data_17549 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Resonance Assignment of the von-Willebrand-factor-A-like domain 2 of type VII collagen ; _BMRB_accession_number 17549 _BMRB_flat_file_name bmr17549.str _Entry_type original _Submission_date 2011-03-24 _Accession_date 2011-03-24 _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 Leineweber Sarah . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 366 "13C chemical shifts" 325 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-05 update author 'update author sequence numbering' 2011-06-24 update BMRB 'update entry citation' 2011-05-04 original author 'original release' stop_ _Original_release_date 2011-03-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Insight into interactions of the von-Willebrand-factor-A-like domain 2 with the FNIII-like domain 9 of collagen VII by NMR and SPR. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21570975 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leineweber Sarah . . 2 Schonig Sarah . . 3 Seeger Karsten . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 585 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1748 _Page_last 1752 _Year 2011 _Details . loop_ _Keyword NMR 'domain interactions' 'skin structure' 'type VII collagen' vWFA2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'mvWFA2 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mvWFA2 $mvWFA2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mvWFA2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mvWFA2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 196 _Mol_residue_sequence ; GRAMGACSHGPVDVVFLLHA TRDNAHNAEAVRRVLERLVS ALGPLGPQAAQVGLLTYSHR PSPLFPLNSSHDLGIILRKI RDIPYVDPSGNNLGTAVTTA HRYLLASNAPGRRQQVPGVM VLLVDEPLRGDILSPIREAQ TSGLKVMALSLVGADPEQLR RLAPGTDPIQNFFAVDNGPG LDRAVSDLAVALCQAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 ARG 3 -2 ALA 4 -1 MET 5 0 GLY 6 1048 ALA 7 1049 CYS 8 1050 SER 9 1051 HIS 10 1052 GLY 11 1053 PRO 12 1054 VAL 13 1055 ASP 14 1056 VAL 15 1057 VAL 16 1058 PHE 17 1059 LEU 18 1060 LEU 19 1061 HIS 20 1062 ALA 21 1063 THR 22 1064 ARG 23 1065 ASP 24 1066 ASN 25 1067 ALA 26 1068 HIS 27 1069 ASN 28 1070 ALA 29 1071 GLU 30 1072 ALA 31 1073 VAL 32 1074 ARG 33 1075 ARG 34 1076 VAL 35 1077 LEU 36 1078 GLU 37 1079 ARG 38 1080 LEU 39 1081 VAL 40 1082 SER 41 1083 ALA 42 1084 LEU 43 1085 GLY 44 1086 PRO 45 1087 LEU 46 1088 GLY 47 1089 PRO 48 1090 GLN 49 1091 ALA 50 1092 ALA 51 1093 GLN 52 1094 VAL 53 1095 GLY 54 1096 LEU 55 1097 LEU 56 1098 THR 57 1099 TYR 58 1100 SER 59 1101 HIS 60 1102 ARG 61 1103 PRO 62 1104 SER 63 1105 PRO 64 1106 LEU 65 1107 PHE 66 1108 PRO 67 1109 LEU 68 1110 ASN 69 1111 SER 70 1112 SER 71 1113 HIS 72 1114 ASP 73 1115 LEU 74 1116 GLY 75 1117 ILE 76 1118 ILE 77 1119 LEU 78 1120 ARG 79 1121 LYS 80 1122 ILE 81 1123 ARG 82 1124 ASP 83 1125 ILE 84 1126 PRO 85 1127 TYR 86 1128 VAL 87 1129 ASP 88 1130 PRO 89 1131 SER 90 1132 GLY 91 1133 ASN 92 1134 ASN 93 1135 LEU 94 1136 GLY 95 1137 THR 96 1138 ALA 97 1139 VAL 98 1140 THR 99 1141 THR 100 1142 ALA 101 1143 HIS 102 1144 ARG 103 1145 TYR 104 1146 LEU 105 1147 LEU 106 1148 ALA 107 1149 SER 108 1150 ASN 109 1151 ALA 110 1152 PRO 111 1153 GLY 112 1154 ARG 113 1155 ARG 114 1156 GLN 115 1157 GLN 116 1158 VAL 117 1159 PRO 118 1160 GLY 119 1161 VAL 120 1162 MET 121 1163 VAL 122 1164 LEU 123 1165 LEU 124 1166 VAL 125 1167 ASP 126 1168 GLU 127 1169 PRO 128 1170 LEU 129 1171 ARG 130 1172 GLY 131 1173 ASP 132 1174 ILE 133 1175 LEU 134 1176 SER 135 1177 PRO 136 1178 ILE 137 1179 ARG 138 1180 GLU 139 1181 ALA 140 1182 GLN 141 1183 THR 142 1184 SER 143 1185 GLY 144 1186 LEU 145 1187 LYS 146 1188 VAL 147 1189 MET 148 1190 ALA 149 1191 LEU 150 1192 SER 151 1193 LEU 152 1194 VAL 153 1195 GLY 154 1196 ALA 155 1197 ASP 156 1198 PRO 157 1199 GLU 158 1200 GLN 159 1201 LEU 160 1202 ARG 161 1203 ARG 162 1204 LEU 163 1205 ALA 164 1206 PRO 165 1207 GLY 166 1208 THR 167 1209 ASP 168 1210 PRO 169 1211 ILE 170 1212 GLN 171 1213 ASN 172 1214 PHE 173 1215 PHE 174 1216 ALA 175 1217 VAL 176 1218 ASP 177 1219 ASN 178 1220 GLY 179 1221 PRO 180 1222 GLY 181 1223 LEU 182 1224 ASP 183 1225 ARG 184 1226 ALA 185 1227 VAL 186 1228 SER 187 1229 ASP 188 1230 LEU 189 1231 ALA 190 1232 VAL 191 1233 ALA 192 1234 LEU 193 1235 CYS 194 1236 GLN 195 1237 ALA 196 1238 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $mvWFA2 'house mouse' 10090 Eukaryota Metazoa Mus musculus 'expression construct was codon optimized and synthesized' 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 $mvWFA2 'recombinant technology' . Escherichia coli ER2566 pTWIN1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mvWFA2 2 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' TSP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 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' 0 . M pH 7.4 . pH pressure 1 . atm temperature 298 . 