data_17363 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the B domain of talin ; _BMRB_accession_number 17363 _BMRB_flat_file_name bmr17363.str _Entry_type original _Submission_date 2010-12-14 _Accession_date 2010-12-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Gingras Alexandre R. . 3 Bate Neil . . 4 Barsukov Igor L. . 5 Roberts Gordon C.K. . 6 Critchley David R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 880 "13C chemical shifts" 647 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-30 original author . stop_ _Original_release_date 2012-08-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Complete Domain Structure of Talin' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Gingras Alexandre R. . 3 Bate Neil . . 4 Barsukov Igor L. . 5 Roberts Gordon C.K. . 6 Critchley David R. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword cytosketon 'focal adhesion' 'helical bundle' integrin talin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DomB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DomB $DomB stop_ _System_molecular_weight 17331.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DomB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DomB _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; GIDPFTGPLEMDSALSVVQN LEKDLQEIKAAARDGKLKPL PGETMEKCTQDLGNSTKAVS SAIAKLLGEIAQGNENYAGI AARDVAGGLRSLAQAARGVA ALTSDPAVQAIVLDTASDVL DKASSLIEEAKKASGHPGDP ESQQRLAQVAKAVTQALNRC VSCLPGQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1040 GLY 2 1041 ILE 3 1042 ASP 4 1043 PRO 5 1044 PHE 6 1045 THR 7 1046 GLY 8 1047 PRO 9 1048 LEU 10 1049 GLU 11 1050 MET 12 1051 ASP 13 1052 SER 14 1053 ALA 15 1054 LEU 16 1055 SER 17 1056 VAL 18 1057 VAL 19 1058 GLN 20 1059 ASN 21 1060 LEU 22 1061 GLU 23 1062 LYS 24 1063 ASP 25 1064 LEU 26 1065 GLN 27 1066 GLU 28 1067 ILE 29 1068 LYS 30 1069 ALA 31 1070 ALA 32 1071 ALA 33 1072 ARG 34 1073 ASP 35 1074 GLY 36 1075 LYS 37 1076 LEU 38 1077 LYS 39 1078 PRO 40 1079 LEU 41 1080 PRO 42 1081 GLY 43 1082 GLU 44 1083 THR 45 1084 MET 46 1085 GLU 47 1086 LYS 48 1087 CYS 49 1088 THR 50 1089 GLN 51 1090 ASP 52 1091 LEU 53 1092 GLY 54 1093 ASN 55 1094 SER 56 1095 THR 57 1096 LYS 58 1097 ALA 59 1098 VAL 60 1099 SER 61 1100 SER 62 1101 ALA 63 1102 ILE 64 1103 ALA 65 1104 LYS 66 1105 LEU 67 1106 LEU 68 1107 GLY 69 1108 GLU 70 1109 ILE 71 1110 ALA 72 1111 GLN 73 1112 GLY 74 1113 ASN 75 1114 GLU 76 1115 ASN 77 1116 TYR 78 1117 ALA 79 1118 GLY 80 1119 ILE 81 1120 ALA 82 1121 ALA 83 1122 ARG 84 1123 ASP 85 1124 VAL 86 1125 ALA 87 1126 GLY 88 1127 GLY 89 1128 LEU 90 1129 ARG 91 1130 SER 92 1131 LEU 93 1132 ALA 94 1133 GLN 95 1134 ALA 96 1135 ALA 97 1136 ARG 98 1137 GLY 99 1138 VAL 100 1139 ALA 101 1140 ALA 102 1141 LEU 103 1142 THR 104 1143 SER 105 1144 ASP 106 1145 PRO 107 1146 ALA 108 1147 VAL 109 1148 GLN 110 1149 ALA 111 1150 ILE 112 1151 VAL 113 1152 LEU 114 1153 ASP 115 1154 THR 116 1155 ALA 117 1156 SER 118 1157 ASP 119 1158 VAL 120 1159 LEU 121 1160 ASP 122 1161 LYS 123 1162 ALA 124 1163 SER 125 1164 SER 126 1165 LEU 127 1166 ILE 128 1167 GLU 129 1168 GLU 130 1169 ALA 131 1170 LYS 132 1171 LYS 133 1172 ALA 134 1173 SER 135 1174 GLY 136 1175 HIS 137 1176 PRO 138 1177 GLY 139 1178 ASP 140 1179 PRO 141 1180 GLU 142 1181 SER 143 1182 GLN 144 1183 GLN 145 1184 ARG 146 1185 LEU 147 1186 ALA 148 1187 GLN 149 1188 VAL 150 1189 ALA 151 1190 LYS 152 1191 ALA 153 1192 VAL 154 1193 THR 155 1194 GLN 156 1195 ALA 157 1196 LEU 158 1197 ASN 159 1198 ARG 160 1199 CYS 161 1200 VAL 162 1201 SER 163 1202 CYS 164 1203 LEU 165 1204 PRO 166 1205 GLY 167 1206 GLN 168 1207 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 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 2L7N "Nmr Structure Of The B Domain Of Talin" 100.00 168 100.00 100.00 4.57e-114 DBJ BAA82979 "KIAA1027 protein [Homo sapiens]" 96.43 2541 97.53 100.00 1.50e-96 DBJ BAC65702 "mKIAA1027 protein [Mus musculus]" 96.43 2564 100.00 100.00 6.62e-98 DBJ BAE27781 "unnamed protein product [Mus musculus]" 96.43 2541 100.00 100.00 5.59e-98 DBJ BAG09941 "talin-1 [synthetic construct]" 96.43 2541 97.53 100.00 1.50e-96 EMBL CAA39588 "talin [Mus musculus]" 96.43 2541 100.00 100.00 5.28e-98 GB AAF27330 "talin [Homo sapiens]" 96.43 2540 97.53 100.00 1.51e-96 GB AAH42923 "Talin 1 [Homo sapiens]" 96.43 2541 97.53 100.00 1.51e-96 GB AAI00263 "Tln1 protein [Rattus norvegicus]" 96.43 1552 98.15 99.38 4.94e-97 GB AAI50811 "Talin 1 [Mus musculus]" 96.43 2541 100.00 100.00 5.59e-98 GB EAW58352 "talin 1, isoform CRA_a [Homo sapiens]" 96.43 2541 97.53 100.00 1.50e-96 PRF 1617167A talin 96.43 2541 100.00 100.00 5.28e-98 REF NP_006280 "talin-1 [Homo sapiens]" 96.43 2541 97.53 100.00 1.50e-96 REF NP_035732 "talin-1 [Mus musculus]" 96.43 2541 100.00 100.00 5.59e-98 REF XP_002819691 "PREDICTED: talin-1 [Pongo abelii]" 96.43 2223 97.53 100.00 6.80e-97 REF XP_003470907 "PREDICTED: talin-1 isoform X4 [Cavia porcellus]" 96.43 2541 96.91 100.00 3.58e-96 REF XP_003732055 "PREDICTED: talin-1 isoform X4 [Callithrix jacchus]" 96.43 2541 96.91 98.77 1.00e-95 SP P26039 "RecName: Full=Talin-1" 96.43 2541 100.00 100.00 5.59e-98 SP Q9Y490 "RecName: Full=Talin-1" 96.43 2541 97.53 100.00 1.50e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DomB 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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 $DomB 'recombinant technology' . Escherichia coli BL21(DE3)* 'Pet 151' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DomB 1 mM '[U-100% 15N]' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' DTT 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_double _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DomB 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' DTT 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' 'geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'geometry optimization' 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $double save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $double save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $double save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 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) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $15N $double stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DomB _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1041 2 ILE HA H 4.125 0.020 1 2 1041 2 ILE HB H 1.732 0.020 1 3 1041 2 ILE HG12 H 1.341 0.020 1 4 1041 2 ILE HG13 H 1.066 0.020 1 5 1041 2 ILE HG2 H 0.790 0.020 1 6 1041 2 ILE HD1 H 0.759 0.020 1 7 1041 2 ILE C C 175.714 0.200 1 8 1041 2 ILE CA C 60.925 0.200 1 9 1041 2 ILE CB C 38.936 0.200 1 10 1041 2 ILE CG1 C 27.062 0.200 1 11 1041 2 ILE CG2 C 17.417 0.200 1 12 1041 2 ILE CD1 C 13.018 0.200 1 13 1042 3 ASP H H 8.386 0.020 1 14 1042 3 ASP HA H 4.787 0.020 1 15 1042 3 ASP HB2 H 2.653 0.020 1 16 1042 3 ASP HB3 H 2.435 0.020 1 17 1042 3 ASP CA C 52.289 0.200 1 18 1042 3 ASP CB C 41.099 0.005 1 19 1042 3 ASP N N 126.383 0.200 1 20 1043 4 PRO HA H 4.276 0.020 1 21 1043 4 PRO HB2 H 2.069 0.020 1 22 1043 4 PRO HB3 H 1.599 0.020 1 23 1043 4 PRO HG2 H 1.684 0.020 1 24 1043 4 PRO HG3 H 1.838 0.020 1 25 1043 4 PRO HD2 H 3.770 0.020 1 26 1043 4 PRO HD3 H 3.635 0.020 1 27 1043 4 PRO C C 176.613 0.200 1 28 1043 4 PRO CA C 63.246 0.200 1 29 1043 4 PRO CB C 31.933 0.006 1 30 1043 4 PRO CG C 26.891 0.200 1 31 1043 4 PRO CD C 50.693 0.200 1 32 1044 5 PHE H H 8.309 0.020 1 33 1044 5 PHE HA H 4.647 0.020 1 34 1044 5 PHE HB2 H 3.135 0.020 1 35 1044 5 PHE HB3 H 3.018 0.020 1 36 1044 5 PHE HD1 H 7.218 0.020 3 37 1044 5 PHE HD2 H 7.218 0.020 3 38 1044 5 PHE HE1 H 7.262 0.020 3 39 1044 5 PHE HE2 H 7.262 0.020 3 40 1044 5 PHE C C 176.146 0.200 1 41 1044 5 PHE CA C 57.708 0.200 1 42 1044 5 PHE CB C 38.901 0.004 1 43 1044 5 PHE CD1 C 132.240 0.200 3 44 1044 5 PHE CD2 C 132.240 0.200 3 45 1044 5 PHE CE1 C 131.760 0.200 3 46 1044 5 PHE CE2 C 131.760 0.200 3 47 1044 5 PHE N N 119.668 0.200 1 48 1045 6 THR H H 7.916 0.020 1 49 1045 6 THR HA H 4.242 0.020 1 50 1045 6 THR HB H 4.197 0.020 1 51 1045 6 THR HG2 H 1.122 0.020 1 52 1045 6 THR C C 174.977 0.200 1 53 1045 6 THR CA C 62.185 0.200 1 54 1045 6 THR CB C 69.815 0.200 1 55 1045 6 THR CG2 C 21.606 0.200 1 56 1045 6 THR N N 114.577 0.200 1 57 1046 7 GLY H H 8.111 0.020 1 58 1046 7 GLY HA2 H 3.941 0.020 1 59 1046 7 GLY HA3 H 3.900 0.020 1 60 1046 7 GLY CA C 46.476 0.003 1 61 1046 7 GLY N N 110.334 0.200 1 62 1047 8 PRO HA H 4.289 0.020 1 63 1047 8 PRO HB2 H 2.234 0.020 1 64 1047 8 PRO HB3 H 1.896 0.020 1 65 1047 8 PRO HG2 H 1.999 0.020 