data_16441 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16441 _Entry.Title ; Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-bound form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-05 _Entry.Accession_date 2009-08-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ATP-bound-N-MNK _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lucia Banci . . . 16441 2 Ivano Bertini . . . 16441 3 Francesca Cantini . . . 16441 4 Sayaka Inagaki . . . 16441 5 Manuele Migliardi . . . 16441 6 Antonio Rosato . . . 16441 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16441 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ATP7A . 16441 ATPase . 16441 Menkes . 16441 NMR . 16441 'nucleotide binding protein' . 16441 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16441 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 675 16441 '15N chemical shifts' 193 16441 '1H chemical shifts' 1186 16441 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-05-28 2009-08-05 update BMRB 'edit entity name' 16441 2 . . 2010-01-20 2009-08-05 update BMRB 'complete entry citation' 16441 1 . . 2009-11-19 2009-08-05 original author 'original release' 16441 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16440 'ATP-free N- domain' 16441 PDB 2kmv 'ATP-free N- domain' 16441 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16441 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19917612 _Citation.Full_citation . _Citation.Title 'The Binding Mode of ATP Revealed by the Solution Structure of the N-domain of Human ATP7A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2537 _Citation.Page_last 2544 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lucia Banci . . . 16441 1 2 Ivano Bertini . . . 16441 1 3 Francesca Cantini . . . 16441 1 4 Sayaka Inagaki . . . 16441 1 5 Manuele Migliardi . . . 16441 1 6 Antonio Rosato . . . 16441 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16441 _Assembly.ID 1 _Assembly.Name 'ATP-bound N-MNK' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 N-MNK 1 $entity A . yes native no no . . . 16441 1 2 ATP 2 $ATP A . no native no no . . . 16441 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16441 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-MNK _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SFTMHGTPVVNQVKVLTESN RISHHKILAIVGTAESNSEH PLGTAITKYCKQELDTETLG TCIDFQVVPGCGISCKVTNI EGLLHKNNWNIEDNNIKNAS LVQIDASNEQSSTSSSMIID AQISNALNAQQYKVLIGNRE WMIRNGLVINNDVNDFMTEH ERKGRTAVLVAVDDELCGLI AIADT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'After cleavage of the tag, four amino acids (SFTM) from the restriction site are left at the N-terminus of the protein.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ATP _Entity.Nonpolymer_comp_label $chem_comp_ATP _Entity.Number_of_monomers 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'nucleotide binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19803.387 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PIR S36149 . . . . . . . . . . . . . . . . 16441 1 2 yes SWS NP_000043.3 . . . . . . . . . . . . . . . . 16441 1 3 no BMRB 16440 . "human Menkes protein" . . . . . 100.00 185 100.00 100.00 1.17e-131 . . . . 16441 1 4 no PDB 2KMV . "Solution Structure Of The Nucleotide Binding Domain Of The Human Menkes Protein In The Atp-Free Form" . . . . . 100.00 185 100.00 100.00 1.17e-131 . . . . 16441 1 5 no PDB 2KMX . "Solution Structure Of The Nucleotide Binding Domain Of The Human Menkes Protein In The Atp-Bound Form" . . . . . 100.00 185 100.00 100.00 1.17e-131 . . . . 16441 1 6 no DBJ BAG61422 . "unnamed protein product [Homo sapiens]" . . . . . 97.84 488 100.00 100.00 1.80e-126 . . . . 16441 1 7 no EMBL CAB08162 . "Menkes Disease (ATP7A) [Homo sapiens]" . . . . . 97.84 1376 98.90 99.45 8.46e-117 . . . . 16441 1 8 no EMBL CAB94714 . "Menkes disease [Homo sapiens]" . . . . . 97.84 1500 99.45 100.00 2.71e-117 . . . . 16441 1 9 no GB AAA35580 . "Cu++-transporting P-type ATPase [Homo sapiens]" . . . . . 97.84 1500 99.45 100.00 2.50e-117 . . . . 16441 1 10 no GB AAA96010 . "Menkes disease gene, partial [Homo sapiens]" . . . . . 97.84 1447 99.45 100.00 2.26e-117 . . . . 16441 1 11 no GB AAI56438 . "ATPase, Cu++ transporting, alpha polypeptide, partial [synthetic construct]" . . . . . 97.84 1500 100.00 100.00 3.15e-118 . . . . 16441 1 12 no GB EAW98605 . "ATPase, Cu++ transporting, alpha polypeptide (Menkes syndrome), isoform CRA_a [Homo sapiens]" . . . . . 97.84 1500 100.00 100.00 3.15e-118 . . . . 16441 1 13 no GB EAW98606 . "ATPase, Cu++ transporting, alpha polypeptide (Menkes syndrome), isoform CRA_b [Homo sapiens]" . . . . . 97.84 1509 100.00 100.00 2.97e-118 . . . . 16441 1 14 no REF NP_000043 . "copper-transporting ATPase 1 isoform 1 [Homo sapiens]" . . . . . 97.84 1500 100.00 100.00 3.15e-118 . . . . 16441 1 15 no REF NP_001269153 . "copper-transporting ATPase 1 isoform 2 [Homo sapiens]" . . . . . 97.84 1422 100.00 100.00 1.76e-118 . . . . 16441 1 16 no REF XP_002831882 . "PREDICTED: copper-transporting ATPase 1 [Pongo abelii]" . . . . . 97.84 1500 97.24 98.34 1.07e-114 . . . . 16441 1 17 no REF XP_003824455 . "PREDICTED: copper-transporting ATPase 1 isoform X1 [Pan paniscus]" . . . . . 97.84 1500 100.00 100.00 3.15e-118 . . . . 16441 1 18 no REF XP_004064479 . "PREDICTED: copper-transporting ATPase 1 [Gorilla gorilla gorilla]" . . . . . 97.84 1446 99.45 100.00 7.38e-118 . . . . 16441 1 19 no SP Q04656 . "RecName: Full=Copper-transporting ATPase 1; AltName: Full=Copper pump 1; AltName: Full=Menkes disease-associated protein" . . . . . 97.84 1500 100.00 100.00 3.15e-118 . . . . 16441 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'nucleotide binding' 16441 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 16441 1 2 . PHE . 16441 1 3 . THR . 16441 1 4 . MET . 16441 1 5 1051 HIS . 16441 1 6 1052 GLY . 16441 1 7 1053 THR . 16441 1 8 1054 PRO . 16441 1 9 1055 VAL . 16441 1 10 1056 VAL . 16441 1 11 1057 ASN . 16441 1 12 1058 GLN . 16441 1 13 1059 VAL . 16441 1 14 1060 LYS . 16441 1 15 1061 VAL . 16441 1 16 1062 LEU . 16441 1 17 1063 THR . 16441 1 18 1064 GLU . 16441 1 19 1065 SER . 16441 1 20 1066 ASN . 16441 1 21 1067 ARG . 16441 1 22 1068 ILE . 16441 1 23 1069 SER . 16441 1 24 1070 HIS . 16441 1 25 1071 HIS . 16441 1 26 1072 LYS . 16441 1 27 1073 ILE . 16441 1 28 1074 LEU . 16441 1 29 1075 ALA . 16441 1 30 1076 ILE . 16441 1 31 1077 VAL . 16441 1 32 1078 GLY . 16441 1 33 1079 THR . 16441 1 34 1080 ALA . 16441 1 35 1081 GLU . 16441 1 36 1082 SER . 16441 1 37 1083 ASN . 16441 1 38 1084 SER . 16441 1 39 1085 GLU . 16441 1 40 1086 HIS . 16441 1 41 1087 PRO . 16441 1 42 1088 LEU . 16441 1 43 1089 GLY . 16441 1 44 1090 THR . 16441 1 45 1091 ALA . 16441 1 46 1092 ILE . 16441 1 47 1093 THR . 16441 1 48 1094 LYS . 16441 1 49 1095 TYR . 16441 1 50 1096 CYS . 16441 1 51 1097 LYS . 16441 1 52 1098 GLN . 16441 1 53 1099 GLU . 16441 1 54 1100 LEU . 16441 1 55 1101 ASP . 16441 1 56 1102 THR . 16441 1 57 1103 GLU . 16441 1 58 1104 THR . 16441 1 59 1105 LEU . 16441 1 60 1106 GLY . 16441 1 61 1107 THR . 16441 1 62 1108 CYS . 16441 1 63 1109 ILE . 16441 1 64 1110 ASP . 16441 1 65 1111 PHE . 16441 1 66 1112 GLN . 16441 1 67 1113 VAL . 16441 1 68 1114 VAL . 16441 1 69 1115 PRO . 16441 1 70 1116 GLY . 16441 1 71 1117 CYS . 16441 1 72 1118 GLY . 16441 1 73 1119 ILE . 16441 1 74 1120 SER . 16441 1 75 1121 CYS . 16441 1 76 1122 LYS . 16441 1 77 1123 VAL . 16441 1 78 1124 THR . 16441 1 79 1125 ASN . 16441 1 80 1126 ILE . 16441 1 81 1127 GLU . 16441 1 82 1128 GLY . 16441 1 83 1129 LEU . 16441 1 84 1130 LEU . 16441 1 85 1131 HIS . 16441 1 86 1132 LYS . 16441 1 87 1133 ASN . 16441 1 88 1134 ASN . 16441 1 89 1135 TRP . 16441 1 90 1136 ASN . 16441 1 91 1137 ILE . 16441 1 92 1138 GLU . 16441 1 93 1139 ASP . 16441 1 94 1140 ASN . 16441 1 95 1141 ASN . 16441 1 96 1142 ILE . 16441 1 97 1143 LYS . 16441 1 98 1144 ASN . 16441 1 99 1145 ALA . 16441 1 100 1146 SER . 16441 1 101 1147 LEU . 16441 1 102 1148 VAL . 16441 1 103 1149 GLN . 16441 1 104 1150 ILE . 16441 1 105 1151 ASP . 16441 1 106 1152 ALA . 16441 1 107 1153 SER . 16441 1 108 1154 ASN . 16441 1 109 1155 GLU . 16441 1 110 1156 GLN . 16441 1 111 1157 SER . 16441 1 112 1158 SER . 16441 1 113 1159 THR . 16441 1 114 1160 SER . 16441 1 115 1161 SER . 16441 1 116 1162 SER . 16441 1 117 1163 MET . 16441 1 118 1164 ILE . 16441 1 119 1165 ILE . 16441 1 120 1166 ASP . 16441 1 121 1167 ALA . 16441 1 122 1168 GLN . 16441 1 123 1169 ILE . 16441 1 124 1170 SER . 16441 1 125 1171 ASN . 16441 1 126 1172 ALA . 16441 1 127 1173 LEU . 16441 1 128 1174 ASN . 16441 1 129 1175 ALA . 16441 1 130 1176 GLN . 16441 1 131 1177 GLN . 16441 1 132 1178 TYR . 16441 1 133 1179 LYS . 16441 1 134 1180 VAL . 16441 1 135 1181 LEU . 16441 1 136 1182 ILE . 16441 1 137 1183 GLY . 16441 1 138 1184 ASN . 16441 1 139 1185 ARG . 16441 1 140 1186 GLU . 16441 1 141 1187 TRP . 16441 1 142 1188 MET . 16441 1 143 1189 ILE . 16441 1 144 1190 ARG . 16441 1 145 1191 ASN . 16441 1 146 1192 GLY . 16441 1 147 1193 LEU . 16441 1 148 1194 VAL . 16441 1 149 1195 ILE . 16441 1 150 1196 ASN . 16441 1 151 1197 ASN . 16441 1 152 1198 ASP . 16441 1 153 1199 VAL . 16441 1 154 1200 ASN . 16441 1 155 1201 ASP . 16441 1 156 1202 PHE . 16441 1 157 1203 MET . 16441 1 158 1204 THR . 16441 1 159 1205 GLU . 16441 1 160 1206 HIS . 16441 1 161 1207 GLU . 16441 1 162 1208 ARG . 16441 1 163 1209 LYS . 16441 1 164 1210 GLY . 16441 1 165 1211 ARG . 16441 1 166 1212 THR . 16441 1 167 1213 ALA . 16441 1 168 1214 VAL . 16441 1 169 1215 LEU . 16441 1 170 1216 VAL . 16441 1 171 1217 ALA . 16441 1 172 1218 VAL . 16441 1 173 1219 ASP . 16441 1 174 1220 ASP . 16441 1 175 1221 GLU . 16441 1 176 1222 LEU . 16441 1 177 1223 CYS . 16441 1 178 1224 GLY . 16441 1 179 1225 LEU . 16441 1 180 1226 ILE . 16441 1 181 1227 ALA . 16441 1 182 1228 ILE . 16441 1 183 1229 ALA . 16441 1 184 1230 ASP . 16441 1 185 1231 THR . 16441 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 16441 1 . PHE 2 2 16441 1 . THR 3 3 16441 1 . MET 4 4 16441 1 . HIS 5 5 16441 1 . GLY 6 6 16441 1 . THR 7 7 16441 1 . PRO 8 8 16441 1 . VAL 9 9 16441 1 . VAL 10 10 16441 1 . ASN 11 11 16441 1 . GLN 12 12 16441 1 . VAL 13 13 16441 1 . LYS 14 14 16441 1 . VAL 15 15 16441 1 . LEU 16 16 16441 1 . THR 17 17 16441 1 . GLU 18 18 16441 1 . SER 19 19 16441 1 . ASN 20 20 16441 1 . ARG 21 21 16441 1 . ILE 22 22 16441 1 . SER 23 23 16441 1 . HIS 24 24 16441 1 . HIS 25 25 16441 1 . LYS 26 26 16441 1 . ILE 27 27 16441 1 . LEU 28 28 16441 1 . ALA 29 29 16441 1 . ILE 30 30 16441 1 . VAL 31 31 16441 1 . GLY 32 32 16441 1 . THR 33 33 16441 1 . ALA 34 34 16441 1 . GLU 35 35 16441 1 . SER 36 36 16441 1 . ASN 37 37 16441 1 . SER 38 38 16441 1 . GLU 39 39 16441 1 . HIS 40 40 16441 1 . PRO 41 41 16441 1 . LEU 42 42 16441 1 . GLY 43 43 16441 1 . THR 44 44 16441 1 . ALA 45 45 16441 1 . ILE 46 46 16441 1 . THR 47 47 16441 1 . LYS 48 48 16441 1 . TYR 49 49 16441 1 . CYS 50 50 16441 1 . LYS 51 51 16441 1 . GLN 52 52 16441 1 . GLU 53 53 16441 1 . LEU 54 54 16441 1 . ASP 55 55 16441 1 . THR 56 56 16441 1 . GLU 57 57 16441 1 . THR 58 58 16441 1 . LEU 59 59 16441 1 . GLY 60 60 16441 1 . THR 61 61 16441 1 . CYS 62 62 16441 1 . ILE 63 63 16441 1 . ASP 64 64 16441 1 . PHE 65 65 16441 1 . GLN 66 66 16441 1 . VAL 67 67 16441 1 . VAL 68 68 16441 1 . PRO 69 69 16441 1 . GLY 70 70 16441 1 . CYS 71 71 16441 1 . GLY 72 72 16441 1 . ILE 73 73 16441 1 . SER 74 74 16441 1 . CYS 75 75 16441 1 . LYS 76 76 16441 1 . VAL 77 77 16441 1 . THR 78 78 16441 1 . ASN 79 79 16441 1 . ILE 80 80 16441 1 . GLU 81 81 16441 1 . GLY 82 82 16441 1 . LEU 83 83 16441 1 . LEU 84 84 16441 1 . HIS 85 85 16441 1 . LYS 86 86 16441 1 . ASN 87 87 16441 1 . ASN 88 88 16441 1 . TRP 89 89 16441 1 . ASN 90 90 16441 1 . ILE 91 91 16441 1 . GLU 92 92 16441 1 . ASP 93 93 16441 1 . ASN 94 94 16441 1 . ASN 95 95 16441 1 . ILE 96 96 16441 1 . LYS 97 97 16441 1 . ASN 98 98 16441 1 . ALA 99 99 16441 1 . SER 100 100 16441 1 . LEU 101 101 16441 1 . VAL 102 102 16441 1 . GLN 103 103 16441 1 . ILE 104 104 16441 1 . ASP 105 105 16441 1 . ALA 106 106 16441 1 . SER 107 107 16441 1 . ASN 108 108 16441 1 . GLU 109 109 16441 1 . GLN 110 110 16441 1 . SER 111 111 16441 1 . SER 112 112 16441 1 . THR 113 113 16441 1 . SER 114 114 16441 1 . SER 115 115 16441 1 . SER 116 116 16441 1 . MET 117 117 16441 1 . ILE 118 118 16441 1 . ILE 119 119 16441 1 . ASP 120 120 16441 1 . ALA 121 121 16441 1 . GLN 122 122 16441 1 . ILE 123 123 16441 1 . SER 124 124 16441 1 . ASN 125 125 16441 1 . ALA 126 126 16441 1 . LEU 127 127 16441 1 . ASN 128 128 16441 1 . ALA 129 129 16441 1 . GLN 130 130 16441 1 . GLN 131 131 16441 1 . TYR 132 132 16441 1 . LYS 133 133 16441 1 . VAL 134 134 16441 1 . LEU 135 135 16441 1 . ILE 136 136 16441 1 . GLY 137 137 16441 1 . ASN 138 138 16441 1 . ARG 139 139 16441 1 . GLU 140 140 16441 1 . TRP 141 141 16441 1 . MET 142 142 16441 1 . ILE 143 143 16441 1 . ARG 144 144 16441 1 . ASN 145 145 16441 1 . GLY 146 146 16441 1 . LEU 147 147 16441 1 . VAL 148 148 16441 1 . ILE 149 149 16441 1 . ASN 150 150 16441 1 . ASN 151 151 16441 1 . ASP 152 152 16441 1 . VAL 153 153 16441 1 . ASN 154 154 16441 1 . ASP 155 155 16441 1 . PHE 156 156 16441 1 . MET 157 157 16441 1 . THR 158 158 16441 1 . GLU 159 159 16441 1 . HIS 160 160 16441 1 . GLU 161 161 16441 1 . ARG 162 162 16441 1 . LYS 163 163 16441 1 . GLY 164 164 16441 1 . ARG 165 165 16441 1 . THR 166 166 16441 1 . ALA 167 167 16441 1 . VAL 168 168 16441 1 . LEU 169 169 16441 1 . VAL 170 170 16441 1 . ALA 171 171 16441 1 . VAL 172 172 16441 1 . ASP 173 173 16441 1 . ASP 174 174 16441 1 . GLU 175 175 16441 1 . LEU 176 176 16441 1 . CYS 177 177 16441 1 . GLY 178 178 16441 1 . LEU 179 179 16441 1 . ILE 180 180 16441 1 . ALA 181 181 16441 1 . ILE 182 182 16441 1 . ALA 183 183 16441 1 . ASP 184 184 16441 1 . THR 185 185 16441 1 stop_ save_ save_ATP _Entity.Sf_category entity _Entity.Sf_framecode ATP _Entity.Entry_ID 16441 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ATP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ATP _Entity.Nonpolymer_comp_label $chem_comp_ATP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ATP . 16441 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16441 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16441 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16441 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli 'BL21(DE3) Rosetta2' . . . . . . . . . . . . . . . pETG-30A . . . 'For the preparation of the ATP-bound form of the protein, 3 equivalents of ATP disodium salt (SIGMA) were added to the N domain in the ATP-free form' . . 16441 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ATP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ATP _Chem_comp.Entry_ID 16441 _Chem_comp.ID ATP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-TRIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ATP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ATP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O13 P3' _Chem_comp.Formula_weight 507.181 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0U _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Nov 10 14:30:44 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 16441 ATP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16441 ATP InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 16441 ATP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 16441 ATP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 16441 ATP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 16441 ATP ZKHQWZAMYRWXGA-KQYNXXCUSA-N InChIKey InChI 1.03 16441 ATP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16441 ATP 'adenosine 5'-(tetrahydrogen triphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 16441 ATP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG . PG . . P . . N 0 . . . . no no . . . . 46.107 . 45.182 . 56.950 . 1.200 -0.226 -6.850 1 . 16441 ATP O1G . O1G . . O . . N 0 . . . . no no . . . . 45.779 . 46.330 . 56.052 . 1.740 1.140 -6.672 2 . 16441 ATP O2G . O2G . . O . . N 0 . . . . no no . . . . 47.382 . 44.497 . 56.626 . 2.123 -1.036 -7.891 3 . 16441 ATP O3G . O3G . . O . . N 0 . . . . no no . . . . 45.972 . 45.530 . 58.375 . -0.302 -0.139 -7.421 4 . 16441 ATP PB . PB . . P . . R 0 . . . . no no . . . . 43.911 . 43.740 . 55.655 . 0.255 -0.130 -4.446 5 . 16441 ATP O1B . O1B . . O . . N 0 . . . . no no . . . . 42.975 . 42.722 . 55.986 . 0.810 1.234 -4.304 6 . 16441 ATP O2B . O2B . . O . . N 0 . . . . no no . . . . 43.603 . 44.767 . 54.678 . -1.231 -0.044 -5.057 7 . 16441 ATP O3B . O3B . . O . . N 0 . . . . no no . . . . 45.041 . 44.015 . 56.738 . 1.192 -0.990 -5.433 8 . 16441 ATP PA . PA . . P . . R 0 . . . . no no . . . . 45.228 . 42.669 . 53.257 . -0.745 0.068 -2.071 9 . 16441 ATP O1A . O1A . . O . . N 0 . . . . no no . . . . 46.380 . 43.396 . 52.788 . -2.097 0.143 -2.669 10 . 16441 ATP O2A . O2A . . O . . N 0 . . . . no no . . . . 44.183 . 42.190 . 52.351 . -0.125 1.549 -1.957 11 . 16441 ATP O3A . O3A . . O . . N 0 . . . . no no . . . . 44.917 . 42.716 . 54.789 . 0.203 -0.840 -3.002 12 . 16441 ATP O5' . O5' . . O . . N 0 . . . . no no . . . . 46.172 . 41.568 . 53.302 . -0.844 -0.587 -0.604 13 . 16441 ATP C5' . C5' . . C . . N 0 . . . . no no . . . . 46.609 . 40.422 . 53.542 . -1.694 0.260 0.170 14 . 16441 ATP C4' . C4' . . C . . R 0 . . . . no no . . . . 46.520 . 38.989 . 53.364 . -1.831 -0.309 1.584 15 . 16441 ATP O4' . O4' . . O . . N 0 . . . . no no . . . . 46.785 . 38.908 . 51.948 . -0.542 -0.355 2.234 16 . 16441 ATP C3' . C3' . . C . . S 0 . . . . no no . . . . 47.808 . 38.874 . 54.112 . -2.683 0.630 2.465 17 . 16441 ATP O3' . O3' . . O . . N 0 . . . . no no . . . . 47.713 . 38.357 . 55.423 . -4.033 0.165 2.534 18 . 16441 ATP C2' . C2' . . C . . R 0 . . . . no no . . . . 48.719 . 38.116 . 53.139 . -2.011 0.555 3.856 19 . 16441 ATP O2' . O2' . . O . . N 0 . . . . no no . . . . 48.632 . 36.737 . 53.425 . -2.926 0.043 4.827 20 . 16441 ATP C1' . C1' . . C . . R 0 . . . . no no . . . . 48.133 . 38.409 . 51.721 . -0.830 -0.418 3.647 21 . 16441 ATP N9 . N9 . . N . . N 0 . . . . yes no . . . . 48.846 . 39.464 . 50.986 . 0.332 0.015 4.425 22 . 16441 ATP C8 . C8 . . C . . N 0 . . . . yes no . . . . 48.616 . 40.842 . 50.945 . 1.302 0.879 4.012 23 . 16441 ATP N7 . N7 . . N . . N 0 . . . . yes no . . . . 49.425 . 41.489 . 50.165 . 2.184 1.042 4.955 24 . 16441 ATP C5 . C5 . . C . . N 0 . . . . yes no . . . . 50.232 . 40.470 . 49.664 . 1.833 0.300 6.033 25 . 16441 ATP C6 . C6 . . C . . N 0 . . . . yes no . . . . 51.308 . 40.466 . 48.731 . 