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 TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 internal indirect . . . 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 '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D 1H-15N NOESY' '3D HNHA' '3D 1H-15N TOCSY' '3D HN(CO)CA' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name mvWFA2 _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 1048 6 ALA H H 8.136 0.025 1 2 1048 6 ALA HA H 4.391 0.000 1 3 1048 6 ALA N N 123.544 0.052 1 4 1050 8 SER HA H 4.339 0.000 1 5 1050 8 SER CA C 59.737 0.000 1 6 1051 9 HIS H H 8.500 0.011 1 7 1051 9 HIS HA H 4.732 0.023 1 8 1051 9 HIS C C 175.350 0.000 1 9 1051 9 HIS CA C 56.710 0.042 1 10 1051 9 HIS N N 125.465 0.044 1 11 1052 10 GLY H H 8.250 0.006 1 12 1052 10 GLY HA2 H 4.340 0.009 2 13 1052 10 GLY HA3 H 3.722 0.039 2 14 1052 10 GLY CA C 44.725 0.053 1 15 1052 10 GLY N N 109.149 0.026 1 16 1053 11 PRO HA H 4.286 0.003 1 17 1053 11 PRO C C 175.354 0.000 1 18 1053 11 PRO CA C 63.546 0.034 1 19 1054 12 VAL H H 6.802 0.008 1 20 1054 12 VAL HA H 4.465 0.012 1 21 1054 12 VAL C C 171.518 0.000 1 22 1054 12 VAL CA C 60.942 0.059 1 23 1054 12 VAL N N 115.972 0.061 1 24 1055 13 ASP H H 8.421 0.006 1 25 1055 13 ASP HA H 5.257 0.016 1 26 1055 13 ASP C C 173.752 0.000 1 27 1055 13 ASP CA C 53.782 0.035 1 28 1055 13 ASP N N 129.459 0.046 1 29 1056 14 VAL H H 8.658 0.007 1 30 1056 14 VAL HA H 4.916 0.010 1 31 1056 14 VAL C C 173.791 0.000 1 32 1056 14 VAL CA C 60.382 0.074 1 33 1056 14 VAL N N 123.525 0.057 1 34 1057 15 VAL H H 8.638 0.006 1 35 1057 15 VAL HA H 4.647 0.014 1 36 1057 15 VAL C C 174.186 0.000 1 37 1057 15 VAL CA C 59.692 0.064 1 38 1057 15 VAL N N 123.372 0.078 1 39 1058 16 PHE H H 7.969 0.010 1 40 1058 16 PHE HA H 5.149 0.018 1 41 1058 16 PHE C C 174.444 0.000 1 42 1058 16 PHE CA C 57.052 0.068 1 43 1058 16 PHE N N 124.696 0.065 1 44 1059 17 LEU H H 9.206 0.008 1 45 1059 17 LEU HA H 5.710 0.022 1 46 1059 17 LEU C C 174.788 0.000 1 47 1059 17 LEU CA C 54.963 0.085 1 48 1059 17 LEU N N 123.517 0.039 1 49 1060 18 LEU H H 8.465 0.006 1 50 1060 18 LEU HA H 4.957 0.022 1 51 1060 18 LEU C C 173.680 0.000 1 52 1060 18 LEU CA C 53.645 0.035 1 53 1060 18 LEU N N 120.189 0.043 1 54 1061 19 HIS H H 8.649 0.015 1 55 1061 19 HIS HA H 3.700 0.017 1 56 1061 19 HIS C C 174.241 0.000 1 57 1061 19 HIS CA C 52.281 0.042 1 58 1061 19 HIS N N 126.507 0.084 1 59 1062 20 ALA H H 8.227 0.006 1 60 1062 20 ALA HA H 4.749 0.015 1 61 1062 20 ALA C C 174.565 0.000 1 62 1062 20 ALA CA C 52.489 0.004 1 63 1062 20 ALA N N 134.820 0.043 1 64 1063 21 THR H H 8.939 0.004 1 65 1063 21 THR HA H 4.660 0.007 1 66 1063 21 THR C C 173.955 0.000 1 67 1063 21 THR CA C 59.003 0.058 1 68 1063 21 THR N N 118.081 0.034 1 69 1064 22 ARG H H 9.145 0.004 1 70 1064 22 ARG HA H 4.135 0.014 1 71 1064 22 ARG CA C 58.601 0.001 1 72 1064 22 ARG N N 117.418 0.052 1 73 1065 23 ASP H H 7.884 0.004 1 74 1065 23 ASP HA H 4.693 0.008 1 75 1065 23 ASP CA C 55.672 0.057 1 76 1065 23 ASP N N 116.274 0.061 1 77 1066 24 ASN H H 7.764 0.007 1 78 1066 24 ASN HA H 4.957 0.016 1 79 1066 24 ASN C C 177.194 0.000 1 80 1066 24 ASN CA C 51.910 0.032 1 81 1066 24 ASN N N 117.972 0.077 1 82 1067 25 ALA H H 7.279 0.013 1 83 1067 25 ALA HA H 3.542 0.011 1 84 1067 25 ALA CA C 55.180 0.000 1 85 1067 25 ALA N N 122.979 0.049 1 86 1068 26 HIS HA H 4.406 0.003 1 87 1068 26 HIS C C 176.483 0.000 1 88 1068 26 HIS CA C 57.973 0.000 1 89 1069 27 ASN H H 7.218 0.009 1 90 1069 27 ASN HA H 5.098 0.008 1 91 1069 27 ASN C C 175.294 0.000 1 92 1069 27 ASN CA C 52.121 0.097 1 93 1069 27 ASN N N 119.947 0.053 1 94 1070 28 ALA H H 7.330 0.004 1 95 1070 28 ALA HA H 3.815 0.007 1 96 1070 28 ALA C C 180.470 0.000 1 97 1070 28 ALA CA C 56.184 0.022 1 98 1070 28 ALA N N 121.638 0.052 1 99 1071 29 GLU H H 8.552 0.006 1 100 1071 29 GLU HA H 4.003 0.019 1 101 1071 29 GLU C C 178.238 0.000 1 102 1071 29 GLU CA C 59.650 0.004 1 103 1071 29 GLU N N 118.176 0.048 1 104 1072 30 ALA H H 7.864 0.008 1 105 1072 30 ALA HA H 4.036 0.008 1 106 1072 30 ALA C C 180.237 0.000 1 107 1072 30 ALA CA C 55.468 0.003 1 108 1072 30 ALA N N 123.188 0.035 1 109 1073 31 VAL H H 7.794 