1 66 1047 8 PRO HG3 H 1.948 0.020 1 67 1047 8 PRO HD2 H 3.572 0.020 1 68 1047 8 PRO HD3 H 3.483 0.020 1 69 1047 8 PRO CA C 64.239 0.200 1 70 1047 8 PRO CB C 31.788 0.012 1 71 1047 8 PRO CG C 27.454 0.002 1 72 1047 8 PRO CD C 50.230 0.200 1 73 1048 9 LEU H H 7.927 0.020 1 74 1048 9 LEU HA H 4.229 0.020 1 75 1048 9 LEU HB2 H 1.695 0.020 1 76 1048 9 LEU HB3 H 1.574 0.020 1 77 1048 9 LEU HG H 1.606 0.020 1 78 1048 9 LEU HD1 H 0.861 0.020 1 79 1048 9 LEU HD2 H 0.808 0.020 1 80 1048 9 LEU CA C 56.724 0.200 1 81 1048 9 LEU CB C 41.654 0.001 1 82 1048 9 LEU CG C 27.089 0.200 1 83 1048 9 LEU CD1 C 25.013 0.200 1 84 1048 9 LEU CD2 C 23.573 0.200 1 85 1048 9 LEU N N 120.653 0.200 1 86 1049 10 GLU H H 8.407 0.020 1 87 1049 10 GLU HA H 4.023 0.020 1 88 1049 10 GLU HB2 H 1.889 0.020 1 89 1049 10 GLU HB3 H 2.001 0.020 1 90 1049 10 GLU HG2 H 2.255 0.020 1 91 1049 10 GLU HG3 H 2.167 0.020 1 92 1049 10 GLU C C 180.154 0.200 1 93 1049 10 GLU CA C 58.948 0.200 1 94 1049 10 GLU CB C 29.367 0.200 1 95 1049 10 GLU CG C 36.633 0.003 1 96 1049 10 GLU N N 120.528 0.200 1 97 1050 11 MET H H 8.433 0.020 1 98 1050 11 MET HA H 3.948 0.020 1 99 1050 11 MET HB2 H 1.733 0.020 1 100 1050 11 MET HB3 H 2.138 0.020 1 101 1050 11 MET HG2 H 2.578 0.020 1 102 1050 11 MET HG3 H 2.374 0.020 1 103 1050 11 MET HE H 1.832 0.020 1 104 1050 11 MET C C 177.350 0.200 1 105 1050 11 MET CA C 59.584 0.200 1 106 1050 11 MET CB C 32.009 0.200 1 107 1050 11 MET CG C 34.218 0.200 1 108 1050 11 MET CE C 18.031 0.200 1 109 1050 11 MET N N 118.605 0.200 1 110 1051 12 ASP H H 7.776 0.020 1 111 1051 12 ASP HA H 4.366 0.020 1 112 1051 12 ASP HB2 H 2.571 0.020 1 113 1051 12 ASP HB3 H 2.656 0.020 1 114 1051 12 ASP C C 179.453 0.200 1 115 1051 12 ASP CA C 57.600 0.200 1 116 1051 12 ASP CB C 40.144 0.200 1 117 1051 12 ASP N N 118.919 0.200 1 118 1052 13 SER H H 8.206 0.020 1 119 1052 13 SER HA H 4.175 0.020 1 120 1052 13 SER HB2 H 3.930 0.020 1 121 1052 13 SER HB3 H 3.881 0.020 1 122 1052 13 SER C C 176.487 0.200 1 123 1052 13 SER CA C 61.401 0.200 1 124 1052 13 SER CB C 62.438 0.001 1 125 1052 13 SER N N 116.662 0.200 1 126 1053 14 ALA H H 7.981 0.020 1 127 1053 14 ALA HA H 3.954 0.020 1 128 1053 14 ALA HB H 1.351 0.020 1 129 1053 14 ALA C C 178.896 0.200 1 130 1053 14 ALA CA C 55.094 0.200 1 131 1053 14 ALA CB C 18.089 0.200 1 132 1053 14 ALA N N 123.952 0.200 1 133 1054 15 LEU H H 7.975 0.020 1 134 1054 15 LEU HA H 3.898 0.020 1 135 1054 15 LEU HB2 H 1.559 0.020 1 136 1054 15 LEU HB3 H 1.883 0.020 1 137 1054 15 LEU HG H 1.501 0.020 1 138 1054 15 LEU HD1 H 0.945 0.020 1 139 1054 15 LEU HD2 H 0.876 0.020 1 140 1054 15 LEU C C 178.339 0.200 1 141 1054 15 LEU CA C 58.183 0.200 1 142 1054 15 LEU CB C 41.482 0.200 1 143 1054 15 LEU CG C 26.853 0.200 1 144 1054 15 LEU CD1 C 24.337 0.200 1 145 1054 15 LEU CD2 C 25.924 0.200 1 146 1054 15 LEU N N 118.044 0.200 1 147 1055 16 SER H H 7.816 0.020 1 148 1055 16 SER HA H 4.188 0.020 1 149 1055 16 SER HB2 H 3.952 0.020 1 150 1055 16 SER HB3 H 3.953 0.020 1 151 1055 16 SER C C 177.152 0.200 1 152 1055 16 SER CA C 61.679 0.200 1 153 1055 16 SER CB C 62.691 0.011 1 154 1055 16 SER N N 113.737 0.200 1 155 1056 17 VAL H H 7.902 0.020 1 156 1056 17 VAL HA H 3.623 0.020 1 157 1056 17 VAL HB H 2.280 0.020 1 158 1056 17 VAL HG1 H 0.941 0.020 1 159 1056 17 VAL HG2 H 1.018 0.020 1 160 1056 17 VAL C C 178.880 0.200 1 161 1056 17 VAL CA C 66.837 0.200 1 162 1056 17 VAL CB C 31.269 0.200 1 163 1056 17 VAL CG1 C 22.272 0.200 1 164 1056 17 VAL CG2 C 22.816 0.200 1 165 1056 17 VAL N N 121.806 0.200 1 166 1057 18 VAL H H 8.024 0.020 1 167 1057 18 VAL HA H 3.432 0.020 1 168 1057 18 VAL HB H 2.155 0.020 1 169 1057 18 VAL HG1 H 0.947 0.020 1 170 1057 18 VAL HG2 H 0.947 0.020 1 171 1057 18 VAL C C 177.528 0.200 1 172 1057 18 VAL CA C 67.873 0.200 1 173 1057 18 VAL CB C 31.474 0.200 1 174 1057 18 VAL CG1 C 23.495 0.200 1 175 1057 18 VAL CG2 C 23.495 0.200 1 176 1057 18 VAL N N 119.590 0.200 1 177 1058 19 GLN H H 8.595 0.020 1 178 1058 19 GLN HA H 4.146 0.020 1 179 1058 19 GLN HB2 H 1.936 0.020 1 180 1058 19 GLN HB3 H 2.197 0.020 1 181 1058 19 GLN HG2 H 2.558 0.020 1 182 1058 19 GLN HG3 H 2.362 0.020 1 183 1058 19 GLN HE21 H 7.417 0.020 1 184 1058 19 GLN HE22 H 6.738 0.020 1 185 1058 19 GLN C C 179.958 0.200 1 186 1058 19 GLN CA C 59.092 0.200 1 187 1058 19 GLN CB C 27.979 0.002 1 188 1058 19 GLN CG C 34.253 0.200 1 189 1058 19 GLN N N 118.425 0.200 1 190 1058 19 GLN NE2 N 111.029 0.020 1 191 1059 20 ASN H H 8.141 0.020 1 192 1059 20 ASN HA H 4.491 0.020 1 193 1059 20 ASN HB2 H 2.863 0.020 1 194 1059 20 ASN HB3 H 2.950 0.020 1 195 1059 20 ASN HD21 H 7.431 0.020 1 196 1059 20 ASN HD22 H 6.903 0.020 1 197 1059 20 ASN C C 177.830 0.200 1 198 1059 20 ASN CA C 56.395 0.200 1 199 1059 20 ASN CB C 38.149 0.200 1 200 1059 20 ASN N N 119.555 0.200 1 201 1059 20 ASN ND2 N 112.877 0.006 1 202 1060 21 LEU H H 8.361 0.020 1 203 1060 21 LEU HA H 4.151 0.020 1 204 1060 21 LEU HB2 H 1.165 0.020 1 205 1060 21 LEU HB3 H 2.247 0.020 1 206 1060 21 LEU HG H 2.033 0.020 1 207 1060 21 LEU HD1 H 0.676 0.020 1 208 1060 21 LEU HD2 H 0.865 0.020 1 209 1060 21 LEU C C 179.268 0.200 1 210 1060 21 LEU CA C 57.655 0.200 1 211 1060 21 LEU CB C 42.564 0.007 1 212 1060 21 LEU CG C 25.995 0.200 1 213 1060 21 LEU CD1 C 26.206 0.200 1 214 1060 21 LEU CD2 C 22.794 0.200 1 215 1060 21 LEU N N 121.766 0.200 1 216 1061 22 GLU H H 8.223 0.020 1 217 1061 22 GLU HA H 3.842 0.020 1 218 1061 22 GLU HB2 H 2.199 0.020 1 219 1061 22 GLU HB3 H 2.103 0.020 1 220 1061 22 GLU HG2 H 2.535 0.020 1 221 1061 22 GLU HG3 H 2.191 0.020 1 222 1061 22 GLU C C 179.239 0.200 1 223 1061 22 GLU CA C 60.376 0.200 1 224 1061 22 GLU CB C 29.371 0.200 1 225 1061 22 GLU CG C 36.467 0.200 1 226 1061 22 GLU N N 119.364 0.200 1 227 1062 23 LYS H H 7.415 0.020 1 228 1062 23 LYS HA H 3.981 0.020 1 229 1062 23 LYS HB2 H 1.974 0.020 1 230 1062 23 LYS HB3 H 1.974 0.020 1 231 1062 23 LYS HG2 H 1.583 0.020 1 232 1062 23 LYS HG3 H 1.444 0.020 1 233 1062 23 LYS HD2 H 1.659 0.020 1 234 1062 23 LYS HD3 H 1.659 0.020 1 235 1062 23 LYS HE2 H 2.921 0.020 1 236 1062 23 LYS HE3 H 2.921 0.020 1 237 1062 23 LYS C C 179.545 0.200 1 238 1062 23 LYS CA C 59.557 0.200 1 239 1062 23 LYS CB C 31.806 0.200 1 240 1062 23 LYS CG C 24.921 0.003 1 241 1062 23 LYS CD C 29.066 0.003 1 242 1062 23 LYS CE C 42.137 0.200 1 243 1062 23 LYS N N 120.372 0.200 1 244 1063 24 ASP H H 8.270 0.020 1 245 1063 24 ASP HA H 4.314 0.020 1 246 1063 24 ASP HB2 H 2.909 0.020 1 247 1063 24 ASP HB3 H 2.527 0.020 1 248 1063 24 ASP C C 179.469 0.200 1 249 1063 24 ASP CA C 57.494 0.200 1 250 1063 24 ASP CB C 39.981 0.009 1 251 1063 24 ASP N N 121.384 0.200 1 252 1064 25 LEU H H 8.414 0.020 1 253 1064 25 LEU HA H 4.036 0.020 1 254 1064 25 LEU HB2 H 1.844 0.020 1 255 1064 25 LEU HB3 H 1.603 0.020 1 256 1064 25 LEU HG H 1.713 0.020 1 257 1064 25 LEU HD1 H 0.841 0.020 1 258 1064 25 LEU HD2 H 0.807 0.020 1 259 1064 25 LEU C C 179.253 0.200 1 260 1064 25 LEU CA C 56.944 0.200 1 261 1064 25 LEU CB C 40.756 0.200 1 262 1064 25 LEU CG C 28.059 0.200 1 263 1064 25 LEU CD1 C 25.249 0.200 1 264 1064 25 LEU CD2 C 23.674 0.200 1 265 1064 25 LEU N N 120.434 0.200 1 266 1065 26 GLN H H 7.858 0.020 1 267 1065 26 GLN HA H 3.967 0.020 1 268 1065 26 GLN HB2 H 2.283 0.020 1 269 1065 26 GLN HB3 H 2.149 0.020 1 270 1065 26 GLN HG2 H 2.505 0.020 1 271 1065 26 GLN HG3 H 2.527 0.020 1 272 1065 26 GLN C C 179.584 0.200 1 273 1065 26 GLN CA C 59.360 0.200 1 274 1065 26 GLN CB C 27.716 0.004 1 275 1065 26 GLN CG C 33.491 0.001 1 276 1065 26 GLN N N 118.887 0.200 1 277 1066 27 GLU H H 7.676 0.020 1 278 1066 27 GLU HA H 4.104 0.020 1 279 1066 27 GLU HB2 H 2.208 0.020 1 280 1066 27 GLU HB3 H 2.115 0.020 1 281 1066 27 GLU HG2 H 2.410 0.020 1 282 1066 27 GLU HG3 H 2.214 0.020 1 283 1066 27 GLU C C 179.714 0.200 1 284 1066 27 GLU CA C 59.283 0.200 1 285 1066 27 GLU CB C 29.125 0.200 1 286 1066 27 GLU CG C 36.265 0.007 1 287 1066 27 GLU N N 120.764 0.200 1 288 1067 28 ILE H H 8.291 0.020 1 289 1067 28 ILE HA H 3.713 0.020 1 290 1067 28 ILE HB H 2.021 0.020 1 291 1067 28 ILE HG12 H 1.670 0.020 1 292 1067 28 ILE HG13 H 1.139 0.020 1 293 1067 28 ILE HG2 H 0.864 0.020 1 294 1067 28 ILE HD1 H 0.743 0.020 1 295 1067 28 ILE C C 177.657 0.200 1 296 1067 28 ILE CA C 64.504 0.200 1 297 1067 28 ILE CB C 37.514 0.200 1 298 1067 28 ILE CG1 C 29.368 0.200 1 299 1067 28 ILE CG2 C 19.238 0.200 1 300 1067 28 ILE CD1 C 12.812 0.200 1 301 1067 28 ILE N N 123.284 0.200 1 302 1068 29 LYS H H 8.489 0.020 1 303 1068 29 LYS HA H 3.768 0.020 1 304 1068 29 LYS HB2 H 1.813 0.020 