2.391 0.077 7.303 26 . 16441 ATP N6 . N6 . . N . . N 0 . . . . no no . . . . 51.721 . 41.568 . 48.129 . 3.564 0.706 7.681 27 . 16441 ATP N1 . N1 . . N . . N 0 . . . . yes no . . . . 51.912 . 39.274 . 48.447 . 1.763 -0.747 8.135 28 . 16441 ATP C2 . C2 . . C . . N 0 . . . . yes no . . . . 51.493 . 38.151 . 49.029 . 0.644 -1.352 7.783 29 . 16441 ATP N3 . N3 . . N . . N 0 . . . . yes no . . . . 50.491 . 38.016 . 49.900 . 0.088 -1.178 6.602 30 . 16441 ATP C4 . C4 . . C . . N 0 . . . . yes no . . . . 49.892 . 39.253 . 50.171 . 0.644 -0.371 5.704 31 . 16441 ATP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 47.590 . 43.767 . 57.197 . 2.100 -0.546 -8.725 32 . 16441 ATP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 46.180 . 44.800 . 58.946 . -0.616 -1.048 -7.522 33 . 16441 ATP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 44.228 . 45.447 . 54.456 . -1.554 -0.952 -5.132 34 . 16441 ATP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 43.423 . 41.710 . 52.660 . 0.752 1.455 -1.563 35 . 16441 ATP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 47.666 . 40.570 . 53.221 . -2.678 0.312 -0.296 36 . 16441 ATP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 46.587 . 40.459 . 54.656 . -1.263 1.259 0.221 37 . 16441 ATP H4' . H4' . . H . . N 0 . . . . no no . . . . 45.665 . 38.327 . 53.639 . -2.275 -1.304 1.550 38 . 16441 ATP H3' . H3' . . H . . N 0 . . . . no no . . . . 48.234 . 39.870 . 54.375 . -2.651 1.649 2.078 39 . 16441 ATP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 48.532 . 38.283 . 55.898 . -4.515 0.788 3.094 40 . 16441 ATP H2' . H2' . . H . . N 0 . . . . no no . . . . 49.788 . 38.422 . 53.212 . -1.646 1.537 4.157 41 . 16441 ATP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 49.196 . 36.267 . 52.822 . -3.667 0.662 4.867 42 . 16441 ATP H1' . H1' . . H . . N 0 . . . . no no . . . . 48.203 . 37.474 . 51.117 . -1.119 -1.430 3.931 43 . 16441 ATP H8 . H8 . . H . . N 0 . . . . no no . . . . 47.836 . 41.390 . 51.499 . 1.334 1.357 3.044 44 . 16441 ATP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 52.491 . 41.565 . 47.460 . 3.938 0.548 8.562 45 . 16441 ATP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 51.940 . 42.252 . 48.852 . 4.015 1.303 7.064 46 . 16441 ATP H2 . H2 . . H . . N 0 . . . . no no . . . . 52.036 . 37.229 . 48.759 . 0.166 -2.014 8.490 47 . 16441 ATP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 16441 ATP 2 . SING PG O2G no N 2 . 16441 ATP 3 . SING PG O3G no N 3 . 16441 ATP 4 . SING PG O3B no N 4 . 16441 ATP 5 . SING O2G HOG2 no N 5 . 16441 ATP 6 . SING O3G HOG3 no N 6 . 16441 ATP 7 . DOUB PB O1B no N 7 . 16441 ATP 8 . SING PB O2B no N 8 . 16441 ATP 9 . SING PB O3B no N 9 . 16441 ATP 10 . SING PB O3A no N 10 . 16441 ATP 11 . SING O2B HOB2 no N 11 . 16441 ATP 12 . DOUB PA O1A no N 12 . 16441 ATP 13 . SING PA O2A no N 13 . 16441 ATP 14 . SING PA O3A no N 14 . 16441 ATP 15 . SING PA O5' no N 15 . 16441 ATP 16 . SING O2A HOA2 no N 16 . 16441 ATP 17 . SING O5' C5' no N 17 . 16441 ATP 18 . SING C5' C4' no N 18 . 16441 ATP 19 . SING C5' H5'1 no N 19 . 16441 ATP 20 . SING C5' H5'2 no N 20 . 16441 ATP 21 . SING C4' O4' no N 21 . 16441 ATP 22 . SING C4' C3' no N 22 . 16441 ATP 23 . SING C4' H4' no N 23 . 16441 ATP 24 . SING O4' C1' no N 24 . 16441 ATP 25 . SING C3' O3' no N 25 . 16441 ATP 26 . SING C3' C2' no N 26 . 16441 ATP 27 . SING C3' H3' no N 27 . 16441 ATP 28 . SING O3' HO3' no N 28 . 16441 ATP 29 . SING C2' O2' no N 29 . 16441 ATP 30 . SING C2' C1' no N 30 . 16441 ATP 31 . SING C2' H2' no N 31 . 16441 ATP 32 . SING O2' HO2' no N 32 . 16441 ATP 33 . SING C1' N9 no N 33 . 16441 ATP 34 . SING C1' H1' no N 34 . 16441 ATP 35 . SING N9 C8 yes N 35 . 16441 ATP 36 . SING N9 C4 yes N 36 . 16441 ATP 37 . DOUB C8 N7 yes N 37 . 16441 ATP 38 . SING C8 H8 no N 38 . 16441 ATP 39 . SING N7 C5 yes N 39 . 16441 ATP 40 . SING C5 C6 yes N 40 . 16441 ATP 41 . DOUB C5 C4 yes N 41 . 16441 ATP 42 . SING C6 N6 no N 42 . 16441 ATP 43 . DOUB C6 N1 yes N 43 . 16441 ATP 44 . SING N6 HN61 no N 44 . 16441 ATP 45 . SING N6 HN62 no N 45 . 16441 ATP 46 . SING N1 C2 yes N 46 . 16441 ATP 47 . DOUB C2 N3 yes N 47 . 16441 ATP 48 . SING C2 H2 no N 48 . 16441 ATP 49 . SING N3 C4 yes N 49 . 16441 ATP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16441 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N-MNK '[U-99% 15N]' . . 1 $entity . . . 1.2 1.5 mM . . . . 16441 1 2 ATP 'natural abundance' . . 2 $ATP . . . 1.2 1.5 mM . . . . 16441 1 3 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 16441 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16441 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16441 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16441 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16441 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N-MNK '[U-95% 13C; U-95% 15N]' . . 1 $entity . . . 0.8 1.0 mM . . . . 16441 2 2 ATP 'natural abundance' . . 2 $ATP . . . 0.8 1.0 mM . . . . 16441 2 3 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 16441 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16441 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16441 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16441 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16441 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 16441 1 pH 7 . pH 16441 1 pressure 1 . atm 16441 1 temperature 298 . K 16441 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16441 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16441 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16441 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16441 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16441 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16441 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16441 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16441 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16441 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16441 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16441 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16441 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16441 _Software.ID 5 _Software.Name AMBER _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16441 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16441 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16441 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16441 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16441 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16441 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16441 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16441 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16441 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16441 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16441 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16441 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16441 1 2 spectrometer_2 Bruker Avance . 700 . . . 16441 1 3 spectrometer_3 Bruker Avance . 900 . . . 16441 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16441 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16441 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16441 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane 'methylene carbons' . . . . ppm 69.4 external direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16441 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16441 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16441 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16441 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16441 1 2 '2D 1H-13C HSQC' . . . 16441 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 HIS H H 1 9.012 0.030 . 1 . . . . 1051 HIS H . 16441 1 2 . 1 1 5 5 HIS HA H 1 4.667 0.030 . 1 . . . . 1051 HIS HA . 16441 1 3 . 1 1 5 5 HIS HB2 H 1 3.235 0.030 . 2 . . . . 1051 HIS HB2 . 16441 1 4 . 1 1 5 5 HIS HB3 H 1 3.079 0.030 . 2 . . . . 1051 HIS HB3 . 16441 1 5 . 1 1 5 5 HIS HD2 H 1 7.120 0.030 . 1 . . . . 1051 HIS HD2 . 16441 1 6 . 1 1 5 5 HIS HE1 H 1 7.202 0.030 . 1 . . . . 1051 HIS HE1 . 16441 1 7 . 1 1 5 5 HIS C C 13 175.261 0.400 . 1 . . . . 1051 HIS C . 16441 1 8 . 1 1 5 5 HIS CA C 13 56.458 0.400 . 1 . . . . 1051 HIS CA . 16441 1 9 . 1 1 5 5 HIS CB C 13 30.308 0.400 . 1 . . . . 1051 HIS CB . 16441 1 10 . 1 1 5 5 HIS N N 15 120.952 0.400 . 1 . . . . 1051 HIS N . 16441 1 11 . 1 1 6 6 GLY H H 1 8.860 0.030 . 1 . . . . 1052 GLY H . 16441 1 12 . 1 1 6 6 GLY HA2 H 1 4.186 0.030 . 2 . . . . 1052 GLY HA2 . 16441 1 13 . 1 1 6 6 GLY HA3 H 1 3.906 0.030 . 2 . . . . 1052 GLY HA3 . 16441 1 14 . 1 1 6 6 GLY C C 13 173.500 0.400 . 1 . . . . 1052 GLY C . 16441 1 15 . 1 1 6 6 GLY CA C 13 45.217 0.400 . 1 . . . . 1052 GLY CA . 16441 1 16 . 1 1 6 6 GLY N N 15 112.109 0.400 . 1 . . . . 1052 GLY N . 16441 1 17 . 1 1 7 7 THR H H 1 8.599 0.030 . 1 . . . . 1053 THR H . 16441 1 18 . 1 1 7 7 THR HA H 1 4.610 0.030 . 1 . . . . 1053 THR HA . 16441 1 19 . 1 1 7 7 THR HB H 1 3.990 0.030 . 1 . . . . 1053 THR HB . 16441 1 20 . 1 1 7 7 THR HG21 H 1 1.163 0.030 . 1 . . . . 1053 THR HG2 . 16441 1 21 . 1 1 7 7 THR HG22 H 1 1.163 0.030 . 1 . . . . 1053 THR HG2 . 16441 1 22 . 1 1 7 7 THR HG23 H 1 1.163 0.030 . 1 . . . . 1053 THR HG2 . 16441 1 23 . 1 1 7 7 THR CA C 13 60.342 0.400 . 1 . . . . 1053 THR CA . 16441 1 24 . 1 1 7 7 THR CB C 13 70.727 0.400 . 1 . . . . 1053 THR CB . 16441 1 25 . 1 1 7 7 THR CG2 C 13 21.570 0.400 . 1 . . . . 1053 THR CG2 . 16441 1 26 . 1 1 7 7 THR N N 15 119.536 0.400 . 1 . . . . 1053 THR N . 16441 1 27 . 1 1 8 8 PRO HA H 1 4.442 0.030 . 1 . . . . 1054 PRO HA . 16441 1 28 . 1 1 8 8 PRO HB2 H 1 2.002 0.030 . 2 . . . . 1054 PRO HB2 . 16441 1 29 . 1 1 8 8 PRO HB3 H 1 1.458 0.030 . 2 . . . . 1054 PRO HB3 . 16441 1 30 . 1 1 8 8 PRO HD2 H 1 3.874 0.030 . 2 . . . . 1054 PRO HD2 . 16441 1 31 . 1 1 8 8 PRO HD3 H 1 3.743 0.030 . 2 . . . . 1054 PRO HD3 . 16441 1 32 . 1 1 8 8 PRO HG2 H 1 1.818 0.030 . 2 . . . . 1054 PRO HG2 . 16441 1 33 . 1 1 8 8 PRO HG3 H 1 1.818 0.030 . 2 . . . . 1054 PRO HG3 . 16441 1 34 . 1 1 8 8 PRO CA C 13 63.323 0.400 . 1 . . . . 1054 PRO CA . 16441 1 35 . 1 1 8 8 PRO CB C 13 32.564 0.400 . 1 . . . . 1054 PRO CB . 16441 1 36 . 1 1 8 8 PRO CD C 13 51.259 0.400 . 1 . . . . 1054 PRO CD . 16441 1 37 . 1 1 8 8 PRO CG C 13 27.606 0.400 . 1 . . . . 1054 PRO CG . 16441 1 38 . 1 1 9 9 VAL H H 1 8.705 0.030 . 1 . . . . 1055 VAL H . 16441 1 39 . 1 1 9 9 VAL HA H 1 4.412 0.030 . 1 . . . . 1055 VAL HA . 16441 1 40 . 1 1 9 9 VAL HB H 1 1.897 0.030 . 1 . . . . 1055 VAL HB . 16441 1 41 . 1 1 9 9 VAL HG11 H 1 0.869 0.030 . 2 . . . . 1055 VAL HG1 . 16441 1 42 . 1 1 9 9 VAL HG12 H 1 0.869 0.030 . 2 . . . . 1055 VAL HG1 . 16441 1 43 . 1 1 9 9 VAL HG13 H 1 0.869 0.030 . 2 . . . . 1055 VAL HG1 . 16441 1 44 . 1 1 9 9 VAL HG21 H 1 0.869 0.030 . 2 . . . . 1055 VAL HG2 . 16441 1 45 . 1 1 9 9 VAL HG22 H 1 0.869 0.030 . 2 . . . . 1055 VAL HG2 . 16441 1 46 . 1 1 9 9 VAL HG23 H 1 0.869 0.030 . 2 . . . . 1055 VAL HG2 . 16441 1 47 . 1 1 9 9 VAL C C 13 175.334 0.400 . 1 . . . . 1055 VAL C . 16441 1 48 . 1 1 9 9 VAL CA C 13 60.426 0.400 . 1 . . . . 1055 VAL CA . 16441 1 49 . 1 1 9 9 VAL CB C 13 36.050 0.400 . 1 . . . . 1055 VAL CB . 16441 1 50 . 1 1 9 9 VAL CG1 C 13 21.325 0.400 . 1 . . . . 1055 VAL CG1 . 16441 1 51 . 1 1 9 9 VAL N N 15 118.497 0.400 . 1 . . . . 1055 VAL N . 16441 1 52 . 1 1 10 10 VAL H H 1 8.599 0.030 . 1 . . . . 1056 VAL H . 16441 1 53 . 1 1 10 10 VAL HA H 1 3.557 0.030 . 1 . . . . 1056 VAL HA . 16441 1 54 . 1 1 10 10 VAL HB H 1 1.400 0.030 . 1 . . . . 1056 VAL HB . 16441 1 55 . 1 1 10 10 VAL HG11 H 1 0.508 0.030 . 2 . . . . 1056 VAL HG1 . 16441 1 56 . 1 1 10 10 VAL HG12 H 1 0.508 0.030 . 2 . . . . 1056 VAL HG1 . 16441 1 57 . 1 1 10 10 VAL HG13 H 1 0.508 0.030 . 2 . . . . 1056 VAL HG1 . 16441 1 58 . 1 1 10 10 VAL HG21 H 1 -0.129 0.030 . 2 . . . . 1056 VAL HG2 . 16441 1 59 . 1 1 10 10 VAL HG22 H 1 -0.129 0.030 . 2 . . . . 1056 VAL HG2 . 16441 1 60 . 1 1 10 10 VAL HG23 H 1 -0.129 0.030 . 2 . . . . 1056 VAL HG2 . 16441 1 61 . 1 1 10 10 VAL C C 13 174.263 0.400 . 1 . . . . 1056 VAL C . 16441 1 62 . 1 1 10 10 VAL CA C 13 64.864 0.400 . 1 . . . . 1056 VAL CA . 16441 1 63 . 1 1 10 10 VAL CB C 13 32.038 0.400 . 1 . . . . 1056 VAL CB . 16441 1 64 . 1 1 10 10 VAL CG1 C 13 23.400 0.400 . 1 . . . . 1056 VAL CG1 . 16441 1 65 . 1 1 10 10 VAL CG2 C 13 20.902 0.400 . 1 . . . . 1056 VAL CG2 . 16441 1 66 . 1 1 10 10 VAL N N 15 125.676 0.400 . 1 . . . . 1056 VAL N . 16441 1 67 . 1 1 11 11 ASN H H 1 9.114 0.030 . 1 . . . . 1057 ASN H . 16441 1 68 . 1 1 11 11 ASN HA H 1 4.616 0.030 . 1 . . . . 1057 ASN HA . 16441 1 69 . 1 1 11 11 ASN HB2 H 1 2.534 0.030 . 2 . . . . 1057 ASN HB2 . 16441 1 70 . 1 1 11 11 ASN HB3 H 1 2.067 0.030 . 2 . . . . 1057 ASN HB3 . 16441 1 71 . 1 1 11 11 ASN HD21 H 1 7.689 0.030 . 2 . . . . 1057 ASN HD21 . 16441 1 72 . 1 1 11 11 ASN HD22 H 1 6.640 0.030 . 2 . . . . 1057 ASN HD22 . 16441 1 73 . 1 1 11 11 ASN C C 13 174.329 0.400 . 1 . . . . 1057 ASN C . 16441 1 74 . 1 1 11 11 ASN CA C 13 54.295 0.400 . 1 . . . . 1057 ASN CA . 16441 1 75 . 1 1 11 11 ASN CB C 13 42.986 0.400 . 1 . . . . 1057 ASN CB . 16441 1 76 . 1 1 11 11 ASN N N 15 127.242 0.400 . 1 . . . . 1057 ASN N . 16441 1 77 . 1 1 11 11 ASN ND2 N 15 109.438 0.400 . 1 . . . . 1057 ASN ND2 . 16441 1 78 . 1 1 12 12 GLN H H 1 7.317 0.030 . 1 . . . . 1058 GLN H . 16441 1 79 . 1 1 12 12 GLN HA H 1 4.474 0.030 . 1 . . . . 1058 GLN HA . 16441 1 80 . 1 1 12 12 GLN HB2 H 1 2.073 0.030 . 2 . . . . 1058 GLN HB2 . 16441 1 81 . 1 1 12 12 GLN HB3 H 1 1.838 0.030 . 2 . . . . 1058 GLN HB3 . 16441 1 82 . 1 1 12 12 GLN HG2 H 1 2.285 0.030 . 2 . . . . 1058 GLN HG2 . 16441 1 83 . 1 1 12 12 GLN HG3 H 1 2.236 0.030 . 2 . . . . 1058 GLN HG3 . 16441 1 84 . 1 1 12 12 GLN C C 13 173.118 0.400 . 1 . . . . 1058 GLN C . 16441 1 85 . 1 1 12 12 GLN CA C 13 55.773 0.400 . 1 . . . . 1058 GLN CA . 16441 1 86 . 1 1 12 12 GLN CB C 13 32.517 0.400 . 1 . . . . 1058 GLN CB . 16441 1 87 . 1 1 12 12 GLN CG C 13 37.105 0.400 . 1 . . . . 1058 GLN CG . 16441 1 88 . 1 1 12 12 GLN N N 15 115.203 0.400 . 1 . . . . 1058 GLN N . 16441 1 89 . 1 1 13 13 VAL H H 1 8.747 0.030 . 1 . . . . 1059 VAL H . 16441 1 90 . 1 1 13 13 VAL HA H 1 4.635 0.030 . 1 . . . . 1059 VAL HA . 16441 1 91 . 1 1 13 13 VAL HB H 1 2.041 0.030 . 1 . . . . 1059 VAL HB . 16441 1 92 . 1 1 13 13 VAL HG11 H 1 0.766 0.030 . 2 . . . . 1059 VAL HG1 . 16441 1 93 . 1 1 13 13 VAL HG12 H 1 0.766 0.030 . 2 . . . . 1059 VAL HG1 . 16441 1 94 . 1 1 13 13 VAL HG13 H 1 0.766 0.030 . 2 . . . . 1059 VAL HG1 . 16441 1 95 . 1 1 13 13 VAL HG21 H 1 0.652 0.030 . 2 . . . . 1059 VAL HG2 . 16441 1 96 . 1 1 13 13 VAL HG22 H 1 0.652 0.030 . 2 . . . . 1059 VAL HG2 . 16441 1 97 . 1 1 13 13 VAL HG23 H 1 0.652 0.030 . 2 . . . . 1059 VAL HG2 . 16441 1 98 . 1 1 13 13 VAL C C 13 174.062 0.400 . 1 . . . . 1059 VAL C . 16441 1 99 . 1 1 13 13 VAL CA C 13 62.290 0.400 . 1 . . . . 1059 VAL CA . 16441 1 100 . 1 1 13 13 VAL CB C 13 33.570 0.400 . 1 . . . . 1059 VAL CB . 16441 1 101 . 1 1 13 13 VAL CG1 C 13 22.206 0.400 . 1 . . . . 1059 VAL CG1 . 16441 1 102 . 1 1 13 13 VAL CG2 C 13 20.121 0.400 . 1 . . . . 1059 VAL CG2 . 16441 1 103 . 1 1 13 13 VAL N N 15 124.717 0.400 . 1 . . . . 1059 VAL N . 16441 1 104 . 1 1 14 14 LYS H H 1 9.314 0.030 . 1 . . . . 1060 LYS H . 16441 1 105 . 1 1 14 14 LYS HA H 1 4.747 0.030 . 1 . . . . 1060 LYS HA . 16441 1 106 . 1 1 14 14 LYS HB2 H 1 1.682 0.030 . 2 . . . . 1060 LYS HB2 . 16441 1 107 . 1 1 14 14 LYS HB3 H 1 1.513 0.030 . 2 . . . . 1060 LYS HB3 . 16441 1 108 . 1 1 14 14 LYS HD2 H 1 1.227 0.030 . 2 . . . . 1060 LYS HD2 . 16441 1 109 . 1 1 14 14 LYS HD3 H 1 1.474 0.030 . 2 . . . . 1060 LYS HD3 . 16441 1 110 . 1 1 14 14 LYS HE2 H 1 2.531 0.030 . 2 . . . . 1060 LYS HE2 . 16441 1 111 . 1 1 14 14 LYS HE3 H 1 2.390 0.030 . 2 . . . . 1060 LYS HE3 . 16441 1 112 . 1 1 14 14 LYS HG2 H 1 1.221 0.030 . 2 . . . . 1060 LYS HG2 . 16441 1 113 . 1 1 14 14 LYS HG3 H 1 1.019 0.030 . 2 . . . . 1060 LYS HG3 . 16441 1 114 . 1 1 14 14 LYS C C 13 174.832 0.400 . 1 . . . . 1060 LYS C . 16441 1 115 . 1 1 14 14 LYS CA C 13 54.402 0.400 . 1 . . . . 1060 LYS CA . 16441 1 116 . 1 1 14 14 LYS CB C 13 36.504 0.400 . 1 . . . . 1060 LYS CB . 16441 1 117 . 1 1 14 14 LYS CD C 13 29.781 0.400 . 1 . . . . 1060 LYS CD . 16441 1 118 . 1 1 14 14 LYS CE C 13 41.979 0.400 . 1 . . . . 1060 LYS CE . 16441 1 119 . 1 1 14 14 LYS CG C 13 25.052 0.400 . 1 . . . . 1060 LYS CG . 16441 1 120 . 1 1 14 14 LYS N N 15 128.889 0.400 . 1 . . . . 1060 LYS N . 16441 1 121 . 1 1 15 15 VAL H H 1 8.937 0.030 . 1 . . . . 1061 VAL H . 16441 1 122 . 1 1 15 15 VAL HA H 1 4.401 0.030 . 1 . . . . 1061 VAL HA . 16441 1 123 . 1 1 15 15 VAL HB H 1 2.098 0.030 . 1 . . . . 1061 VAL HB . 16441 1 124 . 1 1 15 15 VAL HG11 H 1 1.106 0.030 . 2 . . . . 1061 VAL HG1 . 16441 1 125 . 1 1 15 15 VAL HG12 H 1 1.106 0.030 . 2 . . . . 1061 VAL HG1 . 16441 1 126 . 1 1 15 15 VAL HG13 H 1 1.106 0.030 . 2 . . . . 1061 VAL HG1 . 16441 1 127 . 1 1 15 15 VAL HG21 H 1 0.939 0.030 . 2 . . . . 1061 VAL HG2 . 16441 1 128 . 1 1 15 15 VAL HG22 H 1 0.939 0.030 . 2 . . . . 1061 VAL HG2 . 16441 1 129 . 1 1 15 15 VAL HG23 H 1 0.939 0.030 . 2 . . . . 1061 VAL HG2 . 16441 1 130 . 1 1 15 15 VAL C C 13 176.687 0.400 . 1 . . . . 1061 VAL C . 16441 1 131 . 1 1 15 15 VAL CA C 13 62.900 0.400 . 1 . . . . 1061 VAL CA . 16441 1 132 . 1 1 15 15 VAL CB C 13 31.615 0.400 . 1 . . . . 1061 VAL CB . 16441 1 133 . 1 1 15 15 VAL CG1 C 13 22.018 0.400 . 1 . . . . 1061 VAL CG1 . 16441 1 134 . 1 1 15 15 VAL CG2 C 13 21.815 0.400 . 1 . . . . 1061 VAL CG2 . 16441 1 135 . 1 1 15 15 VAL N N 15 127.317 0.400 . 1 . . . . 1061 VAL N . 16441 1 136 . 1 1 16 16 LEU H H 1 8.190 0.030 . 1 . . . . 1062 LEU H . 16441 1 137 . 1 1 16 16 LEU HA H 1 4.434 0.030 . 1 . . . . 1062 LEU HA . 16441 1 138 . 1 1 16 16 LEU HB2 H 1 1.688 0.030 . 2 . . . . 1062 LEU HB2 . 16441 1 139 . 1 1 16 16 LEU HB3 H 1 1.358 0.030 . 2 . . . . 1062 LEU HB3 . 16441 1 140 . 1 1 16 16 LEU HD21 H 1 0.774 0.030 . 2 . . . . 1062 LEU HD2 . 16441 1 141 . 1 1 16 16 LEU HD22 H 1 0.774 0.030 . 2 . . . . 1062 LEU HD2 . 16441 1 142 . 1 1 16 16 LEU HD23 H 1 0.774 0.030 . 2 . . . . 1062 LEU HD2 . 16441 1 143 . 1 1 16 16 LEU HG H 1 0.794 0.030 . 1 . . . . 1062 LEU HG . 16441 1 144 . 1 1 16 16 LEU C C 13 176.708 0.400 . 1 . . . . 1062 LEU C . 16441 1 145 . 1 1 16 16 LEU CA C 13 55.786 0.400 . 1 . . . . 1062 LEU CA . 16441 1 146 . 1 1 16 16 LEU CB C 13 43.012 0.400 . 1 . . . . 1062 LEU CB . 16441 1 147 . 1 1 16 16 LEU CD2 C 13 22.535 0.400 . 1 . . . . 1062 LEU CD2 . 16441 1 148 . 