0.009 1 110 1073 31 VAL HA H 3.415 0.017 1 111 1073 31 VAL CA C 66.837 0.052 1 112 1073 31 VAL N N 117.318 0.061 1 113 1074 32 ARG H H 8.347 0.003 1 114 1074 32 ARG HA H 3.664 0.013 1 115 1074 32 ARG C C 178.355 0.000 1 116 1074 32 ARG CA C 60.512 0.063 1 117 1074 32 ARG N N 121.590 0.043 1 118 1075 33 ARG H H 7.687 0.006 1 119 1075 33 ARG HA H 4.026 0.006 1 120 1075 33 ARG C C 179.533 0.000 1 121 1075 33 ARG CA C 59.383 0.004 1 122 1075 33 ARG N N 118.130 0.052 1 123 1076 34 VAL H H 7.842 0.007 1 124 1076 34 VAL HA H 3.462 0.012 1 125 1076 34 VAL C C 177.395 0.000 1 126 1076 34 VAL CA C 66.856 0.025 1 127 1076 34 VAL N N 120.075 0.049 1 128 1077 35 LEU H H 8.427 0.006 1 129 1077 35 LEU HA H 3.584 0.017 1 130 1077 35 LEU CA C 57.936 0.053 1 131 1077 35 LEU N N 118.811 0.081 1 132 1078 36 GLU H H 8.600 0.010 1 133 1078 36 GLU HA H 3.638 0.020 1 134 1078 36 GLU C C 179.380 0.000 1 135 1078 36 GLU CA C 60.343 0.032 1 136 1078 36 GLU N N 118.046 0.033 1 137 1079 37 ARG H H 7.683 0.010 1 138 1079 37 ARG HA H 4.013 0.010 1 139 1079 37 ARG C C 179.353 0.000 1 140 1079 37 ARG CA C 59.207 0.057 1 141 1079 37 ARG N N 119.253 0.051 1 142 1080 38 LEU H H 8.365 0.006 1 143 1080 38 LEU HA H 4.005 0.005 1 144 1080 38 LEU C C 178.191 0.000 1 145 1080 38 LEU CA C 57.857 0.021 1 146 1080 38 LEU N N 119.307 0.034 1 147 1081 39 VAL H H 8.695 0.003 1 148 1081 39 VAL HA H 3.684 0.017 1 149 1081 39 VAL C C 179.505 0.000 1 150 1081 39 VAL CA C 66.826 0.081 1 151 1081 39 VAL N N 115.996 0.038 1 152 1082 40 SER H H 7.764 0.011 1 153 1082 40 SER HA H 4.245 0.000 1 154 1082 40 SER C C 176.035 0.000 1 155 1082 40 SER CA C 61.784 0.007 1 156 1082 40 SER N N 114.301 0.053 1 157 1083 41 ALA H H 7.696 0.007 1 158 1083 41 ALA HA H 4.287 0.006 1 159 1083 41 ALA C C 177.936 0.000 1 160 1083 41 ALA CA C 53.625 0.076 1 161 1083 41 ALA N N 123.144 0.033 1 162 1084 42 LEU H H 7.280 0.014 1 163 1084 42 LEU HA H 4.121 0.008 1 164 1084 42 LEU C C 177.647 0.000 1 165 1084 42 LEU CA C 55.813 0.060 1 166 1084 42 LEU N N 114.517 0.110 1 167 1085 43 GLY H H 7.272 0.006 1 168 1085 43 GLY HA2 H 4.066 0.010 2 169 1085 43 GLY HA3 H 3.624 0.009 2 170 1085 43 GLY CA C 43.913 0.093 1 171 1085 43 GLY N N 105.298 0.075 1 172 1086 44 PRO HA H 4.258 0.002 1 173 1086 44 PRO C C 176.179 0.000 1 174 1086 44 PRO CA C 63.780 0.005 1 175 1087 45 LEU H H 8.473 0.005 1 176 1087 45 LEU HA H 5.400 0.004 1 177 1087 45 LEU C C 178.582 0.000 1 178 1087 45 LEU CA C 53.079 0.029 1 179 1087 45 LEU N N 122.592 0.060 1 180 1088 46 GLY H H 9.131 0.008 1 181 1088 46 GLY HA2 H 4.342 0.018 2 182 1088 46 GLY HA3 H 3.184 0.004 2 183 1088 46 GLY CA C 45.547 0.039 1 184 1088 46 GLY N N 108.957 0.041 1 185 1089 47 PRO CA C 62.262 0.000 1 186 1090 48 GLN H H 7.738 0.013 1 187 1090 48 GLN HA H 4.613 0.120 1 188 1090 48 GLN C C 174.947 0.000 1 189 1090 48 GLN CA C 54.250 0.035 1 190 1090 48 GLN N N 122.857 0.073 1 191 1091 49 ALA H H 7.682 0.005 1 192 1091 49 ALA HA H 4.640 0.014 1 193 1091 49 ALA C C 175.992 0.000 1 194 1091 49 ALA CA C 51.849 0.017 1 195 1091 49 ALA N N 127.483 0.056 1 196 1092 50 ALA H H 8.475 0.005 1 197 1092 50 ALA HA H 5.334 0.025 1 198 1092 50 ALA C C 175.675 0.000 1 199 1092 50 ALA CA C 52.980 0.047 1 200 1092 50 ALA N N 128.661 0.036 1 201 1093 51 GLN H H 8.406 0.009 1 202 1093 51 GLN HA H 5.241 0.016 1 203 1093 51 GLN C C 174.266 0.000 1 204 1093 51 GLN CA C 55.585 0.003 1 205 1093 51 GLN N N 116.459 0.061 1 206 1094 52 VAL H H 8.666 0.014 1 207 1094 52 VAL HA H 5.809 0.017 1 208 1094 52 VAL C C 173.511 0.000 1 209 1094 52 VAL CA C 59.322 0.042 1 210 1094 52 VAL N N 116.665 0.086 1 211 1095 53 GLY H H 8.890 0.005 1 212 1095 53 GLY HA2 H 4.673 0.012 2 213 1095 53 GLY HA3 H 3.247 0.019 2 214 1095 53 GLY C C 172.200 0.000 1 215 1095 53 GLY CA C 43.403 0.075 1 216 1095 53 GLY N N 109.510 0.046 1 217 1096 54 LEU H H 8.031 0.011 1 218 1096 54 LEU HA H 5.151 0.064 1 219 1096 54 LEU C C 173.628 0.000 1 220 1096 54 LEU CA C 55.466 0.013 1 221 1096 54 LEU N N 119.687 0.082 1 222 1097 55 LEU H H 9.121 0.006 1 223 1097 55 LEU HA H 4.783 0.010 1 224 1097 55 LEU C C 174.278 0.000 1 225 1097 55 LEU CA C 54.254 0.039 1 226 1097 55 LEU N N 128.610 0.032 1 227 1098 56 THR H H 8.666 0.005 1 228 1098 56 THR HA H 5.955 0.011 1 229 1098 56 THR C C 173.174 0.000 1 230 1098 56 THR CA C 59.133 0.051 1 231 1098 56 THR N N 116.668 0.086 1 232 1099 57 TYR H H 8.868 0.006 1 233 1099 57 TYR HA H 5.418 0.007 1 234 1099 57 TYR CA C 56.556 0.002 1 235 1099 57 TYR N N 116.250 0.041 1 236 1100 58 SER H H 