1 305 1068 29 LYS HB3 H 1.813 0.020 1 306 1068 29 LYS HG2 H 1.533 0.020 1 307 1068 29 LYS HG3 H 1.354 0.020 1 308 1068 29 LYS HD2 H 1.587 0.020 1 309 1068 29 LYS HD3 H 1.587 0.020 1 310 1068 29 LYS HE2 H 2.730 0.020 1 311 1068 29 LYS HE3 H 2.818 0.020 1 312 1068 29 LYS C C 179.181 0.200 1 313 1068 29 LYS CA C 60.176 0.200 1 314 1068 29 LYS CB C 32.730 0.200 1 315 1068 29 LYS CG C 26.515 0.004 1 316 1068 29 LYS CD C 29.960 0.004 1 317 1068 29 LYS CE C 41.975 0.200 1 318 1068 29 LYS N N 119.896 0.200 1 319 1069 30 ALA H H 7.533 0.020 1 320 1069 30 ALA HA H 3.936 0.020 1 321 1069 30 ALA HB H 1.433 0.020 1 322 1069 30 ALA C C 179.225 0.200 1 323 1069 30 ALA CA C 55.115 0.200 1 324 1069 30 ALA CB C 17.725 0.200 1 325 1069 30 ALA N N 121.736 0.200 1 326 1070 31 ALA H H 7.932 0.020 1 327 1070 31 ALA HA H 4.009 0.020 1 328 1070 31 ALA HB H 1.311 0.020 1 329 1070 31 ALA C C 180.208 0.200 1 330 1070 31 ALA CA C 54.960 0.200 1 331 1070 31 ALA CB C 17.755 0.200 1 332 1070 31 ALA N N 120.846 0.200 1 333 1071 32 ALA H H 8.601 0.020 1 334 1071 32 ALA HA H 4.020 0.020 1 335 1071 32 ALA HB H 1.261 0.020 1 336 1071 32 ALA C C 181.023 0.200 1 337 1071 32 ALA CA C 54.500 0.200 1 338 1071 32 ALA CB C 16.870 0.200 1 339 1071 32 ALA N N 121.095 0.200 1 340 1072 33 ARG H H 7.921 0.020 1 341 1072 33 ARG HA H 4.016 0.020 1 342 1072 33 ARG HB2 H 1.957 0.020 1 343 1072 33 ARG HB3 H 1.898 0.020 1 344 1072 33 ARG HG2 H 1.768 0.020 1 345 1072 33 ARG HG3 H 1.569 0.020 1 346 1072 33 ARG HD2 H 3.148 0.020 1 347 1072 33 ARG HD3 H 3.148 0.020 1 348 1072 33 ARG C C 177.857 0.200 1 349 1072 33 ARG CA C 59.008 0.200 1 350 1072 33 ARG CB C 29.836 0.001 1 351 1072 33 ARG CG C 26.930 0.005 1 352 1072 33 ARG CD C 43.518 0.200 1 353 1072 33 ARG N N 119.826 0.200 1 354 1073 34 ASP H H 7.522 0.020 1 355 1073 34 ASP HA H 4.718 0.020 1 356 1073 34 ASP HB2 H 2.503 0.020 1 357 1073 34 ASP HB3 H 2.781 0.020 1 358 1073 34 ASP C C 176.321 0.200 1 359 1073 34 ASP CA C 54.155 0.200 1 360 1073 34 ASP CB C 41.459 0.200 1 361 1073 34 ASP N N 116.490 0.200 1 362 1074 35 GLY H H 7.822 0.020 1 363 1074 35 GLY HA2 H 3.991 0.020 1 364 1074 35 GLY HA3 H 4.021 0.020 1 365 1074 35 GLY C C 175.809 0.200 1 366 1074 35 GLY CA C 46.715 0.200 1 367 1074 35 GLY N N 108.756 0.200 1 368 1075 36 LYS H H 8.280 0.020 1 369 1075 36 LYS HA H 4.360 0.020 1 370 1075 36 LYS HB2 H 1.479 0.020 1 371 1075 36 LYS HB3 H 2.024 0.020 1 372 1075 36 LYS HG2 H 1.216 0.020 1 373 1075 36 LYS HG3 H 1.308 0.020 1 374 1075 36 LYS HD2 H 1.576 0.020 1 375 1075 36 LYS HD3 H 1.607 0.020 1 376 1075 36 LYS HE2 H 2.913 0.020 1 377 1075 36 LYS HE3 H 2.913 0.020 1 378 1075 36 LYS C C 175.832 0.200 1 379 1075 36 LYS CA C 55.063 0.200 1 380 1075 36 LYS CB C 33.872 0.002 1 381 1075 36 LYS CG C 24.828 0.003 1 382 1075 36 LYS CD C 28.991 0.006 1 383 1075 36 LYS CE C 42.239 0.200 1 384 1075 36 LYS N N 116.797 0.200 1 385 1076 37 LEU H H 7.830 0.020 1 386 1076 37 LEU HA H 4.267 0.020 1 387 1076 37 LEU HB2 H 1.880 0.020 1 388 1076 37 LEU HB3 H 0.884 0.020 1 389 1076 37 LEU HG H 1.195 0.020 1 390 1076 37 LEU HD1 H 0.739 0.020 1 391 1076 37 LEU HD2 H 0.892 0.020 1 392 1076 37 LEU C C 174.762 0.200 1 393 1076 37 LEU CA C 54.795 0.200 1 394 1076 37 LEU CB C 41.864 0.200 1 395 1076 37 LEU CG C 27.480 0.200 1 396 1076 37 LEU CD1 C 25.817 0.200 1 397 1076 37 LEU CD2 C 23.822 0.200 1 398 1076 37 LEU N N 123.516 0.200 1 399 1077 38 LYS H H 8.468 0.020 1 400 1077 38 LYS HA H 4.836 0.020 1 401 1077 38 LYS HB2 H 1.763 0.020 1 402 1077 38 LYS HB3 H 1.581 0.020 1 403 1077 38 LYS HG2 H 1.378 0.020 1 404 1077 38 LYS HG3 H 1.275 0.020 1 405 1077 38 LYS HD2 H 1.623 0.020 1 406 1077 38 LYS HD3 H 1.564 0.020 1 407 1077 38 LYS HE2 H 2.906 0.020 1 408 1077 38 LYS HE3 H 2.906 0.020 1 409 1077 38 LYS CA C 52.643 0.200 1 410 1077 38 LYS CB C 33.531 0.200 1 411 1077 38 LYS CG C 24.278 0.003 1 412 1077 38 LYS CD C 28.642 0.003 1 413 1077 38 LYS CE C 42.217 0.200 1 414 1077 38 LYS N N 127.685 0.200 1 415 1078 39 PRO HA H 4.211 0.020 1 416 1078 39 PRO HB2 H 2.120 0.020 1 417 1078 39 PRO HB3 H 1.949 0.020 1 418 1078 39 PRO HG2 H 1.759 0.020 1 419 1078 39 PRO HG3 H 1.988 0.020 1 420 1078 39 PRO HD2 H 3.735 0.020 1 421 1078 39 PRO HD3 H 3.502 0.020 1 422 1078 39 PRO CA C 62.607 0.200 1 423 1078 39 PRO CB C 32.428 0.002 1 424 1078 39 PRO CG C 27.398 0.200 1 425 1078 39 PRO CD C 50.358 0.200 1 426 1079 40 LEU H H 8.844 0.020 1 427 1079 40 LEU HA H 4.496 0.020 1 428 1079 40 LEU HB2 H 1.315 0.020 1 429 1079 40 LEU HB3 H 1.376 0.020 1 430 1079 40 LEU HG H 1.590 0.020 1 431 1079 40 LEU HD1 H 0.782 0.020 1 432 1079 40 LEU HD2 H 0.782 0.020 1 433 1079 40 LEU CA C 52.794 0.200 1 434 1079 40 LEU CB C 40.321 0.013 1 435 1079 40 LEU CG C 27.271 0.200 1 436 1079 40 LEU CD1 C 22.374 0.200 1 437 1079 40 LEU CD2 C 25.119 0.200 1 438 1079 40 LEU N N 124.936 0.200 1 439 1080 41 PRO HA H 4.178 0.020 1 440 1080 41 PRO HB2 H 1.768 0.020 1 441 1080 41 PRO HB3 H 2.209 0.020 1 442 1080 41 PRO C C 177.925 0.200 1 443 1080 41 PRO CA C 64.270 0.200 1 444 1080 41 PRO CB C 31.385 0.006 1 445 1081 42 GLY H H 8.699 0.020 1 446 1081 42 GLY HA2 H 4.114 0.020 1 447 1081 42 GLY HA3 H 3.599 0.020 1 448 1081 42 GLY C C 174.595 0.200 1 449 1081 42 GLY CA C 45.250 0.200 1 450 1081 42 GLY N N 112.416 0.200 1 451 1082 43 GLU H H 7.599 0.020 1 452 1082 43 GLU HA H 4.238 0.020 1 453 1082 43 GLU HB2 H 1.717 0.020 1 454 1082 43 GLU HB3 H 2.189 0.020 1 455 1082 43 GLU HG2 H 2.103 0.020 1 456 1082 43 GLU HG3 H 1.832 0.020 1 457 1082 43 GLU C C 176.193 0.200 1 458 1082 43 GLU CA C 57.062 0.200 1 459 1082 43 GLU CB C 29.355 0.016 1 460 1082 43 GLU CG C 37.546 0.200 1 461 1082 43 GLU N N 120.314 0.200 1 462 1083 44 THR H H 7.215 0.020 1 463 1083 44 THR HA H 4.454 0.020 1 464 1083 44 THR HB H 4.532 0.020 1 465 1083 44 THR HG2 H 1.150 0.020 1 466 1083 44 THR C C 174.447 0.200 1 467 1083 44 THR CA C 59.474 0.200 1 468 1083 44 THR CB C 72.074 0.200 1 469 1083 44 THR CG2 C 21.852 0.200 1 470 1083 44 THR N N 112.435 0.200 1 471 1084 45 MET H H 9.349 0.020 1 472 1084 45 MET HA H 4.146 0.020 1 473 1084 45 MET HB2 H 2.047 0.020 1 474 1084 45 MET HB3 H 2.027 0.020 1 475 1084 45 MET HG2 H 2.608 0.020 1 476 1084 45 MET HG3 H 2.451 0.020 1 477 1084 45 MET HE H 1.995 0.020 1 478 1084 45 MET C C 179.010 0.200 1 479 1084 45 MET CA C 58.010 0.200 1 480 1084 45 MET CB C 31.030 0.200 1 481 1084 45 MET CG C 32.093 0.200 1 482 1084 45 MET CE C 17.117 0.200 1 483 1084 45 MET N N 123.694 0.200 1 484 1085 46 GLU H H 9.151 0.020 1 485 1085 46 GLU HA H 3.876 0.020 1 486 1085 46 GLU HB2 H 1.833 0.020 1 487 1085 46 GLU HB3 H 1.969 0.020 1 488 1085 46 GLU HG2 H 2.185 0.020 1 489 1085 46 GLU HG3 H 2.260 0.020 1 490 1085 46 GLU C C 178.120 0.200 1 491 1085 46 GLU CA C 60.157 0.200 1 492 1085 46 GLU CB C 29.077 0.014 1 493 1085 46 GLU CG C 36.469 0.200 1 494 1085 46 GLU N N 120.538 0.200 1 495 1086 47 LYS H H 7.544 0.020 1 496 1086 47 LYS HA H 3.998 0.020 1 497 1086 47 LYS HB2 H 1.842 0.020 1 498 1086 47 LYS HB3 H 1.866 0.020 1 499 1086 47 LYS HG2 H 1.419 0.020 1 500 1086 47 LYS HG3 H 1.381 0.020 1 501 1086 47 LYS HD2 H 1.677 0.020 1 502 1086 47 LYS HD3 H 1.711 0.020 1 503 1086 47 LYS HE2 H 2.942 0.020 1 504 1086 47 LYS HE3 H 2.942 0.020 1 505 1086 47 LYS C C 178.631 0.200 1 506 1086 47 LYS CA C 59.499 0.200 1 507 1086 47 LYS CB C 33.311 0.200 1 508 1086 47 LYS CG C 25.001 0.002 1 509 1086 47 LYS CD C 29.393 0.001 1 510 1086 47 LYS CE C 42.159 0.200 1 511 1086 47 LYS N N 120.183 0.200 1 512 1087 48 CYS H H 8.669 0.020 1 513 1087 48 CYS HA H 4.130 0.020 1 514 1087 48 CYS HB2 H 3.374 0.020 1 515 1087 48 CYS HB3 H 2.454 0.020 1 516 1087 48 CYS C C 177.396 0.200 1 517 1087 48 CYS CA C 64.299 0.200 1 518 1087 48 CYS CB C 27.502 0.200 1 519 1087 48 CYS N N 116.271 0.200 1 520 1088 49 THR H H 8.380 0.020 1 521 1088 49 THR HA H 3.721 0.020 1 522 1088 49 THR HB H 4.144 0.020 1 523 1088 49 THR HG2 H 1.245 0.020 1 524 1088 49 THR C C 177.527 0.200 1 525 1088 49 THR CA C 66.951 0.200 1 526 1088 49 THR CB C 68.521 0.200 1 527 1088 49 THR CG2 C 22.167 0.200 1 528 1088 49 THR N N 113.000 0.200 1 529 1089 50 GLN H H 7.535 0.020 1 530 1089 50 GLN HA H 4.034 0.020 1 531 1089 50 GLN HB2 H 2.168 0.020 1 532 1089 50 GLN HB3 H 2.168 0.020 1 533 1089 50 GLN HG2 H 2.397 0.020 1 534 1089 50 GLN HG3 H 2.318 0.020 1 535 1089 50 GLN C C 178.516 0.200 1 536 1089 50 GLN CA C 59.058 0.200 1 537 1089 50 GLN CB C 28.389 0.200 1 538 1089 50 GLN CG C 34.092 0.001 1 539 1089 50 GLN N N 124.699 0.200 1 540 1090 51 ASP H H 9.037 0.020 1 541 1090 51 ASP HA H 4.380 0.020 1 542 1090 51 ASP HB2 H 2.628 