1 1 16 16 LEU CG C 13 26.268 0.400 . 1 . . . . 1062 LEU CG . 16441 1 149 . 1 1 16 16 LEU N N 15 125.831 0.400 . 1 . . . . 1062 LEU N . 16441 1 150 . 1 1 17 17 THR H H 1 7.295 0.030 . 1 . . . . 1063 THR H . 16441 1 151 . 1 1 17 17 THR HA H 1 4.565 0.030 . 1 . . . . 1063 THR HA . 16441 1 152 . 1 1 17 17 THR HB H 1 4.286 0.030 . 1 . . . . 1063 THR HB . 16441 1 153 . 1 1 17 17 THR HG21 H 1 1.209 0.030 . 1 . . . . 1063 THR HG2 . 16441 1 154 . 1 1 17 17 THR HG22 H 1 1.209 0.030 . 1 . . . . 1063 THR HG2 . 16441 1 155 . 1 1 17 17 THR HG23 H 1 1.209 0.030 . 1 . . . . 1063 THR HG2 . 16441 1 156 . 1 1 17 17 THR C C 13 173.834 0.400 . 1 . . . . 1063 THR C . 16441 1 157 . 1 1 17 17 THR CA C 13 60.446 0.400 . 1 . . . . 1063 THR CA . 16441 1 158 . 1 1 17 17 THR CB C 13 70.108 0.400 . 1 . . . . 1063 THR CB . 16441 1 159 . 1 1 17 17 THR CG2 C 13 21.951 0.400 . 1 . . . . 1063 THR CG2 . 16441 1 160 . 1 1 17 17 THR N N 15 111.012 0.400 . 1 . . . . 1063 THR N . 16441 1 161 . 1 1 18 18 GLU H H 1 8.673 0.030 . 1 . . . . 1064 GLU H . 16441 1 162 . 1 1 18 18 GLU HA H 1 4.371 0.030 . 1 . . . . 1064 GLU HA . 16441 1 163 . 1 1 18 18 GLU HB2 H 1 2.190 0.030 . 2 . . . . 1064 GLU HB2 . 16441 1 164 . 1 1 18 18 GLU HB3 H 1 1.902 0.030 . 2 . . . . 1064 GLU HB3 . 16441 1 165 . 1 1 18 18 GLU HG2 H 1 2.344 0.030 . 2 . . . . 1064 GLU HG2 . 16441 1 166 . 1 1 18 18 GLU HG3 H 1 2.301 0.030 . 2 . . . . 1064 GLU HG3 . 16441 1 167 . 1 1 18 18 GLU C C 13 177.087 0.400 . 1 . . . . 1064 GLU C . 16441 1 168 . 1 1 18 18 GLU CA C 13 56.554 0.400 . 1 . . . . 1064 GLU CA . 16441 1 169 . 1 1 18 18 GLU CB C 13 30.767 0.400 . 1 . . . . 1064 GLU CB . 16441 1 170 . 1 1 18 18 GLU CG C 13 36.827 0.400 . 1 . . . . 1064 GLU CG . 16441 1 171 . 1 1 18 18 GLU N N 15 123.002 0.400 . 1 . . . . 1064 GLU N . 16441 1 172 . 1 1 19 19 SER H H 1 8.448 0.030 . 1 . . . . 1065 SER H . 16441 1 173 . 1 1 19 19 SER HA H 1 4.386 0.030 . 1 . . . . 1065 SER HA . 16441 1 174 . 1 1 19 19 SER HB2 H 1 3.937 0.030 . 2 . . . . 1065 SER HB2 . 16441 1 175 . 1 1 19 19 SER HB3 H 1 3.890 0.030 . 2 . . . . 1065 SER HB3 . 16441 1 176 . 1 1 19 19 SER C C 13 174.831 0.400 . 1 . . . . 1065 SER C . 16441 1 177 . 1 1 19 19 SER CA C 13 59.468 0.400 . 1 . . . . 1065 SER CA . 16441 1 178 . 1 1 19 19 SER CB C 13 64.108 0.400 . 1 . . . . 1065 SER CB . 16441 1 179 . 1 1 19 19 SER N N 15 116.807 0.400 . 1 . . . . 1065 SER N . 16441 1 180 . 1 1 20 20 ASN H H 1 8.515 0.030 . 1 . . . . 1066 ASN H . 16441 1 181 . 1 1 20 20 ASN HA H 1 4.560 0.030 . 1 . . . . 1066 ASN HA . 16441 1 182 . 1 1 20 20 ASN HB2 H 1 2.910 0.030 . 2 . . . . 1066 ASN HB2 . 16441 1 183 . 1 1 20 20 ASN HB3 H 1 2.910 0.030 . 2 . . . . 1066 ASN HB3 . 16441 1 184 . 1 1 20 20 ASN HD21 H 1 7.741 0.030 . 2 . . . . 1066 ASN HD21 . 16441 1 185 . 1 1 20 20 ASN HD22 H 1 6.971 0.030 . 2 . . . . 1066 ASN HD22 . 16441 1 186 . 1 1 20 20 ASN C C 13 175.461 0.400 . 1 . . . . 1066 ASN C . 16441 1 187 . 1 1 20 20 ASN CA C 13 53.516 0.400 . 1 . . . . 1066 ASN CA . 16441 1 188 . 1 1 20 20 ASN CB C 13 37.555 0.400 . 1 . . . . 1066 ASN CB . 16441 1 189 . 1 1 20 20 ASN N N 15 119.041 0.400 . 1 . . . . 1066 ASN N . 16441 1 190 . 1 1 20 20 ASN ND2 N 15 113.954 0.400 . 1 . . . . 1066 ASN ND2 . 16441 1 191 . 1 1 21 21 ARG H H 1 8.098 0.030 . 1 . . . . 1067 ARG H . 16441 1 192 . 1 1 21 21 ARG HA H 1 4.221 0.030 . 1 . . . . 1067 ARG HA . 16441 1 193 . 1 1 21 21 ARG HB2 H 1 1.941 0.030 . 2 . . . . 1067 ARG HB2 . 16441 1 194 . 1 1 21 21 ARG HB3 H 1 1.846 0.030 . 2 . . . . 1067 ARG HB3 . 16441 1 195 . 1 1 21 21 ARG HD2 H 1 3.267 0.030 . 2 . . . . 1067 ARG HD2 . 16441 1 196 . 1 1 21 21 ARG HD3 H 1 3.267 0.030 . 2 . . . . 1067 ARG HD3 . 16441 1 197 . 1 1 21 21 ARG HG2 H 1 1.695 0.030 . 2 . . . . 1067 ARG HG2 . 16441 1 198 . 1 1 21 21 ARG HG3 H 1 1.622 0.030 . 2 . . . . 1067 ARG HG3 . 16441 1 199 . 1 1 21 21 ARG C C 13 176.141 0.400 . 1 . . . . 1067 ARG C . 16441 1 200 . 1 1 21 21 ARG CA C 13 58.365 0.400 . 1 . . . . 1067 ARG CA . 16441 1 201 . 1 1 21 21 ARG CB C 13 31.030 0.400 . 1 . . . . 1067 ARG CB . 16441 1 202 . 1 1 21 21 ARG CD C 13 43.568 0.400 . 1 . . . . 1067 ARG CD . 16441 1 203 . 1 1 21 21 ARG CG C 13 27.998 0.400 . 1 . . . . 1067 ARG CG . 16441 1 204 . 1 1 21 21 ARG N N 15 119.048 0.400 . 1 . . . . 1067 ARG N . 16441 1 205 . 1 1 22 22 ILE H H 1 7.654 0.030 . 1 . . . . 1068 ILE H . 16441 1 206 . 1 1 22 22 ILE HA H 1 4.219 0.030 . 1 . . . . 1068 ILE HA . 16441 1 207 . 1 1 22 22 ILE HB H 1 1.853 0.030 . 1 . . . . 1068 ILE HB . 16441 1 208 . 1 1 22 22 ILE HD11 H 1 0.765 0.030 . 1 . . . . 1068 ILE HD1 . 16441 1 209 . 1 1 22 22 ILE HD12 H 1 0.765 0.030 . 1 . . . . 1068 ILE HD1 . 16441 1 210 . 1 1 22 22 ILE HD13 H 1 0.765 0.030 . 1 . . . . 1068 ILE HD1 . 16441 1 211 . 1 1 22 22 ILE HG12 H 1 1.188 0.030 . 2 . . . . 1068 ILE HG12 . 16441 1 212 . 1 1 22 22 ILE HG13 H 1 1.188 0.030 . 2 . . . . 1068 ILE HG13 . 16441 1 213 . 1 1 22 22 ILE HG21 H 1 0.820 0.030 . 1 . . . . 1068 ILE HG2 . 16441 1 214 . 1 1 22 22 ILE HG22 H 1 0.820 0.030 . 1 . . . . 1068 ILE HG2 . 16441 1 215 . 1 1 22 22 ILE HG23 H 1 0.820 0.030 . 1 . . . . 1068 ILE HG2 . 16441 1 216 . 1 1 22 22 ILE C C 13 173.450 0.400 . 1 . . . . 1068 ILE C . 16441 1 217 . 1 1 22 22 ILE CA C 13 61.066 0.400 . 1 . . . . 1068 ILE CA . 16441 1 218 . 1 1 22 22 ILE CB C 13 39.561 0.400 . 1 . . . . 1068 ILE CB . 16441 1 219 . 1 1 22 22 ILE CD1 C 13 13.063 0.400 . 1 . . . . 1068 ILE CD1 . 16441 1 220 . 1 1 22 22 ILE CG1 C 13 27.785 0.400 . 1 . . . . 1068 ILE CG1 . 16441 1 221 . 1 1 22 22 ILE CG2 C 13 17.938 0.400 . 1 . . . . 1068 ILE CG2 . 16441 1 222 . 1 1 22 22 ILE N N 15 118.397 0.400 . 1 . . . . 1068 ILE N . 16441 1 223 . 1 1 23 23 SER H H 1 7.671 0.030 . 1 . . . . 1069 SER H . 16441 1 224 . 1 1 23 23 SER HA H 1 4.560 0.030 . 1 . . . . 1069 SER HA . 16441 1 225 . 1 1 23 23 SER HB2 H 1 4.242 0.030 . 2 . . . . 1069 SER HB2 . 16441 1 226 . 1 1 23 23 SER HB3 H 1 4.002 0.030 . 2 . . . . 1069 SER HB3 . 16441 1 227 . 1 1 23 23 SER C C 13 174.166 0.400 . 1 . . . . 1069 SER C . 16441 1 228 . 1 1 23 23 SER CA C 13 57.304 0.400 . 1 . . . . 1069 SER CA . 16441 1 229 . 1 1 23 23 SER CB C 13 64.399 0.400 . 1 . . . . 1069 SER CB . 16441 1 230 . 1 1 23 23 SER N N 15 120.465 0.400 . 1 . . . . 1069 SER N . 16441 1 231 . 1 1 24 24 HIS H H 1 9.101 0.030 . 1 . . . . 1070 HIS H . 16441 1 232 . 1 1 24 24 HIS HA H 1 4.025 0.030 . 1 . . . . 1070 HIS HA . 16441 1 233 . 1 1 24 24 HIS HB2 H 1 2.983 0.030 . 2 . . . . 1070 HIS HB2 . 16441 1 234 . 1 1 24 24 HIS HB3 H 1 2.983 0.030 . 2 . . . . 1070 HIS HB3 . 16441 1 235 . 1 1 24 24 HIS CA C 13 61.171 0.400 . 1 . . . . 1070 HIS CA . 16441 1 236 . 1 1 24 24 HIS CB C 13 30.394 0.400 . 1 . . . . 1070 HIS CB . 16441 1 237 . 1 1 24 24 HIS N N 15 121.399 0.400 . 1 . . . . 1070 HIS N . 16441 1 238 . 1 1 27 27 ILE H H 1 8.337 0.030 . 1 . . . . 1073 ILE H . 16441 1 239 . 1 1 27 27 ILE HA H 1 3.608 0.030 . 1 . . . . 1073 ILE HA . 16441 1 240 . 1 1 27 27 ILE HB H 1 1.923 0.030 . 1 . . . . 1073 ILE HB . 16441 1 241 . 1 1 27 27 ILE HD11 H 1 0.689 0.030 . 1 . . . . 1073 ILE HD1 . 16441 1 242 . 1 1 27 27 ILE HD12 H 1 0.689 0.030 . 1 . . . . 1073 ILE HD1 . 16441 1 243 . 1 1 27 27 ILE HD13 H 1 0.689 0.030 . 1 . . . . 1073 ILE HD1 . 16441 1 244 . 1 1 27 27 ILE HG12 H 1 1.453 0.030 . 2 . . . . 1073 ILE HG12 . 16441 1 245 . 1 1 27 27 ILE HG13 H 1 1.102 0.030 . 2 . . . . 1073 ILE HG13 . 16441 1 246 . 1 1 27 27 ILE HG21 H 1 0.736 0.030 . 1 . . . . 1073 ILE HG2 . 16441 1 247 . 1 1 27 27 ILE HG22 H 1 0.736 0.030 . 1 . . . . 1073 ILE HG2 . 16441 1 248 . 1 1 27 27 ILE HG23 H 1 0.736 0.030 . 1 . . . . 1073 ILE HG2 . 16441 1 249 . 1 1 27 27 ILE C C 13 177.424 0.400 . 1 . . . . 1073 ILE C . 16441 1 250 . 1 1 27 27 ILE CA C 13 65.387 0.400 . 1 . . . . 1073 ILE CA . 16441 1 251 . 1 1 27 27 ILE CB C 13 36.550 0.400 . 1 . . . . 1073 ILE CB . 16441 1 252 . 1 1 27 27 ILE CD1 C 13 13.897 0.400 . 1 . . . . 1073 ILE CD1 . 16441 1 253 . 1 1 27 27 ILE CG1 C 13 30.656 0.400 . 1 . . . . 1073 ILE CG1 . 16441 1 254 . 1 1 27 27 ILE CG2 C 13 17.039 0.400 . 1 . . . . 1073 ILE CG2 . 16441 1 255 . 1 1 27 27 ILE N N 15 119.073 0.400 . 1 . . . . 1073 ILE N . 16441 1 256 . 1 1 28 28 LEU H H 1 7.847 0.030 . 1 . . . . 1074 LEU H . 16441 1 257 . 1 1 28 28 LEU HA H 1 3.955 0.030 . 1 . . . . 1074 LEU HA . 16441 1 258 . 1 1 28 28 LEU HB2 H 1 2.026 0.030 . 2 . . . . 1074 LEU HB2 . 16441 1 259 . 1 1 28 28 LEU HB3 H 1 1.088 0.030 . 2 . . . . 1074 LEU HB3 . 16441 1 260 . 1 1 28 28 LEU HD11 H 1 0.858 0.030 . 2 . . . . 1074 LEU HD1 . 16441 1 261 . 1 1 28 28 LEU HD12 H 1 0.858 0.030 . 2 . . . . 1074 LEU HD1 . 16441 1 262 . 1 1 28 28 LEU HD13 H 1 0.858 0.030 . 2 . . . . 1074 LEU HD1 . 16441 1 263 . 1 1 28 28 LEU HD21 H 1 0.858 0.030 . 2 . . . . 1074 LEU HD2 . 16441 1 264 . 1 1 28 28 LEU HD22 H 1 0.858 0.030 . 2 . . . . 1074 LEU HD2 . 16441 1 265 . 1 1 28 28 LEU HD23 H 1 0.858 0.030 . 2 . . . . 1074 LEU HD2 . 16441 1 266 . 1 1 28 28 LEU HG H 1 1.677 0.030 . 1 . . . . 1074 LEU HG . 16441 1 267 . 1 1 28 28 LEU C C 13 179.139 0.400 . 1 . . . . 1074 LEU C . 16441 1 268 . 1 1 28 28 LEU CA C 13 57.264 0.400 . 1 . . . . 1074 LEU CA . 16441 1 269 . 1 1 28 28 LEU CB C 13 41.469 0.400 . 1 . . . . 1074 LEU CB . 16441 1 270 . 1 1 28 28 LEU CD1 C 13 23.309 0.400 . 1 . . . . 1074 LEU CD1 . 16441 1 271 . 1 1 28 28 LEU CG C 13 27.695 0.400 . 1 . . . . 1074 LEU CG . 16441 1 272 . 1 1 28 28 LEU N N 15 119.539 0.400 . 1 . . . . 1074 LEU N . 16441 1 273 . 1 1 29 29 ALA H H 1 8.104 0.030 . 1 . . . . 1075 ALA H . 16441 1 274 . 1 1 29 29 ALA HA H 1 3.725 0.030 . 1 . . . . 1075 ALA HA . 16441 1 275 . 1 1 29 29 ALA HB1 H 1 1.389 0.030 . 1 . . . . 1075 ALA HB . 16441 1 276 . 1 1 29 29 ALA HB2 H 1 1.389 0.030 . 1 . . . . 1075 ALA HB . 16441 1 277 . 1 1 29 29 ALA HB3 H 1 1.389 0.030 . 1 . . . . 1075 ALA HB . 16441 1 278 . 1 1 29 29 ALA C C 13 180.173 0.400 . 1 . . . . 1075 ALA C . 16441 1 279 . 1 1 29 29 ALA CA C 13 55.715 0.400 . 1 . . . . 1075 ALA CA . 16441 1 280 . 1 1 29 29 ALA CB C 13 19.416 0.400 . 1 . . . . 1075 ALA CB . 16441 1 281 . 1 1 29 29 ALA N N 15 121.873 0.400 . 1 . . . . 1075 ALA N . 16441 1 282 . 1 1 30 30 ILE H H 1 8.389 0.030 . 1 . . . . 1076 ILE H . 16441 1 283 . 1 1 30 30 ILE HA H 1 3.476 0.030 . 1 . . . . 1076 ILE HA . 16441 1 284 . 1 1 30 30 ILE HB H 1 1.658 0.030 . 1 . . . . 1076 ILE HB . 16441 1 285 . 1 1 30 30 ILE HD11 H 1 0.027 0.030 . 1 . . . . 1076 ILE HD1 . 16441 1 286 . 1 1 30 30 ILE HD12 H 1 0.027 0.030 . 1 . . . . 1076 ILE HD1 . 16441 1 287 . 1 1 30 30 ILE HD13 H 1 0.027 0.030 . 1 . . . . 1076 ILE HD1 . 16441 1 288 . 1 1 30 30 ILE HG12 H 1 1.598 0.030 . 2 . . . . 1076 ILE HG12 . 16441 1 289 . 1 1 30 30 ILE HG13 H 1 0.213 0.030 . 2 . . . . 1076 ILE HG13 . 16441 1 290 . 1 1 30 30 ILE HG21 H 1 0.656 0.030 . 1 . . . . 1076 ILE HG2 . 16441 1 291 . 1 1 30 30 ILE HG22 H 1 0.656 0.030 . 1 . . . . 1076 ILE HG2 . 16441 1 292 . 1 1 30 30 ILE HG23 H 1 0.656 0.030 . 1 . . . . 1076 ILE HG2 . 16441 1 293 . 1 1 30 30 ILE CA C 13 66.582 0.400 . 1 . . . . 1076 ILE CA . 16441 1 294 . 1 1 30 30 ILE CB C 13 38.920 0.400 . 1 . . . . 1076 ILE CB . 16441 1 295 . 1 1 30 30 ILE CD1 C 13 14.066 0.400 . 1 . . . . 1076 ILE CD1 . 16441 1 296 . 1 1 30 30 ILE CG1 C 13 31.105 0.400 . 1 . . . . 1076 ILE CG1 . 16441 1 297 . 1 1 30 30 ILE CG2 C 13 18.777 0.400 . 1 . . . . 1076 ILE CG2 . 16441 1 298 . 1 1 30 30 ILE N N 15 121.126 0.400 . 1 . . . . 1076 ILE N . 16441 1 299 . 1 1 31 31 VAL H H 1 9.064 0.030 . 1 . . . . 1077 VAL H . 16441 1 300 . 1 1 31 31 VAL HA H 1 3.522 0.030 . 1 . . . . 1077 VAL HA . 16441 1 301 . 1 1 31 31 VAL HB H 1 2.147 0.030 . 1 . . . . 1077 VAL HB . 16441 1 302 . 1 1 31 31 VAL HG11 H 1 0.963 0.030 . 2 . . . . 1077 VAL HG1 . 16441 1 303 . 1 1 31 31 VAL HG12 H 1 0.963 0.030 . 2 . . . . 1077 VAL HG1 . 16441 1 304 . 1 1 31 31 VAL HG13 H 1 0.963 0.030 . 2 . . . . 1077 VAL HG1 . 16441 1 305 . 1 1 31 31 VAL HG21 H 1 0.814 0.030 . 2 . . . . 1077 VAL HG2 . 16441 1 306 . 1 1 31 31 VAL HG22 H 1 0.814 0.030 . 2 . . . . 1077 VAL HG2 . 16441 1 307 . 1 1 31 31 VAL HG23 H 1 0.814 0.030 . 2 . . . . 1077 VAL HG2 . 16441 1 308 . 1 1 31 31 VAL C C 13 177.539 0.400 . 1 . . . . 1077 VAL C . 16441 1 309 . 1 1 31 31 VAL CA C 13 66.640 0.400 . 1 . . . . 1077 VAL CA . 16441 1 310 . 1 1 31 31 VAL CB C 13 31.618 0.400 . 1 . . . . 1077 VAL CB . 16441 1 311 . 1 1 31 31 VAL CG1 C 13 24.436 0.400 . 1 . . . . 1077 VAL CG1 . 16441 1 312 . 1 1 31 31 VAL CG2 C 13 23.136 0.400 . 1 . . . . 1077 VAL CG2 . 16441 1 313 . 1 1 31 31 VAL N N 15 118.096 0.400 . 1 . . . . 1077 VAL N . 16441 1 314 . 1 1 32 32 GLY H H 1 8.870 0.030 . 1 . . . . 1078 GLY H . 16441 1 315 . 1 1 32 32 GLY HA2 H 1 3.582 0.030 . 2 . . . . 1078 GLY HA2 . 16441 1 316 . 1 1 32 32 GLY HA3 H 1 3.384 0.030 . 2 . . . . 1078 GLY HA3 . 16441 1 317 . 1 1 32 32 GLY C C 13 174.949 0.400 . 1 . . . . 1078 GLY C . 16441 1 318 . 1 1 32 32 GLY CA C 13 48.721 0.400 . 1 . . . . 1078 GLY CA . 16441 1 319 . 1 1 32 32 GLY N N 15 108.553 0.400 . 1 . . . . 1078 GLY N . 16441 1 320 . 1 1 33 33 THR H H 1 7.452 0.030 . 1 . . . . 1079 THR H . 16441 1 321 . 1 1 33 33 THR HA H 1 4.200 0.030 . 1 . . . . 1079 THR HA . 16441 1 322 . 1 1 33 33 THR HB H 1 3.689 0.030 . 1 . . . . 1079 THR HB . 16441 1 323 . 1 1 33 33 THR HG1 H 1 5.441 0.030 . 1 . . . . 1079 THR HG1 . 16441 1 324 . 1 1 33 33 THR HG21 H 1 1.042 0.030 . 1 . . . . 1079 THR HG2 . 16441 1 325 . 1 1 33 33 THR HG22 H 1 1.042 0.030 . 1 . . . . 1079 THR HG2 . 16441 1 326 . 1 1 33 33 THR HG23 H 1 1.042 0.030 . 1 . . . . 1079 THR HG2 . 16441 1 327 . 1 1 33 33 THR C C 13 176.646 0.400 . 1 . . . . 1079 THR C . 16441 1 328 . 1 1 33 33 THR CA C 13 68.671 0.400 . 1 . . . . 1079 THR CA . 16441 1 329 . 1 1 33 33 THR CB C 13 68.431 0.400 . 1 . . . . 1079 THR CB . 16441 1 330 . 1 1 33 33 THR CG2 C 13 22.696 0.400 . 1 . . . . 1079 THR CG2 . 16441 1 331 . 1 1 33 33 THR N N 15 116.737 0.400 . 1 . . . . 1079 THR N . 16441 1 332 . 1 1 34 34 ALA H H 1 8.348 0.030 . 1 . . . . 1080 ALA H . 16441 1 333 . 1 1 34 34 ALA HA H 1 4.214 0.030 . 1 . . . . 1080 ALA HA . 16441 1 334 . 1 1 34 34 ALA HB1 H 1 1.410 0.030 . 1 . . . . 1080 ALA HB . 16441 1 335 . 1 1 34 34 ALA HB2 H 1 1.410 0.030 . 1 . . . . 1080 ALA HB . 16441 1 336 . 1 1 34 34 ALA HB3 H 1 1.410 0.030 . 1 . . . . 1080 ALA HB . 16441 1 337 . 1 1 34 34 ALA CA C 13 55.037 0.400 . 1 . . . . 1080 ALA CA . 16441 1 338 . 1 1 34 34 ALA CB C 13 19.370 0.400 . 1 . . . . 1080 ALA CB . 16441 1 339 . 1 1 34 34 ALA N N 15 124.894 0.400 . 1 . . . . 1080 ALA N . 16441 1 340 . 1 1 35 35 GLU H H 1 7.780 0.030 . 1 . . . . 1081 GLU H . 16441 1 341 . 1 1 35 35 GLU HA H 1 4.287 0.030 . 1 . . . . 1081 GLU HA . 16441 1 342 . 1 1 35 35 GLU HB2 H 1 1.695 0.030 . 2 . . . . 1081 GLU HB2 . 16441 1 343 . 1 1 35 35 GLU HB3 H 1 1.695 0.030 . 2 . . . . 1081 GLU HB3 . 16441 1 344 . 1 1 35 35 GLU C C 13 178.646 0.400 . 1 . . . . 1081 GLU C . 16441 1 345 . 1 1 35 35 GLU CA C 13 56.902 0.400 . 1 . . . . 1081 GLU CA . 16441 1 346 . 1 1 35 35 GLU CB C 13 27.458 0.400 . 1 . . . . 1081 GLU CB . 16441 1 347 . 1 1 35 35 GLU N N 15 109.790 0.400 . 1 . . . . 1081 GLU N . 16441 1 348 . 1 1 36 36 SER H H 1 7.693 0.030 . 1 . . . . 1082 SER H . 16441 1 349 . 1 1 36 36 SER HA H 1 4.175 0.030 . 1 . . . . 1082 SER HA . 16441 1 350 . 1 1 36 36 SER HB2 H 1 3.981 0.030 . 2 . . . . 1082 SER HB2 . 16441 1 351 . 1 1 36 36 SER HB3 H 1 3.981 0.030 . 2 . . . . 1082 SER HB3 . 16441 1 352 . 1 1 36 36 SER C C 13 174.708 0.400 . 1 . . . . 1082 SER C . 16441 1 353 . 1 1 36 36 SER CA C 13 62.330 0.400 . 1 . . . . 1082 SER CA . 16441 1 354 . 1 1 36 36 SER CB C 13 60.938 0.400 . 1 . . . . 1082 SER CB . 16441 1 355 . 1 1 36 36 SER N N 15 117.138 0.400 . 1 . . . . 1082 SER N . 16441 1 356 . 1 1 37 37 ASN H H 1 7.386 0.030 . 1 . . . . 1083 ASN H . 16441 1 357 . 1 1 37 37 ASN HA H 1 4.677 0.030 . 1 . . . . 1083 ASN HA . 16441 1 358 . 1 1 37 37 ASN HB2 H 1 2.081 0.030 . 2 . . . . 1083 ASN HB2 . 16441 1 359 . 1 1 37 37 ASN HB3 H 1 1.753 0.030 . 2 . . . . 1083 ASN HB3 . 16441 1 360 . 1 1 37 37 ASN HD21 H 1 6.510 0.030 . 1 . . . . 1083 ASN HD21 . 16441 1 361 . 1 1 37 37 ASN HD22 H 1 6.940 0.030 . 1 . . . . 1083 ASN HD22 . 16441 1 362 . 1 1 37 37 ASN C C 13 174.054 0.400 . 1 . . . . 1083 ASN C . 16441 1 363 . 1 1 37 37 ASN CA C 13 52.841 0.400 . 1 . . . . 1083 ASN CA . 16441 1 364 . 1 1 37 37 ASN CB C 13 39.458 0.400 . 1 . . . . 1083 ASN CB . 16441 1 365 . 1 1 37 37 ASN N N 15 118.200 0.400 . 1 . . . . 1083 ASN N . 16441 1 366 . 1 1 37 37 ASN ND2 N 15 111.090 0.400 . 1 . . . . 1083 ASN ND2 . 16441 1 367 . 1 1 38 38 SER H H 1 7.649 0.030 . 1 . . . . 1084 SER H . 16441 1 368 . 1 1 38 38 SER HA H 1 4.271 0.030 . 1 . . . . 1084 SER HA . 16441 1 369 . 1 1 38 38 SER HB2 H 1 4.014 0.030 . 2 . . . . 1084 SER HB2 . 16441 1 370 . 1 1 38 38 SER HB3 H 1 4.014 0.030 . 2 . . . . 1084 SER HB3 . 16441 1 371 . 1 1 38 38 SER C C 13 175.591 0.400 . 1 . . . . 1084 SER C . 16441 1 372 . 1 1 38 38 SER CA C 13 58.761 0.400 . 1 . . . . 1084 SER CA . 16441 1 373 . 1 1 38 38 SER CB C 13 65.132 0.400 . 1 . . . . 1084 SER CB . 16441 1 374 . 1 1 38 38 SER N N 15 113.839 0.400 . 1 . . . . 1084 SER N . 16441 1 375 . 1 1 39 39 GLU H H 1 8.991 0.030 . 1 . . . . 1085 GLU H . 16441 1 376 . 1 1 39 39 GLU HA H 1 4.482 0.030 . 1 . . . . 1085 GLU HA . 16441 1 377 . 1 1 39 39 GLU HB2 H 1 2.295 0.030 . 2 . . . . 1085 GLU HB2 . 16441 1 378 . 1 1 39 39 GLU HB3 H 1 1.904 0.030 . 2 . . . . 1085 GLU HB3 . 16441 1 379 . 1 1 39 39 GLU HG2 H 1 2.227 0.030 . 2 . . . . 1085 GLU HG2 . 16441 1 380 . 1 1 39 39 GLU HG3 H 1 2.227 0.030 . 2 . . . . 1085 GLU HG3 . 16441 1 381 . 1 1 39 39 GLU C C 13 173.804 0.400 . 1 . . . . 1085 GLU C . 16441 1 382 . 1 1 39 39 GLU CA C 13 55.983 0.400 . 1 . . . . 1085 GLU CA . 16441 1 383 . 1 1 39 39 GLU CB C 13 30.183 0.400 . 1 . . . . 1085 GLU CB . 16441 1 384 . 1 1 39 39 GLU CG C 13 36.784 0.400 . 1 . . . . 1085 GLU CG . 16441 1 385 . 1 1 39 39 GLU N N 15 126.870 0.400 . 1 . . . . 1085 GLU N . 16441 1 386 . 1 1 40 40 HIS H H 1 8.455 0.030 . 1 . . . . 1086 HIS H . 16441 1 387 . 1 1 40 40 HIS HA H 1 4.622 0.030 . 1 . . . . 1086 HIS HA . 16441 1 388 . 1 1 40 40 HIS HB2 H 1 3.396 0.030 . 2 . . . . 1086 HIS HB2 . 16441 1 389 . 1 1 40 40 HIS HB3 H 1 2.896 0.030 . 2 . . . . 1086 HIS HB3 . 16441 1 390 . 1 1 40 40 HIS HD2 H 1 7.229 0.030 . 1 . . . . 1086 HIS HD2 . 16441 1 391 . 1 1 40 40 HIS C C 13 175.028 0.400 . 1 . . . . 1086 HIS C . 16441 1 392 . 1 1 40 40 HIS CA C 13 56.648 0.400 . 1 . . . . 1086 HIS CA . 16441 1 393 . 1 1 40 40 HIS CB C 13 33.905 0.400 . 1 . . . . 1086 HIS CB . 16441 1 394 . 1 1 40 40 HIS N N 15 126.047 0.400 . 1 . . . . 1086 HIS N . 16441 1 395 . 1 1 41 41 PRO HA H 1 4.309 0.030 . 1 . . . . 1087 PRO HA . 