8.361 0.007 1 237 1100 58 SER HA H 4.589 0.062 1 238 1100 58 SER C C 174.606 0.000 1 239 1100 58 SER CA C 58.157 0.047 1 240 1100 58 SER N N 120.453 0.064 1 241 1101 59 HIS H H 8.335 0.002 1 242 1101 59 HIS HA H 4.774 0.013 1 243 1101 59 HIS C C 174.344 0.000 1 244 1101 59 HIS CA C 58.258 0.074 1 245 1101 59 HIS N N 120.250 0.016 1 246 1102 60 ARG H H 7.804 0.007 1 247 1102 60 ARG HA H 5.057 0.013 1 248 1102 60 ARG CA C 51.945 0.071 1 249 1102 60 ARG N N 117.886 0.034 1 250 1103 61 PRO HA H 5.101 0.005 1 251 1103 61 PRO C C 176.586 0.000 1 252 1103 61 PRO CA C 61.710 0.031 1 253 1104 62 SER H H 9.440 0.007 1 254 1104 62 SER HA H 4.924 0.005 1 255 1104 62 SER CA C 54.906 0.097 1 256 1104 62 SER N N 115.421 0.061 1 257 1105 63 PRO HA H 4.221 0.000 1 258 1105 63 PRO C C 175.209 0.000 1 259 1105 63 PRO CA C 63.183 0.000 1 260 1106 64 LEU H H 9.070 0.006 1 261 1106 64 LEU HA H 4.721 0.017 1 262 1106 64 LEU C C 177.952 0.000 1 263 1106 64 LEU CA C 56.503 0.059 1 264 1106 64 LEU N N 129.309 0.079 1 265 1107 65 PHE H H 7.536 0.007 1 266 1107 65 PHE HA H 5.154 0.003 1 267 1107 65 PHE CA C 54.872 0.009 1 268 1107 65 PHE N N 111.234 0.054 1 269 1108 66 PRO HA H 4.928 0.004 1 270 1108 66 PRO CA C 61.266 0.003 1 271 1109 67 LEU H H 8.747 0.008 1 272 1109 67 LEU HA H 3.923 0.031 1 273 1109 67 LEU C C 175.534 0.000 1 274 1109 67 LEU CA C 57.293 0.022 1 275 1109 67 LEU N N 116.206 0.071 1 276 1110 68 ASN H H 7.316 0.004 1 277 1110 68 ASN HA H 4.559 0.025 1 278 1110 68 ASN CA C 50.472 0.078 1 279 1110 68 ASN N N 108.681 0.031 1 280 1111 69 SER H H 7.754 0.005 1 281 1111 69 SER HA H 3.929 0.023 1 282 1111 69 SER C C 175.710 0.000 1 283 1111 69 SER CA C 61.920 0.005 1 284 1111 69 SER N N 117.838 0.044 1 285 1112 70 SER H H 7.642 0.005 1 286 1112 70 SER HA H 4.119 0.008 1 287 1112 70 SER CA C 58.502 0.019 1 288 1112 70 SER N N 109.323 0.034 1 289 1113 71 HIS H H 7.461 0.006 1 290 1113 71 HIS HA H 4.800 0.014 1 291 1113 71 HIS C C 172.263 0.000 1 292 1113 71 HIS CA C 55.731 0.023 1 293 1113 71 HIS N N 115.887 0.053 1 294 1114 72 ASP H H 8.426 0.009 1 295 1114 72 ASP HA H 4.825 0.014 1 296 1114 72 ASP C C 175.354 0.000 1 297 1114 72 ASP CA C 52.825 0.009 1 298 1114 72 ASP N N 122.607 0.027 1 299 1115 73 LEU H H 8.956 0.005 1 300 1115 73 LEU HA H 3.792 0.006 1 301 1115 73 LEU C C 177.385 0.000 1 302 1115 73 LEU CA C 58.566 0.058 1 303 1115 73 LEU N N 128.578 0.026 1 304 1116 74 GLY H H 8.209 0.004 1 305 1116 74 GLY HA2 H 3.878 0.030 2 306 1116 74 GLY HA3 H 3.653 0.004 2 307 1116 74 GLY C C 177.275 0.000 1 308 1116 74 GLY CA C 47.302 0.005 1 309 1116 74 GLY N N 104.487 0.060 1 310 1117 75 ILE H H 7.803 0.007 1 311 1117 75 ILE HA H 3.673 0.008 1 312 1117 75 ILE C C 178.648 0.000 1 313 1117 75 ILE CA C 63.759 0.011 1 314 1117 75 ILE N N 123.954 0.028 1 315 1118 76 ILE H H 8.030 0.008 1 316 1118 76 ILE HA H 3.198 0.010 1 317 1118 76 ILE C C 177.983 0.000 1 318 1118 76 ILE CA C 64.410 0.048 1 319 1118 76 ILE N N 121.598 0.063 1 320 1119 77 LEU H H 8.885 0.006 1 321 1119 77 LEU HA H 3.977 0.011 1 322 1119 77 LEU CA C 58.241 0.029 1 323 1119 77 LEU N N 117.577 0.031 1 324 1120 78 ARG H H 7.632 0.007 1 325 1120 78 ARG HA H 3.950 0.006 1 326 1120 78 ARG C C 178.230 0.000 1 327 1120 78 ARG CA C 59.263 0.006 1 328 1120 78 ARG N N 121.252 0.065 1 329 1121 79 LYS H H 8.053 0.006 1 330 1121 79 LYS HA H 4.035 0.008 1 331 1121 79 LYS C C 180.527 0.000 1 332 1121 79 LYS CA C 59.808 0.007 1 333 1121 79 LYS N N 119.432 0.028 1 334 1122 80 ILE H H 7.993 0.006 1 335 1122 80 ILE HA H 3.677 0.012 1 336 1122 80 ILE C C 177.666 0.000 1 337 1122 80 ILE CA C 64.359 0.008 1 338 1122 80 ILE N N 117.704 0.032 1 339 1123 81 ARG H H 7.937 0.005 1 340 1123 81 ARG HA H 3.845 0.012 1 341 1123 81 ARG C C 176.461 0.000 1 342 1123 81 ARG CA C 59.122 0.070 1 343 1123 81 ARG N N 122.098 0.024 1 344 1124 82 ASP H H 7.361 0.004 1 345 1124 82 ASP HA H 4.776 0.005 1 346 1124 82 ASP C C 176.183 0.000 1 347 1124 82 ASP CA C 53.906 0.019 1 348 1124 82 ASP N N 116.930 0.032 1 349 1125 83 ILE H H 7.078 0.010 1 350 1125 83 ILE HA H 3.823 0.011 1 351 1125 83 ILE CA C 61.490 0.001 1 352 1125 83 ILE N N 123.465 0.061 1 353 1126 84 PRO HA H 4.588 0.013 1 354 1126 84 PRO C C 176.003 0.000 1 355 1126 84 PRO CA C 62.327 0.073 1 356 1127 85 TYR H H 8.870 0.007 1 357 1127 85 TYR HA H 4.092 0.006 1 358 1127 85 TYR C C 175.389 0.000 1 359 1127 85 TYR CA C 57.249 0.080 1 360 1127 85 TYR N N 127.790 0.039 1 361 1128 86 VAL H H 7.642 0.009 1 362 1128 86 VAL HA H 4.415 0.013 1 363 1128 86 VAL CA C 