0.020 1 543 1090 51 ASP HB3 H 2.784 0.020 1 544 1090 51 ASP C C 179.834 0.200 1 545 1090 51 ASP CA C 57.139 0.200 1 546 1090 51 ASP CB C 40.062 0.200 1 547 1090 51 ASP N N 120.855 0.200 1 548 1091 52 LEU H H 8.471 0.020 1 549 1091 52 LEU HA H 3.826 0.020 1 550 1091 52 LEU HB2 H 1.873 0.020 1 551 1091 52 LEU HB3 H 1.714 0.020 1 552 1091 52 LEU HG H 1.577 0.020 1 553 1091 52 LEU HD1 H 0.828 0.020 1 554 1091 52 LEU HD2 H 0.816 0.020 1 555 1091 52 LEU C C 180.114 0.200 1 556 1091 52 LEU CA C 59.771 0.200 1 557 1091 52 LEU CB C 41.676 0.200 1 558 1091 52 LEU CG C 28.810 0.200 1 559 1091 52 LEU CD1 C 25.159 0.200 1 560 1091 52 LEU CD2 C 25.291 0.200 1 561 1091 52 LEU N N 124.931 0.200 1 562 1092 53 GLY H H 8.059 0.020 1 563 1092 53 GLY HA2 H 3.680 0.020 1 564 1092 53 GLY HA3 H 4.059 0.020 1 565 1092 53 GLY C C 176.967 0.200 1 566 1092 53 GLY CA C 47.672 0.006 1 567 1092 53 GLY N N 107.613 0.200 1 568 1093 54 ASN H H 8.805 0.020 1 569 1093 54 ASN HA H 4.477 0.020 1 570 1093 54 ASN HB2 H 2.779 0.020 1 571 1093 54 ASN HB3 H 2.918 0.020 1 572 1093 54 ASN HD21 H 6.983 0.020 1 573 1093 54 ASN HD22 H 7.930 0.020 1 574 1093 54 ASN C C 179.091 0.200 1 575 1093 54 ASN CA C 55.902 0.200 1 576 1093 54 ASN CB C 37.437 0.200 1 577 1093 54 ASN N N 120.992 0.200 1 578 1093 54 ASN ND2 N 112.493 0.004 1 579 1094 55 SER H H 8.576 0.020 1 580 1094 55 SER HA H 4.371 0.020 1 581 1094 55 SER HB2 H 4.006 0.020 1 582 1094 55 SER HB3 H 3.881 0.020 1 583 1094 55 SER C C 176.363 0.200 1 584 1094 55 SER CA C 62.644 0.200 1 585 1094 55 SER CB C 62.556 0.200 1 586 1094 55 SER N N 119.074 0.200 1 587 1095 56 THR H H 7.977 0.020 1 588 1095 56 THR HA H 3.866 0.020 1 589 1095 56 THR HB H 4.152 0.020 1 590 1095 56 THR HG2 H 1.279 0.020 1 591 1095 56 THR C C 176.995 0.200 1 592 1095 56 THR CA C 66.723 0.200 1 593 1095 56 THR CB C 68.180 0.200 1 594 1095 56 THR CG2 C 22.152 0.200 1 595 1095 56 THR N N 115.254 0.200 1 596 1096 57 LYS H H 7.223 0.020 1 597 1096 57 LYS HA H 4.070 0.020 1 598 1096 57 LYS HB2 H 1.897 0.020 1 599 1096 57 LYS HB3 H 1.897 0.020 1 600 1096 57 LYS HG2 H 1.558 0.020 1 601 1096 57 LYS HG3 H 1.402 0.020 1 602 1096 57 LYS HD2 H 1.637 0.020 1 603 1096 57 LYS HD3 H 1.637 0.020 1 604 1096 57 LYS HE2 H 2.891 0.020 1 605 1096 57 LYS HE3 H 2.891 0.020 1 606 1096 57 LYS C C 178.927 0.200 1 607 1096 57 LYS CA C 59.284 0.200 1 608 1096 57 LYS CB C 32.134 0.200 1 609 1096 57 LYS CG C 25.206 0.001 1 610 1096 57 LYS CD C 29.282 0.004 1 611 1096 57 LYS CE C 42.124 0.200 1 612 1096 57 LYS N N 123.146 0.200 1 613 1097 58 ALA H H 7.894 0.020 1 614 1097 58 ALA HA H 4.108 0.020 1 615 1097 58 ALA HB H 1.507 0.020 1 616 1097 58 ALA CA C 55.210 0.200 1 617 1097 58 ALA CB C 17.753 0.200 1 618 1097 58 ALA N N 123.218 0.200 1 619 1098 59 VAL H H 8.654 0.020 1 620 1098 59 VAL HA H 3.518 0.020 1 621 1098 59 VAL HB H 2.053 0.020 1 622 1098 59 VAL HG1 H 1.022 0.020 1 623 1098 59 VAL HG2 H 0.852 0.020 1 624 1098 59 VAL C C 177.459 0.200 1 625 1098 59 VAL CA C 67.276 0.200 1 626 1098 59 VAL CB C 30.940 0.200 1 627 1098 59 VAL CG1 C 23.446 0.200 1 628 1098 59 VAL CG2 C 22.608 0.200 1 629 1098 59 VAL N N 118.827 0.200 1 630 1099 60 SER H H 8.278 0.020 1 631 1099 60 SER HB2 H 3.973 0.020 1 632 1099 60 SER HB3 H 3.883 0.020 1 633 1099 60 SER CB C 62.686 0.200 1 634 1099 60 SER N N 115.203 0.200 1 635 1100 61 SER H H 8.139 0.020 1 636 1100 61 SER HA H 4.199 0.020 1 637 1100 61 SER HB2 H 3.865 0.020 1 638 1100 61 SER HB3 H 3.913 0.020 1 639 1100 61 SER CA C 61.569 0.200 1 640 1100 61 SER CB C 62.764 0.006 1 641 1100 61 SER N N 117.454 0.200 1 642 1101 62 ALA H H 7.839 0.020 1 643 1101 62 ALA HA H 4.220 0.020 1 644 1101 62 ALA HB H 1.487 0.020 1 645 1101 62 ALA C C 179.222 0.200 1 646 1101 62 ALA CA C 55.082 0.200 1 647 1101 62 ALA CB C 18.506 0.200 1 648 1101 62 ALA N N 125.100 0.200 1 649 1102 63 ILE H H 8.542 0.020 1 650 1102 63 ILE HA H 3.376 0.020 1 651 1102 63 ILE HB H 1.873 0.020 1 652 1102 63 ILE HG12 H 0.686 0.020 1 653 1102 63 ILE HG13 H 2.015 0.020 1 654 1102 63 ILE HG2 H 0.811 0.020 1 655 1102 63 ILE HD1 H 0.700 0.020 1 656 1102 63 ILE C C 176.895 0.200 1 657 1102 63 ILE CA C 66.038 0.200 1 658 1102 63 ILE CB C 37.818 0.200 1 659 1102 63 ILE CG1 C 29.961 0.007 1 660 1102 63 ILE CG2 C 17.296 0.200 1 661 1102 63 ILE CD1 C 15.032 0.200 1 662 1102 63 ILE N N 119.125 0.200 1 663 1103 64 ALA H H 7.500 0.020 1 664 1103 64 ALA HB H 1.466 0.020 1 665 1103 64 ALA CB C 17.437 0.200 1 666 1103 64 ALA N N 120.996 0.200 1 667 1104 65 LYS H H 7.736 0.020 1 668 1104 65 LYS HA H 4.064 0.020 1 669 1104 65 LYS HB2 H 1.995 0.020 1 670 1104 65 LYS HB3 H 1.849 0.020 1 671 1104 65 LYS HG2 H 1.369 0.020 1 672 1104 65 LYS HG3 H 1.505 0.020 1 673 1104 65 LYS HD2 H 1.675 0.020 1 674 1104 65 LYS HD3 H 1.537 0.020 1 675 1104 65 LYS HE2 H 2.840 0.020 1 676 1104 65 LYS HE3 H 2.840 0.020 1 677 1104 65 LYS CA C 59.319 0.200 1 678 1104 65 LYS CB C 32.299 0.004 1 679 1104 65 LYS CG C 25.049 0.002 1 680 1104 65 LYS CD C 29.348 0.001 1 681 1104 65 LYS CE C 42.052 0.200 1 682 1104 65 LYS N N 119.221 0.200 1 683 1105 66 LEU H H 8.436 0.020 1 684 1105 66 LEU HA H 3.730 0.020 1 685 1105 66 LEU HB2 H 1.390 0.020 1 686 1105 66 LEU HB3 H 2.311 0.020 1 687 1105 66 LEU HG H 1.447 0.020 1 688 1105 66 LEU HD1 H 0.693 0.020 1 689 1105 66 LEU HD2 H 0.917 0.020 1 690 1105 66 LEU CA C 59.017 0.200 1 691 1105 66 LEU CB C 42.049 0.007 1 692 1105 66 LEU CG C 27.098 0.200 1 693 1105 66 LEU CD1 C 25.888 0.200 1 694 1105 66 LEU CD2 C 24.775 0.200 1 695 1105 66 LEU N N 121.203 0.200 1 696 1106 67 LEU HA H 3.761 0.020 1 697 1106 67 LEU HB2 H 1.511 0.020 1 698 1106 67 LEU HB3 H 1.699 0.020 1 699 1106 67 LEU HG H 1.815 0.020 1 700 1106 67 LEU HD1 H 0.817 0.020 1 701 1106 67 LEU HD2 H 0.778 0.020 1 702 1106 67 LEU C C 176.128 0.200 1 703 1106 67 LEU CA C 58.849 0.200 1 704 1106 67 LEU CB C 41.234 0.003 1 705 1106 67 LEU CG C 28.707 0.200 1 706 1106 67 LEU CD1 C 23.492 0.200 1 707 1106 67 LEU CD2 C 24.081 0.200 1 708 1107 68 GLY H H 7.836 0.020 1 709 1107 68 GLY HA2 H 3.903 0.020 1 710 1107 68 GLY HA3 H 4.004 0.020 1 711 1107 68 GLY C C 174.358 0.200 1 712 1107 68 GLY CA C 45.991 0.200 1 713 1107 68 GLY N N 108.414 0.200 1 714 1108 69 GLU H H 7.994 0.020 1 715 1108 69 GLU N N 119.035 0.200 1 716 1109 70 ILE H H 8.054 0.020 1 717 1109 70 ILE HA H 3.734 0.020 1 718 1109 70 ILE HB H 1.848 0.020 1 719 1109 70 ILE HG12 H 1.064 0.020 1 720 1109 70 ILE HG13 H 1.680 0.020 1 721 1109 70 ILE HG2 H 0.741 0.020 1 722 1109 70 ILE HD1 H 0.725 0.020 1 723 1109 70 ILE CA C 64.230 0.200 1 724 1109 70 ILE CB C 36.992 0.200 1 725 1109 70 ILE CG1 C 29.401 0.003 1 726 1109 70 ILE CG2 C 16.958 0.200 1 727 1109 70 ILE CD1 C 12.958 0.200 1 728 1109 70 ILE N N 120.289 0.200 1 729 1111 72 GLN C C 175.556 0.200 1 730 1112 73 GLY H H 8.425 0.020 1 731 1112 73 GLY HA2 H 3.854 0.020 1 732 1112 73 GLY HA3 H 3.901 0.020 1 733 1112 73 GLY C C 173.541 0.200 1 734 1112 73 GLY CA C 45.115 0.200 1 735 1112 73 GLY N N 110.032 0.200 1 736 1113 74 ASN H H 8.562 0.020 1 737 1113 74 ASN HA H 4.458 0.020 1 738 1113 74 ASN HB2 H 2.734 0.020 1 739 1113 74 ASN HB3 H 2.695 0.020 1 740 1113 74 ASN CA C 55.919 0.200 1 741 1113 74 ASN CB C 37.658 0.004 1 742 1113 74 ASN N N 119.936 0.200 1 743 1114 75 GLU H H 8.296 0.020 1 744 1114 75 GLU HA H 3.819 0.020 1 745 1114 75 GLU HB2 H 1.965 0.020 1 746 1114 75 GLU HB3 H 1.965 0.020 1 747 1114 75 GLU HG2 H 2.189 0.020 1 748 1114 75 GLU HG3 H 2.123 0.020 1 749 1114 75 GLU CA C 60.039 0.200 1 750 1114 75 GLU CB C 29.876 0.200 1 751 1114 75 GLU CG C 36.513 0.001 1 752 1114 75 GLU N N 124.491 0.200 1 753 1115 76 ASN H H 8.534 0.020 1 754 1115 76 ASN HA H 4.396 0.020 1 755 1115 76 ASN HB2 H 2.726 0.020 1 756 1115 76 ASN HB3 H 2.681 0.020 1 757 1115 76 ASN HD21 H 7.373 0.020 1 758 1115 76 ASN HD22 H 6.765 0.020 1 759 1115 76 ASN CA C 55.926 0.200 1 760 1115 76 ASN CB C 37.475 0.200 1 761 1115 76 ASN N N 118.226 0.200 1 762 1115 76 ASN ND2 N 112.283 0.011 1 763 1116 77 TYR H H 7.879 0.020 1 764 1116 77 TYR HA H 4.406 0.020 1 765 1116 77 TYR HB2 H 3.015 0.020 1 766 1116 77 TYR HB3 H 2.815 0.020 1 767 1116 77 TYR HD1 H 7.012 0.020 3 768 1116 77 TYR HD2 H 7.012 0.020 3 769 1116 77 TYR HE1 H 6.768 0.020 3 770 1116 77 TYR HE2 H 6.768 0.020 3 771 1116 77 TYR C C 179.151 0.200 1 772 1116 77 TYR CA C 58.513 0.200 1 773 1116 77 TYR CB C 35.809 0.200 1 774 1116 77 TYR CD1 C 132.187 0.200 3 775 1116 77 TYR CD2 C 132.187 0.200 3 776 1116 77 TYR CE1 C 118.662 0.200 3 777 1116 77 TYR CE2 C 118.662 0.200 3 778 1116 77 TYR N N 119.097 0.200 1 779 1117 78 ALA H H 8.504 0.020 1 780 1117 