16441 1 396 . 1 1 41 41 PRO HB2 H 1 2.261 0.030 . 2 . . . . 1087 PRO HB2 . 16441 1 397 . 1 1 41 41 PRO HB3 H 1 1.632 0.030 . 2 . . . . 1087 PRO HB3 . 16441 1 398 . 1 1 41 41 PRO HD2 H 1 3.518 0.030 . 2 . . . . 1087 PRO HD2 . 16441 1 399 . 1 1 41 41 PRO HD3 H 1 2.238 0.030 . 2 . . . . 1087 PRO HD3 . 16441 1 400 . 1 1 41 41 PRO HG2 H 1 1.849 0.030 . 2 . . . . 1087 PRO HG2 . 16441 1 401 . 1 1 41 41 PRO HG3 H 1 1.775 0.030 . 2 . . . . 1087 PRO HG3 . 16441 1 402 . 1 1 41 41 PRO CA C 13 65.955 0.400 . 1 . . . . 1087 PRO CA . 16441 1 403 . 1 1 41 41 PRO CB C 13 33.166 0.400 . 1 . . . . 1087 PRO CB . 16441 1 404 . 1 1 41 41 PRO CD C 13 50.755 0.400 . 1 . . . . 1087 PRO CD . 16441 1 405 . 1 1 41 41 PRO CG C 13 28.414 0.400 . 1 . . . . 1087 PRO CG . 16441 1 406 . 1 1 42 42 LEU H H 1 11.189 0.030 . 1 . . . . 1088 LEU H . 16441 1 407 . 1 1 42 42 LEU HA H 1 3.828 0.030 . 1 . . . . 1088 LEU HA . 16441 1 408 . 1 1 42 42 LEU HB2 H 1 1.137 0.030 . 2 . . . . 1088 LEU HB2 . 16441 1 409 . 1 1 42 42 LEU HB3 H 1 0.732 0.030 . 2 . . . . 1088 LEU HB3 . 16441 1 410 . 1 1 42 42 LEU HD11 H 1 0.106 0.030 . 2 . . . . 1088 LEU HD1 . 16441 1 411 . 1 1 42 42 LEU HD12 H 1 0.106 0.030 . 2 . . . . 1088 LEU HD1 . 16441 1 412 . 1 1 42 42 LEU HD13 H 1 0.106 0.030 . 2 . . . . 1088 LEU HD1 . 16441 1 413 . 1 1 42 42 LEU HD21 H 1 0.444 0.030 . 2 . . . . 1088 LEU HD2 . 16441 1 414 . 1 1 42 42 LEU HD22 H 1 0.444 0.030 . 2 . . . . 1088 LEU HD2 . 16441 1 415 . 1 1 42 42 LEU HD23 H 1 0.444 0.030 . 2 . . . . 1088 LEU HD2 . 16441 1 416 . 1 1 42 42 LEU HG H 1 1.444 0.030 . 1 . . . . 1088 LEU HG . 16441 1 417 . 1 1 42 42 LEU C C 13 179.385 0.400 . 1 . . . . 1088 LEU C . 16441 1 418 . 1 1 42 42 LEU CA C 13 58.667 0.400 . 1 . . . . 1088 LEU CA . 16441 1 419 . 1 1 42 42 LEU CB C 13 41.710 0.400 . 1 . . . . 1088 LEU CB . 16441 1 420 . 1 1 42 42 LEU CD1 C 13 25.347 0.400 . 1 . . . . 1088 LEU CD1 . 16441 1 421 . 1 1 42 42 LEU CD2 C 13 23.678 0.400 . 1 . . . . 1088 LEU CD2 . 16441 1 422 . 1 1 42 42 LEU CG C 13 27.009 0.400 . 1 . . . . 1088 LEU CG . 16441 1 423 . 1 1 42 42 LEU N N 15 119.828 0.400 . 1 . . . . 1088 LEU N . 16441 1 424 . 1 1 43 43 GLY H H 1 7.471 0.030 . 1 . . . . 1089 GLY H . 16441 1 425 . 1 1 43 43 GLY HA2 H 1 4.011 0.030 . 2 . . . . 1089 GLY HA2 . 16441 1 426 . 1 1 43 43 GLY HA3 H 1 3.797 0.030 . 2 . . . . 1089 GLY HA3 . 16441 1 427 . 1 1 43 43 GLY C C 13 177.341 0.400 . 1 . . . . 1089 GLY C . 16441 1 428 . 1 1 43 43 GLY CA C 13 48.528 0.400 . 1 . . . . 1089 GLY CA . 16441 1 429 . 1 1 43 43 GLY N N 15 106.579 0.400 . 1 . . . . 1089 GLY N . 16441 1 430 . 1 1 44 44 THR H H 1 8.616 0.030 . 1 . . . . 1090 THR H . 16441 1 431 . 1 1 44 44 THR HA H 1 4.137 0.030 . 1 . . . . 1090 THR HA . 16441 1 432 . 1 1 44 44 THR HB H 1 4.179 0.030 . 1 . . . . 1090 THR HB . 16441 1 433 . 1 1 44 44 THR HG21 H 1 1.230 0.030 . 1 . . . . 1090 THR HG2 . 16441 1 434 . 1 1 44 44 THR HG22 H 1 1.230 0.030 . 1 . . . . 1090 THR HG2 . 16441 1 435 . 1 1 44 44 THR HG23 H 1 1.230 0.030 . 1 . . . . 1090 THR HG2 . 16441 1 436 . 1 1 44 44 THR C C 13 177.381 0.400 . 1 . . . . 1090 THR C . 16441 1 437 . 1 1 44 44 THR CA C 13 66.188 0.400 . 1 . . . . 1090 THR CA . 16441 1 438 . 1 1 44 44 THR CB C 13 68.884 0.400 . 1 . . . . 1090 THR CB . 16441 1 439 . 1 1 44 44 THR CG2 C 13 22.074 0.400 . 1 . . . . 1090 THR CG2 . 16441 1 440 . 1 1 44 44 THR N N 15 119.279 0.400 . 1 . . . . 1090 THR N . 16441 1 441 . 1 1 45 45 ALA H H 1 7.629 0.030 . 1 . . . . 1091 ALA H . 16441 1 442 . 1 1 45 45 ALA HA H 1 4.212 0.030 . 1 . . . . 1091 ALA HA . 16441 1 443 . 1 1 45 45 ALA HB1 H 1 1.350 0.030 . 1 . . . . 1091 ALA HB . 16441 1 444 . 1 1 45 45 ALA HB2 H 1 1.350 0.030 . 1 . . . . 1091 ALA HB . 16441 1 445 . 1 1 45 45 ALA HB3 H 1 1.350 0.030 . 1 . . . . 1091 ALA HB . 16441 1 446 . 1 1 45 45 ALA C C 13 181.102 0.400 . 1 . . . . 1091 ALA C . 16441 1 447 . 1 1 45 45 ALA CA C 13 55.430 0.400 . 1 . . . . 1091 ALA CA . 16441 1 448 . 1 1 45 45 ALA CB C 13 18.829 0.400 . 1 . . . . 1091 ALA CB . 16441 1 449 . 1 1 45 45 ALA N N 15 123.823 0.400 . 1 . . . . 1091 ALA N . 16441 1 450 . 1 1 46 46 ILE H H 1 8.264 0.030 . 1 . . . . 1092 ILE H . 16441 1 451 . 1 1 46 46 ILE HA H 1 3.568 0.030 . 1 . . . . 1092 ILE HA . 16441 1 452 . 1 1 46 46 ILE HB H 1 1.791 0.030 . 1 . . . . 1092 ILE HB . 16441 1 453 . 1 1 46 46 ILE HD11 H 1 0.666 0.030 . 1 . . . . 1092 ILE HD1 . 16441 1 454 . 1 1 46 46 ILE HD12 H 1 0.666 0.030 . 1 . . . . 1092 ILE HD1 . 16441 1 455 . 1 1 46 46 ILE HD13 H 1 0.666 0.030 . 1 . . . . 1092 ILE HD1 . 16441 1 456 . 1 1 46 46 ILE HG12 H 1 1.889 0.030 . 2 . . . . 1092 ILE HG12 . 16441 1 457 . 1 1 46 46 ILE HG13 H 1 0.525 0.030 . 2 . . . . 1092 ILE HG13 . 16441 1 458 . 1 1 46 46 ILE HG21 H 1 0.744 0.030 . 1 . . . . 1092 ILE HG2 . 16441 1 459 . 1 1 46 46 ILE HG22 H 1 0.744 0.030 . 1 . . . . 1092 ILE HG2 . 16441 1 460 . 1 1 46 46 ILE HG23 H 1 0.744 0.030 . 1 . . . . 1092 ILE HG2 . 16441 1 461 . 1 1 46 46 ILE CA C 13 66.335 0.400 . 1 . . . . 1092 ILE CA . 16441 1 462 . 1 1 46 46 ILE CB C 13 38.720 0.400 . 1 . . . . 1092 ILE CB . 16441 1 463 . 1 1 46 46 ILE CD1 C 13 13.766 0.400 . 1 . . . . 1092 ILE CD1 . 16441 1 464 . 1 1 46 46 ILE CG1 C 13 31.120 0.400 . 1 . . . . 1092 ILE CG1 . 16441 1 465 . 1 1 46 46 ILE CG2 C 13 19.572 0.400 . 1 . . . . 1092 ILE CG2 . 16441 1 466 . 1 1 46 46 ILE N N 15 119.463 0.400 . 1 . . . . 1092 ILE N . 16441 1 467 . 1 1 47 47 THR H H 1 8.575 0.030 . 1 . . . . 1093 THR H . 16441 1 468 . 1 1 47 47 THR HA H 1 3.515 0.030 . 1 . . . . 1093 THR HA . 16441 1 469 . 1 1 47 47 THR HB H 1 4.117 0.030 . 1 . . . . 1093 THR HB . 16441 1 470 . 1 1 47 47 THR HG21 H 1 1.093 0.030 . 1 . . . . 1093 THR HG2 . 16441 1 471 . 1 1 47 47 THR HG22 H 1 1.093 0.030 . 1 . . . . 1093 THR HG2 . 16441 1 472 . 1 1 47 47 THR HG23 H 1 1.093 0.030 . 1 . . . . 1093 THR HG2 . 16441 1 473 . 1 1 47 47 THR C C 13 175.824 0.400 . 1 . . . . 1093 THR C . 16441 1 474 . 1 1 47 47 THR CA C 13 69.300 0.400 . 1 . . . . 1093 THR CA . 16441 1 475 . 1 1 47 47 THR CB C 13 68.171 0.400 . 1 . . . . 1093 THR CB . 16441 1 476 . 1 1 47 47 THR CG2 C 13 21.927 0.400 . 1 . . . . 1093 THR CG2 . 16441 1 477 . 1 1 47 47 THR N N 15 119.164 0.400 . 1 . . . . 1093 THR N . 16441 1 478 . 1 1 48 48 LYS H H 1 7.915 0.030 . 1 . . . . 1094 LYS H . 16441 1 479 . 1 1 48 48 LYS HA H 1 3.885 0.030 . 1 . . . . 1094 LYS HA . 16441 1 480 . 1 1 48 48 LYS HB2 H 1 1.958 0.030 . 2 . . . . 1094 LYS HB2 . 16441 1 481 . 1 1 48 48 LYS HB3 H 1 1.958 0.030 . 2 . . . . 1094 LYS HB3 . 16441 1 482 . 1 1 48 48 LYS HG2 H 1 1.593 0.030 . 2 . . . . 1094 LYS HG2 . 16441 1 483 . 1 1 48 48 LYS HG3 H 1 1.438 0.030 . 2 . . . . 1094 LYS HG3 . 16441 1 484 . 1 1 48 48 LYS C C 13 178.586 0.400 . 1 . . . . 1094 LYS C . 16441 1 485 . 1 1 48 48 LYS CA C 13 60.601 0.400 . 1 . . . . 1094 LYS CA . 16441 1 486 . 1 1 48 48 LYS CB C 13 33.047 0.400 . 1 . . . . 1094 LYS CB . 16441 1 487 . 1 1 48 48 LYS CG C 13 25.487 0.400 . 1 . . . . 1094 LYS CG . 16441 1 488 . 1 1 48 48 LYS N N 15 120.183 0.400 . 1 . . . . 1094 LYS N . 16441 1 489 . 1 1 49 49 TYR H H 1 7.628 0.030 . 1 . . . . 1095 TYR H . 16441 1 490 . 1 1 49 49 TYR HA H 1 4.236 0.030 . 1 . . . . 1095 TYR HA . 16441 1 491 . 1 1 49 49 TYR HB2 H 1 3.239 0.030 . 2 . . . . 1095 TYR HB2 . 16441 1 492 . 1 1 49 49 TYR HB3 H 1 3.133 0.030 . 2 . . . . 1095 TYR HB3 . 16441 1 493 . 1 1 49 49 TYR HD1 H 1 7.047 0.030 . 1 . . . . 1095 TYR HD1 . 16441 1 494 . 1 1 49 49 TYR HD2 H 1 7.047 0.030 . 1 . . . . 1095 TYR HD2 . 16441 1 495 . 1 1 49 49 TYR HE1 H 1 6.654 0.030 . 1 . . . . 1095 TYR HE1 . 16441 1 496 . 1 1 49 49 TYR HE2 H 1 6.654 0.030 . 1 . . . . 1095 TYR HE2 . 16441 1 497 . 1 1 49 49 TYR C C 13 177.083 0.400 . 1 . . . . 1095 TYR C . 16441 1 498 . 1 1 49 49 TYR CA C 13 61.699 0.400 . 1 . . . . 1095 TYR CA . 16441 1 499 . 1 1 49 49 TYR CB C 13 39.642 0.400 . 1 . . . . 1095 TYR CB . 16441 1 500 . 1 1 49 49 TYR N N 15 119.412 0.400 . 1 . . . . 1095 TYR N . 16441 1 501 . 1 1 50 50 CYS H H 1 8.390 0.030 . 1 . . . . 1096 CYS H . 16441 1 502 . 1 1 50 50 CYS HA H 1 3.792 0.030 . 1 . . . . 1096 CYS HA . 16441 1 503 . 1 1 50 50 CYS HB2 H 1 2.996 0.030 . 2 . . . . 1096 CYS HB2 . 16441 1 504 . 1 1 50 50 CYS HB3 H 1 2.514 0.030 . 2 . . . . 1096 CYS HB3 . 16441 1 505 . 1 1 50 50 CYS C C 13 176.462 0.400 . 1 . . . . 1096 CYS C . 16441 1 506 . 1 1 50 50 CYS CA C 13 65.428 0.400 . 1 . . . . 1096 CYS CA . 16441 1 507 . 1 1 50 50 CYS CB C 13 27.713 0.400 . 1 . . . . 1096 CYS CB . 16441 1 508 . 1 1 50 50 CYS N N 15 116.998 0.400 . 1 . . . . 1096 CYS N . 16441 1 509 . 1 1 51 51 LYS H H 1 8.268 0.030 . 1 . . . . 1097 LYS H . 16441 1 510 . 1 1 51 51 LYS HA H 1 3.804 0.030 . 1 . . . . 1097 LYS HA . 16441 1 511 . 1 1 51 51 LYS HB2 H 1 2.165 0.030 . 2 . . . . 1097 LYS HB2 . 16441 1 512 . 1 1 51 51 LYS HB3 H 1 2.165 0.030 . 2 . . . . 1097 LYS HB3 . 16441 1 513 . 1 1 51 51 LYS HD2 H 1 1.623 0.030 . 2 . . . . 1097 LYS HD2 . 16441 1 514 . 1 1 51 51 LYS HD3 H 1 1.623 0.030 . 2 . . . . 1097 LYS HD3 . 16441 1 515 . 1 1 51 51 LYS C C 13 178.714 0.400 . 1 . . . . 1097 LYS C . 16441 1 516 . 1 1 51 51 LYS CA C 13 61.133 0.400 . 1 . . . . 1097 LYS CA . 16441 1 517 . 1 1 51 51 LYS CB C 13 33.211 0.400 . 1 . . . . 1097 LYS CB . 16441 1 518 . 1 1 51 51 LYS CD C 13 30.635 0.400 . 1 . . . . 1097 LYS CD . 16441 1 519 . 1 1 51 51 LYS N N 15 117.760 0.400 . 1 . . . . 1097 LYS N . 16441 1 520 . 1 1 52 52 GLN H H 1 7.669 0.030 . 1 . . . . 1098 GLN H . 16441 1 521 . 1 1 52 52 GLN HA H 1 4.095 0.030 . 1 . . . . 1098 GLN HA . 16441 1 522 . 1 1 52 52 GLN HB2 H 1 2.224 0.030 . 2 . . . . 1098 GLN HB2 . 16441 1 523 . 1 1 52 52 GLN HB3 H 1 2.120 0.030 . 2 . . . . 1098 GLN HB3 . 16441 1 524 . 1 1 52 52 GLN HG2 H 1 2.379 0.030 . 2 . . . . 1098 GLN HG2 . 16441 1 525 . 1 1 52 52 GLN HG3 H 1 2.282 0.030 . 2 . . . . 1098 GLN HG3 . 16441 1 526 . 1 1 52 52 GLN C C 13 179.547 0.400 . 1 . . . . 1098 GLN C . 16441 1 527 . 1 1 52 52 GLN CA C 13 58.761 0.400 . 1 . . . . 1098 GLN CA . 16441 1 528 . 1 1 52 52 GLN CB C 13 29.020 0.400 . 1 . . . . 1098 GLN CB . 16441 1 529 . 1 1 52 52 GLN CG C 13 34.362 0.400 . 1 . . . . 1098 GLN CG . 16441 1 530 . 1 1 52 52 GLN N N 15 117.674 0.400 . 1 . . . . 1098 GLN N . 16441 1 531 . 1 1 53 53 GLU H H 1 8.179 0.030 . 1 . . . . 1099 GLU H . 16441 1 532 . 1 1 53 53 GLU HA H 1 3.829 0.030 . 1 . . . . 1099 GLU HA . 16441 1 533 . 1 1 53 53 GLU HB2 H 1 1.847 0.030 . 2 . . . . 1099 GLU HB2 . 16441 1 534 . 1 1 53 53 GLU HB3 H 1 1.541 0.030 . 2 . . . . 1099 GLU HB3 . 16441 1 535 . 1 1 53 53 GLU HG2 H 1 1.662 0.030 . 2 . . . . 1099 GLU HG2 . 16441 1 536 . 1 1 53 53 GLU HG3 H 1 1.599 0.030 . 2 . . . . 1099 GLU HG3 . 16441 1 537 . 1 1 53 53 GLU C C 13 178.477 0.400 . 1 . . . . 1099 GLU C . 16441 1 538 . 1 1 53 53 GLU CA C 13 58.844 0.400 . 1 . . . . 1099 GLU CA . 16441 1 539 . 1 1 53 53 GLU CB C 13 31.089 0.400 . 1 . . . . 1099 GLU CB . 16441 1 540 . 1 1 53 53 GLU CG C 13 36.533 0.400 . 1 . . . . 1099 GLU CG . 16441 1 541 . 1 1 53 53 GLU N N 15 118.521 0.400 . 1 . . . . 1099 GLU N . 16441 1 542 . 1 1 54 54 LEU H H 1 7.844 0.030 . 1 . . . . 1100 LEU H . 16441 1 543 . 1 1 54 54 LEU HA H 1 4.176 0.030 . 1 . . . . 1100 LEU HA . 16441 1 544 . 1 1 54 54 LEU HB2 H 1 1.384 0.030 . 2 . . . . 1100 LEU HB2 . 16441 1 545 . 1 1 54 54 LEU HB3 H 1 1.384 0.030 . 2 . . . . 1100 LEU HB3 . 16441 1 546 . 1 1 54 54 LEU HD11 H 1 0.539 0.030 . 2 . . . . 1100 LEU HD1 . 16441 1 547 . 1 1 54 54 LEU HD12 H 1 0.539 0.030 . 2 . . . . 1100 LEU HD1 . 16441 1 548 . 1 1 54 54 LEU HD13 H 1 0.539 0.030 . 2 . . . . 1100 LEU HD1 . 16441 1 549 . 1 1 54 54 LEU HD21 H 1 0.704 0.030 . 2 . . . . 1100 LEU HD2 . 16441 1 550 . 1 1 54 54 LEU HD22 H 1 0.704 0.030 . 2 . . . . 1100 LEU HD2 . 16441 1 551 . 1 1 54 54 LEU HD23 H 1 0.704 0.030 . 2 . . . . 1100 LEU HD2 . 16441 1 552 . 1 1 54 54 LEU HG H 1 1.635 0.030 . 1 . . . . 1100 LEU HG . 16441 1 553 . 1 1 54 54 LEU C C 13 175.846 0.400 . 1 . . . . 1100 LEU C . 16441 1 554 . 1 1 54 54 LEU CA C 13 55.389 0.400 . 1 . . . . 1100 LEU CA . 16441 1 555 . 1 1 54 54 LEU CB C 13 42.197 0.400 . 1 . . . . 1100 LEU CB . 16441 1 556 . 1 1 54 54 LEU CD1 C 13 25.370 0.400 . 1 . . . . 1100 LEU CD1 . 16441 1 557 . 1 1 54 54 LEU CD2 C 13 26.950 0.400 . 1 . . . . 1100 LEU CD2 . 16441 1 558 . 1 1 54 54 LEU CG C 13 28.226 0.400 . 1 . . . . 1100 LEU CG . 16441 1 559 . 1 1 54 54 LEU N N 15 115.962 0.400 . 1 . . . . 1100 LEU N . 16441 1 560 . 1 1 55 55 ASP H H 1 7.663 0.030 . 1 . . . . 1101 ASP H . 16441 1 561 . 1 1 55 55 ASP HA H 1 4.246 0.030 . 1 . . . . 1101 ASP HA . 16441 1 562 . 1 1 55 55 ASP HB2 H 1 3.132 0.030 . 2 . . . . 1101 ASP HB2 . 16441 1 563 . 1 1 55 55 ASP HB3 H 1 2.284 0.030 . 2 . . . . 1101 ASP HB3 . 16441 1 564 . 1 1 55 55 ASP C C 13 173.712 0.400 . 1 . . . . 1101 ASP C . 16441 1 565 . 1 1 55 55 ASP CA C 13 54.768 0.400 . 1 . . . . 1101 ASP CA . 16441 1 566 . 1 1 55 55 ASP CB C 13 39.834 0.400 . 1 . . . . 1101 ASP CB . 16441 1 567 . 1 1 55 55 ASP N N 15 120.241 0.400 . 1 . . . . 1101 ASP N . 16441 1 568 . 1 1 56 56 THR H H 1 7.893 0.030 . 1 . . . . 1102 THR H . 16441 1 569 . 1 1 56 56 THR HA H 1 4.790 0.030 . 1 . . . . 1102 THR HA . 16441 1 570 . 1 1 56 56 THR HB H 1 3.872 0.030 . 1 . . . . 1102 THR HB . 16441 1 571 . 1 1 56 56 THR HG21 H 1 1.030 0.030 . 1 . . . . 1102 THR HG2 . 16441 1 572 . 1 1 56 56 THR HG22 H 1 1.030 0.030 . 1 . . . . 1102 THR HG2 . 16441 1 573 . 1 1 56 56 THR HG23 H 1 1.030 0.030 . 1 . . . . 1102 THR HG2 . 16441 1 574 . 1 1 56 56 THR C C 13 171.948 0.400 . 1 . . . . 1102 THR C . 16441 1 575 . 1 1 56 56 THR CA C 13 60.025 0.400 . 1 . . . . 1102 THR CA . 16441 1 576 . 1 1 56 56 THR CB C 13 70.718 0.400 . 1 . . . . 1102 THR CB . 16441 1 577 . 1 1 56 56 THR CG2 C 13 20.551 0.400 . 1 . . . . 1102 THR CG2 . 16441 1 578 . 1 1 56 56 THR N N 15 111.043 0.400 . 1 . . . . 1102 THR N . 16441 1 579 . 1 1 57 57 GLU H H 1 8.411 0.030 . 1 . . . . 1103 GLU H . 16441 1 580 . 1 1 57 57 GLU HA H 1 4.386 0.030 . 1 . . . . 1103 GLU HA . 16441 1 581 . 1 1 57 57 GLU HB2 H 1 1.905 0.030 . 2 . . . . 1103 GLU HB2 . 16441 1 582 . 1 1 57 57 GLU HB3 H 1 1.905 0.030 . 2 . . . . 1103 GLU HB3 . 16441 1 583 . 1 1 57 57 GLU HG2 H 1 2.231 0.030 . 2 . . . . 1103 GLU HG2 . 16441 1 584 . 1 1 57 57 GLU HG3 H 1 2.314 0.030 . 2 . . . . 1103 GLU HG3 . 16441 1 585 . 1 1 57 57 GLU C C 13 176.493 0.400 . 1 . . . . 1103 GLU C . 16441 1 586 . 1 1 57 57 GLU CA C 13 56.115 0.400 . 1 . . . . 1103 GLU CA . 16441 1 587 . 1 1 57 57 GLU CB C 13 30.692 0.400 . 1 . . . . 1103 GLU CB . 16441 1 588 . 1 1 57 57 GLU CG C 13 36.535 0.400 . 1 . . . . 1103 GLU CG . 16441 1 589 . 1 1 57 57 GLU N N 15 123.247 0.400 . 1 . . . . 1103 GLU N . 16441 1 590 . 1 1 58 58 THR H H 1 7.926 0.030 . 1 . . . . 1104 THR H . 16441 1 591 . 1 1 58 58 THR HA H 1 4.432 0.030 . 1 . . . . 1104 THR HA . 16441 1 592 . 1 1 58 58 THR HB H 1 4.027 0.030 . 1 . . . . 1104 THR HB . 16441 1 593 . 1 1 58 58 THR HG21 H 1 1.243 0.030 . 1 . . . . 1104 THR HG2 . 16441 1 594 . 1 1 58 58 THR HG22 H 1 1.243 0.030 . 1 . . . . 1104 THR HG2 . 16441 1 595 . 1 1 58 58 THR HG23 H 1 1.243 0.030 . 1 . . . . 1104 THR HG2 . 16441 1 596 . 1 1 58 58 THR C C 13 173.454 0.400 . 1 . . . . 1104 THR C . 16441 1 597 . 1 1 58 58 THR CA C 13 61.464 0.400 . 1 . . . . 1104 THR CA . 16441 1 598 . 1 1 58 58 THR CB C 13 71.338 0.400 . 1 . . . . 1104 THR CB . 16441 1 599 . 1 1 58 58 THR CG2 C 13 22.126 0.400 . 1 . . . . 1104 THR CG2 . 16441 1 600 . 1 1 58 58 THR N N 15 113.945 0.400 . 1 . . . . 1104 THR N . 16441 1 601 . 1 1 59 59 LEU H H 1 8.622 0.030 . 1 . . . . 1105 LEU H . 16441 1 602 . 1 1 59 59 LEU HA H 1 4.707 0.030 . 1 . . . . 1105 LEU HA . 16441 1 603 . 1 1 59 59 LEU HB2 H 1 1.741 0.030 . 2 . . . . 1105 LEU HB2 . 16441 1 604 . 1 1 59 59 LEU HB3 H 1 1.575 0.030 . 2 . . . . 1105 LEU HB3 . 16441 1 605 . 1 1 59 59 LEU HD11 H 1 0.678 0.030 . 2 . . . . 1105 LEU HD1 . 16441 1 606 . 1 1 59 59 LEU HD12 H 1 0.678 0.030 . 2 . . . . 1105 LEU HD1 . 16441 1 607 . 1 1 59 59 LEU HD13 H 1 0.678 0.030 . 2 . . . . 1105 LEU HD1 . 16441 1 608 . 1 1 59 59 LEU HD21 H 1 0.820 0.030 . 2 . . . . 1105 LEU HD2 . 16441 1 609 . 1 1 59 59 LEU HD22 H 1 0.820 0.030 . 2 . . . . 1105 LEU HD2 . 16441 1 610 . 1 1 59 59 LEU HD23 H 1 0.820 0.030 . 2 . . . . 1105 LEU HD2 . 16441 1 611 . 1 1 59 59 LEU HG H 1 1.327 0.030 . 1 . . . . 1105 LEU HG . 16441 1 612 . 1 1 59 59 LEU C C 13 175.959 0.400 . 1 . . . . 1105 LEU C . 16441 1 613 . 1 1 59 59 LEU CA C 13 53.744 0.400 . 1 . . . . 1105 LEU CA . 16441 1 614 . 1 1 59 59 LEU CB C 13 42.272 0.400 . 1 . . . . 1105 LEU CB . 16441 1 615 . 1 1 59 59 LEU CD1 C 13 24.042 0.400 . 1 . . . . 1105 LEU CD1 . 16441 1 616 . 1 1 59 59 LEU CD2 C 13 26.400 0.400 . 1 . . . . 1105 LEU CD2 . 16441 1 617 . 1 1 59 59 LEU CG C 13 27.302 0.400 . 1 . . . . 1105 LEU CG . 16441 1 618 . 1 1 59 59 LEU N N 15 125.355 0.400 . 1 . . . . 1105 LEU N . 16441 1 619 . 1 1 60 60 GLY H H 1 7.725 0.030 . 1 . . . . 1106 GLY H . 16441 1 620 . 1 1 60 60 GLY HA2 H 1 4.598 0.030 . 2 . . . . 1106 GLY HA2 . 16441 1 621 . 1 1 60 60 GLY HA3 H 1 3.488 0.030 . 2 . . . . 1106 GLY HA3 . 16441 1 622 . 1 1 60 60 GLY C C 13 172.931 0.400 . 1 . . . . 1106 GLY C . 16441 1 623 . 1 1 60 60 GLY CA C 13 45.563 0.400 . 1 . . . . 1106 GLY CA . 16441 1 624 . 1 1 60 60 GLY N N 15 107.489 0.400 . 1 . . . . 1106 GLY N . 16441 1 625 . 1 1 61 61 THR H H 1 8.306 0.030 . 1 . . . . 1107 THR H . 16441 1 626 . 1 1 61 61 THR HA H 1 4.510 0.030 . 1 . . . . 1107 THR HA . 16441 1 627 . 1 1 61 61 THR HB H 1 3.761 0.030 . 1 . . . . 1107 THR HB . 16441 1 628 . 1 1 61 61 THR HG21 H 1 1.117 0.030 . 1 . . . . 1107 THR HG2 . 16441 1 629 . 1 1 61 61 THR HG22 H 1 1.117 0.030 . 1 . . . . 1107 THR HG2 . 16441 1 630 . 1 1 61 61 THR HG23 H 1 1.117 0.030 . 1 . . . . 1107 THR HG2 . 16441 1 631 . 1 1 61 61 THR CA C 13 62.617 0.400 . 1 . . . . 1107 THR CA . 16441 1 632 . 1 1 61 61 THR CB C 13 70.920 0.400 . 1 . . . . 1107 THR CB . 16441 1 633 . 1 1 61 61 THR CG2 C 13 22.309 0.400 . 1 . . . . 1107 THR CG2 . 16441 1 634 . 1 1 61 61 THR N N 15 117.538 0.400 . 1 . . . . 1107 THR N . 16441 1 635 . 1 1 62 62 CYS H H 1 9.018 0.030 . 1 . . . . 1108 CYS H . 16441 1 636 . 1 1 62 62 CYS HA H 1 5.008 0.030 . 1 . . . . 1108 CYS HA . 16441 1 637 . 1 1 62 62 CYS HB2 H 1 2.803 0.030 . 2 . . . . 1108 CYS HB2 . 16441 1 638 . 1 1 62 62 CYS HB3 H 1 2.694 0.030 . 2 . . . . 1108 CYS HB3 . 16441 1 639 . 1 1 62 62 CYS C C 13 173.512 0.400 . 1 . . . . 1108 CYS C . 16441 1 640 . 1 1 62 62 CYS CA C 13 57.485 0.400 . 1 . . . . 1108 CYS CA . 16441 1 641 . 1 1 62 62 CYS CB C 13 28.407 0.400 . 1 . . . . 1108 CYS CB . 16441 1 642 . 1 1 62 62 CYS N N 15 127.959 0.400 . 1 . . . . 1108 CYS N . 16441 1 643 . 1 1 63 63 ILE H H 1 9.408 0.030 . 1 . . . . 