61.929 0.077 1 364 1128 86 VAL N N 113.253 0.060 1 365 1129 87 ASP H H 8.807 0.005 1 366 1129 87 ASP HA H 4.842 0.034 1 367 1129 87 ASP CA C 53.938 0.002 1 368 1129 87 ASP N N 125.829 0.057 1 369 1130 88 PRO HA H 4.288 0.007 1 370 1130 88 PRO C C 175.679 0.000 1 371 1130 88 PRO CA C 65.048 0.004 1 372 1131 89 SER H H 7.718 0.005 1 373 1131 89 SER HA H 4.395 0.017 1 374 1131 89 SER C C 173.620 0.000 1 375 1131 89 SER CA C 58.520 0.046 1 376 1131 89 SER N N 107.835 0.040 1 377 1132 90 GLY H H 8.265 0.010 1 378 1132 90 GLY HA2 H 4.581 0.025 2 379 1132 90 GLY HA3 H 3.712 0.013 2 380 1132 90 GLY C C 173.483 0.000 1 381 1132 90 GLY CA C 44.939 0.084 1 382 1132 90 GLY N N 110.605 0.066 1 383 1133 91 ASN H H 8.145 0.009 1 384 1133 91 ASN HA H 4.725 0.124 1 385 1133 91 ASN C C 174.888 0.000 1 386 1133 91 ASN CA C 52.372 0.025 1 387 1133 91 ASN N N 123.343 0.040 1 388 1134 92 ASN H H 8.466 0.004 1 389 1134 92 ASN HA H 4.930 0.021 1 390 1134 92 ASN C C 174.235 0.000 1 391 1134 92 ASN CA C 51.779 0.060 1 392 1134 92 ASN N N 120.842 0.080 1 393 1135 93 LEU H H 7.548 0.005 1 394 1135 93 LEU HA H 3.016 0.009 1 395 1135 93 LEU C C 177.788 0.000 1 396 1135 93 LEU CA C 56.105 0.067 1 397 1135 93 LEU N N 124.941 0.031 1 398 1136 94 GLY H H 8.948 0.013 1 399 1136 94 GLY HA2 H 4.094 0.015 2 400 1136 94 GLY HA3 H 3.432 0.009 2 401 1136 94 GLY C C 175.264 0.000 1 402 1136 94 GLY CA C 48.451 0.060 1 403 1136 94 GLY N N 107.512 0.053 1 404 1137 95 THR H H 7.358 0.017 1 405 1137 95 THR HA H 4.155 0.010 1 406 1137 95 THR C C 177.537 0.000 1 407 1137 95 THR CA C 64.695 0.076 1 408 1137 95 THR N N 112.322 0.062 1 409 1138 96 ALA H H 7.093 0.004 1 410 1138 96 ALA HA H 3.820 0.009 1 411 1138 96 ALA C C 177.948 0.000 1 412 1138 96 ALA CA C 55.965 0.007 1 413 1138 96 ALA N N 127.623 0.057 1 414 1139 97 VAL H H 8.340 0.008 1 415 1139 97 VAL HA H 3.403 0.025 1 416 1139 97 VAL CA C 66.935 0.095 1 417 1139 97 VAL N N 120.410 0.049 1 418 1140 98 THR H H 7.884 0.005 1 419 1140 98 THR HA H 4.082 0.020 1 420 1140 98 THR C C 176.411 0.000 1 421 1140 98 THR CA C 66.868 0.051 1 422 1140 98 THR N N 116.289 0.026 1 423 1141 99 THR H H 8.216 0.007 1 424 1141 99 THR HA H 4.110 0.002 1 425 1141 99 THR C C 175.757 0.000 1 426 1141 99 THR CA C 67.691 0.016 1 427 1141 99 THR N N 117.357 0.036 1 428 1142 100 ALA H H 9.061 0.005 1 429 1142 100 ALA HA H 3.904 0.025 1 430 1142 100 ALA C C 179.458 0.000 1 431 1142 100 ALA CA C 55.587 0.066 1 432 1142 100 ALA N N 124.233 0.042 1 433 1143 101 HIS H H 8.784 0.005 1 434 1143 101 HIS HA H 4.091 0.013 1 435 1143 101 HIS C C 175.984 0.000 1 436 1143 101 HIS CA C 58.520 0.055 1 437 1143 101 HIS N N 118.559 0.038 1 438 1144 102 ARG H H 8.368 0.005 1 439 1144 102 ARG HA H 3.629 0.011 1 440 1144 102 ARG C C 177.882 0.000 1 441 1144 102 ARG CA C 59.248 0.060 1 442 1144 102 ARG N N 114.068 0.058 1 443 1145 103 TYR H H 8.574 0.005 1 444 1145 103 TYR HA H 4.664 0.011 1 445 1145 103 TYR C C 175.800 0.000 1 446 1145 103 TYR CA C 59.308 0.102 1 447 1145 103 TYR N N 111.530 0.030 1 448 1146 104 LEU H H 7.607 0.011 1 449 1146 104 LEU HA H 5.246 0.020 1 450 1146 104 LEU C C 177.921 0.000 1 451 1146 104 LEU CA C 55.475 0.002 1 452 1146 104 LEU N N 114.161 0.104 1 453 1147 105 LEU H H 7.599 0.006 1 454 1147 105 LEU HA H 4.659 0.008 1 455 1147 105 LEU C C 175.718 0.000 1 456 1147 105 LEU CA C 54.100 0.045 1 457 1147 105 LEU N N 115.410 0.041 1 458 1148 106 ALA H H 7.053 0.004 1 459 1148 106 ALA HA H 4.410 0.019 1 460 1148 106 ALA C C 177.619 0.000 1 461 1148 106 ALA CA C 52.319 0.010 1 462 1148 106 ALA N N 125.515 0.056 1 463 1149 107 SER H H 8.850 0.009 1 464 1149 107 SER HA H 3.919 0.003 1 465 1149 107 SER C C 174.563 0.000 1 466 1149 107 SER CA C 61.742 0.002 1 467 1149 107 SER N N 113.980 0.096 1 468 1150 108 ASN H H 7.844 0.007 1 469 1150 108 ASN HA H 4.807 0.018 1 470 1150 108 ASN CA C 52.093 0.072 1 471 1150 108 ASN N N 114.703 0.047 1 472 1151 109 ALA H H 7.939 0.006 1 473 1151 109 ALA HA H 4.445 0.007 1 474 1151 109 ALA CA C 50.524 0.029 1 475 1151 109 ALA N N 125.508 0.068 1 476 1152 110 PRO HA H 4.324 0.007 1 477 1152 110 PRO C C 177.733 0.000 1 478 1152 110 PRO CA C 63.835 0.029 1 479 1153 111 GLY H H 8.846 0.005 1 480 1153 111 GLY HA2 H 3.867 0.025 2 481 1153 111 GLY HA3 H 3.713 0.010 2 482 1153 111 GLY CA C 46.460 0.052 1 483 1153 111 GLY N N 112.824 0.062 1 484 1154 112 ARG H H 7.558 0.005 1 485 1154 112 ARG HA H 3.874 0.022 1 486 1154 112 ARG C C 176.989 0.000 1 487 1154 112 ARG CA C 55.903 0.006 1 488 1154 112 ARG N N 121.227 0.052 