78 ALA HA H 3.955 0.020 1 781 1117 78 ALA HB H 1.308 0.020 1 782 1117 78 ALA C C 178.592 0.200 1 783 1117 78 ALA CA C 55.526 0.200 1 784 1117 78 ALA CB C 18.264 0.200 1 785 1117 78 ALA N N 124.422 0.200 1 786 1118 79 GLY H H 7.942 0.020 1 787 1118 79 GLY HA2 H 3.570 0.020 1 788 1118 79 GLY HA3 H 3.974 0.020 1 789 1118 79 GLY C C 174.984 0.200 1 790 1118 79 GLY CA C 47.714 0.200 1 791 1118 79 GLY N N 105.382 0.200 1 792 1119 80 ILE H H 7.359 0.020 1 793 1119 80 ILE HA H 3.538 0.020 1 794 1119 80 ILE HB H 1.789 0.020 1 795 1119 80 ILE HG12 H 1.098 0.020 1 796 1119 80 ILE HG13 H 1.571 0.020 1 797 1119 80 ILE HG2 H 0.799 0.020 1 798 1119 80 ILE HD1 H 0.680 0.020 1 799 1119 80 ILE C C 177.612 0.200 1 800 1119 80 ILE CA C 64.312 0.200 1 801 1119 80 ILE CB C 37.661 0.200 1 802 1119 80 ILE CG1 C 28.565 0.200 1 803 1119 80 ILE CG2 C 17.347 0.200 1 804 1119 80 ILE CD1 C 12.326 0.200 1 805 1119 80 ILE N N 121.116 0.200 1 806 1120 81 ALA H H 7.793 0.020 1 807 1120 81 ALA HA H 4.196 0.020 1 808 1120 81 ALA HB H 1.476 0.020 1 809 1120 81 ALA C C 179.702 0.200 1 810 1120 81 ALA CA C 55.122 0.200 1 811 1120 81 ALA CB C 17.138 0.200 1 812 1120 81 ALA N N 121.615 0.200 1 813 1121 82 ALA H H 8.304 0.020 1 814 1121 82 ALA HA H 3.756 0.020 1 815 1121 82 ALA HB H 1.412 0.020 1 816 1121 82 ALA C C 178.624 0.200 1 817 1121 82 ALA CA C 55.791 0.200 1 818 1121 82 ALA CB C 17.907 0.200 1 819 1121 82 ALA N N 120.010 0.200 1 820 1122 83 ARG H H 7.933 0.020 1 821 1122 83 ARG HA H 3.899 0.020 1 822 1122 83 ARG HB2 H 2.247 0.020 1 823 1122 83 ARG HB3 H 2.010 0.020 1 824 1122 83 ARG HG2 H 1.761 0.020 1 825 1122 83 ARG HG3 H 1.484 0.020 1 826 1122 83 ARG HD2 H 3.143 0.020 1 827 1122 83 ARG HD3 H 3.097 0.020 1 828 1122 83 ARG C C 179.539 0.200 1 829 1122 83 ARG CA C 59.753 0.200 1 830 1122 83 ARG CB C 29.780 0.001 1 831 1122 83 ARG CG C 26.467 0.003 1 832 1122 83 ARG CD C 43.941 0.001 1 833 1122 83 ARG N N 119.619 0.200 1 834 1123 84 ASP H H 8.136 0.020 1 835 1123 84 ASP HA H 4.501 0.020 1 836 1123 84 ASP HB2 H 2.949 0.020 1 837 1123 84 ASP HB3 H 2.535 0.020 1 838 1123 84 ASP C C 180.241 0.200 1 839 1123 84 ASP CA C 57.200 0.200 1 840 1123 84 ASP CB C 39.911 0.007 1 841 1123 84 ASP N N 121.884 0.200 1 842 1124 85 VAL H H 8.539 0.020 1 843 1124 85 VAL HA H 3.407 0.020 1 844 1124 85 VAL HB H 2.497 0.020 1 845 1124 85 VAL HG1 H 0.970 0.020 1 846 1124 85 VAL HG2 H 0.751 0.020 1 847 1124 85 VAL C C 176.908 0.200 1 848 1124 85 VAL CA C 67.555 0.200 1 849 1124 85 VAL CB C 31.346 0.200 1 850 1124 85 VAL CG1 C 23.876 0.200 1 851 1124 85 VAL CG2 C 21.051 0.200 1 852 1124 85 VAL N N 124.595 0.200 1 853 1125 86 ALA H H 7.966 0.020 1 854 1125 86 ALA HA H 3.778 0.020 1 855 1125 86 ALA HB H 1.479 0.020 1 856 1125 86 ALA C C 179.016 0.200 1 857 1125 86 ALA CA C 55.813 0.200 1 858 1125 86 ALA CB C 17.963 0.200 1 859 1125 86 ALA N N 120.571 0.200 1 860 1126 87 GLY H H 8.639 0.020 1 861 1126 87 GLY HA2 H 3.731 0.020 1 862 1126 87 GLY HA3 H 3.964 0.020 1 863 1126 87 GLY C C 177.627 0.200 1 864 1126 87 GLY CA C 47.187 0.200 1 865 1126 87 GLY N N 104.381 0.200 1 866 1127 88 GLY H H 8.155 0.020 1 867 1127 88 GLY HA2 H 3.509 0.020 1 868 1127 88 GLY HA3 H 3.993 0.020 1 869 1127 88 GLY C C 176.011 0.200 1 870 1127 88 GLY CA C 46.900 0.200 1 871 1127 88 GLY N N 110.048 0.200 1 872 1128 89 LEU H H 8.133 0.020 1 873 1128 89 LEU HA H 4.046 0.020 1 874 1128 89 LEU HB2 H 1.937 0.020 1 875 1128 89 LEU HB3 H 1.150 0.020 1 876 1128 89 LEU HG H 1.964 0.020 1 877 1128 89 LEU HD1 H 0.670 0.020 1 878 1128 89 LEU HD2 H 0.721 0.020 1 879 1128 89 LEU C C 178.443 0.200 1 880 1128 89 LEU CA C 57.067 0.200 1 881 1128 89 LEU CB C 40.400 0.008 1 882 1128 89 LEU CG C 26.005 0.200 1 883 1128 89 LEU CD1 C 28.481 0.200 1 884 1128 89 LEU CD2 C 24.179 0.200 1 885 1128 89 LEU N N 122.208 0.200 1 886 1129 90 ARG H H 8.118 0.020 1 887 1129 90 ARG HA H 3.966 0.020 1 888 1129 90 ARG HB2 H 1.848 0.020 1 889 1129 90 ARG HB3 H 2.026 0.020 1 890 1129 90 ARG HG2 H 1.778 0.020 1 891 1129 90 ARG HG3 H 1.487 0.020 1 892 1129 90 ARG HD2 H 3.171 0.020 1 893 1129 90 ARG HD3 H 3.171 0.020 1 894 1129 90 ARG C C 179.244 0.200 1 895 1129 90 ARG CA C 60.298 0.200 1 896 1129 90 ARG CB C 29.514 0.200 1 897 1129 90 ARG CG C 27.469 0.007 1 898 1129 90 ARG CD C 43.614 0.200 1 899 1129 90 ARG N N 121.413 0.200 1 900 1130 91 SER H H 7.404 0.020 1 901 1130 91 SER HA H 4.159 0.020 1 902 1130 91 SER HB2 H 3.996 0.020 1 903 1130 91 SER HB3 H 3.896 0.020 1 904 1130 91 SER C C 176.746 0.200 1 905 1130 91 SER CA C 61.974 0.200 1 906 1130 91 SER CB C 62.506 0.001 1 907 1130 91 SER N N 115.374 0.200 1 908 1131 92 LEU H H 8.301 0.020 1 909 1131 92 LEU HA H 3.964 0.020 1 910 1131 92 LEU HB2 H 1.708 0.020 1 911 1131 92 LEU HB3 H 1.920 0.020 1 912 1131 92 LEU HG H 1.607 0.020 1 913 1131 92 LEU HD1 H 0.756 0.020 1 914 1131 92 LEU HD2 H 0.840 0.020 1 915 1131 92 LEU C C 178.047 0.200 1 916 1131 92 LEU CA C 60.076 0.200 1 917 1131 92 LEU CB C 42.635 0.200 1 918 1131 92 LEU CG C 27.989 0.200 1 919 1131 92 LEU CD1 C 24.432 0.200 1 920 1131 92 LEU CD2 C 27.789 0.200 1 921 1131 92 LEU N N 126.362 0.200 1 922 1132 93 ALA H H 8.726 0.020 1 923 1132 93 ALA HA H 3.728 0.020 1 924 1132 93 ALA HB H 1.468 0.020 1 925 1132 93 ALA C C 179.313 0.200 1 926 1132 93 ALA CA C 55.793 0.200 1 927 1132 93 ALA CB C 18.317 0.200 1 928 1132 93 ALA N N 121.334 0.200 1 929 1133 94 GLN H H 7.755 0.020 1 930 1133 94 GLN HA H 3.933 0.020 1 931 1133 94 GLN HB2 H 2.063 0.020 1 932 1133 94 GLN HB3 H 2.160 0.020 1 933 1133 94 GLN HG2 H 2.419 0.020 1 934 1133 94 GLN HG3 H 2.319 0.020 1 935 1133 94 GLN HE21 H 7.457 0.020 1 936 1133 94 GLN HE22 H 6.725 0.020 1 937 1133 94 GLN C C 178.775 0.200 1 938 1133 94 GLN CA C 58.820 0.200 1 939 1133 94 GLN CB C 28.405 0.001 1 940 1133 94 GLN CG C 33.529 0.200 1 941 1133 94 GLN N N 116.635 0.200 1 942 1133 94 GLN NE2 N 111.701 0.028 1 943 1134 95 ALA H H 8.070 0.020 1 944 1134 95 ALA HA H 4.322 0.020 1 945 1134 95 ALA HB H 1.533 0.020 1 946 1134 95 ALA C C 179.122 0.200 1 947 1134 95 ALA CA C 55.253 0.200 1 948 1134 95 ALA CB C 18.265 0.200 1 949 1134 95 ALA N N 124.153 0.200 1 950 1135 96 ALA H H 8.814 0.020 1 951 1135 96 ALA HA H 3.678 0.020 1 952 1135 96 ALA HB H 1.199 0.020 1 953 1135 96 ALA C C 178.638 0.200 1 954 1135 96 ALA CA C 55.276 0.200 1 955 1135 96 ALA CB C 17.363 0.200 1 956 1135 96 ALA N N 120.216 0.200 1 957 1136 97 ARG H H 7.861 0.020 1 958 1136 97 ARG HA H 3.566 0.020 1 959 1136 97 ARG HB2 H 1.949 0.020 1 960 1136 97 ARG HB3 H 1.853 0.020 1 961 1136 97 ARG HG2 H 1.670 0.020 1 962 1136 97 ARG HG3 H 1.522 0.020 1 963 1136 97 ARG HD2 H 3.038 0.020 1 964 1136 97 ARG HD3 H 3.120 0.020 1 965 1136 97 ARG C C 177.450 0.200 1 966 1136 97 ARG CA C 60.128 0.200 1 967 1136 97 ARG CB C 28.927 0.001 1 968 1136 97 ARG CG C 26.325 0.003 1 969 1136 97 ARG CD C 43.187 0.002 1 970 1136 97 ARG N N 116.617 0.200 1 971 1137 98 GLY H H 7.664 0.020 1 972 1137 98 GLY HA2 H 3.807 0.020 1 973 1137 98 GLY HA3 H 4.241 0.020 1 974 1137 98 GLY C C 175.889 0.200 1 975 1137 98 GLY CA C 48.205 0.200 1 976 1137 98 GLY N N 106.236 0.200 1 977 1138 99 VAL H H 8.373 0.020 1 978 1138 99 VAL HA H 3.477 0.020 1 979 1138 99 VAL HB H 1.974 0.020 1 980 1138 99 VAL HG1 H 0.757 0.020 1 981 1138 99 VAL HG2 H 0.918 0.020 1 982 1138 99 VAL C C 179.198 0.200 1 983 1138 99 VAL CA C 66.807 0.200 1 984 1138 99 VAL CB C 31.740 0.200 1 985 1138 99 VAL CG1 C 21.673 0.200 1 986 1138 99 VAL CG2 C 22.764 0.200 1 987 1138 99 VAL N N 119.912 0.200 1 988 1139 100 ALA H H 8.415 0.020 1 989 1139 100 ALA HA H 3.769 0.020 1 990 1139 100 ALA HB H 1.306 0.020 1 991 1139 100 ALA C C 179.061 0.200 1 992 1139 100 ALA CA C 55.415 0.200 1 993 1139 100 ALA CB C 18.044 0.200 1 994 1139 100 ALA N N 120.263 0.200 1 995 1140 101 ALA H H 8.588 0.020 1 996 1140 101 ALA HA H 3.766 0.020 1 997 1140 101 ALA HB H 1.168 0.020 1 998 1140 101 ALA C C 178.144 0.200 1 999 1140 101 ALA CA C 54.195 0.200 1 1000 1140 101 ALA CB C 18.122 0.200 1 1001 1140 101 ALA N N 119.170 0.200 1 1002 1141 102 LEU H H 7.379 0.020 1 1003 1141 102 LEU HA H 4.226 0.020 1 1004 1141 102 LEU HB2 H 1.760 0.020 1 1005 1141 102 LEU HB3 H 1.533 0.020 1 1006 1141 102 LEU HG H 1.573 0.020 1 1007 1141 102 LEU HD1 H 0.646 0.020 1 1008 1141 102 LEU HD2 H 0.829 0.020 1 1009 1141 102 LEU C C 176.841 0.200 1 1010 1141 102 LEU CA C 54.812 0.200 1 1011 1141 102 LEU CB C 44.032 0.006 1 1012 1141 102 LEU CG C 26.985 0.200 1 1013 1141 102 LEU CD1 C 26.100 0.200 1 1014 1141 102 LEU CD2 C 23.229 0.200 1 1015 1141 102 LEU N N 116.346 0.200 1 1016 1142 103 THR H H 7.544 0.020 1 