1109 ILE H . 16441 1 644 . 1 1 63 63 ILE HA H 1 4.419 0.030 . 1 . . . . 1109 ILE HA . 16441 1 645 . 1 1 63 63 ILE HB H 1 1.655 0.030 . 1 . . . . 1109 ILE HB . 16441 1 646 . 1 1 63 63 ILE HD11 H 1 0.737 0.030 . 1 . . . . 1109 ILE HD1 . 16441 1 647 . 1 1 63 63 ILE HD12 H 1 0.737 0.030 . 1 . . . . 1109 ILE HD1 . 16441 1 648 . 1 1 63 63 ILE HD13 H 1 0.737 0.030 . 1 . . . . 1109 ILE HD1 . 16441 1 649 . 1 1 63 63 ILE HG12 H 1 1.298 0.030 . 2 . . . . 1109 ILE HG12 . 16441 1 650 . 1 1 63 63 ILE HG13 H 1 0.963 0.030 . 2 . . . . 1109 ILE HG13 . 16441 1 651 . 1 1 63 63 ILE HG21 H 1 0.907 0.030 . 1 . . . . 1109 ILE HG2 . 16441 1 652 . 1 1 63 63 ILE HG22 H 1 0.907 0.030 . 1 . . . . 1109 ILE HG2 . 16441 1 653 . 1 1 63 63 ILE HG23 H 1 0.907 0.030 . 1 . . . . 1109 ILE HG2 . 16441 1 654 . 1 1 63 63 ILE C C 13 174.329 0.400 . 1 . . . . 1109 ILE C . 16441 1 655 . 1 1 63 63 ILE CA C 13 60.760 0.400 . 1 . . . . 1109 ILE CA . 16441 1 656 . 1 1 63 63 ILE CB C 13 41.953 0.400 . 1 . . . . 1109 ILE CB . 16441 1 657 . 1 1 63 63 ILE CD1 C 13 14.133 0.400 . 1 . . . . 1109 ILE CD1 . 16441 1 658 . 1 1 63 63 ILE CG1 C 13 27.732 0.400 . 1 . . . . 1109 ILE CG1 . 16441 1 659 . 1 1 63 63 ILE CG2 C 13 18.069 0.400 . 1 . . . . 1109 ILE CG2 . 16441 1 660 . 1 1 63 63 ILE N N 15 128.485 0.400 . 1 . . . . 1109 ILE N . 16441 1 661 . 1 1 64 64 ASP H H 1 8.847 0.030 . 1 . . . . 1110 ASP H . 16441 1 662 . 1 1 64 64 ASP HA H 1 4.332 0.030 . 1 . . . . 1110 ASP HA . 16441 1 663 . 1 1 64 64 ASP HB2 H 1 2.978 0.030 . 2 . . . . 1110 ASP HB2 . 16441 1 664 . 1 1 64 64 ASP HB3 H 1 2.656 0.030 . 2 . . . . 1110 ASP HB3 . 16441 1 665 . 1 1 64 64 ASP C C 13 174.401 0.400 . 1 . . . . 1110 ASP C . 16441 1 666 . 1 1 64 64 ASP CA C 13 54.932 0.400 . 1 . . . . 1110 ASP CA . 16441 1 667 . 1 1 64 64 ASP CB C 13 39.361 0.400 . 1 . . . . 1110 ASP CB . 16441 1 668 . 1 1 64 64 ASP N N 15 121.887 0.400 . 1 . . . . 1110 ASP N . 16441 1 669 . 1 1 65 65 PHE H H 1 8.353 0.030 . 1 . . . . 1111 PHE H . 16441 1 670 . 1 1 65 65 PHE HA H 1 4.557 0.030 . 1 . . . . 1111 PHE HA . 16441 1 671 . 1 1 65 65 PHE HB2 H 1 3.174 0.030 . 2 . . . . 1111 PHE HB2 . 16441 1 672 . 1 1 65 65 PHE HB3 H 1 3.033 0.030 . 2 . . . . 1111 PHE HB3 . 16441 1 673 . 1 1 65 65 PHE HD1 H 1 7.234 0.030 . 1 . . . . 1111 PHE HD1 . 16441 1 674 . 1 1 65 65 PHE HD2 H 1 7.234 0.030 . 1 . . . . 1111 PHE HD2 . 16441 1 675 . 1 1 65 65 PHE HE1 H 1 7.060 0.030 . 1 . . . . 1111 PHE HE1 . 16441 1 676 . 1 1 65 65 PHE HE2 H 1 7.060 0.030 . 1 . . . . 1111 PHE HE2 . 16441 1 677 . 1 1 65 65 PHE CA C 13 59.742 0.400 . 1 . . . . 1111 PHE CA . 16441 1 678 . 1 1 65 65 PHE CB C 13 39.266 0.400 . 1 . . . . 1111 PHE CB . 16441 1 679 . 1 1 65 65 PHE N N 15 119.126 0.400 . 1 . . . . 1111 PHE N . 16441 1 680 . 1 1 66 66 GLN H H 1 8.729 0.030 . 1 . . . . 1112 GLN H . 16441 1 681 . 1 1 66 66 GLN HA H 1 4.489 0.030 . 1 . . . . 1112 GLN HA . 16441 1 682 . 1 1 66 66 GLN HB2 H 1 2.187 0.030 . 2 . . . . 1112 GLN HB2 . 16441 1 683 . 1 1 66 66 GLN HB3 H 1 1.936 0.030 . 2 . . . . 1112 GLN HB3 . 16441 1 684 . 1 1 66 66 GLN HE21 H 1 7.382 0.030 . 2 . . . . 1112 GLN HE21 . 16441 1 685 . 1 1 66 66 GLN HE22 H 1 6.725 0.030 . 2 . . . . 1112 GLN HE22 . 16441 1 686 . 1 1 66 66 GLN HG2 H 1 2.160 0.030 . 2 . . . . 1112 GLN HG2 . 16441 1 687 . 1 1 66 66 GLN HG3 H 1 2.209 0.030 . 2 . . . . 1112 GLN HG3 . 16441 1 688 . 1 1 66 66 GLN C C 13 172.951 0.400 . 1 . . . . 1112 GLN C . 16441 1 689 . 1 1 66 66 GLN CA C 13 54.928 0.400 . 1 . . . . 1112 GLN CA . 16441 1 690 . 1 1 66 66 GLN CB C 13 32.604 0.400 . 1 . . . . 1112 GLN CB . 16441 1 691 . 1 1 66 66 GLN CG C 13 33.876 0.400 . 1 . . . . 1112 GLN CG . 16441 1 692 . 1 1 66 66 GLN N N 15 129.288 0.400 . 1 . . . . 1112 GLN N . 16441 1 693 . 1 1 66 66 GLN NE2 N 15 111.671 0.400 . 1 . . . . 1112 GLN NE2 . 16441 1 694 . 1 1 67 67 VAL H H 1 8.253 0.030 . 1 . . . . 1113 VAL H . 16441 1 695 . 1 1 67 67 VAL HA H 1 4.339 0.030 . 1 . . . . 1113 VAL HA . 16441 1 696 . 1 1 67 67 VAL HB H 1 1.809 0.030 . 1 . . . . 1113 VAL HB . 16441 1 697 . 1 1 67 67 VAL HG11 H 1 0.777 0.030 . 2 . . . . 1113 VAL HG1 . 16441 1 698 . 1 1 67 67 VAL HG12 H 1 0.777 0.030 . 2 . . . . 1113 VAL HG1 . 16441 1 699 . 1 1 67 67 VAL HG13 H 1 0.777 0.030 . 2 . . . . 1113 VAL HG1 . 16441 1 700 . 1 1 67 67 VAL HG21 H 1 0.777 0.030 . 2 . . . . 1113 VAL HG2 . 16441 1 701 . 1 1 67 67 VAL HG22 H 1 0.777 0.030 . 2 . . . . 1113 VAL HG2 . 16441 1 702 . 1 1 67 67 VAL HG23 H 1 0.777 0.030 . 2 . . . . 1113 VAL HG2 . 16441 1 703 . 1 1 67 67 VAL C C 13 175.450 0.400 . 1 . . . . 1113 VAL C . 16441 1 704 . 1 1 67 67 VAL CA C 13 59.937 0.400 . 1 . . . . 1113 VAL CA . 16441 1 705 . 1 1 67 67 VAL CB C 13 33.772 0.400 . 1 . . . . 1113 VAL CB . 16441 1 706 . 1 1 67 67 VAL CG1 C 13 21.415 0.400 . 1 . . . . 1113 VAL CG1 . 16441 1 707 . 1 1 67 67 VAL N N 15 121.605 0.400 . 1 . . . . 1113 VAL N . 16441 1 708 . 1 1 68 68 VAL H H 1 8.482 0.030 . 1 . . . . 1114 VAL H . 16441 1 709 . 1 1 68 68 VAL HA H 1 3.897 0.030 . 1 . . . . 1114 VAL HA . 16441 1 710 . 1 1 68 68 VAL HB H 1 2.107 0.030 . 1 . . . . 1114 VAL HB . 16441 1 711 . 1 1 68 68 VAL HG11 H 1 0.579 0.030 . 2 . . . . 1114 VAL HG1 . 16441 1 712 . 1 1 68 68 VAL HG12 H 1 0.579 0.030 . 2 . . . . 1114 VAL HG1 . 16441 1 713 . 1 1 68 68 VAL HG13 H 1 0.579 0.030 . 2 . . . . 1114 VAL HG1 . 16441 1 714 . 1 1 68 68 VAL HG21 H 1 0.579 0.030 . 2 . . . . 1114 VAL HG2 . 16441 1 715 . 1 1 68 68 VAL HG22 H 1 0.579 0.030 . 2 . . . . 1114 VAL HG2 . 16441 1 716 . 1 1 68 68 VAL HG23 H 1 0.579 0.030 . 2 . . . . 1114 VAL HG2 . 16441 1 717 . 1 1 68 68 VAL C C 13 174.182 0.400 . 1 . . . . 1114 VAL C . 16441 1 718 . 1 1 68 68 VAL CA C 13 61.032 0.400 . 1 . . . . 1114 VAL CA . 16441 1 719 . 1 1 68 68 VAL CB C 13 33.806 0.400 . 1 . . . . 1114 VAL CB . 16441 1 720 . 1 1 68 68 VAL CG1 C 13 21.613 0.400 . 1 . . . . 1114 VAL CG1 . 16441 1 721 . 1 1 68 68 VAL N N 15 129.378 0.400 . 1 . . . . 1114 VAL N . 16441 1 722 . 1 1 69 69 PRO HA H 1 4.265 0.030 . 1 . . . . 1115 PRO HA . 16441 1 723 . 1 1 69 69 PRO HB2 H 1 1.898 0.030 . 2 . . . . 1115 PRO HB2 . 16441 1 724 . 1 1 69 69 PRO HB3 H 1 2.410 0.030 . 2 . . . . 1115 PRO HB3 . 16441 1 725 . 1 1 69 69 PRO HD2 H 1 3.922 0.030 . 2 . . . . 1115 PRO HD2 . 16441 1 726 . 1 1 69 69 PRO HD3 H 1 3.696 0.030 . 2 . . . . 1115 PRO HD3 . 16441 1 727 . 1 1 69 69 PRO HG2 H 1 2.115 0.030 . 2 . . . . 1115 PRO HG2 . 16441 1 728 . 1 1 69 69 PRO HG3 H 1 1.935 0.030 . 2 . . . . 1115 PRO HG3 . 16441 1 729 . 1 1 69 69 PRO CA C 13 64.245 0.400 . 1 . . . . 1115 PRO CA . 16441 1 730 . 1 1 69 69 PRO CB C 13 32.456 0.400 . 1 . . . . 1115 PRO CB . 16441 1 731 . 1 1 69 69 PRO CD C 13 52.574 0.400 . 1 . . . . 1115 PRO CD . 16441 1 732 . 1 1 69 69 PRO CG C 13 27.931 0.400 . 1 . . . . 1115 PRO CG . 16441 1 733 . 1 1 70 70 GLY H H 1 9.456 0.030 . 1 . . . . 1116 GLY H . 16441 1 734 . 1 1 70 70 GLY HA2 H 1 4.307 0.030 . 2 . . . . 1116 GLY HA2 . 16441 1 735 . 1 1 70 70 GLY HA3 H 1 3.916 0.030 . 2 . . . . 1116 GLY HA3 . 16441 1 736 . 1 1 70 70 GLY C C 13 174.197 0.400 . 1 . . . . 1116 GLY C . 16441 1 737 . 1 1 70 70 GLY CA C 13 46.006 0.400 . 1 . . . . 1116 GLY CA . 16441 1 738 . 1 1 70 70 GLY N N 15 113.090 0.400 . 1 . . . . 1116 GLY N . 16441 1 739 . 1 1 71 71 CYS H H 1 7.680 0.030 . 1 . . . . 1117 CYS H . 16441 1 740 . 1 1 71 71 CYS HA H 1 4.876 0.030 . 1 . . . . 1117 CYS HA . 16441 1 741 . 1 1 71 71 CYS HB2 H 1 2.284 0.030 . 2 . . . . 1117 CYS HB2 . 16441 1 742 . 1 1 71 71 CYS HB3 H 1 2.384 0.030 . 2 . . . . 1117 CYS HB3 . 16441 1 743 . 1 1 71 71 CYS C C 13 171.425 0.400 . 1 . . . . 1117 CYS C . 16441 1 744 . 1 1 71 71 CYS CA C 13 61.001 0.400 . 1 . . . . 1117 CYS CA . 16441 1 745 . 1 1 71 71 CYS CB C 13 35.266 0.400 . 1 . . . . 1117 CYS CB . 16441 1 746 . 1 1 71 71 CYS N N 15 117.515 0.400 . 1 . . . . 1117 CYS N . 16441 1 747 . 1 1 72 72 GLY H H 1 7.026 0.030 . 1 . . . . 1118 GLY H . 16441 1 748 . 1 1 72 72 GLY HA2 H 1 3.970 0.030 . 2 . . . . 1118 GLY HA2 . 16441 1 749 . 1 1 72 72 GLY HA3 H 1 3.834 0.030 . 2 . . . . 1118 GLY HA3 . 16441 1 750 . 1 1 72 72 GLY C C 13 170.234 0.400 . 1 . . . . 1118 GLY C . 16441 1 751 . 1 1 72 72 GLY CA C 13 43.958 0.400 . 1 . . . . 1118 GLY CA . 16441 1 752 . 1 1 72 72 GLY N N 15 102.934 0.400 . 1 . . . . 1118 GLY N . 16441 1 753 . 1 1 73 73 ILE H H 1 8.413 0.030 . 1 . . . . 1119 ILE H . 16441 1 754 . 1 1 73 73 ILE HA H 1 5.103 0.030 . 1 . . . . 1119 ILE HA . 16441 1 755 . 1 1 73 73 ILE HB H 1 1.481 0.030 . 1 . . . . 1119 ILE HB . 16441 1 756 . 1 1 73 73 ILE HD11 H 1 0.740 0.030 . 1 . . . . 1119 ILE HD1 . 16441 1 757 . 1 1 73 73 ILE HD12 H 1 0.740 0.030 . 1 . . . . 1119 ILE HD1 . 16441 1 758 . 1 1 73 73 ILE HD13 H 1 0.740 0.030 . 1 . . . . 1119 ILE HD1 . 16441 1 759 . 1 1 73 73 ILE HG12 H 1 0.786 0.030 . 2 . . . . 1119 ILE HG12 . 16441 1 760 . 1 1 73 73 ILE HG13 H 1 0.786 0.030 . 2 . . . . 1119 ILE HG13 . 16441 1 761 . 1 1 73 73 ILE HG21 H 1 0.520 0.030 . 1 . . . . 1119 ILE HG2 . 16441 1 762 . 1 1 73 73 ILE HG22 H 1 0.520 0.030 . 1 . . . . 1119 ILE HG2 . 16441 1 763 . 1 1 73 73 ILE HG23 H 1 0.520 0.030 . 1 . . . . 1119 ILE HG2 . 16441 1 764 . 1 1 73 73 ILE CA C 13 58.313 0.400 . 1 . . . . 1119 ILE CA . 16441 1 765 . 1 1 73 73 ILE CB C 13 43.113 0.400 . 1 . . . . 1119 ILE CB . 16441 1 766 . 1 1 73 73 ILE CD1 C 13 15.269 0.400 . 1 . . . . 1119 ILE CD1 . 16441 1 767 . 1 1 73 73 ILE CG1 C 13 27.310 0.400 . 1 . . . . 1119 ILE CG1 . 16441 1 768 . 1 1 73 73 ILE CG2 C 13 21.130 0.400 . 1 . . . . 1119 ILE CG2 . 16441 1 769 . 1 1 73 73 ILE N N 15 116.903 0.400 . 1 . . . . 1119 ILE N . 16441 1 770 . 1 1 74 74 SER H H 1 8.762 0.030 . 1 . . . . 1120 SER H . 16441 1 771 . 1 1 74 74 SER HA H 1 5.577 0.030 . 1 . . . . 1120 SER HA . 16441 1 772 . 1 1 74 74 SER HB2 H 1 4.120 0.030 . 2 . . . . 1120 SER HB2 . 16441 1 773 . 1 1 74 74 SER HB3 H 1 3.873 0.030 . 2 . . . . 1120 SER HB3 . 16441 1 774 . 1 1 74 74 SER CA C 13 56.613 0.400 . 1 . . . . 1120 SER CA . 16441 1 775 . 1 1 74 74 SER CB C 13 67.546 0.400 . 1 . . . . 1120 SER CB . 16441 1 776 . 1 1 74 74 SER N N 15 118.449 0.400 . 1 . . . . 1120 SER N . 16441 1 777 . 1 1 75 75 CYS H H 1 8.781 0.030 . 1 . . . . 1121 CYS H . 16441 1 778 . 1 1 75 75 CYS HA H 1 5.011 0.030 . 1 . . . . 1121 CYS HA . 16441 1 779 . 1 1 75 75 CYS HB2 H 1 3.638 0.030 . 2 . . . . 1121 CYS HB2 . 16441 1 780 . 1 1 75 75 CYS HB3 H 1 3.247 0.030 . 2 . . . . 1121 CYS HB3 . 16441 1 781 . 1 1 75 75 CYS C C 13 172.713 0.400 . 1 . . . . 1121 CYS C . 16441 1 782 . 1 1 75 75 CYS CA C 13 57.711 0.400 . 1 . . . . 1121 CYS CA . 16441 1 783 . 1 1 75 75 CYS CB C 13 30.829 0.400 . 1 . . . . 1121 CYS CB . 16441 1 784 . 1 1 75 75 CYS N N 15 114.283 0.400 . 1 . . . . 1121 CYS N . 16441 1 785 . 1 1 76 76 LYS H H 1 9.090 0.030 . 1 . . . . 1122 LYS H . 16441 1 786 . 1 1 76 76 LYS HA H 1 5.752 0.030 . 1 . . . . 1122 LYS HA . 16441 1 787 . 1 1 76 76 LYS HB2 H 1 1.595 0.030 . 2 . . . . 1122 LYS HB2 . 16441 1 788 . 1 1 76 76 LYS HB3 H 1 1.554 0.030 . 2 . . . . 1122 LYS HB3 . 16441 1 789 . 1 1 76 76 LYS HD2 H 1 1.709 0.030 . 2 . . . . 1122 LYS HD2 . 16441 1 790 . 1 1 76 76 LYS HD3 H 1 1.593 0.030 . 2 . . . . 1122 LYS HD3 . 16441 1 791 . 1 1 76 76 LYS HE2 H 1 2.945 0.030 . 2 . . . . 1122 LYS HE2 . 16441 1 792 . 1 1 76 76 LYS HE3 H 1 2.882 0.030 . 2 . . . . 1122 LYS HE3 . 16441 1 793 . 1 1 76 76 LYS HG2 H 1 1.589 0.030 . 2 . . . . 1122 LYS HG2 . 16441 1 794 . 1 1 76 76 LYS HG3 H 1 1.401 0.030 . 2 . . . . 1122 LYS HG3 . 16441 1 795 . 1 1 76 76 LYS C C 13 175.710 0.400 . 1 . . . . 1122 LYS C . 16441 1 796 . 1 1 76 76 LYS CA C 13 55.599 0.400 . 1 . . . . 1122 LYS CA . 16441 1 797 . 1 1 76 76 LYS CB C 13 34.613 0.400 . 1 . . . . 1122 LYS CB . 16441 1 798 . 1 1 76 76 LYS CD C 13 30.177 0.400 . 1 . . . . 1122 LYS CD . 16441 1 799 . 1 1 76 76 LYS CE C 13 42.290 0.400 . 1 . . . . 1122 LYS CE . 16441 1 800 . 1 1 76 76 LYS CG C 13 25.975 0.400 . 1 . . . . 1122 LYS CG . 16441 1 801 . 1 1 76 76 LYS N N 15 118.217 0.400 . 1 . . . . 1122 LYS N . 16441 1 802 . 1 1 77 77 VAL H H 1 9.145 0.030 . 1 . . . . 1123 VAL H . 16441 1 803 . 1 1 77 77 VAL HA H 1 5.453 0.030 . 1 . . . . 1123 VAL HA . 16441 1 804 . 1 1 77 77 VAL HB H 1 2.054 0.030 . 1 . . . . 1123 VAL HB . 16441 1 805 . 1 1 77 77 VAL HG11 H 1 1.044 0.030 . 2 . . . . 1123 VAL HG1 . 16441 1 806 . 1 1 77 77 VAL HG12 H 1 1.044 0.030 . 2 . . . . 1123 VAL HG1 . 16441 1 807 . 1 1 77 77 VAL HG13 H 1 1.044 0.030 . 2 . . . . 1123 VAL HG1 . 16441 1 808 . 1 1 77 77 VAL HG21 H 1 1.044 0.030 . 2 . . . . 1123 VAL HG2 . 16441 1 809 . 1 1 77 77 VAL HG22 H 1 1.044 0.030 . 2 . . . . 1123 VAL HG2 . 16441 1 810 . 1 1 77 77 VAL HG23 H 1 1.044 0.030 . 2 . . . . 1123 VAL HG2 . 16441 1 811 . 1 1 77 77 VAL C C 13 174.581 0.400 . 1 . . . . 1123 VAL C . 16441 1 812 . 1 1 77 77 VAL CA C 13 59.934 0.400 . 1 . . . . 1123 VAL CA . 16441 1 813 . 1 1 77 77 VAL CB C 13 36.365 0.400 . 1 . . . . 1123 VAL CB . 16441 1 814 . 1 1 77 77 VAL CG1 C 13 22.837 0.400 . 1 . . . . 1123 VAL CG1 . 16441 1 815 . 1 1 77 77 VAL N N 15 116.705 0.400 . 1 . . . . 1123 VAL N . 16441 1 816 . 1 1 78 78 THR H H 1 8.890 0.030 . 1 . . . . 1124 THR H . 16441 1 817 . 1 1 78 78 THR HA H 1 5.080 0.030 . 1 . . . . 1124 THR HA . 16441 1 818 . 1 1 78 78 THR HB H 1 4.136 0.030 . 1 . . . . 1124 THR HB . 16441 1 819 . 1 1 78 78 THR HG21 H 1 1.087 0.030 . 1 . . . . 1124 THR HG2 . 16441 1 820 . 1 1 78 78 THR HG22 H 1 1.087 0.030 . 1 . . . . 1124 THR HG2 . 16441 1 821 . 1 1 78 78 THR HG23 H 1 1.087 0.030 . 1 . . . . 1124 THR HG2 . 16441 1 822 . 1 1 78 78 THR C C 13 172.704 0.400 . 1 . . . . 1124 THR C . 16441 1 823 . 1 1 78 78 THR CA C 13 60.010 0.400 . 1 . . . . 1124 THR CA . 16441 1 824 . 1 1 78 78 THR CB C 13 70.908 0.400 . 1 . . . . 1124 THR CB . 16441 1 825 . 1 1 78 78 THR CG2 C 13 18.909 0.400 . 1 . . . . 1124 THR CG2 . 16441 1 826 . 1 1 78 78 THR N N 15 117.398 0.400 . 1 . . . . 1124 THR N . 16441 1 827 . 1 1 79 79 ASN H H 1 8.780 0.030 . 1 . . . . 1125 ASN H . 16441 1 828 . 1 1 79 79 ASN HA H 1 4.823 0.030 . 1 . . . . 1125 ASN HA . 16441 1 829 . 1 1 79 79 ASN HB2 H 1 3.287 0.030 . 2 . . . . 1125 ASN HB2 . 16441 1 830 . 1 1 79 79 ASN HB3 H 1 2.833 0.030 . 2 . . . . 1125 ASN HB3 . 16441 1 831 . 1 1 79 79 ASN HD21 H 1 6.854 0.030 . 2 . . . . 1125 ASN HD21 . 16441 1 832 . 1 1 79 79 ASN HD22 H 1 7.456 0.030 . 2 . . . . 1125 ASN HD22 . 16441 1 833 . 1 1 79 79 ASN C C 13 175.080 0.400 . 1 . . . . 1125 ASN C . 16441 1 834 . 1 1 79 79 ASN CA C 13 55.291 0.400 . 1 . . . . 1125 ASN CA . 16441 1 835 . 1 1 79 79 ASN CB C 13 38.188 0.400 . 1 . . . . 1125 ASN CB . 16441 1 836 . 1 1 79 79 ASN N N 15 119.650 0.400 . 1 . . . . 1125 ASN N . 16441 1 837 . 1 1 79 79 ASN ND2 N 15 111.704 0.400 . 1 . . . . 1125 ASN ND2 . 16441 1 838 . 1 1 80 80 ILE H H 1 8.521 0.030 . 1 . . . . 1126 ILE H . 16441 1 839 . 1 1 80 80 ILE HA H 1 4.378 0.030 . 1 . . . . 1126 ILE HA . 16441 1 840 . 1 1 80 80 ILE HB H 1 2.152 0.030 . 1 . . . . 1126 ILE HB . 16441 1 841 . 1 1 80 80 ILE HD11 H 1 0.567 0.030 . 1 . . . . 1126 ILE HD1 . 16441 1 842 . 1 1 80 80 ILE HD12 H 1 0.567 0.030 . 1 . . . . 1126 ILE HD1 . 16441 1 843 . 1 1 80 80 ILE HD13 H 1 0.567 0.030 . 1 . . . . 1126 ILE HD1 . 16441 1 844 . 1 1 80 80 ILE HG12 H 1 1.305 0.030 . 2 . . . . 1126 ILE HG12 . 16441 1 845 . 1 1 80 80 ILE HG13 H 1 1.199 0.030 . 2 . . . . 1126 ILE HG13 . 16441 1 846 . 1 1 80 80 ILE HG21 H 1 0.679 0.030 . 1 . . . . 1126 ILE HG2 . 16441 1 847 . 1 1 80 80 ILE HG22 H 1 0.679 0.030 . 1 . . . . 1126 ILE HG2 . 16441 1 848 . 1 1 80 80 ILE HG23 H 1 0.679 0.030 . 1 . . . . 1126 ILE HG2 . 16441 1 849 . 1 1 80 80 ILE C C 13 177.459 0.400 . 1 . . . . 1126 ILE C . 16441 1 850 . 1 1 80 80 ILE CA C 13 60.542 0.400 . 1 . . . . 1126 ILE CA . 16441 1 851 . 1 1 80 80 ILE CB C 13 39.311 0.400 . 1 . . . . 1126 ILE CB . 16441 1 852 . 1 1 80 80 ILE CD1 C 13 14.520 0.400 . 1 . . . . 1126 ILE CD1 . 16441 1 853 . 1 1 80 80 ILE CG1 C 13 26.985 0.400 . 1 . . . . 1126 ILE CG1 . 16441 1 854 . 1 1 80 80 ILE CG2 C 13 19.503 0.400 . 1 . . . . 1126 ILE CG2 . 16441 1 855 . 1 1 80 80 ILE N N 15 108.484 0.400 . 1 . . . . 1126 ILE N . 16441 1 856 . 1 1 81 81 GLU H H 1 8.265 0.030 . 1 . . . . 1127 GLU H . 16441 1 857 . 1 1 81 81 GLU HA H 1 3.843 0.030 . 1 . . . . 1127 GLU HA . 16441 1 858 . 1 1 81 81 GLU HB2 H 1 2.013 0.030 . 2 . . . . 1127 GLU HB2 . 16441 1 859 . 1 1 81 81 GLU HB3 H 1 2.013 0.030 . 2 . . . . 1127 GLU HB3 . 16441 1 860 . 1 1 81 81 GLU CA C 13 60.429 0.400 . 1 . . . . 1127 GLU CA . 16441 1 861 . 1 1 81 81 GLU CB C 13 29.665 0.400 . 1 . . . . 1127 GLU CB . 16441 1 862 . 1 1 81 81 GLU N N 15 121.123 0.400 . 1 . . . . 1127 GLU N . 16441 1 863 . 1 1 82 82 GLY H H 1 8.661 0.030 . 1 . . . . 1128 GLY H . 16441 1 864 . 1 1 82 82 GLY HA2 H 1 3.843 0.030 . 2 . . . . 1128 GLY HA2 . 16441 1 865 . 1 1 82 82 GLY HA3 H 1 3.773 0.030 . 2 . . . . 1128 GLY HA3 . 16441 1 866 . 1 1 82 82 GLY C C 13 175.464 0.400 . 1 . . . . 1128 GLY C . 16441 1 867 . 1 1 82 82 GLY CA C 13 47.036 0.400 . 1 . . . . 1128 GLY CA . 16441 1 868 . 1 1 82 82 GLY N N 15 105.801 0.400 . 1 . . . . 1128 GLY N . 16441 1 869 . 1 1 83 83 LEU H H 1 7.453 0.030 . 1 . . . . 1129 LEU H . 16441 1 870 . 1 1 83 83 LEU HA H 1 4.366 0.030 . 1 . . . . 1129 LEU HA . 16441 1 871 . 1 1 83 83 LEU HB2 H 1 1.894 0.030 . 2 . . . . 1129 LEU HB2 . 16441 1 872 . 1 1 83 83 LEU HB3 H 1 1.508 0.030 . 2 . . . . 1129 LEU HB3 . 16441 1 873 . 1 1 83 83 LEU HD11 H 1 0.892 0.030 . 2 . . . . 1129 LEU HD1 . 16441 1 874 . 1 1 83 83 LEU HD12 H 1 0.892 0.030 . 2 . . . . 1129 LEU HD1 . 16441 1 875 . 1 1 83 83 LEU HD13 H 1 0.892 0.030 . 2 . . . . 1129 LEU HD1 . 16441 1 876 . 1 1 83 83 LEU HG H 1 1.737 0.030 . 1 . . . . 1129 LEU HG . 16441 1 877 . 1 1 83 83 LEU C C 13 177.535 0.400 . 1 . . . . 1129 LEU C . 16441 1 878 . 1 1 83 83 LEU CA C 13 56.099 0.400 . 1 . . . . 1129 LEU CA . 16441 1 879 . 1 1 83 83 LEU CB C 13 42.357 0.400 . 1 . . . . 1129 LEU CB . 16441 1 880 . 1 1 83 83 LEU CD1 C 13 24.194 0.400 . 1 . . . . 1129 LEU CD1 . 16441 1 881 . 1 1 83 83 LEU CG C 13 27.492 0.400 . 1 . . . . 1129 LEU CG . 16441 1 882 . 1 1 83 83 LEU N N 15 118.561 0.400 . 1 . . . . 1129 LEU N . 16441 1 883 . 1 1 84 84 LEU H H 1 7.292 0.030 . 1 . . . . 1130 LEU H . 16441 1 884 . 1 1 84 84 LEU HA H 1 4.232 0.030 . 1 . . . . 1130 LEU HA . 16441 1 885 . 1 1 84 84 LEU HB2 H 1 1.663 0.030 . 2 . . . . 1130 LEU HB2 . 16441 1 886 . 1 1 84 84 LEU HB3 H 1 1.373 0.030 . 2 . . . . 1130 LEU HB3 . 16441 1 887 . 1 1 84 84 LEU HD11 H 1 0.579 0.030 . 2 . . . . 1130 LEU HD1 . 16441 1 888 . 1 1 84 84 LEU HD12 H 1 0.579 0.030 . 2 . . . . 1130 LEU HD1 . 16441 1 889 . 1 1 84 84 LEU HD13 H 1 0.579 0.030 . 2 . . . . 1130 LEU HD1 . 16441 1 890 . 1 1 84 84 LEU HG H 1 1.738 0.030 . 1 . . . . 1130 LEU HG . 16441 1 891 . 