1 489 1155 113 ARG H H 8.914 0.005 1 490 1155 113 ARG HA H 4.580 0.004 1 491 1155 113 ARG C C 175.788 0.000 1 492 1155 113 ARG CA C 55.310 0.002 1 493 1155 113 ARG N N 132.063 0.064 1 494 1156 114 GLN H H 8.546 0.006 1 495 1156 114 GLN HA H 4.040 0.013 1 496 1156 114 GLN CA C 57.453 0.051 1 497 1156 114 GLN N N 121.312 0.047 1 498 1157 115 GLN H H 8.867 0.006 1 499 1157 115 GLN HA H 4.093 0.009 1 500 1157 115 GLN C C 174.849 0.000 1 501 1157 115 GLN CA C 57.047 0.096 1 502 1157 115 GLN N N 115.823 0.049 1 503 1158 116 VAL H H 7.587 0.013 1 504 1158 116 VAL HA H 4.650 0.009 1 505 1158 116 VAL CA C 58.585 0.086 1 506 1158 116 VAL N N 120.221 0.047 1 507 1159 117 PRO HA H 4.475 0.003 1 508 1159 117 PRO C C 174.927 0.000 1 509 1159 117 PRO CA C 63.785 0.000 1 510 1160 118 GLY H H 8.739 0.007 1 511 1160 118 GLY HA2 H 5.336 0.008 2 512 1160 118 GLY HA3 H 3.131 0.009 2 513 1160 118 GLY C C 172.756 0.000 1 514 1160 118 GLY CA C 43.815 0.045 1 515 1160 118 GLY N N 110.276 0.042 1 516 1161 119 VAL H H 9.050 0.007 1 517 1161 119 VAL HA H 4.875 0.006 1 518 1161 119 VAL C C 173.609 0.000 1 519 1161 119 VAL CA C 60.149 0.042 1 520 1161 119 VAL N N 125.302 0.037 1 521 1162 120 MET H H 9.167 0.006 1 522 1162 120 MET HA H 4.988 0.013 1 523 1162 120 MET CA C 53.794 0.050 1 524 1162 120 MET N N 126.035 0.081 1 525 1163 121 VAL H H 8.753 0.006 1 526 1163 121 VAL HA H 4.555 0.014 1 527 1163 121 VAL C C 174.215 0.000 1 528 1163 121 VAL CA C 60.976 0.071 1 529 1163 121 VAL N N 124.837 0.051 1 530 1164 122 LEU H H 9.409 0.007 1 531 1164 122 LEU HA H 4.645 0.007 1 532 1164 122 LEU C C 174.810 0.000 1 533 1164 122 LEU CA C 54.233 0.014 1 534 1164 122 LEU N N 127.006 0.052 1 535 1165 123 LEU H H 8.896 0.008 1 536 1165 123 LEU HA H 5.481 0.022 1 537 1165 123 LEU C C 177.009 0.000 1 538 1165 123 LEU CA C 56.190 0.039 1 539 1165 123 LEU N N 125.569 0.066 1 540 1166 124 VAL H H 8.784 0.010 1 541 1166 124 VAL HA H 4.385 0.022 1 542 1166 124 VAL C C 174.309 0.000 1 543 1166 124 VAL CA C 61.255 0.064 1 544 1166 124 VAL N N 125.051 0.053 1 545 1167 125 ASP H H 9.144 0.008 1 546 1167 125 ASP HA H 4.678 0.015 1 547 1167 125 ASP C C 173.879 0.000 1 548 1167 125 ASP CA C 53.184 0.085 1 549 1167 125 ASP N N 124.326 0.126 1 550 1168 126 GLU H H 7.310 0.005 1 551 1168 126 GLU HA H 4.790 0.016 1 552 1168 126 GLU CA C 54.553 0.061 1 553 1168 126 GLU N N 117.968 0.088 1 554 1169 127 PRO HA H 4.522 0.015 1 555 1169 127 PRO C C 176.234 0.000 1 556 1169 127 PRO CA C 63.817 0.064 1 557 1170 128 LEU H H 9.575 0.008 1 558 1170 128 LEU CA C 54.760 0.000 1 559 1170 128 LEU N N 126.188 0.033 1 560 1171 129 ARG CA C 55.207 0.000 1 561 1172 130 GLY H H 8.329 0.010 1 562 1172 130 GLY HA2 H 4.041 0.000 1 563 1172 130 GLY HA3 H 4.041 0.000 1 564 1172 130 GLY CA C 44.475 0.000 1 565 1172 130 GLY N N 108.622 0.079 1 566 1173 131 ASP HA H 4.735 0.018 1 567 1173 131 ASP C C 176.356 0.000 1 568 1173 131 ASP CA C 53.855 0.005 1 569 1174 132 ILE H H 8.224 0.007 1 570 1174 132 ILE HA H 4.219 0.011 1 571 1174 132 ILE C C 175.557 0.000 1 572 1174 132 ILE CA C 60.820 0.054 1 573 1174 132 ILE N N 118.891 0.058 1 574 1175 133 LEU H H 8.070 0.005 1 575 1175 133 LEU HA H 3.989 0.010 1 576 1175 133 LEU C C 178.762 0.000 1 577 1175 133 LEU CA C 58.115 0.005 1 578 1175 133 LEU N N 123.184 0.043 1 579 1176 134 SER H H 8.953 0.005 1 580 1176 134 SER HA H 4.322 0.009 1 581 1176 134 SER CA C 63.971 0.023 1 582 1176 134 SER N N 115.138 0.051 1 583 1177 135 PRO HA H 4.281 0.007 1 584 1177 135 PRO C C 180.030 0.000 1 585 1177 135 PRO CA C 65.340 0.007 1 586 1178 136 ILE H H 7.222 0.010 1 587 1178 136 ILE HA H 3.480 0.011 1 588 1178 136 ILE C C 177.029 0.000 1 589 1178 136 ILE CA C 65.975 0.006 1 590 1178 136 ILE N N 118.119 0.044 1 591 1179 137 ARG H H 8.791 0.004 1 592 1179 137 ARG HA H 4.272 0.024 1 593 1179 137 ARG C C 179.693 0.000 1 594 1179 137 ARG CA C 59.253 0.010 1 595 1179 137 ARG N N 121.221 0.045 1 596 1180 138 GLU H H 8.403 0.004 1 597 1180 138 GLU HA H 4.051 0.013 1 598 1180 138 GLU C C 179.067 0.000 1 599 1180 138 GLU CA C 59.198 0.078 1 600 1180 138 GLU N N 120.066 0.074 1 601 1181 139 ALA H H 7.714 0.008 1 602 1181 139 ALA HA H 3.420 0.009 1 603 1181 139 ALA CA C 55.216 0.096 1 604 1181 139 ALA N N 122.316 0.053 1 605 1182 140 GLN H H 8.612 0.005 1 606 1182 140 GLN HA H 4.493 0.017 1 607 1182 140 GLN C C 181.747 0.000 1 608 1182 140 GLN CA C 58.915 0.098 1 609 1182 140 GLN N N 118.451 0.055 1 610 1183 141 THR H H 8.956 0.004 1 611 1183 141 THR HA H 4.116 0.010 1 612 1183 141 