1017 1142 103 THR HA H 4.217 0.020 1 1018 1142 103 THR HB H 4.071 0.020 1 1019 1142 103 THR HG2 H 1.197 0.020 1 1020 1142 103 THR C C 173.399 0.200 1 1021 1142 103 THR CA C 62.606 0.200 1 1022 1142 103 THR CB C 69.323 0.200 1 1023 1142 103 THR CG2 C 20.891 0.200 1 1024 1142 103 THR N N 117.982 0.200 1 1025 1143 104 SER H H 8.431 0.020 1 1026 1143 104 SER HA H 4.342 0.020 1 1027 1143 104 SER HB2 H 3.822 0.020 1 1028 1143 104 SER HB3 H 3.926 0.020 1 1029 1143 104 SER C C 174.071 0.200 1 1030 1143 104 SER CA C 58.908 0.200 1 1031 1143 104 SER CB C 63.683 0.003 1 1032 1143 104 SER N N 121.169 0.200 1 1033 1144 105 ASP H H 7.813 0.020 1 1034 1144 105 ASP HA H 4.962 0.020 1 1035 1144 105 ASP HB2 H 2.537 0.020 1 1036 1144 105 ASP HB3 H 2.809 0.020 1 1037 1144 105 ASP CA C 51.102 0.200 1 1038 1144 105 ASP CB C 42.264 0.002 1 1039 1144 105 ASP N N 124.163 0.200 1 1040 1145 106 PRO HA H 4.325 0.020 1 1041 1145 106 PRO HB2 H 2.385 0.020 1 1042 1145 106 PRO HB3 H 1.967 0.020 1 1043 1145 106 PRO HG2 H 2.070 0.020 1 1044 1145 106 PRO HG3 H 2.016 0.020 1 1045 1145 106 PRO HD2 H 4.210 0.020 1 1046 1145 106 PRO HD3 H 3.897 0.020 1 1047 1145 106 PRO C C 179.348 0.200 1 1048 1145 106 PRO CA C 64.520 0.200 1 1049 1145 106 PRO CB C 32.223 0.200 1 1050 1145 106 PRO CG C 27.238 0.200 1 1051 1145 106 PRO CD C 51.354 0.003 1 1052 1146 107 ALA H H 8.262 0.020 1 1053 1146 107 ALA HA H 4.193 0.020 1 1054 1146 107 ALA HB H 1.427 0.020 1 1055 1146 107 ALA C C 180.761 0.200 1 1056 1146 107 ALA CA C 54.752 0.200 1 1057 1146 107 ALA CB C 18.187 0.200 1 1058 1146 107 ALA N N 121.229 0.200 1 1059 1147 108 VAL H H 7.200 0.020 1 1060 1147 108 VAL HA H 3.654 0.020 1 1061 1147 108 VAL HB H 2.099 0.020 1 1062 1147 108 VAL HG1 H 0.950 0.020 1 1063 1147 108 VAL HG2 H 0.874 0.020 1 1064 1147 108 VAL C C 177.368 0.200 1 1065 1147 108 VAL CA C 65.300 0.200 1 1066 1147 108 VAL CB C 31.639 0.200 1 1067 1147 108 VAL CG1 C 22.335 0.200 1 1068 1147 108 VAL CG2 C 21.509 0.200 1 1069 1147 108 VAL N N 120.392 0.200 1 1070 1148 109 GLN H H 8.008 0.020 1 1071 1148 109 GLN HA H 3.457 0.020 1 1072 1148 109 GLN HB2 H 2.094 0.020 1 1073 1148 109 GLN HB3 H 1.903 0.020 1 1074 1148 109 GLN HG2 H 2.084 0.020 1 1075 1148 109 GLN HG3 H 2.399 0.020 1 1076 1148 109 GLN C C 176.752 0.200 1 1077 1148 109 GLN CA C 60.300 0.200 1 1078 1148 109 GLN CB C 30.426 0.005 1 1079 1148 109 GLN CG C 34.379 0.007 1 1080 1148 109 GLN N N 118.840 0.200 1 1081 1149 110 ALA H H 7.514 0.020 1 1082 1149 110 ALA HA H 4.221 0.020 1 1083 1149 110 ALA HB H 1.432 0.020 1 1084 1149 110 ALA C C 179.437 0.200 1 1085 1149 110 ALA CA C 55.114 0.200 1 1086 1149 110 ALA CB C 18.162 0.200 1 1087 1149 110 ALA N N 116.149 0.200 1 1088 1150 111 ILE H H 7.487 0.020 1 1089 1150 111 ILE HA H 4.008 0.020 1 1090 1150 111 ILE HB H 1.909 0.020 1 1091 1150 111 ILE HG12 H 1.225 0.020 1 1092 1150 111 ILE HG13 H 1.670 0.020 1 1093 1150 111 ILE HG2 H 1.035 0.020 1 1094 1150 111 ILE HD1 H 0.838 0.020 1 1095 1150 111 ILE C C 179.052 0.200 1 1096 1150 111 ILE CA C 64.327 0.200 1 1097 1150 111 ILE CB C 38.371 0.200 1 1098 1150 111 ILE CG1 C 29.474 0.003 1 1099 1150 111 ILE CG2 C 17.681 0.200 1 1100 1150 111 ILE CD1 C 13.542 0.200 1 1101 1150 111 ILE N N 117.855 0.200 1 1102 1151 112 VAL H H 8.275 0.020 1 1103 1151 112 VAL HA H 3.706 0.020 1 1104 1151 112 VAL HB H 2.041 0.020 1 1105 1151 112 VAL HG1 H 0.947 0.020 1 1106 1151 112 VAL HG2 H 0.839 0.020 1 1107 1151 112 VAL C C 177.404 0.200 1 1108 1151 112 VAL CA C 66.639 0.200 1 1109 1151 112 VAL CB C 31.633 0.200 1 1110 1151 112 VAL CG1 C 22.904 0.200 1 1111 1151 112 VAL CG2 C 20.924 0.200 1 1112 1151 112 VAL N N 123.687 0.200 1 1113 1152 113 LEU H H 7.365 0.020 1 1114 1152 113 LEU HA H 3.987 0.020 1 1115 1152 113 LEU HB2 H 1.136 0.020 1 1116 1152 113 LEU HB3 H 1.919 0.020 1 1117 1152 113 LEU HG H 1.827 0.020 1 1118 1152 113 LEU HD1 H 0.628 0.020 1 1119 1152 113 LEU HD2 H 0.547 0.020 1 1120 1152 113 LEU C C 179.118 0.200 1 1121 1152 113 LEU CA C 57.483 0.200 1 1122 1152 113 LEU CB C 41.286 0.013 1 1123 1152 113 LEU CG C 26.564 0.200 1 1124 1152 113 LEU CD1 C 26.010 0.200 1 1125 1152 113 LEU CD2 C 22.145 0.200 1 1126 1152 113 LEU N N 116.875 0.200 1 1127 1153 114 ASP H H 9.007 0.020 1 1128 1153 114 ASP HA H 4.367 0.020 1 1129 1153 114 ASP HB2 H 2.790 0.020 1 1130 1153 114 ASP HB3 H 2.586 0.020 1 1131 1153 114 ASP C C 179.982 0.200 1 1132 1153 114 ASP CA C 57.521 0.200 1 1133 1153 114 ASP CB C 40.069 0.002 1 1134 1153 114 ASP N N 121.584 0.200 1 1135 1154 115 THR H H 8.582 0.020 1 1136 1154 115 THR HA H 4.029 0.020 1 1137 1154 115 THR HB H 4.180 0.020 1 1138 1154 115 THR HG2 H 1.273 0.020 1 1139 1154 115 THR C C 178.241 0.200 1 1140 1154 115 THR CA C 65.998 0.200 1 1141 1154 115 THR CB C 68.470 0.200 1 1142 1154 115 THR CG2 C 22.636 0.200 1 1143 1154 115 THR N N 114.442 0.200 1 1144 1155 116 ALA H H 7.749 0.020 1 1145 1155 116 ALA HA H 3.959 0.020 1 1146 1155 116 ALA HB H 1.267 0.020 1 1147 1155 116 ALA C C 178.892 0.200 1 1148 1155 116 ALA CA C 55.791 0.200 1 1149 1155 116 ALA CB C 17.222 0.200 1 1150 1155 116 ALA N N 125.789 0.200 1 1151 1156 117 SER H H 8.347 0.020 1 1152 1156 117 SER HB2 H 4.071 0.020 1 1153 1156 117 SER HB3 H 3.923 0.020 1 1154 1156 117 SER C C 176.448 0.200 1 1155 1156 117 SER CB C 62.700 0.001 1 1156 1156 117 SER N N 113.566 0.200 1 1157 1157 118 ASP H H 7.928 0.020 1 1158 1157 118 ASP HA H 4.507 0.020 1 1159 1157 118 ASP HB2 H 2.759 0.020 1 1160 1157 118 ASP HB3 H 2.759 0.020 1 1161 1157 118 ASP C C 178.188 0.200 1 1162 1157 118 ASP CA C 57.537 0.200 1 1163 1157 118 ASP CB C 41.312 0.200 1 1164 1157 118 ASP N N 122.893 0.200 1 1165 1158 119 VAL H H 7.650 0.020 1 1166 1158 119 VAL HA H 3.311 0.020 1 1167 1158 119 VAL HB H 2.323 0.020 1 1168 1158 119 VAL HG1 H 0.795 0.020 1 1169 1158 119 VAL HG2 H 0.952 0.020 1 1170 1158 119 VAL C C 177.351 0.200 1 1171 1158 119 VAL CA C 66.930 0.200 1 1172 1158 119 VAL CB C 30.962 0.200 1 1173 1158 119 VAL CG1 C 22.429 0.200 1 1174 1158 119 VAL CG2 C 23.491 0.200 1 1175 1158 119 VAL N N 116.650 0.200 1 1176 1159 120 LEU H H 7.537 0.020 1 1177 1159 120 LEU HA H 3.807 0.020 1 1178 1159 120 LEU HB2 H 1.353 0.020 1 1179 1159 120 LEU HB3 H 2.036 0.020 1 1180 1159 120 LEU HG H 1.976 0.020 1 1181 1159 120 LEU HD1 H 0.798 0.020 1 1182 1159 120 LEU HD2 H 0.871 0.020 1 1183 1159 120 LEU C C 178.042 0.200 1 1184 1159 120 LEU CA C 58.288 0.200 1 1185 1159 120 LEU CB C 41.177 0.200 1 1186 1159 120 LEU CG C 27.014 0.200 1 1187 1159 120 LEU CD1 C 26.670 0.200 1 1188 1159 120 LEU CD2 C 24.437 0.200 1 1189 1159 120 LEU N N 117.552 0.200 1 1190 1160 121 ASP H H 8.035 0.020 1 1191 1160 121 ASP HA H 4.284 0.020 1 1192 1160 121 ASP HB2 H 2.793 0.020 1 1193 1160 121 ASP HB3 H 2.793 0.020 1 1194 1160 121 ASP C C 179.145 0.200 1 1195 1160 121 ASP CA C 57.469 0.200 1 1196 1160 121 ASP CB C 42.287 0.200 1 1197 1160 121 ASP N N 119.515 0.200 1 1198 1161 122 LYS H H 8.185 0.020 1 1199 1161 122 LYS HA H 3.994 0.020 1 1200 1161 122 LYS HB2 H 1.741 0.020 1 1201 1161 122 LYS HB3 H 1.741 0.020 1 1202 1161 122 LYS HG2 H 1.408 0.020 1 1203 1161 122 LYS HG3 H 1.485 0.020 1 1204 1161 122 LYS HD2 H 1.417 0.020 1 1205 1161 122 LYS HD3 H 1.550 0.020 1 1206 1161 122 LYS HE2 H 2.940 0.020 1 1207 1161 122 LYS HE3 H 2.940 0.020 1 1208 1161 122 LYS C C 179.371 0.200 1 1209 1161 122 LYS CA C 58.439 0.200 1 1210 1161 122 LYS CB C 31.520 0.200 1 1211 1161 122 LYS CG C 27.793 0.001 1 1212 1161 122 LYS CD C 26.043 0.005 1 1213 1161 122 LYS CE C 42.313 0.200 1 1214 1161 122 LYS N N 118.094 0.200 1 1215 1162 123 ALA H H 9.166 0.020 1 1216 1162 123 ALA HA H 3.918 0.020 1 1217 1162 123 ALA HB H 1.350 0.020 1 1218 1162 123 ALA C C 179.012 0.200 1 1219 1162 123 ALA CA C 54.985 0.200 1 1220 1162 123 ALA CB C 18.985 0.200 1 1221 1162 123 ALA N N 123.113 0.200 1 1222 1163 124 SER H H 8.287 0.020 1 1223 1163 124 SER HA H 3.991 0.020 1 1224 1163 124 SER HB2 H 3.990 0.020 1 1225 1163 124 SER HB3 H 3.885 0.020 1 1226 1163 124 SER C C 176.315 0.200 1 1227 1163 124 SER CA C 62.445 0.200 1 1228 1163 124 SER CB C 62.710 0.200 1 1229 1163 124 SER N N 115.863 0.200 1 1230 1164 125 SER H H 7.306 0.020 1 1231 1164 125 SER HA H 4.241 0.020 1 1232 1164 125 SER HB2 H 3.878 0.020 1 1233 1164 125 SER HB3 H 3.878 0.020 1 1234 1164 125 SER C C 176.328 0.200 1 1235 1164 125 SER CA C 61.808 0.200 1 1236 1164 125 SER CB C 62.489 0.004 1 1237 1164 125 SER N N 116.278 0.200 1 1238 1165 126 LEU H H 7.963 0.020 1 1239 1165 126 LEU HA H 3.936 0.020 1 1240 1165 126 LEU HB2 H 1.352 0.020 1 1241 1165 126 LEU HB3 H 2.286 0.020 1 1242 1165 126 LEU