1 1 84 84 LEU C C 13 176.765 0.400 . 1 . . . . 1130 LEU C . 16441 1 892 . 1 1 84 84 LEU CA C 13 55.410 0.400 . 1 . . . . 1130 LEU CA . 16441 1 893 . 1 1 84 84 LEU CB C 13 42.112 0.400 . 1 . . . . 1130 LEU CB . 16441 1 894 . 1 1 84 84 LEU CD1 C 13 22.723 0.400 . 1 . . . . 1130 LEU CD1 . 16441 1 895 . 1 1 84 84 LEU CG C 13 26.614 0.400 . 1 . . . . 1130 LEU CG . 16441 1 896 . 1 1 84 84 LEU N N 15 115.987 0.400 . 1 . . . . 1130 LEU N . 16441 1 897 . 1 1 85 85 HIS H H 1 7.727 0.030 . 1 . . . . 1131 HIS H . 16441 1 898 . 1 1 85 85 HIS HA H 1 4.660 0.030 . 1 . . . . 1131 HIS HA . 16441 1 899 . 1 1 85 85 HIS HB2 H 1 3.205 0.030 . 2 . . . . 1131 HIS HB2 . 16441 1 900 . 1 1 85 85 HIS HB3 H 1 3.026 0.030 . 2 . . . . 1131 HIS HB3 . 16441 1 901 . 1 1 85 85 HIS C C 13 174.831 0.400 . 1 . . . . 1131 HIS C . 16441 1 902 . 1 1 85 85 HIS CA C 13 55.089 0.400 . 1 . . . . 1131 HIS CA . 16441 1 903 . 1 1 85 85 HIS CB C 13 30.251 0.400 . 1 . . . . 1131 HIS CB . 16441 1 904 . 1 1 85 85 HIS N N 15 117.521 0.400 . 1 . . . . 1131 HIS N . 16441 1 905 . 1 1 86 86 LYS H H 1 8.071 0.030 . 1 . . . . 1132 LYS H . 16441 1 906 . 1 1 86 86 LYS HA H 1 4.222 0.030 . 1 . . . . 1132 LYS HA . 16441 1 907 . 1 1 86 86 LYS HB2 H 1 1.747 0.030 . 2 . . . . 1132 LYS HB2 . 16441 1 908 . 1 1 86 86 LYS HB3 H 1 1.650 0.030 . 2 . . . . 1132 LYS HB3 . 16441 1 909 . 1 1 86 86 LYS HD2 H 1 1.625 0.030 . 2 . . . . 1132 LYS HD2 . 16441 1 910 . 1 1 86 86 LYS HD3 H 1 1.625 0.030 . 2 . . . . 1132 LYS HD3 . 16441 1 911 . 1 1 86 86 LYS HE2 H 1 2.973 0.030 . 2 . . . . 1132 LYS HE2 . 16441 1 912 . 1 1 86 86 LYS HE3 H 1 2.973 0.030 . 2 . . . . 1132 LYS HE3 . 16441 1 913 . 1 1 86 86 LYS HG2 H 1 1.309 0.030 . 2 . . . . 1132 LYS HG2 . 16441 1 914 . 1 1 86 86 LYS HG3 H 1 1.309 0.030 . 2 . . . . 1132 LYS HG3 . 16441 1 915 . 1 1 86 86 LYS C C 13 177.280 0.400 . 1 . . . . 1132 LYS C . 16441 1 916 . 1 1 86 86 LYS CA C 13 57.717 0.400 . 1 . . . . 1132 LYS CA . 16441 1 917 . 1 1 86 86 LYS CB C 13 33.163 0.400 . 1 . . . . 1132 LYS CB . 16441 1 918 . 1 1 86 86 LYS CD C 13 29.435 0.400 . 1 . . . . 1132 LYS CD . 16441 1 919 . 1 1 86 86 LYS CE C 13 42.438 0.400 . 1 . . . . 1132 LYS CE . 16441 1 920 . 1 1 86 86 LYS CG C 13 25.041 0.400 . 1 . . . . 1132 LYS CG . 16441 1 921 . 1 1 86 86 LYS N N 15 121.035 0.400 . 1 . . . . 1132 LYS N . 16441 1 922 . 1 1 88 88 ASN H H 1 8.227 0.030 . 1 . . . . 1134 ASN H . 16441 1 923 . 1 1 88 88 ASN HA H 1 4.506 0.030 . 1 . . . . 1134 ASN HA . 16441 1 924 . 1 1 88 88 ASN HB2 H 1 2.535 0.030 . 2 . . . . 1134 ASN HB2 . 16441 1 925 . 1 1 88 88 ASN HB3 H 1 2.390 0.030 . 2 . . . . 1134 ASN HB3 . 16441 1 926 . 1 1 88 88 ASN HD21 H 1 7.236 0.030 . 2 . . . . 1134 ASN HD21 . 16441 1 927 . 1 1 88 88 ASN HD22 H 1 6.877 0.030 . 2 . . . . 1134 ASN HD22 . 16441 1 928 . 1 1 88 88 ASN C C 13 174.957 0.400 . 1 . . . . 1134 ASN C . 16441 1 929 . 1 1 88 88 ASN CA C 13 53.599 0.400 . 1 . . . . 1134 ASN CA . 16441 1 930 . 1 1 88 88 ASN CB C 13 38.775 0.400 . 1 . . . . 1134 ASN CB . 16441 1 931 . 1 1 88 88 ASN N N 15 117.776 0.400 . 1 . . . . 1134 ASN N . 16441 1 932 . 1 1 88 88 ASN ND2 N 15 113.145 0.400 . 1 . . . . 1134 ASN ND2 . 16441 1 933 . 1 1 89 89 TRP H H 1 7.993 0.030 . 1 . . . . 1135 TRP H . 16441 1 934 . 1 1 89 89 TRP HA H 1 4.668 0.030 . 1 . . . . 1135 TRP HA . 16441 1 935 . 1 1 89 89 TRP HB2 H 1 3.243 0.030 . 2 . . . . 1135 TRP HB2 . 16441 1 936 . 1 1 89 89 TRP HB3 H 1 3.243 0.030 . 2 . . . . 1135 TRP HB3 . 16441 1 937 . 1 1 89 89 TRP HD1 H 1 7.163 0.030 . 1 . . . . 1135 TRP HD1 . 16441 1 938 . 1 1 89 89 TRP HE1 H 1 10.095 0.030 . 1 . . . . 1135 TRP HE1 . 16441 1 939 . 1 1 89 89 TRP HE3 H 1 7.090 0.030 . 1 . . . . 1135 TRP HE3 . 16441 1 940 . 1 1 89 89 TRP HH2 H 1 7.536 0.030 . 1 . . . . 1135 TRP HH2 . 16441 1 941 . 1 1 89 89 TRP HZ2 H 1 7.423 0.030 . 1 . . . . 1135 TRP HZ2 . 16441 1 942 . 1 1 89 89 TRP HZ3 H 1 7.165 0.030 . 1 . . . . 1135 TRP HZ3 . 16441 1 943 . 1 1 89 89 TRP C C 13 175.834 0.400 . 1 . . . . 1135 TRP C . 16441 1 944 . 1 1 89 89 TRP CA C 13 57.735 0.400 . 1 . . . . 1135 TRP CA . 16441 1 945 . 1 1 89 89 TRP CB C 13 29.928 0.400 . 1 . . . . 1135 TRP CB . 16441 1 946 . 1 1 89 89 TRP N N 15 120.675 0.400 . 1 . . . . 1135 TRP N . 16441 1 947 . 1 1 90 90 ASN H H 1 8.280 0.030 . 1 . . . . 1136 ASN H . 16441 1 948 . 1 1 90 90 ASN HA H 1 4.643 0.030 . 1 . . . . 1136 ASN HA . 16441 1 949 . 1 1 90 90 ASN HB2 H 1 2.688 0.030 . 2 . . . . 1136 ASN HB2 . 16441 1 950 . 1 1 90 90 ASN HB3 H 1 2.573 0.030 . 2 . . . . 1136 ASN HB3 . 16441 1 951 . 1 1 90 90 ASN HD21 H 1 7.506 0.030 . 2 . . . . 1136 ASN HD21 . 16441 1 952 . 1 1 90 90 ASN HD22 H 1 6.830 0.030 . 2 . . . . 1136 ASN HD22 . 16441 1 953 . 1 1 90 90 ASN C C 13 174.958 0.400 . 1 . . . . 1136 ASN C . 16441 1 954 . 1 1 90 90 ASN CA C 13 53.650 0.400 . 1 . . . . 1136 ASN CA . 16441 1 955 . 1 1 90 90 ASN CB C 13 39.057 0.400 . 1 . . . . 1136 ASN CB . 16441 1 956 . 1 1 90 90 ASN N N 15 120.166 0.400 . 1 . . . . 1136 ASN N . 16441 1 957 . 1 1 90 90 ASN ND2 N 15 112.462 0.400 . 1 . . . . 1136 ASN ND2 . 16441 1 958 . 1 1 91 91 ILE H H 1 7.942 0.030 . 1 . . . . 1137 ILE H . 16441 1 959 . 1 1 91 91 ILE HA H 1 4.088 0.030 . 1 . . . . 1137 ILE HA . 16441 1 960 . 1 1 91 91 ILE HB H 1 1.905 0.030 . 1 . . . . 1137 ILE HB . 16441 1 961 . 1 1 91 91 ILE HD11 H 1 0.855 0.030 . 1 . . . . 1137 ILE HD1 . 16441 1 962 . 1 1 91 91 ILE HD12 H 1 0.855 0.030 . 1 . . . . 1137 ILE HD1 . 16441 1 963 . 1 1 91 91 ILE HD13 H 1 0.855 0.030 . 1 . . . . 1137 ILE HD1 . 16441 1 964 . 1 1 91 91 ILE HG12 H 1 1.484 0.030 . 2 . . . . 1137 ILE HG12 . 16441 1 965 . 1 1 91 91 ILE HG13 H 1 1.175 0.030 . 2 . . . . 1137 ILE HG13 . 16441 1 966 . 1 1 91 91 ILE HG21 H 1 0.889 0.030 . 1 . . . . 1137 ILE HG2 . 16441 1 967 . 1 1 91 91 ILE HG22 H 1 0.889 0.030 . 1 . . . . 1137 ILE HG2 . 16441 1 968 . 1 1 91 91 ILE HG23 H 1 0.889 0.030 . 1 . . . . 1137 ILE HG2 . 16441 1 969 . 1 1 91 91 ILE C C 13 176.332 0.400 . 1 . . . . 1137 ILE C . 16441 1 970 . 1 1 91 91 ILE CA C 13 62.047 0.400 . 1 . . . . 1137 ILE CA . 16441 1 971 . 1 1 91 91 ILE CB C 13 38.680 0.400 . 1 . . . . 1137 ILE CB . 16441 1 972 . 1 1 91 91 ILE CD1 C 13 13.415 0.400 . 1 . . . . 1137 ILE CD1 . 16441 1 973 . 1 1 91 91 ILE CG1 C 13 28.151 0.400 . 1 . . . . 1137 ILE CG1 . 16441 1 974 . 1 1 91 91 ILE CG2 C 13 18.004 0.400 . 1 . . . . 1137 ILE CG2 . 16441 1 975 . 1 1 91 91 ILE N N 15 120.752 0.400 . 1 . . . . 1137 ILE N . 16441 1 976 . 1 1 92 92 GLU H H 1 8.396 0.030 . 1 . . . . 1138 GLU H . 16441 1 977 . 1 1 92 92 GLU HA H 1 4.257 0.030 . 1 . . . . 1138 GLU HA . 16441 1 978 . 1 1 92 92 GLU HB2 H 1 2.119 0.030 . 2 . . . . 1138 GLU HB2 . 16441 1 979 . 1 1 92 92 GLU HB3 H 1 2.062 0.030 . 2 . . . . 1138 GLU HB3 . 16441 1 980 . 1 1 92 92 GLU HG2 H 1 2.299 0.030 . 2 . . . . 1138 GLU HG2 . 16441 1 981 . 1 1 92 92 GLU HG3 H 1 2.231 0.030 . 2 . . . . 1138 GLU HG3 . 16441 1 982 . 1 1 92 92 GLU C C 13 176.333 0.400 . 1 . . . . 1138 GLU C . 16441 1 983 . 1 1 92 92 GLU CA C 13 57.399 0.400 . 1 . . . . 1138 GLU CA . 16441 1 984 . 1 1 92 92 GLU CB C 13 29.599 0.400 . 1 . . . . 1138 GLU CB . 16441 1 985 . 1 1 92 92 GLU CG C 13 36.218 0.400 . 1 . . . . 1138 GLU CG . 16441 1 986 . 1 1 92 92 GLU N N 15 123.761 0.400 . 1 . . . . 1138 GLU N . 16441 1 987 . 1 1 93 93 ASP H H 1 8.206 0.030 . 1 . . . . 1139 ASP H . 16441 1 988 . 1 1 93 93 ASP HA H 1 4.538 0.030 . 1 . . . . 1139 ASP HA . 16441 1 989 . 1 1 93 93 ASP HB2 H 1 2.720 0.030 . 2 . . . . 1139 ASP HB2 . 16441 1 990 . 1 1 93 93 ASP HB3 H 1 2.622 0.030 . 2 . . . . 1139 ASP HB3 . 16441 1 991 . 1 1 93 93 ASP C C 13 176.338 0.400 . 1 . . . . 1139 ASP C . 16441 1 992 . 1 1 93 93 ASP CA C 13 54.939 0.400 . 1 . . . . 1139 ASP CA . 16441 1 993 . 1 1 93 93 ASP CB C 13 41.487 0.400 . 1 . . . . 1139 ASP CB . 16441 1 994 . 1 1 93 93 ASP N N 15 121.132 0.400 . 1 . . . . 1139 ASP N . 16441 1 995 . 1 1 94 94 ASN H H 1 8.339 0.030 . 1 . . . . 1140 ASN H . 16441 1 996 . 1 1 94 94 ASN HA H 1 4.665 0.030 . 1 . . . . 1140 ASN HA . 16441 1 997 . 1 1 94 94 ASN HB2 H 1 2.778 0.030 . 2 . . . . 1140 ASN HB2 . 16441 1 998 . 1 1 94 94 ASN HB3 H 1 2.684 0.030 . 2 . . . . 1140 ASN HB3 . 16441 1 999 . 1 1 94 94 ASN HD21 H 1 6.844 0.030 . 2 . . . . 1140 ASN HD21 . 16441 1 1000 . 1 1 94 94 ASN HD22 H 1 7.737 0.030 . 2 . . . . 1140 ASN HD22 . 16441 1 1001 . 1 1 94 94 ASN C C 13 175.332 0.400 . 1 . . . . 1140 ASN C . 16441 1 1002 . 1 1 94 94 ASN CA C 13 53.470 0.400 . 1 . . . . 1140 ASN CA . 16441 1 1003 . 1 1 94 94 ASN CB C 13 38.858 0.400 . 1 . . . . 1140 ASN CB . 16441 1 1004 . 1 1 94 94 ASN N N 15 119.303 0.400 . 1 . . . . 1140 ASN N . 16441 1 1005 . 1 1 94 94 ASN ND2 N 15 112.241 0.400 . 1 . . . . 1140 ASN ND2 . 16441 1 1006 . 1 1 95 95 ASN H H 1 8.386 0.030 . 1 . . . . 1141 ASN H . 16441 1 1007 . 1 1 95 95 ASN HA H 1 4.608 0.030 . 1 . . . . 1141 ASN HA . 16441 1 1008 . 1 1 95 95 ASN HB2 H 1 2.834 0.030 . 2 . . . . 1141 ASN HB2 . 16441 1 1009 . 1 1 95 95 ASN HB3 H 1 2.772 0.030 . 2 . . . . 1141 ASN HB3 . 16441 1 1010 . 1 1 95 95 ASN HD21 H 1 6.965 0.030 . 2 . . . . 1141 ASN HD21 . 16441 1 1011 . 1 1 95 95 ASN HD22 H 1 7.676 0.030 . 2 . . . . 1141 ASN HD22 . 16441 1 1012 . 1 1 95 95 ASN C C 13 175.629 0.400 . 1 . . . . 1141 ASN C . 16441 1 1013 . 1 1 95 95 ASN CA C 13 53.796 0.400 . 1 . . . . 1141 ASN CA . 16441 1 1014 . 1 1 95 95 ASN CB C 13 38.867 0.400 . 1 . . . . 1141 ASN CB . 16441 1 1015 . 1 1 95 95 ASN N N 15 118.626 0.400 . 1 . . . . 1141 ASN N . 16441 1 1016 . 1 1 95 95 ASN ND2 N 15 113.263 0.400 . 1 . . . . 1141 ASN ND2 . 16441 1 1017 . 1 1 97 97 LYS H H 1 8.253 0.030 . 1 . . . . 1143 LYS H . 16441 1 1018 . 1 1 97 97 LYS HA H 1 4.110 0.030 . 1 . . . . 1143 LYS HA . 16441 1 1019 . 1 1 97 97 LYS HB2 H 1 1.811 0.030 . 2 . . . . 1143 LYS HB2 . 16441 1 1020 . 1 1 97 97 LYS HB3 H 1 1.763 0.030 . 2 . . . . 1143 LYS HB3 . 16441 1 1021 . 1 1 97 97 LYS HD2 H 1 1.649 0.030 . 2 . . . . 1143 LYS HD2 . 16441 1 1022 . 1 1 97 97 LYS HD3 H 1 1.649 0.030 . 2 . . . . 1143 LYS HD3 . 16441 1 1023 . 1 1 97 97 LYS HE2 H 1 2.913 0.030 . 2 . . . . 1143 LYS HE2 . 16441 1 1024 . 1 1 97 97 LYS HE3 H 1 2.913 0.030 . 2 . . . . 1143 LYS HE3 . 16441 1 1025 . 1 1 97 97 LYS HG2 H 1 1.438 0.030 . 2 . . . . 1143 LYS HG2 . 16441 1 1026 . 1 1 97 97 LYS HG3 H 1 1.376 0.030 . 2 . . . . 1143 LYS HG3 . 16441 1 1027 . 1 1 97 97 LYS C C 13 176.586 0.400 . 1 . . . . 1143 LYS C . 16441 1 1028 . 1 1 97 97 LYS CA C 13 57.314 0.400 . 1 . . . . 1143 LYS CA . 16441 1 1029 . 1 1 97 97 LYS CB C 13 33.029 0.400 . 1 . . . . 1143 LYS CB . 16441 1 1030 . 1 1 97 97 LYS CD C 13 28.879 0.400 . 1 . . . . 1143 LYS CD . 16441 1 1031 . 1 1 97 97 LYS CE C 13 42.518 0.400 . 1 . . . . 1143 LYS CE . 16441 1 1032 . 1 1 97 97 LYS CG C 13 25.292 0.400 . 1 . . . . 1143 LYS CG . 16441 1 1033 . 1 1 97 97 LYS N N 15 123.986 0.400 . 1 . . . . 1143 LYS N . 16441 1 1034 . 1 1 98 98 ASN H H 1 8.268 0.030 . 1 . . . . 1144 ASN H . 16441 1 1035 . 1 1 98 98 ASN HA H 1 4.250 0.030 . 1 . . . . 1144 ASN HA . 16441 1 1036 . 1 1 98 98 ASN HB2 H 1 2.756 0.030 . 2 . . . . 1144 ASN HB2 . 16441 1 1037 . 1 1 98 98 ASN HB3 H 1 2.640 0.030 . 2 . . . . 1144 ASN HB3 . 16441 1 1038 . 1 1 98 98 ASN HD21 H 1 6.869 0.030 . 2 . . . . 1144 ASN HD21 . 16441 1 1039 . 1 1 98 98 ASN HD22 H 1 7.622 0.030 . 2 . . . . 1144 ASN HD22 . 16441 1 1040 . 1 1 98 98 ASN C C 13 175.212 0.400 . 1 . . . . 1144 ASN C . 16441 1 1041 . 1 1 98 98 ASN CA C 13 54.441 0.400 . 1 . . . . 1144 ASN CA . 16441 1 1042 . 1 1 98 98 ASN CB C 13 38.307 0.400 . 1 . . . . 1144 ASN CB . 16441 1 1043 . 1 1 98 98 ASN N N 15 118.972 0.400 . 1 . . . . 1144 ASN N . 16441 1 1044 . 1 1 98 98 ASN ND2 N 15 112.889 0.400 . 1 . . . . 1144 ASN ND2 . 16441 1 1045 . 1 1 99 99 ALA H H 1 8.244 0.030 . 1 . . . . 1145 ALA H . 16441 1 1046 . 1 1 99 99 ALA HA H 1 4.223 0.030 . 1 . . . . 1145 ALA HA . 16441 1 1047 . 1 1 99 99 ALA HB1 H 1 1.409 0.030 . 1 . . . . 1145 ALA HB . 16441 1 1048 . 1 1 99 99 ALA HB2 H 1 1.409 0.030 . 1 . . . . 1145 ALA HB . 16441 1 1049 . 1 1 99 99 ALA HB3 H 1 1.409 0.030 . 1 . . . . 1145 ALA HB . 16441 1 1050 . 1 1 99 99 ALA C C 13 177.845 0.400 . 1 . . . . 1145 ALA C . 16441 1 1051 . 1 1 99 99 ALA CA C 13 54.179 0.400 . 1 . . . . 1145 ALA CA . 16441 1 1052 . 1 1 99 99 ALA CB C 13 18.928 0.400 . 1 . . . . 1145 ALA CB . 16441 1 1053 . 1 1 99 99 ALA N N 15 124.321 0.400 . 1 . . . . 1145 ALA N . 16441 1 1054 . 1 1 100 100 SER H H 1 8.207 0.030 . 1 . . . . 1146 SER H . 16441 1 1055 . 1 1 100 100 SER HA H 1 4.418 0.030 . 1 . . . . 1146 SER HA . 16441 1 1056 . 1 1 100 100 SER HB2 H 1 3.838 0.030 . 2 . . . . 1146 SER HB2 . 16441 1 1057 . 1 1 100 100 SER HB3 H 1 3.838 0.030 . 2 . . . . 1146 SER HB3 . 16441 1 1058 . 1 1 100 100 SER C C 13 174.461 0.400 . 1 . . . . 1146 SER C . 16441 1 1059 . 1 1 100 100 SER CA C 13 59.422 0.400 . 1 . . . . 1146 SER CA . 16441 1 1060 . 1 1 100 100 SER CB C 13 63.894 0.400 . 1 . . . . 1146 SER CB . 16441 1 1061 . 1 1 100 100 SER N N 15 114.147 0.400 . 1 . . . . 1146 SER N . 16441 1 1062 . 1 1 101 101 LEU H H 1 8.064 0.030 . 1 . . . . 1147 LEU H . 16441 1 1063 . 1 1 101 101 LEU HA H 1 4.328 0.030 . 1 . . . . 1147 LEU HA . 16441 1 1064 . 1 1 101 101 LEU HB2 H 1 1.666 0.030 . 2 . . . . 1147 LEU HB2 . 16441 1 1065 . 1 1 101 101 LEU HB3 H 1 1.600 0.030 . 2 . . . . 1147 LEU HB3 . 16441 1 1066 . 1 1 101 101 LEU HD11 H 1 0.888 0.030 . 2 . . . . 1147 LEU HD1 . 16441 1 1067 . 1 1 101 101 LEU HD12 H 1 0.888 0.030 . 2 . . . . 1147 LEU HD1 . 16441 1 1068 . 1 1 101 101 LEU HD13 H 1 0.888 0.030 . 2 . . . . 1147 LEU HD1 . 16441 1 1069 . 1 1 101 101 LEU HD21 H 1 0.863 0.030 . 2 . . . . 1147 LEU HD2 . 16441 1 1070 . 1 1 101 101 LEU HD22 H 1 0.863 0.030 . 2 . . . . 1147 LEU HD2 . 16441 1 1071 . 1 1 101 101 LEU HD23 H 1 0.863 0.030 . 2 . . . . 1147 LEU HD2 . 16441 1 1072 . 1 1 101 101 LEU HG H 1 1.610 0.030 . 1 . . . . 1147 LEU HG . 16441 1 1073 . 1 1 101 101 LEU C C 13 177.203 0.400 . 1 . . . . 1147 LEU C . 16441 1 1074 . 1 1 101 101 LEU CA C 13 55.136 0.400 . 1 . . . . 1147 LEU CA . 16441 1 1075 . 1 1 101 101 LEU CB C 13 42.206 0.400 . 1 . . . . 1147 LEU CB . 16441 1 1076 . 1 1 101 101 LEU CD1 C 13 24.161 0.400 . 1 . . . . 1147 LEU CD1 . 16441 1 1077 . 1 1 101 101 LEU CD2 C 13 23.466 0.400 . 1 . . . . 1147 LEU CD2 . 16441 1 1078 . 1 1 101 101 LEU CG C 13 27.350 0.400 . 1 . . . . 1147 LEU CG . 16441 1 1079 . 1 1 101 101 LEU N N 15 123.482 0.400 . 1 . . . . 1147 LEU N . 16441 1 1080 . 1 1 102 102 VAL H H 1 7.948 0.030 . 1 . . . . 1148 VAL H . 16441 1 1081 . 1 1 102 102 VAL HA H 1 4.088 0.030 . 1 . . . . 1148 VAL HA . 16441 1 1082 . 1 1 102 102 VAL HB H 1 2.041 0.030 . 1 . . . . 1148 VAL HB . 16441 1 1083 . 1 1 102 102 VAL HG11 H 1 0.934 0.030 . 2 . . . . 1148 VAL HG1 . 16441 1 1084 . 1 1 102 102 VAL HG12 H 1 0.934 0.030 . 2 . . . . 1148 VAL HG1 . 16441 1 1085 . 1 1 102 102 VAL HG13 H 1 0.934 0.030 . 2 . . . . 1148 VAL HG1 . 16441 1 1086 . 1 1 102 102 VAL HG21 H 1 0.934 0.030 . 2 . . . . 1148 VAL HG2 . 16441 1 1087 . 1 1 102 102 VAL HG22 H 1 0.934 0.030 . 2 . . . . 1148 VAL HG2 . 16441 1 1088 . 1 1 102 102 VAL HG23 H 1 0.934 0.030 . 2 . . . . 1148 VAL HG2 . 16441 1 1089 . 1 1 102 102 VAL C C 13 175.833 0.400 . 1 . . . . 1148 VAL C . 16441 1 1090 . 1 1 102 102 VAL CA C 13 62.670 0.400 . 1 . . . . 1148 VAL CA . 16441 1 1091 . 1 1 102 102 VAL CB C 13 33.188 0.400 . 1 . . . . 1148 VAL CB . 16441 1 1092 . 1 1 102 102 VAL CG2 C 13 21.288 0.400 . 1 . . . . 1148 VAL CG2 . 16441 1 1093 . 1 1 102 102 VAL N N 15 120.507 0.400 . 1 . . . . 1148 VAL N . 16441 1 1094 . 1 1 103 103 GLN H H 1 8.381 0.030 . 1 . . . . 1149 GLN H . 16441 1 1095 . 1 1 103 103 GLN HA H 1 4.384 0.030 . 1 . . . . 1149 GLN HA . 16441 1 1096 . 1 1 103 103 GLN HB2 H 1 2.075 0.030 . 2 . . . . 1149 GLN HB2 . 16441 1 1097 . 1 1 103 103 GLN HB3 H 1 1.972 0.030 . 2 . . . . 1149 GLN HB3 . 16441 1 1098 . 1 1 103 103 GLN HE21 H 1 6.987 0.030 . 2 . . . . 1149 GLN HE21 . 16441 1 1099 . 1 1 103 103 GLN HE22 H 1 7.661 0.030 . 2 . . . . 1149 GLN HE22 . 16441 1 1100 . 1 1 103 103 GLN HG2 H 1 2.331 0.030 . 2 . . . . 1149 GLN HG2 . 16441 1 1101 . 1 1 103 103 GLN HG3 H 1 2.331 0.030 . 2 . . . . 1149 GLN HG3 . 16441 1 1102 . 1 1 103 103 GLN C C 13 175.707 0.400 . 1 . . . . 1149 GLN C . 16441 1 1103 . 1 1 103 103 GLN CA C 13 55.210 0.400 . 1 . . . . 1149 GLN CA . 16441 1 1104 . 1 1 103 103 GLN CB C 13 30.140 0.400 . 1 . . . . 1149 GLN CB . 16441 1 1105 . 1 1 103 103 GLN CG C 13 34.184 0.400 . 1 . . . . 1149 GLN CG . 16441 1 1106 . 1 1 103 103 GLN N N 15 124.571 0.400 . 1 . . . . 1149 GLN N . 16441 1 1107 . 1 1 103 103 GLN NE2 N 15 111.424 0.400 . 1 . . . . 1149 GLN NE2 . 16441 1 1108 . 1 1 104 104 ILE H H 1 8.240 0.030 . 1 . . . . 1150 ILE H . 16441 1 1109 . 1 1 104 104 ILE HA H 1 4.153 0.030 . 1 . . . . 1150 ILE HA . 16441 1 1110 . 1 1 104 104 ILE HB H 1 1.857 0.030 . 1 . . . . 1150 ILE HB . 16441 1 1111 . 1 1 104 104 ILE HD11 H 1 0.841 0.030 . 1 . . . . 1150 ILE HD1 . 16441 1 1112 . 1 1 104 104 ILE HD12 H 1 0.841 0.030 . 1 . . . . 1150 ILE HD1 . 16441 1 1113 . 1 1 104 104 ILE HD13 H 1 0.841 0.030 . 1 . . . . 1150 ILE HD1 . 16441 1 1114 . 1 1 104 104 ILE HG12 H 1 1.482 0.030 . 2 . . . . 1150 ILE HG12 . 16441 1 1115 . 1 1 104 104 ILE HG13 H 1 1.179 0.030 . 2 . . . . 1150 ILE HG13 . 16441 1 1116 . 1 1 104 104 ILE HG21 H 1 0.819 0.030 . 1 . . . . 1150 ILE HG2 . 16441 1 1117 . 1 1 104 104 ILE HG22 H 1 0.819 0.030 . 1 . . . . 1150 ILE HG2 . 16441 1 1118 . 1 1 104 104 ILE HG23 H 1 0.819 0.030 . 1 . . . . 1150 ILE HG2 . 16441 1 1119 . 1 1 104 104 ILE C C 13 175.833 0.400 . 1 . . . . 1150 ILE C . 16441 1 1120 . 1 1 104 104 ILE CA C 13 61.800 0.400 . 1 . . . . 1150 ILE CA . 16441 1 1121 . 1 1 104 104 ILE CB C 13 39.002 0.400 . 1 . . . . 1150 ILE CB . 16441 1 1122 . 1 1 104 104 ILE CD1 C 13 12.939 0.400 . 1 . . . . 1150 ILE CD1 . 16441 1 1123 . 1 1 104 104 ILE CG1 C 13 27.846 0.400 . 1 . . . . 1150 ILE CG1 . 16441 1 1124 . 1 1 104 104 ILE CG2 C 13 17.601 0.400 . 1 . . . . 1150 ILE CG2 . 16441 1 1125 . 1 1 104 104 ILE N N 15 123.032 0.400 . 1 . . . . 1150 ILE N . 16441 1 1126 . 1 1 105 105 ASP H H 1 8.416 0.030 . 1 . . . . 1151 ASP H . 16441 1 1127 . 1 1 105 105 ASP HA H 1 4.635 0.030 . 1 . . . . 1151 ASP HA . 16441 1 1128 . 1 1 105 105 ASP HB2 H 1 2.737 0.030 . 2 . . . . 1151 ASP HB2 . 16441 1 1129 . 1 1 105 105 ASP HB3 H 1 2.630 0.030 . 2 . . . . 1151 ASP HB3 . 16441 1 1130 . 1 1 105 105 ASP C C 13 175.964 0.400 . 1 . . . . 1151 ASP C . 16441 1 1131 . 1 1 105 105 ASP CA C 13 54.022 0.400 . 1 . . . . 1151 ASP CA . 16441 1 1132 . 1 1 105 105 ASP CB C 13 41.575 0.400 . 1 . . . . 1151 ASP CB . 16441 1 1133 . 1 1 105 105 ASP N N 15 124.277 0.400 . 1 . . . . 1151 ASP N . 16441 1 1134 . 1 1 106 106 ALA H H 1 8.323 0.030 . 