THR CA C 65.871 0.087 1 613 1183 141 THR N N 116.913 0.058 1 614 1184 142 SER H H 7.405 0.011 1 615 1184 142 SER HA H 4.621 0.016 1 616 1184 142 SER C C 173.871 0.000 1 617 1184 142 SER CA C 59.721 0.000 1 618 1184 142 SER N N 116.433 0.033 1 619 1185 143 GLY H H 7.975 0.006 1 620 1185 143 GLY HA2 H 4.343 0.011 2 621 1185 143 GLY HA3 H 3.753 0.005 2 622 1185 143 GLY C C 174.524 0.000 1 623 1185 143 GLY CA C 45.062 0.052 1 624 1185 143 GLY N N 108.560 0.036 1 625 1186 144 LEU H H 7.524 0.009 1 626 1186 144 LEU HA H 4.511 0.014 1 627 1186 144 LEU C C 175.976 0.000 1 628 1186 144 LEU CA C 53.918 0.045 1 629 1186 144 LEU N N 120.307 0.034 1 630 1187 145 LYS H H 8.312 0.012 1 631 1187 145 LYS HA H 4.593 0.009 1 632 1187 145 LYS CA C 55.117 0.002 1 633 1187 145 LYS N N 121.648 0.037 1 634 1188 146 VAL H H 8.703 0.007 1 635 1188 146 VAL HA H 4.925 0.005 1 636 1188 146 VAL C C 174.869 0.000 1 637 1188 146 VAL CA C 61.299 0.033 1 638 1188 146 VAL N N 124.134 0.074 1 639 1189 147 MET H H 8.915 0.006 1 640 1189 147 MET HA H 5.248 0.017 1 641 1189 147 MET C C 173.957 0.000 1 642 1189 147 MET CA C 54.190 0.003 1 643 1189 147 MET N N 124.906 0.119 1 644 1190 148 ALA H H 9.015 0.004 1 645 1190 148 ALA HA H 5.606 0.030 1 646 1190 148 ALA C C 174.286 0.000 1 647 1190 148 ALA CA C 51.128 0.015 1 648 1190 148 ALA N N 122.276 0.039 1 649 1191 149 LEU H H 9.282 0.024 1 650 1191 149 LEU HA H 5.217 0.008 1 651 1191 149 LEU C C 174.426 0.000 1 652 1191 149 LEU CA C 53.565 0.037 1 653 1191 149 LEU N N 123.993 0.071 1 654 1192 150 SER H H 8.895 0.007 1 655 1192 150 SER HA H 5.169 0.016 1 656 1192 150 SER CA C 57.996 0.082 1 657 1192 150 SER N N 123.466 0.054 1 658 1193 151 LEU H H 8.812 0.009 1 659 1193 151 LEU HA H 4.524 0.010 1 660 1193 151 LEU C C 176.575 0.000 1 661 1193 151 LEU CA C 54.771 0.001 1 662 1193 151 LEU N N 126.002 0.072 1 663 1194 152 VAL H H 8.601 0.006 1 664 1194 152 VAL HA H 3.813 0.011 1 665 1194 152 VAL C C 176.144 0.000 1 666 1194 152 VAL CA C 65.800 0.061 1 667 1194 152 VAL N N 120.525 0.060 1 668 1195 153 GLY H H 8.787 0.009 1 669 1195 153 GLY HA2 H 4.698 0.022 2 670 1195 153 GLY HA3 H 3.569 0.008 2 671 1195 153 GLY C C 175.929 0.000 1 672 1195 153 GLY CA C 45.056 0.082 1 673 1195 153 GLY N N 116.360 0.065 1 674 1196 154 ALA H H 8.266 0.006 1 675 1196 154 ALA HA H 3.792 0.008 1 676 1196 154 ALA CA C 51.557 0.084 1 677 1196 154 ALA N N 121.406 0.047 1 678 1197 155 ASP H H 8.606 0.008 1 679 1197 155 ASP HA H 5.094 0.012 1 680 1197 155 ASP CA C 50.476 0.086 1 681 1197 155 ASP N N 118.671 0.051 1 682 1198 156 PRO HA H 4.102 0.006 1 683 1198 156 PRO CA C 64.137 0.041 1 684 1199 157 GLU H H 7.879 0.005 1 685 1199 157 GLU HA H 4.055 0.013 1 686 1199 157 GLU C C 178.832 0.000 1 687 1199 157 GLU CA C 57.626 0.099 1 688 1199 157 GLU N N 116.861 0.052 1 689 1200 158 GLN H H 7.521 0.008 1 690 1200 158 GLN HA H 3.940 0.010 1 691 1200 158 GLN CA C 59.245 0.006 1 692 1200 158 GLN N N 116.452 0.044 1 693 1201 159 LEU H H 7.454 0.009 1 694 1201 159 LEU HA H 4.196 0.007 1 695 1201 159 LEU C C 177.240 0.000 1 696 1201 159 LEU CA C 55.661 0.024 1 697 1201 159 LEU N N 116.074 0.051 1 698 1202 160 ARG H H 7.424 0.013 1 699 1202 160 ARG HA H 4.145 0.008 1 700 1202 160 ARG C C 177.130 0.000 1 701 1202 160 ARG CA C 57.893 0.071 1 702 1202 160 ARG N N 117.735 0.046 1 703 1203 161 ARG H H 7.467 0.007 1 704 1203 161 ARG HA H 4.327 0.017 1 705 1203 161 ARG C C 175.976 0.000 1 706 1203 161 ARG CA C 56.102 0.091 1 707 1203 161 ARG N N 117.663 0.039 1 708 1204 162 LEU H H 7.642 0.010 1 709 1204 162 LEU HA H 4.266 0.015 1 710 1204 162 LEU C C 176.422 0.000 1 711 1204 162 LEU CA C 55.416 0.073 1 712 1204 162 LEU N N 121.122 0.064 1 713 1205 163 ALA H H 7.847 0.008 1 714 1205 163 ALA HA H 4.609 0.015 1 715 1205 163 ALA CA C 50.656 0.084 1 716 1205 163 ALA N N 122.977 0.065 1 717 1206 164 PRO CA C 63.860 0.000 1 718 1207 165 GLY H H 8.609 0.005 1 719 1207 165 GLY HA2 H 4.131 0.007 2 720 1207 165 GLY HA3 H 3.835 0.003 2 721 1207 165 GLY C C 174.387 0.000 1 722 1207 165 GLY CA C 45.300 0.016 1 723 1207 165 GLY N N 109.994 0.045 1 724 1208 166 THR H H 7.736 0.008 1 725 1208 166 THR HA H 4.345 0.006 1 726 1208 166 THR C C 174.223 0.000 1 727 1208 166 THR CA C 61.859 0.007 1 728 1208 166 THR N N 113.066 0.050 1 729 1209 167 ASP H H 8.472 0.007 1 730 1209 167 ASP HA H 4.909 0.012 1 731 1209 167 ASP CA C 52.871 0.062 1 732 1209 167 ASP N N 124.320 0.062 1 733 1210 168 PRO HA H 4.352 0.004 1 734 1210 168 PRO C C 177.365 0.000 1 735 1210 168 PRO CA C 63.327 