HG H 1.399 0.020 1 1243 1165 126 LEU HD1 H 0.872 0.020 1 1244 1165 126 LEU HD2 H 0.845 0.020 1 1245 1165 126 LEU C C 177.272 0.200 1 1246 1165 126 LEU CA C 58.372 0.200 1 1247 1165 126 LEU CB C 41.098 0.013 1 1248 1165 126 LEU CG C 27.401 0.200 1 1249 1165 126 LEU CD1 C 26.986 0.200 1 1250 1165 126 LEU CD2 C 24.151 0.200 1 1251 1165 126 LEU N N 122.029 0.200 1 1252 1166 127 ILE H H 8.199 0.020 1 1253 1166 127 ILE HA H 3.502 0.020 1 1254 1166 127 ILE HB H 1.905 0.020 1 1255 1166 127 ILE HG12 H 0.996 0.020 1 1256 1166 127 ILE HG13 H 1.697 0.020 1 1257 1166 127 ILE HG2 H 0.917 0.020 1 1258 1166 127 ILE HD1 H 0.669 0.020 1 1259 1166 127 ILE C C 177.524 0.200 1 1260 1166 127 ILE CA C 65.138 0.200 1 1261 1166 127 ILE CB C 36.689 0.200 1 1262 1166 127 ILE CG1 C 28.938 0.200 1 1263 1166 127 ILE CG2 C 19.375 0.200 1 1264 1166 127 ILE CD1 C 11.761 0.200 1 1265 1166 127 ILE N N 118.988 0.200 1 1266 1167 128 GLU H H 8.238 0.020 1 1267 1167 128 GLU HA H 3.963 0.020 1 1268 1167 128 GLU HB2 H 2.162 0.020 1 1269 1167 128 GLU HB3 H 1.993 0.020 1 1270 1167 128 GLU HG2 H 2.352 0.020 1 1271 1167 128 GLU HG3 H 2.155 0.020 1 1272 1167 128 GLU C C 179.915 0.200 1 1273 1167 128 GLU CA C 60.283 0.200 1 1274 1167 128 GLU CB C 29.674 0.009 1 1275 1167 128 GLU CG C 36.463 0.004 1 1276 1167 128 GLU N N 119.573 0.200 1 1277 1168 129 GLU H H 8.342 0.020 1 1278 1168 129 GLU HA H 4.020 0.020 1 1279 1168 129 GLU HB2 H 1.970 0.020 1 1280 1168 129 GLU HB3 H 2.118 0.020 1 1281 1168 129 GLU HG2 H 2.148 0.020 1 1282 1168 129 GLU HG3 H 2.265 0.020 1 1283 1168 129 GLU C C 178.813 0.200 1 1284 1168 129 GLU CA C 58.434 0.200 1 1285 1168 129 GLU CB C 28.995 0.002 1 1286 1168 129 GLU CG C 35.657 0.003 1 1287 1168 129 GLU N N 119.390 0.200 1 1288 1169 130 ALA H H 8.913 0.020 1 1289 1169 130 ALA HA H 3.881 0.020 1 1290 1169 130 ALA HB H 1.426 0.020 1 1291 1169 130 ALA C C 179.264 0.200 1 1292 1169 130 ALA CA C 55.301 0.200 1 1293 1169 130 ALA CB C 17.769 0.200 1 1294 1169 130 ALA N N 123.776 0.200 1 1295 1170 131 LYS H H 8.304 0.020 1 1296 1170 131 LYS HA H 3.867 0.020 1 1297 1170 131 LYS HB2 H 1.850 0.020 1 1298 1170 131 LYS HB3 H 1.949 0.020 1 1299 1170 131 LYS HG2 H 1.546 0.020 1 1300 1170 131 LYS HG3 H 1.305 0.020 1 1301 1170 131 LYS HD2 H 1.547 0.020 1 1302 1170 131 LYS HD3 H 1.548 0.020 1 1303 1170 131 LYS HE2 H 2.846 0.020 1 1304 1170 131 LYS HE3 H 2.846 0.020 1 1305 1170 131 LYS C C 179.530 0.200 1 1306 1170 131 LYS CA C 60.047 0.200 1 1307 1170 131 LYS CB C 32.203 0.200 1 1308 1170 131 LYS CG C 25.383 0.003 1 1309 1170 131 LYS CD C 29.331 0.200 1 1310 1170 131 LYS CE C 41.355 0.200 1 1311 1170 131 LYS N N 119.507 0.200 1 1312 1171 132 LYS H H 7.419 0.020 1 1313 1171 132 LYS HA H 4.019 0.020 1 1314 1171 132 LYS HB2 H 1.898 0.020 1 1315 1171 132 LYS HB3 H 1.898 0.020 1 1316 1171 132 LYS HG2 H 1.557 0.020 1 1317 1171 132 LYS HG3 H 1.375 0.020 1 1318 1171 132 LYS HD2 H 1.627 0.020 1 1319 1171 132 LYS HD3 H 1.627 0.020 1 1320 1171 132 LYS HE2 H 2.827 0.020 1 1321 1171 132 LYS HE3 H 2.827 0.020 1 1322 1171 132 LYS C C 178.959 0.200 1 1323 1171 132 LYS CA C 59.316 0.200 1 1324 1171 132 LYS CB C 32.545 0.200 1 1325 1171 132 LYS CG C 25.249 0.001 1 1326 1171 132 LYS CD C 29.318 0.004 1 1327 1171 132 LYS CE C 42.041 0.200 1 1328 1171 132 LYS N N 119.311 0.200 1 1329 1172 133 ALA H H 8.507 0.020 1 1330 1172 133 ALA HA H 4.067 0.020 1 1331 1172 133 ALA HB H 1.427 0.020 1 1332 1172 133 ALA C C 179.782 0.200 1 1333 1172 133 ALA CA C 54.427 0.200 1 1334 1172 133 ALA CB C 19.259 0.200 1 1335 1172 133 ALA N N 121.429 0.200 1 1336 1173 134 SER H H 7.990 0.020 1 1337 1173 134 SER HA H 4.049 0.020 1 1338 1173 134 SER HB2 H 3.831 0.020 1 1339 1173 134 SER HB3 H 3.830 0.020 1 1340 1173 134 SER C C 175.345 0.200 1 1341 1173 134 SER CA C 60.996 0.200 1 1342 1173 134 SER CB C 63.219 0.007 1 1343 1173 134 SER N N 112.704 0.200 1 1344 1174 135 GLY H H 7.869 0.020 1 1345 1174 135 GLY HA2 H 3.695 0.020 1 1346 1174 135 GLY HA3 H 3.971 0.020 1 1347 1174 135 GLY C C 173.538 0.200 1 1348 1174 135 GLY CA C 45.031 0.001 1 1349 1174 135 GLY N N 107.801 0.200 1 1350 1175 136 HIS H H 7.575 0.020 1 1351 1175 136 HIS HA H 5.007 0.020 1 1352 1175 136 HIS HB2 H 3.256 0.020 1 1353 1175 136 HIS HB3 H 3.009 0.020 1 1354 1175 136 HIS HD2 H 7.193 0.020 1 1355 1175 136 HIS HE1 H 8.298 0.020 1 1356 1175 136 HIS CA C 53.512 0.200 1 1357 1175 136 HIS CB C 29.383 0.004 1 1358 1175 136 HIS CD2 C 121.188 0.200 1 1359 1175 136 HIS CE1 C 137.082 0.200 1 1360 1175 136 HIS N N 117.206 0.200 1 1361 1176 137 PRO HA H 4.367 0.020 1 1362 1176 137 PRO HB2 H 1.900 0.020 1 1363 1176 137 PRO HB3 H 2.226 0.020 1 1364 1176 137 PRO HG2 H 1.956 0.020 1 1365 1176 137 PRO HG3 H 1.956 0.020 1 1366 1176 137 PRO HD2 H 3.420 0.020 1 1367 1176 137 PRO HD3 H 3.504 0.020 1 1368 1176 137 PRO C C 178.002 0.200 1 1369 1176 137 PRO CA C 64.210 0.200 1 1370 1176 137 PRO CB C 31.586 0.009 1 1371 1176 137 PRO CG C 27.456 0.200 1 1372 1176 137 PRO CD C 50.400 0.007 1 1373 1177 138 GLY H H 8.641 0.020 1 1374 1177 138 GLY HA2 H 3.820 0.020 1 1375 1177 138 GLY HA3 H 3.923 0.020 1 1376 1177 138 GLY C C 173.698 0.200 1 1377 1177 138 GLY CA C 45.390 0.002 1 1378 1177 138 GLY N N 108.771 0.200 1 1379 1178 139 ASP H H 7.577 0.020 1 1380 1178 139 ASP HA H 4.948 0.020 1 1381 1178 139 ASP HB2 H 2.610 0.020 1 1382 1178 139 ASP HB3 H 2.966 0.020 1 1383 1178 139 ASP CA C 51.406 0.200 1 1384 1178 139 ASP CB C 42.381 0.200 1 1385 1178 139 ASP N N 121.217 0.200 1 1386 1179 140 PRO HA H 4.251 0.020 1 1387 1179 140 PRO HB2 H 2.301 0.020 1 1388 1179 140 PRO HB3 H 1.946 0.020 1 1389 1179 140 PRO HG2 H 1.980 0.020 1 1390 1179 140 PRO HG3 H 2.094 0.020 1 1391 1179 140 PRO HD2 H 3.909 0.020 1 1392 1179 140 PRO HD3 H 4.132 0.020 1 1393 1179 140 PRO C C 179.278 0.200 1 1394 1179 140 PRO CA C 65.099 0.200 1 1395 1179 140 PRO CB C 32.193 0.002 1 1396 1179 140 PRO CG C 27.373 0.002 1 1397 1179 140 PRO CD C 51.313 0.012 1 1398 1180 141 GLU H H 8.150 0.020 1 1399 1180 141 GLU HA H 4.051 0.020 1 1400 1180 141 GLU HB2 H 2.017 0.020 1 1401 1180 141 GLU HB3 H 2.068 0.020 1 1402 1180 141 GLU HG2 H 2.248 0.020 1 1403 1180 141 GLU HG3 H 2.171 0.020 1 1404 1180 141 GLU C C 179.278 0.200 1 1405 1180 141 GLU CA C 59.330 0.200 1 1406 1180 141 GLU CB C 29.130 0.001 1 1407 1180 141 GLU CG C 36.608 0.009 1 1408 1180 141 GLU N N 118.593 0.200 1 1409 1181 142 SER H H 7.840 0.020 1 1410 1181 142 SER HA H 4.119 0.020 1 1411 1181 142 SER HB2 H 4.014 0.020 1 1412 1181 142 SER HB3 H 3.820 0.020 1 1413 1181 142 SER C C 176.780 0.200 1 1414 1181 142 SER CA C 61.965 0.200 1 1415 1181 142 SER CB C 62.936 0.007 1 1416 1181 142 SER N N 116.211 0.200 1 1417 1182 143 GLN H H 7.805 0.020 1 1418 1182 143 GLN HA H 3.900 0.020 1 1419 1182 143 GLN HB2 H 2.037 0.020 1 1420 1182 143 GLN HB3 H 2.128 0.020 1 1421 1182 143 GLN HG2 H 2.356 0.020 1 1422 1182 143 GLN HG3 H 2.456 0.020 1 1423 1182 143 GLN HE21 H 6.423 0.020 1 1424 1182 143 GLN HE22 H 7.373 0.020 1 1425 1182 143 GLN CA C 58.855 0.200 1 1426 1182 143 GLN CB C 27.782 0.003 1 1427 1182 143 GLN CG C 33.554 0.002 1 1428 1182 143 GLN N N 119.759 0.200 1 1429 1182 143 GLN NE2 N 110.977 0.005 1 1430 1183 144 GLN H H 8.042 0.020 1 1431 1183 144 GLN HA H 4.056 0.020 1 1432 1183 144 GLN HB2 H 2.136 0.020 1 1433 1183 144 GLN HB3 H 2.072 0.020 1 1434 1183 144 GLN HG2 H 2.424 0.020 1 1435 1183 144 GLN HG3 H 2.370 0.020 1 1436 1183 144 GLN C C 178.587 0.200 1 1437 1183 144 GLN CA C 58.752 0.200 1 1438 1183 144 GLN CB C 28.314 0.003 1 1439 1183 144 GLN CG C 33.888 0.004 1 1440 1183 144 GLN N N 120.205 0.200 1 1441 1184 145 ARG H H 8.032 0.020 1 1442 1184 145 ARG HA H 3.986 0.020 1 1443 1184 145 ARG HB2 H 1.858 0.020 1 1444 1184 145 ARG HB3 H 1.751 0.020 1 1445 1184 145 ARG HG2 H 1.700 0.020 1 1446 1184 145 ARG HG3 H 1.447 0.020 1 1447 1184 145 ARG HD2 H 3.152 0.020 1 1448 1184 145 ARG HD3 H 3.152 0.020 1 1449 1184 145 ARG C C 179.158 0.200 1 1450 1184 145 ARG CA C 59.566 0.200 1 1451 1184 145 ARG CB C 30.311 0.002 1 1452 1184 145 ARG CG C 28.058 0.002 1 1453 1184 145 ARG CD C 43.275 0.200 1 1454 1184 145 ARG N N 120.490 0.200 1 1455 1185 146 LEU H H 7.942 0.020 1 1456 1185 146 LEU HA H 3.872 0.020 1 1457 1185 146 LEU HB2 H 1.750 0.020 1 1458 1185 146 LEU HB3 H 1.496 0.020 1 1459 1185 146 LEU HG H 1.485 0.020 1 1460 1185 146 LEU HD1 H 0.773 0.020 1 1461 1185 146 LEU HD2 H 0.737 0.020 1 1462 1185 146 LEU C C 177.644 0.200 1 1463 1185 146 LEU CA C 57.864 0.200 1 1464 1185 146 LEU CB C 41.588 0.003 1 1465 1185 146 LEU CG C 26.528 0.200 1 1466 1185 146 LEU CD1 C 26.199 0.200 1 1467 1185 146 