1 . . . . 1152 ALA H . 16441 1 1135 . 1 1 106 106 ALA HA H 1 4.335 0.030 . 1 . . . . 1152 ALA HA . 16441 1 1136 . 1 1 106 106 ALA HB1 H 1 1.413 0.030 . 1 . . . . 1152 ALA HB . 16441 1 1137 . 1 1 106 106 ALA HB2 H 1 1.413 0.030 . 1 . . . . 1152 ALA HB . 16441 1 1138 . 1 1 106 106 ALA HB3 H 1 1.413 0.030 . 1 . . . . 1152 ALA HB . 16441 1 1139 . 1 1 106 106 ALA C C 13 177.964 0.400 . 1 . . . . 1152 ALA C . 16441 1 1140 . 1 1 106 106 ALA CA C 13 53.193 0.400 . 1 . . . . 1152 ALA CA . 16441 1 1141 . 1 1 106 106 ALA CB C 13 19.136 0.400 . 1 . . . . 1152 ALA CB . 16441 1 1142 . 1 1 106 106 ALA N N 15 125.220 0.400 . 1 . . . . 1152 ALA N . 16441 1 1143 . 1 1 107 107 SER H H 1 8.363 0.030 . 1 . . . . 1153 SER H . 16441 1 1144 . 1 1 107 107 SER HA H 1 4.486 0.030 . 1 . . . . 1153 SER HA . 16441 1 1145 . 1 1 107 107 SER HB2 H 1 3.938 0.030 . 2 . . . . 1153 SER HB2 . 16441 1 1146 . 1 1 107 107 SER HB3 H 1 3.889 0.030 . 2 . . . . 1153 SER HB3 . 16441 1 1147 . 1 1 107 107 SER C C 13 174.646 0.400 . 1 . . . . 1153 SER C . 16441 1 1148 . 1 1 107 107 SER CA C 13 58.799 0.400 . 1 . . . . 1153 SER CA . 16441 1 1149 . 1 1 107 107 SER CB C 13 64.104 0.400 . 1 . . . . 1153 SER CB . 16441 1 1150 . 1 1 107 107 SER N N 15 114.775 0.400 . 1 . . . . 1153 SER N . 16441 1 1151 . 1 1 108 108 ASN H H 1 8.280 0.030 . 1 . . . . 1154 ASN H . 16441 1 1152 . 1 1 108 108 ASN HA H 1 4.659 0.030 . 1 . . . . 1154 ASN HA . 16441 1 1153 . 1 1 108 108 ASN HB2 H 1 2.838 0.030 . 2 . . . . 1154 ASN HB2 . 16441 1 1154 . 1 1 108 108 ASN HB3 H 1 2.777 0.030 . 2 . . . . 1154 ASN HB3 . 16441 1 1155 . 1 1 108 108 ASN HD21 H 1 7.523 0.030 . 2 . . . . 1154 ASN HD21 . 16441 1 1156 . 1 1 108 108 ASN HD22 H 1 6.834 0.030 . 2 . . . . 1154 ASN HD22 . 16441 1 1157 . 1 1 108 108 ASN C C 13 175.325 0.400 . 1 . . . . 1154 ASN C . 16441 1 1158 . 1 1 108 108 ASN CA C 13 52.930 0.400 . 1 . . . . 1154 ASN CA . 16441 1 1159 . 1 1 108 108 ASN CB C 13 39.408 0.400 . 1 . . . . 1154 ASN CB . 16441 1 1160 . 1 1 108 108 ASN N N 15 120.134 0.400 . 1 . . . . 1154 ASN N . 16441 1 1161 . 1 1 108 108 ASN ND2 N 15 112.800 0.400 . 1 . . . . 1154 ASN ND2 . 16441 1 1162 . 1 1 109 109 GLU H H 1 8.323 0.030 . 1 . . . . 1155 GLU H . 16441 1 1163 . 1 1 109 109 GLU HA H 1 4.258 0.030 . 1 . . . . 1155 GLU HA . 16441 1 1164 . 1 1 109 109 GLU HB2 H 1 2.168 0.030 . 2 . . . . 1155 GLU HB2 . 16441 1 1165 . 1 1 109 109 GLU HB3 H 1 1.959 0.030 . 2 . . . . 1155 GLU HB3 . 16441 1 1166 . 1 1 109 109 GLU HG2 H 1 2.283 0.030 . 2 . . . . 1155 GLU HG2 . 16441 1 1167 . 1 1 109 109 GLU HG3 H 1 2.244 0.030 . 2 . . . . 1155 GLU HG3 . 16441 1 1168 . 1 1 109 109 GLU C C 13 176.710 0.400 . 1 . . . . 1155 GLU C . 16441 1 1169 . 1 1 109 109 GLU CA C 13 56.932 0.400 . 1 . . . . 1155 GLU CA . 16441 1 1170 . 1 1 109 109 GLU CB C 13 29.630 0.400 . 1 . . . . 1155 GLU CB . 16441 1 1171 . 1 1 109 109 GLU CG C 13 36.431 0.400 . 1 . . . . 1155 GLU CG . 16441 1 1172 . 1 1 109 109 GLU N N 15 121.101 0.400 . 1 . . . . 1155 GLU N . 16441 1 1173 . 1 1 110 110 GLN H H 1 8.382 0.030 . 1 . . . . 1156 GLN H . 16441 1 1174 . 1 1 110 110 GLN HA H 1 4.366 0.030 . 1 . . . . 1156 GLN HA . 16441 1 1175 . 1 1 110 110 GLN HB2 H 1 1.982 0.030 . 2 . . . . 1156 GLN HB2 . 16441 1 1176 . 1 1 110 110 GLN HB3 H 1 2.118 0.030 . 2 . . . . 1156 GLN HB3 . 16441 1 1177 . 1 1 110 110 GLN HG2 H 1 2.381 0.030 . 2 . . . . 1156 GLN HG2 . 16441 1 1178 . 1 1 110 110 GLN HG3 H 1 2.381 0.030 . 2 . . . . 1156 GLN HG3 . 16441 1 1179 . 1 1 110 110 GLN C C 13 176.206 0.400 . 1 . . . . 1156 GLN C . 16441 1 1180 . 1 1 110 110 GLN CA C 13 55.944 0.400 . 1 . . . . 1156 GLN CA . 16441 1 1181 . 1 1 110 110 GLN CB C 13 28.769 0.400 . 1 . . . . 1156 GLN CB . 16441 1 1182 . 1 1 110 110 GLN CG C 13 34.048 0.400 . 1 . . . . 1156 GLN CG . 16441 1 1183 . 1 1 110 110 GLN N N 15 120.493 0.400 . 1 . . . . 1156 GLN N . 16441 1 1184 . 1 1 111 111 SER H H 1 8.309 0.030 . 1 . . . . 1157 SER H . 16441 1 1185 . 1 1 111 111 SER HA H 1 4.268 0.030 . 1 . . . . 1157 SER HA . 16441 1 1186 . 1 1 111 111 SER HB2 H 1 3.891 0.030 . 2 . . . . 1157 SER HB2 . 16441 1 1187 . 1 1 111 111 SER HB3 H 1 3.836 0.030 . 2 . . . . 1157 SER HB3 . 16441 1 1188 . 1 1 111 111 SER C C 13 174.832 0.400 . 1 . . . . 1157 SER C . 16441 1 1189 . 1 1 111 111 SER CA C 13 57.712 0.400 . 1 . . . . 1157 SER CA . 16441 1 1190 . 1 1 111 111 SER CB C 13 63.608 0.400 . 1 . . . . 1157 SER CB . 16441 1 1191 . 1 1 111 111 SER N N 15 116.583 0.400 . 1 . . . . 1157 SER N . 16441 1 1192 . 1 1 112 112 SER H H 1 8.407 0.030 . 1 . . . . 1158 SER H . 16441 1 1193 . 1 1 112 112 SER HA H 1 4.493 0.030 . 1 . . . . 1158 SER HA . 16441 1 1194 . 1 1 112 112 SER HB2 H 1 3.935 0.030 . 2 . . . . 1158 SER HB2 . 16441 1 1195 . 1 1 112 112 SER HB3 H 1 3.886 0.030 . 2 . . . . 1158 SER HB3 . 16441 1 1196 . 1 1 112 112 SER C C 13 174.974 0.400 . 1 . . . . 1158 SER C . 16441 1 1197 . 1 1 112 112 SER CA C 13 59.363 0.400 . 1 . . . . 1158 SER CA . 16441 1 1198 . 1 1 112 112 SER CB C 13 63.557 0.400 . 1 . . . . 1158 SER CB . 16441 1 1199 . 1 1 112 112 SER N N 15 117.897 0.400 . 1 . . . . 1158 SER N . 16441 1 1200 . 1 1 113 113 THR H H 1 8.191 0.030 . 1 . . . . 1159 THR H . 16441 1 1201 . 1 1 113 113 THR HA H 1 4.301 0.030 . 1 . . . . 1159 THR HA . 16441 1 1202 . 1 1 113 113 THR HB H 1 4.303 0.030 . 1 . . . . 1159 THR HB . 16441 1 1203 . 1 1 113 113 THR HG21 H 1 1.163 0.030 . 1 . . . . 1159 THR HG2 . 16441 1 1204 . 1 1 113 113 THR HG22 H 1 1.163 0.030 . 1 . . . . 1159 THR HG2 . 16441 1 1205 . 1 1 113 113 THR HG23 H 1 1.163 0.030 . 1 . . . . 1159 THR HG2 . 16441 1 1206 . 1 1 113 113 THR C C 13 174.879 0.400 . 1 . . . . 1159 THR C . 16441 1 1207 . 1 1 113 113 THR CA C 13 62.465 0.400 . 1 . . . . 1159 THR CA . 16441 1 1208 . 1 1 113 113 THR CB C 13 70.405 0.400 . 1 . . . . 1159 THR CB . 16441 1 1209 . 1 1 113 113 THR CG2 C 13 22.104 0.400 . 1 . . . . 1159 THR CG2 . 16441 1 1210 . 1 1 113 113 THR N N 15 115.404 0.400 . 1 . . . . 1159 THR N . 16441 1 1211 . 1 1 116 116 SER H H 1 8.298 0.030 . 1 . . . . 1162 SER H . 16441 1 1212 . 1 1 116 116 SER HA H 1 4.495 0.030 . 1 . . . . 1162 SER HA . 16441 1 1213 . 1 1 116 116 SER HB2 H 1 3.785 0.030 . 2 . . . . 1162 SER HB2 . 16441 1 1214 . 1 1 116 116 SER HB3 H 1 3.785 0.030 . 2 . . . . 1162 SER HB3 . 16441 1 1215 . 1 1 116 116 SER C C 13 174.437 0.400 . 1 . . . . 1162 SER C . 16441 1 1216 . 1 1 116 116 SER CA C 13 59.124 0.400 . 1 . . . . 1162 SER CA . 16441 1 1217 . 1 1 116 116 SER CB C 13 63.866 0.400 . 1 . . . . 1162 SER CB . 16441 1 1218 . 1 1 116 116 SER N N 15 117.474 0.400 . 1 . . . . 1162 SER N . 16441 1 1219 . 1 1 117 117 MET H H 1 8.194 0.030 . 1 . . . . 1163 MET H . 16441 1 1220 . 1 1 117 117 MET HA H 1 4.446 0.030 . 1 . . . . 1163 MET HA . 16441 1 1221 . 1 1 117 117 MET HB2 H 1 2.081 0.030 . 2 . . . . 1163 MET HB2 . 16441 1 1222 . 1 1 117 117 MET HB3 H 1 2.020 0.030 . 2 . . . . 1163 MET HB3 . 16441 1 1223 . 1 1 117 117 MET HG2 H 1 2.577 0.030 . 2 . . . . 1163 MET HG2 . 16441 1 1224 . 1 1 117 117 MET HG3 H 1 2.510 0.030 . 2 . . . . 1163 MET HG3 . 16441 1 1225 . 1 1 117 117 MET C C 13 176.093 0.400 . 1 . . . . 1163 MET C . 16441 1 1226 . 1 1 117 117 MET CA C 13 56.407 0.400 . 1 . . . . 1163 MET CA . 16441 1 1227 . 1 1 117 117 MET CB C 13 33.077 0.400 . 1 . . . . 1163 MET CB . 16441 1 1228 . 1 1 117 117 MET CG C 13 32.458 0.400 . 1 . . . . 1163 MET CG . 16441 1 1229 . 1 1 117 117 MET N N 15 121.754 0.400 . 1 . . . . 1163 MET N . 16441 1 1230 . 1 1 118 118 ILE H H 1 8.046 0.030 . 1 . . . . 1164 ILE H . 16441 1 1231 . 1 1 118 118 ILE HA H 1 4.116 0.030 . 1 . . . . 1164 ILE HA . 16441 1 1232 . 1 1 118 118 ILE HB H 1 1.852 0.030 . 1 . . . . 1164 ILE HB . 16441 1 1233 . 1 1 118 118 ILE HD11 H 1 0.853 0.030 . 1 . . . . 1164 ILE HD1 . 16441 1 1234 . 1 1 118 118 ILE HD12 H 1 0.853 0.030 . 1 . . . . 1164 ILE HD1 . 16441 1 1235 . 1 1 118 118 ILE HD13 H 1 0.853 0.030 . 1 . . . . 1164 ILE HD1 . 16441 1 1236 . 1 1 118 118 ILE HG12 H 1 1.504 0.030 . 2 . . . . 1164 ILE HG12 . 16441 1 1237 . 1 1 118 118 ILE HG13 H 1 1.176 0.030 . 2 . . . . 1164 ILE HG13 . 16441 1 1238 . 1 1 118 118 ILE HG21 H 1 0.888 0.030 . 1 . . . . 1164 ILE HG2 . 16441 1 1239 . 1 1 118 118 ILE HG22 H 1 0.888 0.030 . 1 . . . . 1164 ILE HG2 . 16441 1 1240 . 1 1 118 118 ILE HG23 H 1 0.888 0.030 . 1 . . . . 1164 ILE HG2 . 16441 1 1241 . 1 1 118 118 ILE C C 13 176.333 0.400 . 1 . . . . 1164 ILE C . 16441 1 1242 . 1 1 118 118 ILE CA C 13 62.213 0.400 . 1 . . . . 1164 ILE CA . 16441 1 1243 . 1 1 118 118 ILE CB C 13 38.774 0.400 . 1 . . . . 1164 ILE CB . 16441 1 1244 . 1 1 118 118 ILE CD1 C 13 13.265 0.400 . 1 . . . . 1164 ILE CD1 . 16441 1 1245 . 1 1 118 118 ILE CG1 C 13 28.051 0.400 . 1 . . . . 1164 ILE CG1 . 16441 1 1246 . 1 1 118 118 ILE CG2 C 13 17.897 0.400 . 1 . . . . 1164 ILE CG2 . 16441 1 1247 . 1 1 118 118 ILE N N 15 122.312 0.400 . 1 . . . . 1164 ILE N . 16441 1 1248 . 1 1 119 119 ILE H H 1 8.153 0.030 . 1 . . . . 1165 ILE H . 16441 1 1249 . 1 1 119 119 ILE HA H 1 4.144 0.030 . 1 . . . . 1165 ILE HA . 16441 1 1250 . 1 1 119 119 ILE HB H 1 1.851 0.030 . 1 . . . . 1165 ILE HB . 16441 1 1251 . 1 1 119 119 ILE HD11 H 1 0.846 0.030 . 1 . . . . 1165 ILE HD1 . 16441 1 1252 . 1 1 119 119 ILE HD12 H 1 0.846 0.030 . 1 . . . . 1165 ILE HD1 . 16441 1 1253 . 1 1 119 119 ILE HD13 H 1 0.846 0.030 . 1 . . . . 1165 ILE HD1 . 16441 1 1254 . 1 1 119 119 ILE HG12 H 1 1.467 0.030 . 2 . . . . 1165 ILE HG12 . 16441 1 1255 . 1 1 119 119 ILE HG13 H 1 1.178 0.030 . 2 . . . . 1165 ILE HG13 . 16441 1 1256 . 1 1 119 119 ILE HG21 H 1 0.894 0.030 . 1 . . . . 1165 ILE HG2 . 16441 1 1257 . 1 1 119 119 ILE HG22 H 1 0.894 0.030 . 1 . . . . 1165 ILE HG2 . 16441 1 1258 . 1 1 119 119 ILE HG23 H 1 0.894 0.030 . 1 . . . . 1165 ILE HG2 . 16441 1 1259 . 1 1 119 119 ILE C C 13 176.083 0.400 . 1 . . . . 1165 ILE C . 16441 1 1260 . 1 1 119 119 ILE CA C 13 61.836 0.400 . 1 . . . . 1165 ILE CA . 16441 1 1261 . 1 1 119 119 ILE CB C 13 39.175 0.400 . 1 . . . . 1165 ILE CB . 16441 1 1262 . 1 1 119 119 ILE CD1 C 13 13.403 0.400 . 1 . . . . 1165 ILE CD1 . 16441 1 1263 . 1 1 119 119 ILE CG1 C 13 28.093 0.400 . 1 . . . . 1165 ILE CG1 . 16441 1 1264 . 1 1 119 119 ILE CG2 C 13 18.096 0.400 . 1 . . . . 1165 ILE CG2 . 16441 1 1265 . 1 1 119 119 ILE N N 15 125.128 0.400 . 1 . . . . 1165 ILE N . 16441 1 1266 . 1 1 120 120 ASP H H 1 8.303 0.030 . 1 . . . . 1166 ASP H . 16441 1 1267 . 1 1 120 120 ASP HA H 1 4.561 0.030 . 1 . . . . 1166 ASP HA . 16441 1 1268 . 1 1 120 120 ASP HB2 H 1 2.714 0.030 . 2 . . . . 1166 ASP HB2 . 16441 1 1269 . 1 1 120 120 ASP HB3 H 1 2.625 0.030 . 2 . . . . 1166 ASP HB3 . 16441 1 1270 . 1 1 120 120 ASP C C 13 176.465 0.400 . 1 . . . . 1166 ASP C . 16441 1 1271 . 1 1 120 120 ASP CA C 13 54.900 0.400 . 1 . . . . 1166 ASP CA . 16441 1 1272 . 1 1 120 120 ASP CB C 13 41.669 0.400 . 1 . . . . 1166 ASP CB . 16441 1 1273 . 1 1 120 120 ASP N N 15 124.331 0.400 . 1 . . . . 1166 ASP N . 16441 1 1274 . 1 1 121 121 ALA H H 1 8.241 0.030 . 1 . . . . 1167 ALA H . 16441 1 1275 . 1 1 121 121 ALA HA H 1 4.292 0.030 . 1 . . . . 1167 ALA HA . 16441 1 1276 . 1 1 121 121 ALA HB1 H 1 1.411 0.030 . 1 . . . . 1167 ALA HB . 16441 1 1277 . 1 1 121 121 ALA HB2 H 1 1.411 0.030 . 1 . . . . 1167 ALA HB . 16441 1 1278 . 1 1 121 121 ALA HB3 H 1 1.411 0.030 . 1 . . . . 1167 ALA HB . 16441 1 1279 . 1 1 121 121 ALA C C 13 178.222 0.400 . 1 . . . . 1167 ALA C . 16441 1 1280 . 1 1 121 121 ALA CA C 13 52.898 0.400 . 1 . . . . 1167 ALA CA . 16441 1 1281 . 1 1 121 121 ALA CB C 13 19.623 0.400 . 1 . . . . 1167 ALA CB . 16441 1 1282 . 1 1 121 121 ALA N N 15 124.656 0.400 . 1 . . . . 1167 ALA N . 16441 1 1283 . 1 1 122 122 GLN H H 1 8.282 0.030 . 1 . . . . 1168 GLN H . 16441 1 1284 . 1 1 122 122 GLN HA H 1 4.229 0.030 . 1 . . . . 1168 GLN HA . 16441 1 1285 . 1 1 122 122 GLN HB2 H 1 2.092 0.030 . 2 . . . . 1168 GLN HB2 . 16441 1 1286 . 1 1 122 122 GLN HB3 H 1 2.122 0.030 . 2 . . . . 1168 GLN HB3 . 16441 1 1287 . 1 1 122 122 GLN HE21 H 1 6.831 0.030 . 2 . . . . 1168 GLN HE21 . 16441 1 1288 . 1 1 122 122 GLN HE22 H 1 7.558 0.030 . 2 . . . . 1168 GLN HE22 . 16441 1 1289 . 1 1 122 122 GLN HG2 H 1 2.416 0.030 . 2 . . . . 1168 GLN HG2 . 16441 1 1290 . 1 1 122 122 GLN HG3 H 1 2.357 0.030 . 2 . . . . 1168 GLN HG3 . 16441 1 1291 . 1 1 122 122 GLN C C 13 177.213 0.400 . 1 . . . . 1168 GLN C . 16441 1 1292 . 1 1 122 122 GLN CA C 13 57.388 0.400 . 1 . . . . 1168 GLN CA . 16441 1 1293 . 1 1 122 122 GLN CB C 13 29.115 0.400 . 1 . . . . 1168 GLN CB . 16441 1 1294 . 1 1 122 122 GLN CG C 13 34.200 0.400 . 1 . . . . 1168 GLN CG . 16441 1 1295 . 1 1 122 122 GLN N N 15 117.957 0.400 . 1 . . . . 1168 GLN N . 16441 1 1296 . 1 1 122 122 GLN NE2 N 15 112.570 0.400 . 1 . . . . 1168 GLN NE2 . 16441 1 1297 . 1 1 123 123 ILE H H 1 8.000 0.030 . 1 . . . . 1169 ILE H . 16441 1 1298 . 1 1 123 123 ILE HA H 1 4.055 0.030 . 1 . . . . 1169 ILE HA . 16441 1 1299 . 1 1 123 123 ILE HB H 1 1.903 0.030 . 1 . . . . 1169 ILE HB . 16441 1 1300 . 1 1 123 123 ILE HD11 H 1 0.851 0.030 . 1 . . . . 1169 ILE HD1 . 16441 1 1301 . 1 1 123 123 ILE HD12 H 1 0.851 0.030 . 1 . . . . 1169 ILE HD1 . 16441 1 1302 . 1 1 123 123 ILE HD13 H 1 0.851 0.030 . 1 . . . . 1169 ILE HD1 . 16441 1 1303 . 1 1 123 123 ILE HG12 H 1 1.479 0.030 . 2 . . . . 1169 ILE HG12 . 16441 1 1304 . 1 1 123 123 ILE HG13 H 1 1.186 0.030 . 2 . . . . 1169 ILE HG13 . 16441 1 1305 . 1 1 123 123 ILE HG21 H 1 0.892 0.030 . 1 . . . . 1169 ILE HG2 . 16441 1 1306 . 1 1 123 123 ILE HG22 H 1 0.892 0.030 . 1 . . . . 1169 ILE HG2 . 16441 1 1307 . 1 1 123 123 ILE HG23 H 1 0.892 0.030 . 1 . . . . 1169 ILE HG2 . 16441 1 1308 . 1 1 123 123 ILE C C 13 174.981 0.400 . 1 . . . . 1169 ILE C . 16441 1 1309 . 1 1 123 123 ILE CA C 13 62.385 0.400 . 1 . . . . 1169 ILE CA . 16441 1 1310 . 1 1 123 123 ILE CB C 13 37.987 0.400 . 1 . . . . 1169 ILE CB . 16441 1 1311 . 1 1 123 123 ILE CD1 C 13 12.973 0.400 . 1 . . . . 1169 ILE CD1 . 16441 1 1312 . 1 1 123 123 ILE CG1 C 13 27.672 0.400 . 1 . . . . 1169 ILE CG1 . 16441 1 1313 . 1 1 123 123 ILE CG2 C 13 17.624 0.400 . 1 . . . . 1169 ILE CG2 . 16441 1 1314 . 1 1 123 123 ILE N N 15 121.175 0.400 . 1 . . . . 1169 ILE N . 16441 1 1315 . 1 1 124 124 SER H H 1 8.249 0.030 . 1 . . . . 1170 SER H . 16441 1 1316 . 1 1 124 124 SER HA H 1 4.446 0.030 . 1 . . . . 1170 SER HA . 16441 1 1317 . 1 1 124 124 SER HB2 H 1 3.888 0.030 . 2 . . . . 1170 SER HB2 . 16441 1 1318 . 1 1 124 124 SER HB3 H 1 3.888 0.030 . 2 . . . . 1170 SER HB3 . 16441 1 1319 . 1 1 124 124 SER C C 13 176.934 0.400 . 1 . . . . 1170 SER C . 16441 1 1320 . 1 1 124 124 SER CA C 13 58.993 0.400 . 1 . . . . 1170 SER CA . 16441 1 1321 . 1 1 124 124 SER CB C 13 63.465 0.400 . 1 . . . . 1170 SER CB . 16441 1 1322 . 1 1 124 124 SER N N 15 117.881 0.400 . 1 . . . . 1170 SER N . 16441 1 1323 . 1 1 125 125 ASN H H 1 8.409 0.030 . 1 . . . . 1171 ASN H . 16441 1 1324 . 1 1 125 125 ASN HA H 1 4.663 0.030 . 1 . . . . 1171 ASN HA . 16441 1 1325 . 1 1 125 125 ASN HB2 H 1 2.834 0.030 . 2 . . . . 1171 ASN HB2 . 16441 1 1326 . 1 1 125 125 ASN HB3 H 1 2.739 0.030 . 2 . . . . 1171 ASN HB3 . 16441 1 1327 . 1 1 125 125 ASN HD21 H 1 6.933 0.030 . 2 . . . . 1171 ASN HD21 . 16441 1 1328 . 1 1 125 125 ASN HD22 H 1 7.690 0.030 . 2 . . . . 1171 ASN HD22 . 16441 1 1329 . 1 1 125 125 ASN C C 13 176.208 0.400 . 1 . . . . 1171 ASN C . 16441 1 1330 . 1 1 125 125 ASN CA C 13 53.975 0.400 . 1 . . . . 1171 ASN CA . 16441 1 1331 . 1 1 125 125 ASN CB C 13 38.230 0.400 . 1 . . . . 1171 ASN CB . 16441 1 1332 . 1 1 125 125 ASN N N 15 121.113 0.400 . 1 . . . . 1171 ASN N . 16441 1 1333 . 1 1 125 125 ASN ND2 N 15 112.158 0.400 . 1 . . . . 1171 ASN ND2 . 16441 1 1334 . 1 1 126 126 ALA H H 1 8.102 0.030 . 1 . . . . 1172 ALA H . 16441 1 1335 . 1 1 126 126 ALA HA H 1 4.223 0.030 . 1 . . . . 1172 ALA HA . 16441 1 1336 . 1 1 126 126 ALA HB1 H 1 1.435 0.030 . 1 . . . . 1172 ALA HB . 16441 1 1337 . 1 1 126 126 ALA HB2 H 1 1.435 0.030 . 1 . . . . 1172 ALA HB . 16441 1 1338 . 1 1 126 126 ALA HB3 H 1 1.435 0.030 . 1 . . . . 1172 ALA HB . 16441 1 1339 . 1 1 126 126 ALA C C 13 179.221 0.400 . 1 . . . . 1172 ALA C . 16441 1 1340 . 1 1 126 126 ALA CA C 13 53.566 0.400 . 1 . . . . 1172 ALA CA . 16441 1 1341 . 1 1 126 126 ALA CB C 13 18.172 0.400 . 1 . . . . 1172 ALA CB . 16441 1 1342 . 1 1 126 126 ALA N N 15 123.638 0.400 . 1 . . . . 1172 ALA N . 16441 1 1343 . 1 1 127 127 LEU H H 1 8.104 0.030 . 1 . . . . 1173 LEU H . 16441 1 1344 . 1 1 127 127 LEU HA H 1 4.288 0.030 . 1 . . . . 1173 LEU HA . 16441 1 1345 . 1 1 127 127 LEU HB2 H 1 1.734 0.030 . 2 . . . . 1173 LEU HB2 . 16441 1 1346 . 1 1 127 127 LEU HB3 H 1 1.580 0.030 . 2 . . . . 1173 LEU HB3 . 16441 1 1347 . 1 1 127 127 LEU HD11 H 1 0.863 0.030 . 2 . . . . 1173 LEU HD1 . 16441 1 1348 . 1 1 127 127 LEU HD12 H 1 0.863 0.030 . 2 . . . . 1173 LEU HD1 . 16441 1 1349 . 1 1 127 127 LEU HD13 H 1 0.863 0.030 . 2 . . . . 1173 LEU HD1 . 16441 1 1350 . 1 1 127 127 LEU HD21 H 1 0.927 0.030 . 2 . . . . 1173 LEU HD2 . 16441 1 1351 . 1 1 127 127 LEU HD22 H 1 0.927 0.030 . 2 . . . . 1173 LEU HD2 . 16441 1 1352 . 1 1 127 127 LEU HD23 H 1 0.927 0.030 . 2 . . . . 1173 LEU HD2 . 16441 1 1353 . 1 1 127 127 LEU HG H 1 1.614 0.030 . 1 . . . . 1173 LEU HG . 16441 1 1354 . 1 1 127 127 LEU C C 13 178.962 0.400 . 1 . . . . 1173 LEU C . 16441 1 1355 . 1 1 127 127 LEU CA C 13 56.694 0.400 . 1 . . . . 1173 LEU CA . 16441 1 1356 . 1 1 127 127 LEU CB C 13 42.487 0.400 . 1 . . . . 1173 LEU CB . 16441 1 1357 . 1 1 127 127 LEU CD1 C 13 23.853 0.400 . 1 . . . . 1173 LEU CD1 . 16441 1 1358 . 1 1 127 127 LEU CD2 C 13 25.364 0.400 . 1 . . . . 1173 LEU CD2 . 16441 1 1359 . 1 1 127 127 LEU CG C 13 27.742 0.400 . 1 . . . . 1173 LEU CG . 16441 1 1360 . 1 1 127 127 LEU N N 15 119.539 0.400 . 1 . . . . 1173 LEU N . 16441 1 1361 . 1 1 128 128 ASN H H 1 8.249 0.030 . 1 . . . . 1174 ASN H . 16441 1 1362 . 1 1 128 128 ASN HA H 1 4.737 0.030 . 1 . . . . 1174 ASN HA . 16441 1 1363 . 1 1 128 128 ASN HB2 H 1 2.874 0.030 . 2 . . . . 1174 ASN HB2 . 16441 1 1364 . 1 1 128 128 ASN HB3 H 1 2.753 0.030 . 2 . . . . 1174 ASN HB3 . 16441 1 1365 . 1 1 128 128 ASN HD21 H 1 7.550 0.030 . 2 . . . . 1174 ASN HD21 . 16441 1 1366 . 1 1 128 128 ASN HD22 H 1 7.094 0.030 . 2 . . . . 1174 ASN HD22 . 16441 1 1367 . 1 1 128 128 ASN C C 13 175.206 0.400 . 1 . . . . 1174 ASN C . 16441 1 1368 . 1 1 128 128 ASN CA C 13 54.752 0.400 . 1 . . . . 1174 ASN CA . 16441 1 1369 . 1 1 128 128 ASN CB C 13 38.893 0.400 . 1 . . . . 1174 ASN CB . 16441 1 1370 . 1 1 128 128 ASN N N 15 118.853 0.400 . 1 . . . . 1174 ASN N . 16441 1 1371 . 1 1 128 128 ASN ND2 N 15 113.357 0.400 . 1 . . . . 1174 ASN ND2 . 16441 1 1372 . 1 1 129 129 ALA H H 1 7.756 0.030 . 