0.014 1 736 1211 169 ILE H H 8.230 0.009 1 737 1211 169 ILE HA H 4.224 0.008 1 738 1211 169 ILE C C 176.046 0.000 1 739 1211 169 ILE CA C 60.442 0.074 1 740 1211 169 ILE N N 120.275 0.115 1 741 1212 170 GLN H H 8.248 0.012 1 742 1212 170 GLN HA H 4.134 0.013 1 743 1212 170 GLN C C 173.421 0.000 1 744 1212 170 GLN CA C 56.910 0.023 1 745 1212 170 GLN N N 125.541 0.051 1 746 1213 171 ASN H H 7.961 0.020 1 747 1213 171 ASN HA H 5.395 0.009 1 748 1213 171 ASN CA C 51.945 0.030 1 749 1213 171 ASN N N 123.092 0.083 1 750 1214 172 PHE H H 8.624 0.007 1 751 1214 172 PHE CA C 57.213 0.000 1 752 1214 172 PHE N N 122.970 0.073 1 753 1215 173 PHE HA H 5.417 0.012 1 754 1215 173 PHE C C 173.691 0.000 1 755 1215 173 PHE CA C 55.784 0.007 1 756 1216 174 ALA H H 8.675 0.005 1 757 1216 174 ALA HA H 4.297 0.000 1 758 1216 174 ALA CA C 51.061 0.037 1 759 1216 174 ALA N N 129.160 0.043 1 760 1218 176 ASP HA H 4.479 0.008 1 761 1218 176 ASP CA C 53.512 0.002 1 762 1219 177 ASN H H 8.454 0.012 1 763 1219 177 ASN HA H 5.041 0.019 1 764 1219 177 ASN C C 175.358 0.000 1 765 1219 177 ASN CA C 53.426 0.083 1 766 1219 177 ASN N N 114.888 0.076 1 767 1220 178 GLY H H 9.266 0.005 1 768 1220 178 GLY HA2 H 4.439 0.006 2 769 1220 178 GLY HA3 H 3.906 0.007 2 770 1220 178 GLY CA C 44.045 0.000 1 771 1220 178 GLY N N 113.474 0.048 1 772 1221 179 PRO HA H 4.425 0.007 1 773 1221 179 PRO C C 179.263 0.000 1 774 1221 179 PRO CA C 64.677 0.064 1 775 1222 180 GLY H H 10.505 0.004 1 776 1222 180 GLY HA2 H 3.915 0.012 2 777 1222 180 GLY HA3 H 3.661 0.012 2 778 1222 180 GLY C C 177.244 0.000 1 779 1222 180 GLY CA C 46.996 0.052 1 780 1222 180 GLY N N 113.240 0.042 1 781 1223 181 LEU H H 6.971 0.006 1 782 1223 181 LEU HA H 4.276 0.007 1 783 1223 181 LEU C C 177.549 0.000 1 784 1223 181 LEU CA C 57.895 0.031 1 785 1223 181 LEU N N 127.350 0.034 1 786 1224 182 ASP H H 7.999 0.006 1 787 1224 182 ASP HA H 4.180 0.007 1 788 1224 182 ASP C C 179.208 0.000 1 789 1224 182 ASP CA C 57.863 0.010 1 790 1224 182 ASP N N 118.604 0.051 1 791 1225 183 ARG H H 7.979 0.010 1 792 1225 183 ARG HA H 4.284 0.002 1 793 1225 183 ARG C C 177.416 0.000 1 794 1225 183 ARG CA C 59.468 0.002 1 795 1225 183 ARG N N 119.879 0.065 1 796 1226 184 ALA H H 7.695 0.008 1 797 1226 184 ALA HA H 4.352 0.021 1 798 1226 184 ALA C C 179.306 0.000 1 799 1226 184 ALA CA C 55.369 0.081 1 800 1226 184 ALA N N 122.233 0.066 1 801 1227 185 VAL H H 8.623 0.005 1 802 1227 185 VAL HA H 3.365 0.009 1 803 1227 185 VAL C C 177.283 0.000 1 804 1227 185 VAL CA C 66.771 0.011 1 805 1227 185 VAL N N 116.443 0.051 1 806 1228 186 SER H H 7.967 0.009 1 807 1228 186 SER HA H 4.075 0.010 1 808 1228 186 SER C C 176.571 0.000 1 809 1228 186 SER CA C 62.090 0.005 1 810 1228 186 SER N N 115.954 0.031 1 811 1229 187 ASP H H 8.149 0.007 1 812 1229 187 ASP HA H 4.303 0.010 1 813 1229 187 ASP CA C 57.243 0.052 1 814 1229 187 ASP N N 122.208 0.038 1 815 1230 188 LEU H H 7.948 0.009 1 816 1230 188 LEU HA H 3.232 0.019 1 817 1230 188 LEU C C 177.424 0.000 1 818 1230 188 LEU CA C 57.489 0.024 1 819 1230 188 LEU N N 125.065 0.071 1 820 1231 189 ALA H H 8.647 0.004 1 821 1231 189 ALA HA H 3.805 0.004 1 822 1231 189 ALA C C 180.131 0.000 1 823 1231 189 ALA CA C 55.698 0.059 1 824 1231 189 ALA N N 121.744 0.034 1 825 1232 190 VAL H H 7.511 0.011 1 826 1232 190 VAL HA H 3.776 0.016 1 827 1232 190 VAL C C 177.850 0.000 1 828 1232 190 VAL CA C 66.071 0.037 1 829 1232 190 VAL N N 118.016 0.068 1 830 1233 191 ALA H H 7.544 0.020 1 831 1233 191 ALA HA H 4.221 0.183 1 832 1233 191 ALA C C 181.094 0.000 1 833 1233 191 ALA CA C 55.128 0.054 1 834 1233 191 ALA N N 122.959 0.066 1 835 1234 192 LEU H H 8.695 0.006 1 836 1234 192 LEU HA H 3.843 0.021 1 837 1234 192 LEU C C 178.089 0.000 1 838 1234 192 LEU CA C 57.999 0.000 1 839 1234 192 LEU N N 119.395 0.058 1 840 1235 193 CYS H H 7.818 0.006 1 841 1235 193 CYS HA H 4.402 0.003 1 842 1235 193 CYS C C 175.780 0.000 1 843 1235 193 CYS CA C 57.859 0.031 1 844 1235 193 CYS N N 116.230 0.046 1 845 1236 194 GLN H H 7.874 0.004 1 846 1236 194 GLN HA H 4.390 0.010 1 847 1236 194 GLN C C 175.839 0.000 1 848 1236 194 GLN CA C 56.159 0.054 1 849 1236 194 GLN N N 118.282 0.090 1 850 1237 195 ALA H H 7.593 0.013 1 851 1237 195 ALA HA H 4.176 0.005 1 852 1237 195 ALA C C 176.070 0.000 1 853 1237 195 ALA CA C 53.425 0.056 1 854 1237 195 ALA N N 123.315 0.102 1 855 1238 196 ALA H H 7.531 0.007 1 856 1238 196 ALA HA H 4.101 0.019 1 857 1238 196 ALA CA C 53.404 0.091 1 858 1238 196 ALA N N 126.295 0.030 1 stop_ save_