LEU CD2 C 24.785 0.200 1 1468 1185 146 LEU N N 119.314 0.200 1 1469 1186 147 ALA H H 7.821 0.020 1 1470 1186 147 ALA HA H 3.903 0.020 1 1471 1186 147 ALA HB H 1.436 0.020 1 1472 1186 147 ALA CA C 55.272 0.200 1 1473 1186 147 ALA CB C 17.670 0.200 1 1474 1186 147 ALA N N 119.918 0.200 1 1475 1187 148 GLN H H 7.914 0.020 1 1476 1187 148 GLN HA H 4.003 0.020 1 1477 1187 148 GLN HB2 H 2.212 0.020 1 1478 1187 148 GLN HB3 H 2.128 0.020 1 1479 1187 148 GLN HG2 H 2.467 0.020 1 1480 1187 148 GLN HG3 H 2.402 0.020 1 1481 1187 148 GLN HE21 H 6.810 0.020 1 1482 1187 148 GLN HE22 H 7.376 0.020 1 1483 1187 148 GLN C C 179.467 0.200 1 1484 1187 148 GLN CA C 58.980 0.200 1 1485 1187 148 GLN CB C 28.271 0.002 1 1486 1187 148 GLN CG C 33.667 0.200 1 1487 1187 148 GLN N N 117.986 0.200 1 1488 1187 148 GLN NE2 N 111.729 0.200 1 1489 1188 149 VAL H H 8.116 0.020 1 1490 1188 149 VAL HA H 3.908 0.020 1 1491 1188 149 VAL HB H 2.073 0.020 1 1492 1188 149 VAL HG1 H 1.061 0.020 1 1493 1188 149 VAL HG2 H 0.933 0.020 1 1494 1188 149 VAL C C 178.736 0.200 1 1495 1188 149 VAL CA C 65.631 0.200 1 1496 1188 149 VAL CB C 31.347 0.200 1 1497 1188 149 VAL CG1 C 22.301 0.200 1 1498 1188 149 VAL CG2 C 22.256 0.200 1 1499 1188 149 VAL N N 120.017 0.200 1 1500 1189 150 ALA H H 8.539 0.020 1 1501 1189 150 ALA HA H 3.912 0.020 1 1502 1189 150 ALA HB H 1.402 0.020 1 1503 1189 150 ALA CA C 56.152 0.200 1 1504 1189 150 ALA CB C 18.785 0.200 1 1505 1189 150 ALA N N 124.010 0.200 1 1506 1190 151 LYS HA H 4.034 0.020 1 1507 1190 151 LYS HB2 H 1.898 0.020 1 1508 1190 151 LYS C C 178.516 0.200 1 1509 1190 151 LYS CA C 59.301 0.200 1 1510 1190 151 LYS CB C 32.044 0.200 1 1511 1191 152 ALA H H 7.477 0.020 1 1512 1191 152 ALA HA H 4.194 0.020 1 1513 1191 152 ALA HB H 1.517 0.020 1 1514 1191 152 ALA C C 181.601 0.200 1 1515 1191 152 ALA CA C 55.020 0.200 1 1516 1191 152 ALA CB C 17.783 0.200 1 1517 1191 152 ALA N N 120.969 0.200 1 1518 1192 153 VAL H H 8.106 0.020 1 1519 1192 153 VAL HA H 3.525 0.020 1 1520 1192 153 VAL HB H 2.269 0.020 1 1521 1192 153 VAL HG1 H 0.839 0.020 1 1522 1192 153 VAL HG2 H 0.949 0.020 1 1523 1192 153 VAL C C 177.489 0.200 1 1524 1192 153 VAL CA C 66.567 0.200 1 1525 1192 153 VAL CB C 30.968 0.200 1 1526 1192 153 VAL CG1 C 22.356 0.200 1 1527 1192 153 VAL CG2 C 23.536 0.200 1 1528 1192 153 VAL N N 118.920 0.200 1 1529 1193 154 THR H H 8.430 0.020 1 1530 1193 154 THR HA H 3.780 0.020 1 1531 1193 154 THR HB H 4.343 0.020 1 1532 1193 154 THR HG2 H 1.213 0.020 1 1533 1193 154 THR C C 177.152 0.200 1 1534 1193 154 THR CA C 67.395 0.200 1 1535 1193 154 THR CB C 68.201 0.200 1 1536 1193 154 THR CG2 C 21.883 0.200 1 1537 1193 154 THR N N 116.600 0.200 1 1538 1194 155 GLN H H 8.323 0.020 1 1539 1194 155 GLN HA H 4.052 0.020 1 1540 1194 155 GLN HB2 H 2.139 0.020 1 1541 1194 155 GLN HB3 H 2.020 0.020 1 1542 1194 155 GLN HG2 H 2.496 0.020 1 1543 1194 155 GLN HG3 H 2.339 0.020 1 1544 1194 155 GLN HE21 H 6.857 0.020 1 1545 1194 155 GLN HE22 H 7.494 0.020 1 1546 1194 155 GLN C C 178.584 0.200 1 1547 1194 155 GLN CA C 59.122 0.200 1 1548 1194 155 GLN CB C 28.332 0.004 1 1549 1194 155 GLN CG C 34.164 0.003 1 1550 1194 155 GLN N N 120.472 0.200 1 1551 1194 155 GLN NE2 N 111.738 0.003 1 1552 1195 156 ALA H H 7.637 0.020 1 1553 1195 156 ALA HA H 4.118 0.020 1 1554 1195 156 ALA HB H 1.455 0.020 1 1555 1195 156 ALA C C 180.536 0.200 1 1556 1195 156 ALA CA C 55.178 0.200 1 1557 1195 156 ALA CB C 17.722 0.200 1 1558 1195 156 ALA N N 123.153 0.200 1 1559 1196 157 LEU H H 8.888 0.020 1 1560 1196 157 LEU HA H 3.818 0.020 1 1561 1196 157 LEU HB2 H 2.159 0.020 1 1562 1196 157 LEU HB3 H 1.323 0.020 1 1563 1196 157 LEU HG H 1.823 0.020 1 1564 1196 157 LEU HD1 H 0.844 0.020 1 1565 1196 157 LEU HD2 H 0.764 0.020 1 1566 1196 157 LEU C C 178.678 0.200 1 1567 1196 157 LEU CA C 58.259 0.200 1 1568 1196 157 LEU CB C 41.809 0.200 1 1569 1196 157 LEU CG C 26.313 0.200 1 1570 1196 157 LEU CD1 C 25.943 0.200 1 1571 1196 157 LEU CD2 C 24.433 0.200 1 1572 1196 157 LEU N N 121.751 0.200 1 1573 1197 158 ASN H H 7.821 0.020 1 1574 1197 158 ASN HA H 4.405 0.020 1 1575 1197 158 ASN HB2 H 2.852 0.020 1 1576 1197 158 ASN HB3 H 2.784 0.020 1 1577 1197 158 ASN HD21 H 6.852 0.020 1 1578 1197 158 ASN HD22 H 7.491 0.020 1 1579 1197 158 ASN C C 178.534 0.200 1 1580 1197 158 ASN CA C 55.880 0.200 1 1581 1197 158 ASN CB C 37.878 0.200 1 1582 1197 158 ASN N N 116.760 0.200 1 1583 1197 158 ASN ND2 N 111.731 0.004 1 1584 1198 159 ARG H H 7.858 0.020 1 1585 1198 159 ARG HA H 4.065 0.020 1 1586 1198 159 ARG HB2 H 1.943 0.020 1 1587 1198 159 ARG HB3 H 1.845 0.020 1 1588 1198 159 ARG HG2 H 1.787 0.020 1 1589 1198 159 ARG HG3 H 1.536 0.020 1 1590 1198 159 ARG HD2 H 3.152 0.020 1 1591 1198 159 ARG HD3 H 3.152 0.020 1 1592 1198 159 ARG C C 178.100 0.200 1 1593 1198 159 ARG CA C 59.154 0.200 1 1594 1198 159 ARG CB C 30.020 0.002 1 1595 1198 159 ARG CG C 28.227 0.001 1 1596 1198 159 ARG CD C 43.542 0.200 1 1597 1198 159 ARG N N 120.944 0.200 1 1598 1199 160 CYS H H 7.718 0.020 1 1599 1199 160 CYS HA H 4.195 0.020 1 1600 1199 160 CYS HB2 H 2.795 0.020 1 1601 1199 160 CYS HB3 H 3.011 0.020 1 1602 1199 160 CYS HG H 2.415 0.020 1 1603 1199 160 CYS C C 175.458 0.200 1 1604 1199 160 CYS CA C 62.620 0.200 1 1605 1199 160 CYS CB C 26.807 0.200 1 1606 1199 160 CYS N N 118.319 0.200 1 1607 1200 161 VAL H H 7.344 0.020 1 1608 1200 161 VAL HA H 3.802 0.020 1 1609 1200 161 VAL HB H 2.118 0.020 1 1610 1200 161 VAL HG1 H 1.008 0.020 1 1611 1200 161 VAL HG2 H 0.927 0.020 1 1612 1200 161 VAL C C 178.162 0.200 1 1613 1200 161 VAL CA C 64.770 0.200 1 1614 1200 161 VAL CB C 32.012 0.200 1 1615 1200 161 VAL CG1 C 22.645 0.200 1 1616 1200 161 VAL CG2 C 21.446 0.200 1 1617 1200 161 VAL N N 113.323 0.200 1 1618 1201 162 SER H H 7.850 0.020 1 1619 1201 162 SER HA H 4.270 0.020 1 1620 1201 162 SER HB2 H 3.935 0.020 1 1621 1201 162 SER HB3 H 3.867 0.020 1 1622 1201 162 SER C C 174.776 0.200 1 1623 1201 162 SER CA C 60.647 0.200 1 1624 1201 162 SER CB C 63.400 0.002 1 1625 1201 162 SER N N 114.323 0.200 1 1626 1202 163 CYS H H 7.427 0.020 1 1627 1202 163 CYS HA H 4.498 0.020 1 1628 1202 163 CYS HB2 H 2.888 0.020 1 1629 1202 163 CYS HB3 H 2.894 0.020 1 1630 1202 163 CYS C C 173.930 0.200 1 1631 1202 163 CYS CA C 58.918 0.200 1 1632 1202 163 CYS CB C 27.783 0.004 1 1633 1202 163 CYS N N 116.267 0.200 1 1634 1203 164 LEU H H 7.134 0.020 1 1635 1203 164 LEU HA H 4.298 0.020 1 1636 1203 164 LEU HB2 H 1.737 0.020 1 1637 1203 164 LEU HB3 H 1.404 0.020 1 1638 1203 164 LEU HG H 2.007 0.020 1 1639 1203 164 LEU HD1 H 0.973 0.020 1 1640 1203 164 LEU HD2 H 0.860 0.020 1 1641 1203 164 LEU CA C 53.065 0.200 1 1642 1203 164 LEU CB C 40.702 0.004 1 1643 1203 164 LEU CG C 26.419 0.200 1 1644 1203 164 LEU CD1 C 26.107 0.200 1 1645 1203 164 LEU CD2 C 23.639 0.200 1 1646 1203 164 LEU N N 121.370 0.200 1 1647 1204 165 PRO HA H 4.379 0.020 1 1648 1204 165 PRO HB2 H 1.898 0.020 1 1649 1204 165 PRO HB3 H 2.233 0.020 1 1650 1204 165 PRO HG2 H 2.014 0.020 1 1651 1204 165 PRO HG3 H 1.951 0.020 1 1652 1204 165 PRO HD2 H 3.468 0.020 1 1653 1204 165 PRO HD3 H 3.658 0.020 1 1654 1204 165 PRO C C 177.316 0.200 1 1655 1204 165 PRO CA C 63.202 0.200 1 1656 1204 165 PRO CB C 31.987 0.200 1 1657 1204 165 PRO CG C 27.464 0.001 1 1658 1204 165 PRO CD C 50.165 0.002 1 1659 1205 166 GLY H H 8.427 0.020 1 1660 1205 166 GLY HA2 H 3.897 0.020 1 1661 1205 166 GLY HA3 H 3.855 0.020 1 1662 1205 166 GLY C C 174.095 0.200 1 1663 1205 166 GLY CA C 45.213 0.001 1 1664 1205 166 GLY N N 109.004 0.200 1 1665 1206 167 GLN H H 8.084 0.020 1 1666 1206 167 GLN HA H 4.256 0.020 1 1667 1206 167 GLN HB2 H 2.065 0.020 1 1668 1206 167 GLN HB3 H 1.926 0.020 1 1669 1206 167 GLN HG2 H 2.310 0.020 1 1670 1206 167 GLN HG3 H 2.247 0.020 1 1671 1206 167 GLN HE21 H 7.561 0.020 1 1672 1206 167 GLN HE22 H 6.763 0.020 1 1673 1206 167 GLN C C 175.107 0.200 1 1674 1206 167 GLN CA C 55.748 0.200 1 1675 1206 167 GLN CB C 29.548 0.006 1 1676 1206 167 GLN CG C 33.855 0.002 1 1677 1206 167 GLN N N 119.793 0.200 1 1678 1206 167 GLN NE2 N 112.997 0.003 1 1679 1207 168 ARG H H 7.949 0.020 1 1680 1207 168 ARG HA H 4.120 0.020 1 1681 1207 168 ARG HB2 H 1.640 0.020 1 1682 1207 168 ARG HB3 H 1.781 0.020 1 1683 1207 168 ARG HG2 H 1.512 0.020 1 1684 1207 168 ARG HG3 H 1.510 0.020 1 1685 1207 168 ARG HD2 H 3.111 0.020 1 1686 1207 168 ARG HD3 H 3.111 0.020 1 1687 1207 168 ARG CA C 57.338 0.200 1 1688 1207 168 ARG CB C 31.465 0.009 1 1689 1207 168 ARG CG C 26.972 0.010 1 1690 1207 168 ARG CD C 43.399 0.001 1 1691 1207 168 ARG N N 127.342 0.200 1 stop_ save_