.02 1 295 80 ILE CA C 59.17 0.1 1 296 80 ILE CB C 44.01 0.1 1 297 80 ILE N N 117.55 0.2 1 298 81 LYS H H 9.47 0.02 1 299 81 LYS CA C 53.23 0.1 1 300 81 LYS CB C 33.45 0.1 1 301 81 LYS N N 128.25 0.2 1 302 82 PRO CA C 63.13 0.1 1 303 82 PRO CB C 33.61 0.1 1 304 83 PHE H H 8.72 0.02 1 305 83 PHE CA C 58.02 0.1 1 306 83 PHE CB C 40.82 0.1 1 307 83 PHE N N 118.75 0.2 1 308 84 VAL H H 8.37 0.02 1 309 84 VAL CA C 61.06 0.1 1 310 84 VAL CB C 34.16 0.1 1 311 84 VAL N N 120.95 0.2 1 312 85 ILE H H 8.13 0.02 1 313 85 ILE N N 123.35 0.2 1 314 86 PRO CA C 62.97 0.1 1 315 86 PRO CB C 32.37 0.1 1 316 87 ASN H H 9.65 0.02 1 317 87 ASN CA C 55.09 0.1 1 318 87 ASN CB C 37.19 0.1 1 319 87 ASN N N 114.75 0.2 1 320 88 LEU H H 7.88 0.02 1 321 88 LEU CA C 52.38 0.1 1 322 88 LEU CB C 43.35 0.1 1 323 88 LEU N N 122.25 0.2 1 324 89 PRO CA C 65.27 0.1 1 325 89 PRO CB C 32.15 0.1 1 326 90 VAL H H 7.16 0.02 1 327 90 VAL CA C 59.19 0.1 1 328 90 VAL CB C 35.63 0.1 1 329 90 VAL N N 111.95 0.2 1 330 91 ASN H H 7.88 0.02 1 331 91 ASN CA C 53.85 0.1 1 332 91 ASN CB C 37.72 0.1 1 333 91 ASN N N 119.05 0.2 1 334 92 LEU H H 8.89 0.02 1 335 92 LEU CA C 52.86 0.1 1 336 92 LEU CB C 45.07 0.1 1 337 92 LEU N N 122.05 0.2 1 338 93 TRP H H 8.79 0.02 1 339 93 TRP CA C 54.34 0.1 1 340 93 TRP CB C 30.63 0.1 1 341 93 TRP N N 123.35 0.2 1 342 94 GLY H H 8.56 0.02 1 343 94 GLY CA C 43.25 0.1 1 344 94 GLY N N 111.15 0.2 1 345 95 ARG H H 8.98 0.02 1 346 95 ARG CA C 60.06 0.1 1 347 95 ARG CB C 30.94 0.1 1 348 95 ARG N N 116.75 0.2 1 349 96 ASP H H 8.42 0.02 1 350 96 ASP CA C 56.37 0.1 1 351 96 ASP CB C 37.74 0.1 1 352 96 ASP N N 121.25 0.2 1 353 97 LEU H H 8.51 0.02 1 354 97 LEU CA C 56.53 0.1 1 355 97 LEU CB C 43.18 0.1 1 356 97 LEU N N 125.65 0.2 1 357 98 LEU H H 8.61 0.02 1 358 98 LEU CA C 57.56 0.1 1 359 98 LEU CB C 41.11 0.1 1 360 98 LEU N N 118.05 0.2 1 361 99 SER H H 8.65 0.02 1 362 99 SER CA C 61.01 0.1 1 363 99 SER CB C 63.06 0.1 1 364 99 SER N N 112.15 0.2 1 365 100 GLN H H 7.73 0.02 1 366 100 GLN CA C 56.57 0.1 1 367 100 GLN CB C 30.49 0.1 1 368 100 GLN N N 120.05 0.2 1 369 101 MET H H 7.64 0.02 1 370 101 MET CA C 56.21 0.1 1 371 101 MET CB C 34.29 0.1 1 372 101 MET N N 118.35 0.2 1 373 102 LYS H H 8.15 0.02 1 374 102 LYS CA C 56.51 0.1 1 375 102 LYS CB C 30.94 0.1 1 376 102 LYS N N 118.55 0.2 1 377 103 ILE H H 7.90 0.02 1 378 103 ILE CA C 61.10 0.1 1 379 103 ILE CB C 38.95 0.1 1 380 103 ILE N N 119.75 0.2 1 381 104 MET H H 8.32 0.02 1 382 104 MET CA C 55.13 0.1 1 383 104 MET CB C 32.81 0.1 1 384 104 MET N N 123.25 0.2 1 385 105 MET H H 8.33 0.02 1 386 105 MET CA C 55.15 0.1 1 387 105 MET CB C 33.08 0.1 1 388 105 MET N N 121.75 0.2 1 389 106 ALA H H 8.32 0.02 1 390 106 ALA CA C 52.22 0.1 1 391 106 ALA CB C 19.49 0.1 1 392 106 ALA N N 125.65 0.2 1 393 107 SER H H 8.00 0.02 1 394 107 SER CA C 59.40 0.1 1 395 107 SER CB C 64.95 0.1 1 stop_ save_