1 . . . . 1175 ALA H . 16441 1 1373 . 1 1 129 129 ALA HA H 1 4.408 0.030 . 1 . . . . 1175 ALA HA . 16441 1 1374 . 1 1 129 129 ALA HB1 H 1 1.466 0.030 . 1 . . . . 1175 ALA HB . 16441 1 1375 . 1 1 129 129 ALA HB2 H 1 1.466 0.030 . 1 . . . . 1175 ALA HB . 16441 1 1376 . 1 1 129 129 ALA HB3 H 1 1.466 0.030 . 1 . . . . 1175 ALA HB . 16441 1 1377 . 1 1 129 129 ALA C C 13 177.332 0.400 . 1 . . . . 1175 ALA C . 16441 1 1378 . 1 1 129 129 ALA CA C 13 52.554 0.400 . 1 . . . . 1175 ALA CA . 16441 1 1379 . 1 1 129 129 ALA CB C 13 19.507 0.400 . 1 . . . . 1175 ALA CB . 16441 1 1380 . 1 1 129 129 ALA N N 15 121.000 0.400 . 1 . . . . 1175 ALA N . 16441 1 1381 . 1 1 130 130 GLN H H 1 7.811 0.030 . 1 . . . . 1176 GLN H . 16441 1 1382 . 1 1 130 130 GLN HA H 1 3.982 0.030 . 1 . . . . 1176 GLN HA . 16441 1 1383 . 1 1 130 130 GLN HB2 H 1 2.107 0.030 . 2 . . . . 1176 GLN HB2 . 16441 1 1384 . 1 1 130 130 GLN HB3 H 1 1.720 0.030 . 2 . . . . 1176 GLN HB3 . 16441 1 1385 . 1 1 130 130 GLN HE21 H 1 6.638 0.030 . 2 . . . . 1176 GLN HE21 . 16441 1 1386 . 1 1 130 130 GLN HE22 H 1 7.562 0.030 . 2 . . . . 1176 GLN HE22 . 16441 1 1387 . 1 1 130 130 GLN HG2 H 1 1.792 0.030 . 2 . . . . 1176 GLN HG2 . 16441 1 1388 . 1 1 130 130 GLN HG3 H 1 2.106 0.030 . 2 . . . . 1176 GLN HG3 . 16441 1 1389 . 1 1 130 130 GLN C C 13 175.832 0.400 . 1 . . . . 1176 GLN C . 16441 1 1390 . 1 1 130 130 GLN CA C 13 57.012 0.400 . 1 . . . . 1176 GLN CA . 16441 1 1391 . 1 1 130 130 GLN CB C 13 29.177 0.400 . 1 . . . . 1176 GLN CB . 16441 1 1392 . 1 1 130 130 GLN CG C 13 33.581 0.400 . 1 . . . . 1176 GLN CG . 16441 1 1393 . 1 1 130 130 GLN N N 15 121.210 0.400 . 1 . . . . 1176 GLN N . 16441 1 1394 . 1 1 130 130 GLN NE2 N 15 112.129 0.400 . 1 . . . . 1176 GLN NE2 . 16441 1 1395 . 1 1 131 131 GLN H H 1 8.635 0.030 . 1 . . . . 1177 GLN H . 16441 1 1396 . 1 1 131 131 GLN HA H 1 5.184 0.030 . 1 . . . . 1177 GLN HA . 16441 1 1397 . 1 1 131 131 GLN HB2 H 1 1.892 0.030 . 2 . . . . 1177 GLN HB2 . 16441 1 1398 . 1 1 131 131 GLN HB3 H 1 1.769 0.030 . 2 . . . . 1177 GLN HB3 . 16441 1 1399 . 1 1 131 131 GLN HE21 H 1 7.550 0.030 . 2 . . . . 1177 GLN HE21 . 16441 1 1400 . 1 1 131 131 GLN HE22 H 1 6.693 0.030 . 2 . . . . 1177 GLN HE22 . 16441 1 1401 . 1 1 131 131 GLN HG2 H 1 2.390 0.030 . 2 . . . . 1177 GLN HG2 . 16441 1 1402 . 1 1 131 131 GLN HG3 H 1 2.000 0.030 . 2 . . . . 1177 GLN HG3 . 16441 1 1403 . 1 1 131 131 GLN C C 13 174.953 0.400 . 1 . . . . 1177 GLN C . 16441 1 1404 . 1 1 131 131 GLN CA C 13 54.080 0.400 . 1 . . . . 1177 GLN CA . 16441 1 1405 . 1 1 131 131 GLN CB C 13 31.156 0.400 . 1 . . . . 1177 GLN CB . 16441 1 1406 . 1 1 131 131 GLN CG C 13 34.238 0.400 . 1 . . . . 1177 GLN CG . 16441 1 1407 . 1 1 131 131 GLN N N 15 125.189 0.400 . 1 . . . . 1177 GLN N . 16441 1 1408 . 1 1 131 131 GLN NE2 N 15 109.988 0.400 . 1 . . . . 1177 GLN NE2 . 16441 1 1409 . 1 1 132 132 TYR H H 1 9.232 0.030 . 1 . . . . 1178 TYR H . 16441 1 1410 . 1 1 132 132 TYR HA H 1 5.003 0.030 . 1 . . . . 1178 TYR HA . 16441 1 1411 . 1 1 132 132 TYR HB2 H 1 2.738 0.030 . 2 . . . . 1178 TYR HB2 . 16441 1 1412 . 1 1 132 132 TYR HB3 H 1 2.615 0.030 . 2 . . . . 1178 TYR HB3 . 16441 1 1413 . 1 1 132 132 TYR HD1 H 1 7.025 0.030 . 1 . . . . 1178 TYR HD1 . 16441 1 1414 . 1 1 132 132 TYR HD2 H 1 7.025 0.030 . 1 . . . . 1178 TYR HD2 . 16441 1 1415 . 1 1 132 132 TYR HE1 H 1 6.713 0.030 . 1 . . . . 1178 TYR HE1 . 16441 1 1416 . 1 1 132 132 TYR HE2 H 1 6.713 0.030 . 1 . . . . 1178 TYR HE2 . 16441 1 1417 . 1 1 132 132 TYR C C 13 175.336 0.400 . 1 . . . . 1178 TYR C . 16441 1 1418 . 1 1 132 132 TYR CA C 13 57.280 0.400 . 1 . . . . 1178 TYR CA . 16441 1 1419 . 1 1 132 132 TYR CB C 13 40.820 0.400 . 1 . . . . 1178 TYR CB . 16441 1 1420 . 1 1 132 132 TYR N N 15 123.391 0.400 . 1 . . . . 1178 TYR N . 16441 1 1421 . 1 1 133 133 LYS H H 1 9.351 0.030 . 1 . . . . 1179 LYS H . 16441 1 1422 . 1 1 133 133 LYS HA H 1 5.022 0.030 . 1 . . . . 1179 LYS HA . 16441 1 1423 . 1 1 133 133 LYS HB2 H 1 2.009 0.030 . 2 . . . . 1179 LYS HB2 . 16441 1 1424 . 1 1 133 133 LYS HB3 H 1 1.869 0.030 . 2 . . . . 1179 LYS HB3 . 16441 1 1425 . 1 1 133 133 LYS HD2 H 1 1.682 0.030 . 2 . . . . 1179 LYS HD2 . 16441 1 1426 . 1 1 133 133 LYS HD3 H 1 1.682 0.030 . 2 . . . . 1179 LYS HD3 . 16441 1 1427 . 1 1 133 133 LYS HG2 H 1 1.542 0.030 . 2 . . . . 1179 LYS HG2 . 16441 1 1428 . 1 1 133 133 LYS HG3 H 1 1.310 0.030 . 2 . . . . 1179 LYS HG3 . 16441 1 1429 . 1 1 133 133 LYS C C 13 176.093 0.400 . 1 . . . . 1179 LYS C . 16441 1 1430 . 1 1 133 133 LYS CA C 13 58.143 0.400 . 1 . . . . 1179 LYS CA . 16441 1 1431 . 1 1 133 133 LYS CB C 13 33.638 0.400 . 1 . . . . 1179 LYS CB . 16441 1 1432 . 1 1 133 133 LYS CD C 13 29.943 0.400 . 1 . . . . 1179 LYS CD . 16441 1 1433 . 1 1 133 133 LYS CG C 13 25.984 0.400 . 1 . . . . 1179 LYS CG . 16441 1 1434 . 1 1 133 133 LYS N N 15 126.160 0.400 . 1 . . . . 1179 LYS N . 16441 1 1435 . 1 1 134 134 VAL H H 1 9.150 0.030 . 1 . . . . 1180 VAL H . 16441 1 1436 . 1 1 134 134 VAL HA H 1 5.026 0.030 . 1 . . . . 1180 VAL HA . 16441 1 1437 . 1 1 134 134 VAL HB H 1 2.138 0.030 . 1 . . . . 1180 VAL HB . 16441 1 1438 . 1 1 134 134 VAL HG11 H 1 0.828 0.030 . 2 . . . . 1180 VAL HG1 . 16441 1 1439 . 1 1 134 134 VAL HG12 H 1 0.828 0.030 . 2 . . . . 1180 VAL HG1 . 16441 1 1440 . 1 1 134 134 VAL HG13 H 1 0.828 0.030 . 2 . . . . 1180 VAL HG1 . 16441 1 1441 . 1 1 134 134 VAL HG21 H 1 0.743 0.030 . 2 . . . . 1180 VAL HG2 . 16441 1 1442 . 1 1 134 134 VAL HG22 H 1 0.743 0.030 . 2 . . . . 1180 VAL HG2 . 16441 1 1443 . 1 1 134 134 VAL HG23 H 1 0.743 0.030 . 2 . . . . 1180 VAL HG2 . 16441 1 1444 . 1 1 134 134 VAL C C 13 174.448 0.400 . 1 . . . . 1180 VAL C . 16441 1 1445 . 1 1 134 134 VAL CA C 13 62.122 0.400 . 1 . . . . 1180 VAL CA . 16441 1 1446 . 1 1 134 134 VAL CB C 13 35.048 0.400 . 1 . . . . 1180 VAL CB . 16441 1 1447 . 1 1 134 134 VAL CG1 C 13 23.416 0.400 . 1 . . . . 1180 VAL CG1 . 16441 1 1448 . 1 1 134 134 VAL CG2 C 13 21.611 0.400 . 1 . . . . 1180 VAL CG2 . 16441 1 1449 . 1 1 134 134 VAL N N 15 127.412 0.400 . 1 . . . . 1180 VAL N . 16441 1 1450 . 1 1 135 135 LEU H H 1 8.736 0.030 . 1 . . . . 1181 LEU H . 16441 1 1451 . 1 1 135 135 LEU HA H 1 5.268 0.030 . 1 . . . . 1181 LEU HA . 16441 1 1452 . 1 1 135 135 LEU HB2 H 1 1.529 0.030 . 2 . . . . 1181 LEU HB2 . 16441 1 1453 . 1 1 135 135 LEU HB3 H 1 1.002 0.030 . 2 . . . . 1181 LEU HB3 . 16441 1 1454 . 1 1 135 135 LEU HD11 H 1 0.636 0.030 . 2 . . . . 1181 LEU HD1 . 16441 1 1455 . 1 1 135 135 LEU HD12 H 1 0.636 0.030 . 2 . . . . 1181 LEU HD1 . 16441 1 1456 . 1 1 135 135 LEU HD13 H 1 0.636 0.030 . 2 . . . . 1181 LEU HD1 . 16441 1 1457 . 1 1 135 135 LEU HD21 H 1 0.404 0.030 . 2 . . . . 1181 LEU HD2 . 16441 1 1458 . 1 1 135 135 LEU HD22 H 1 0.404 0.030 . 2 . . . . 1181 LEU HD2 . 16441 1 1459 . 1 1 135 135 LEU HD23 H 1 0.404 0.030 . 2 . . . . 1181 LEU HD2 . 16441 1 1460 . 1 1 135 135 LEU HG H 1 1.455 0.030 . 1 . . . . 1181 LEU HG . 16441 1 1461 . 1 1 135 135 LEU C C 13 176.390 0.400 . 1 . . . . 1181 LEU C . 16441 1 1462 . 1 1 135 135 LEU CA C 13 53.901 0.400 . 1 . . . . 1181 LEU CA . 16441 1 1463 . 1 1 135 135 LEU CB C 13 46.893 0.400 . 1 . . . . 1181 LEU CB . 16441 1 1464 . 1 1 135 135 LEU CD1 C 13 23.619 0.400 . 1 . . . . 1181 LEU CD1 . 16441 1 1465 . 1 1 135 135 LEU CD2 C 13 25.884 0.400 . 1 . . . . 1181 LEU CD2 . 16441 1 1466 . 1 1 135 135 LEU CG C 13 27.578 0.400 . 1 . . . . 1181 LEU CG . 16441 1 1467 . 1 1 135 135 LEU N N 15 125.911 0.400 . 1 . . . . 1181 LEU N . 16441 1 1468 . 1 1 136 136 ILE H H 1 7.947 0.030 . 1 . . . . 1182 ILE H . 16441 1 1469 . 1 1 136 136 ILE HA H 1 5.523 0.030 . 1 . . . . 1182 ILE HA . 16441 1 1470 . 1 1 136 136 ILE HB H 1 1.522 0.030 . 1 . . . . 1182 ILE HB . 16441 1 1471 . 1 1 136 136 ILE HD11 H 1 0.900 0.030 . 1 . . . . 1182 ILE HD1 . 16441 1 1472 . 1 1 136 136 ILE HD12 H 1 0.900 0.030 . 1 . . . . 1182 ILE HD1 . 16441 1 1473 . 1 1 136 136 ILE HD13 H 1 0.900 0.030 . 1 . . . . 1182 ILE HD1 . 16441 1 1474 . 1 1 136 136 ILE HG12 H 1 1.732 0.030 . 2 . . . . 1182 ILE HG12 . 16441 1 1475 . 1 1 136 136 ILE HG13 H 1 1.095 0.030 . 2 . . . . 1182 ILE HG13 . 16441 1 1476 . 1 1 136 136 ILE HG21 H 1 0.927 0.030 . 1 . . . . 1182 ILE HG2 . 16441 1 1477 . 1 1 136 136 ILE HG22 H 1 0.927 0.030 . 1 . . . . 1182 ILE HG2 . 16441 1 1478 . 1 1 136 136 ILE HG23 H 1 0.927 0.030 . 1 . . . . 1182 ILE HG2 . 16441 1 1479 . 1 1 136 136 ILE CA C 13 60.304 0.400 . 1 . . . . 1182 ILE CA . 16441 1 1480 . 1 1 136 136 ILE CB C 13 41.764 0.400 . 1 . . . . 1182 ILE CB . 16441 1 1481 . 1 1 136 136 ILE CD1 C 13 15.734 0.400 . 1 . . . . 1182 ILE CD1 . 16441 1 1482 . 1 1 136 136 ILE CG1 C 13 28.378 0.400 . 1 . . . . 1182 ILE CG1 . 16441 1 1483 . 1 1 136 136 ILE CG2 C 13 18.424 0.400 . 1 . . . . 1182 ILE CG2 . 16441 1 1484 . 1 1 136 136 ILE N N 15 119.037 0.400 . 1 . . . . 1182 ILE N . 16441 1 1485 . 1 1 137 137 GLY H H 1 8.972 0.030 . 1 . . . . 1183 GLY H . 16441 1 1486 . 1 1 137 137 GLY HA2 H 1 5.011 0.030 . 2 . . . . 1183 GLY HA2 . 16441 1 1487 . 1 1 137 137 GLY HA3 H 1 4.483 0.030 . 2 . . . . 1183 GLY HA3 . 16441 1 1488 . 1 1 137 137 GLY C C 13 171.246 0.400 . 1 . . . . 1183 GLY C . 16441 1 1489 . 1 1 137 137 GLY CA C 13 47.275 0.400 . 1 . . . . 1183 GLY CA . 16441 1 1490 . 1 1 137 137 GLY N N 15 113.623 0.400 . 1 . . . . 1183 GLY N . 16441 1 1491 . 1 1 138 138 ASN H H 1 8.079 0.030 . 1 . . . . 1184 ASN H . 16441 1 1492 . 1 1 138 138 ASN HA H 1 4.931 0.030 . 1 . . . . 1184 ASN HA . 16441 1 1493 . 1 1 138 138 ASN HB2 H 1 3.685 0.030 . 2 . . . . 1184 ASN HB2 . 16441 1 1494 . 1 1 138 138 ASN HB3 H 1 3.443 0.030 . 2 . . . . 1184 ASN HB3 . 16441 1 1495 . 1 1 138 138 ASN C C 13 174.833 0.400 . 1 . . . . 1184 ASN C . 16441 1 1496 . 1 1 138 138 ASN CA C 13 52.106 0.400 . 1 . . . . 1184 ASN CA . 16441 1 1497 . 1 1 138 138 ASN CB C 13 39.668 0.400 . 1 . . . . 1184 ASN CB . 16441 1 1498 . 1 1 138 138 ASN N N 15 119.625 0.400 . 1 . . . . 1184 ASN N . 16441 1 1499 . 1 1 138 138 ASN ND2 N 15 109.318 0.400 . 1 . . . . 1184 ASN ND2 . 16441 1 1500 . 1 1 139 139 ARG H H 1 8.486 0.030 . 1 . . . . 1185 ARG H . 16441 1 1501 . 1 1 139 139 ARG HA H 1 3.984 0.030 . 1 . . . . 1185 ARG HA . 16441 1 1502 . 1 1 139 139 ARG HB2 H 1 1.904 0.030 . 2 . . . . 1185 ARG HB2 . 16441 1 1503 . 1 1 139 139 ARG HB3 H 1 1.904 0.030 . 2 . . . . 1185 ARG HB3 . 16441 1 1504 . 1 1 139 139 ARG C C 13 176.909 0.400 . 1 . . . . 1185 ARG C . 16441 1 1505 . 1 1 139 139 ARG CA C 13 60.066 0.400 . 1 . . . . 1185 ARG CA . 16441 1 1506 . 1 1 139 139 ARG CB C 13 30.662 0.400 . 1 . . . . 1185 ARG CB . 16441 1 1507 . 1 1 139 139 ARG N N 15 115.843 0.400 . 1 . . . . 1185 ARG N . 16441 1 1508 . 1 1 140 140 GLU H H 1 8.532 0.030 . 1 . . . . 1186 GLU H . 16441 1 1509 . 1 1 140 140 GLU HA H 1 3.984 0.030 . 1 . . . . 1186 GLU HA . 16441 1 1510 . 1 1 140 140 GLU HB2 H 1 2.938 0.030 . 2 . . . . 1186 GLU HB2 . 16441 1 1511 . 1 1 140 140 GLU HB3 H 1 2.829 0.030 . 2 . . . . 1186 GLU HB3 . 16441 1 1512 . 1 1 140 140 GLU HG2 H 1 3.200 0.030 . 2 . . . . 1186 GLU HG2 . 16441 1 1513 . 1 1 140 140 GLU HG3 H 1 3.079 0.030 . 2 . . . . 1186 GLU HG3 . 16441 1 1514 . 1 1 140 140 GLU C C 13 176.785 0.400 . 1 . . . . 1186 GLU C . 16441 1 1515 . 1 1 140 140 GLU CA C 13 60.727 0.400 . 1 . . . . 1186 GLU CA . 16441 1 1516 . 1 1 140 140 GLU CB C 13 30.482 0.400 . 1 . . . . 1186 GLU CB . 16441 1 1517 . 1 1 140 140 GLU CG C 13 31.686 0.400 . 1 . . . . 1186 GLU CG . 16441 1 1518 . 1 1 140 140 GLU N N 15 115.311 0.400 . 1 . . . . 1186 GLU N . 16441 1 1519 . 1 1 141 141 TRP H H 1 7.834 0.030 . 1 . . . . 1187 TRP H . 16441 1 1520 . 1 1 141 141 TRP HA H 1 3.906 0.030 . 1 . . . . 1187 TRP HA . 16441 1 1521 . 1 1 141 141 TRP HB2 H 1 2.916 0.030 . 2 . . . . 1187 TRP HB2 . 16441 1 1522 . 1 1 141 141 TRP HB3 H 1 2.916 0.030 . 2 . . . . 1187 TRP HB3 . 16441 1 1523 . 1 1 141 141 TRP HD1 H 1 6.930 0.030 . 1 . . . . 1187 TRP HD1 . 16441 1 1524 . 1 1 141 141 TRP HE3 H 1 6.744 0.030 . 1 . . . . 1187 TRP HE3 . 16441 1 1525 . 1 1 141 141 TRP C C 13 178.182 0.400 . 1 . . . . 1187 TRP C . 16441 1 1526 . 1 1 141 141 TRP CA C 13 60.742 0.400 . 1 . . . . 1187 TRP CA . 16441 1 1527 . 1 1 141 141 TRP CB C 13 30.287 0.400 . 1 . . . . 1187 TRP CB . 16441 1 1528 . 1 1 141 141 TRP N N 15 119.783 0.400 . 1 . . . . 1187 TRP N . 16441 1 1529 . 1 1 142 142 MET H H 1 9.222 0.030 . 1 . . . . 1188 MET H . 16441 1 1530 . 1 1 142 142 MET HA H 1 3.961 0.030 . 1 . . . . 1188 MET HA . 16441 1 1531 . 1 1 142 142 MET HB2 H 1 2.339 0.030 . 2 . . . . 1188 MET HB2 . 16441 1 1532 . 1 1 142 142 MET HB3 H 1 2.339 0.030 . 2 . . . . 1188 MET HB3 . 16441 1 1533 . 1 1 142 142 MET HE1 H 1 1.767 0.030 . 1 . . . . 1188 MET HE . 16441 1 1534 . 1 1 142 142 MET HE2 H 1 1.767 0.030 . 1 . . . . 1188 MET HE . 16441 1 1535 . 1 1 142 142 MET HE3 H 1 1.767 0.030 . 1 . . . . 1188 MET HE . 16441 1 1536 . 1 1 142 142 MET CA C 13 58.218 0.400 . 1 . . . . 1188 MET CA . 16441 1 1537 . 1 1 142 142 MET CB C 13 34.478 0.400 . 1 . . . . 1188 MET CB . 16441 1 1538 . 1 1 142 142 MET CE C 13 21.144 0.400 . 1 . . . . 1188 MET CE . 16441 1 1539 . 1 1 142 142 MET N N 15 127.487 0.400 . 1 . . . . 1188 MET N . 16441 1 1540 . 1 1 143 143 ILE H H 1 8.402 0.030 . 1 . . . . 1189 ILE H . 16441 1 1541 . 1 1 143 143 ILE HA H 1 3.941 0.030 . 1 . . . . 1189 ILE HA . 16441 1 1542 . 1 1 143 143 ILE HB H 1 1.904 0.030 . 1 . . . . 1189 ILE HB . 16441 1 1543 . 1 1 143 143 ILE HD11 H 1 0.844 0.030 . 1 . . . . 1189 ILE HD1 . 16441 1 1544 . 1 1 143 143 ILE HD12 H 1 0.844 0.030 . 1 . . . . 1189 ILE HD1 . 16441 1 1545 . 1 1 143 143 ILE HD13 H 1 0.844 0.030 . 1 . . . . 1189 ILE HD1 . 16441 1 1546 . 1 1 143 143 ILE HG12 H 1 1.230 0.030 . 2 . . . . 1189 ILE HG12 . 16441 1 1547 . 1 1 143 143 ILE HG13 H 1 1.230 0.030 . 2 . . . . 1189 ILE HG13 . 16441 1 1548 . 1 1 143 143 ILE CA C 13 65.009 0.400 . 1 . . . . 1189 ILE CA . 16441 1 1549 . 1 1 143 143 ILE CB C 13 38.382 0.400 . 1 . . . . 1189 ILE CB . 16441 1 1550 . 1 1 143 143 ILE CD1 C 13 17.377 0.400 . 1 . . . . 1189 ILE CD1 . 16441 1 1551 . 1 1 143 143 ILE CG1 C 13 29.374 0.400 . 1 . . . . 1189 ILE CG1 . 16441 1 1552 . 1 1 143 143 ILE N N 15 111.737 0.400 . 1 . . . . 1189 ILE N . 16441 1 1553 . 1 1 144 144 ARG H H 1 8.933 0.030 . 1 . . . . 1190 ARG H . 16441 1 1554 . 1 1 144 144 ARG HA H 1 4.094 0.030 . 1 . . . . 1190 ARG HA . 16441 1 1555 . 1 1 144 144 ARG HB2 H 1 1.961 0.030 . 2 . . . . 1190 ARG HB2 . 16441 1 1556 . 1 1 144 144 ARG HB3 H 1 1.901 0.030 . 2 . . . . 1190 ARG HB3 . 16441 1 1557 . 1 1 144 144 ARG HD2 H 1 3.368 0.030 . 2 . . . . 1190 ARG HD2 . 16441 1 1558 . 1 1 144 144 ARG HD3 H 1 3.309 0.030 . 2 . . . . 1190 ARG HD3 . 16441 1 1559 . 1 1 144 144 ARG HG2 H 1 1.965 0.030 . 2 . . . . 1190 ARG HG2 . 16441 1 1560 . 1 1 144 144 ARG HG3 H 1 1.829 0.030 . 2 . . . . 1190 ARG HG3 . 16441 1 1561 . 1 1 144 144 ARG C C 13 177.217 0.400 . 1 . . . . 1190 ARG C . 16441 1 1562 . 1 1 144 144 ARG CA C 13 59.275 0.400 . 1 . . . . 1190 ARG CA . 16441 1 1563 . 1 1 144 144 ARG CB C 13 30.847 0.400 . 1 . . . . 1190 ARG CB . 16441 1 1564 . 1 1 144 144 ARG CD C 13 44.539 0.400 . 1 . . . . 1190 ARG CD . 16441 1 1565 . 1 1 144 144 ARG CG C 13 27.716 0.400 . 1 . . . . 1190 ARG CG . 16441 1 1566 . 1 1 144 144 ARG N N 15 122.401 0.400 . 1 . . . . 1190 ARG N . 16441 1 1567 . 1 1 145 145 ASN H H 1 6.978 0.030 . 1 . . . . 1191 ASN H . 16441 1 1568 . 1 1 145 145 ASN HA H 1 4.430 0.030 . 1 . . . . 1191 ASN HA . 16441 1 1569 . 1 1 145 145 ASN HB2 H 1 2.604 0.030 . 2 . . . . 1191 ASN HB2 . 16441 1 1570 . 1 1 145 145 ASN HB3 H 1 2.530 0.030 . 2 . . . . 1191 ASN HB3 . 16441 1 1571 . 1 1 145 145 ASN C C 13 173.646 0.400 . 1 . . . . 1191 ASN C . 16441 1 1572 . 1 1 145 145 ASN CA C 13 54.956 0.400 . 1 . . . . 1191 ASN CA . 16441 1 1573 . 1 1 145 145 ASN CB C 13 39.628 0.400 . 1 . . . . 1191 ASN CB . 16441 1 1574 . 1 1 145 145 ASN N N 15 114.952 0.400 . 1 . . . . 1191 ASN N . 16441 1 1575 . 1 1 146 146 GLY H H 1 7.876 0.030 . 1 . . . . 1192 GLY H . 16441 1 1576 . 1 1 146 146 GLY HA2 H 1 4.038 0.030 . 2 . . . . 1192 GLY HA2 . 16441 1 1577 . 1 1 146 146 GLY HA3 H 1 3.708 0.030 . 2 . . . . 1192 GLY HA3 . 16441 1 1578 . 1 1 146 146 GLY C C 13 173.819 0.400 . 1 . . . . 1192 GLY C . 16441 1 1579 . 1 1 146 146 GLY CA C 13 46.176 0.400 . 1 . . . . 1192 GLY CA . 16441 1 1580 . 1 1 146 146 GLY N N 15 107.046 0.400 . 1 . . . . 1192 GLY N . 16441 1 1581 . 1 1 147 147 LEU H H 1 7.632 0.030 . 1 . . . . 1193 LEU H . 16441 1 1582 . 1 1 147 147 LEU HA H 1 4.424 0.030 . 1 . . . . 1193 LEU HA . 16441 1 1583 . 1 1 147 147 LEU HB2 H 1 1.195 0.030 . 2 . . . . 1193 LEU HB2 . 16441 1 1584 . 1 1 147 147 LEU HB3 H 1 1.195 0.030 . 2 . . . . 1193 LEU HB3 . 16441 1 1585 . 1 1 147 147 LEU HD11 H 1 0.634 0.030 . 2 . . . . 1193 LEU HD1 . 16441 1 1586 . 1 1 147 147 LEU HD12 H 1 0.634 0.030 . 2 . . . . 1193 LEU HD1 . 16441 1 1587 . 1 1 147 147 LEU HD13 H 1 0.634 0.030 . 2 . . . . 1193 LEU HD1 . 16441 1 1588 . 1 1 147 147 LEU HD21 H 1 0.633 0.030 . 2 . . . . 1193 LEU HD2 . 16441 1 1589 . 1 1 147 147 LEU HD22 H 1 0.633 0.030 . 2 . . . . 1193 LEU HD2 . 16441 1 1590 . 1 1 147 147 LEU HD23 H 1 0.633 0.030 . 2 . . . . 1193 LEU HD2 . 16441 1 1591 . 1 1 147 147 LEU HG H 1 1.392 0.030 . 1 . . . . 1193 LEU HG . 16441 1 1592 . 1 1 147 147 LEU C C 13 175.352 0.400 . 1 . . . . 1193 LEU C . 16441 1 1593 . 1 1 147 147 LEU CA C 13 54.272 0.400 . 1 . . . . 1193 LEU CA . 16441 1 1594 . 1 1 147 147 LEU CB C 13 41.914 0.400 . 1 . . . . 1193 LEU CB . 16441 1 1595 . 1 1 147 147 LEU CD1 C 13 26.481 0.400 . 1 . . . . 1193 LEU CD1 . 16441 1 1596 . 1 1 147 147 LEU CD2 C 13 24.652 0.400 . 1 . . . . 1193 LEU CD2 . 16441 1 1597 . 1 1 147 147 LEU CG C 13 28.245 0.400 . 1 . . . . 1193 LEU CG . 16441 1 1598 . 1 1 147 147 LEU N N 15 121.563 0.400 . 1 . . . . 1193 LEU N . 16441 1 1599 . 1 1 148 148 VAL H H 1 7.869 0.030 . 1 . . . . 1194 VAL H . 16441 1 1600 . 1 1 148 148 VAL HA H 1 3.970 0.030 . 1 . . . . 1194 VAL HA . 16441 1 1601 . 1 1 148 148 VAL HB H 1 1.876 0.030 . 1 . . . . 1194 VAL HB . 16441 1 1602 . 1 1 148 148 VAL HG11 H 1 0.904 0.030 . 2 . . . . 1194 VAL HG1 . 16441 1 1603 . 1 1 148 148 VAL HG12 H 1 0.904 0.030 . 2 . . . . 1194 VAL HG1 . 16441 1 1604 . 1 1 148 148 VAL HG13 H 1 0.904 0.030 . 2 . . . . 1194 VAL HG1 . 16441 1 1605 . 1 1 148 148 VAL HG21 H 1 0.813 0.030 . 2 . . . . 1194 VAL HG2 . 16441 1 1606 . 1 1 148 148 VAL HG22 H 1 0.813 0.030 . 2 . . . . 1194 VAL HG2 . 16441 1 1607 . 1 1 148 148 VAL HG23 H 1 0.813 0.030 . 2 . . . . 1194 VAL HG2 . 16441 1 1608 . 1 1 148 148 VAL C C 13 175.460 0.400 . 1 . . . . 1194 VAL C . 16441 1 1609 . 1 1 148 148 VAL CA C 13 62.017 0.400 . 1 . . . . 1194 VAL CA . 16441 1 1610 . 1 1 148 148 VAL CB C 13 34.016 0.400 . 1 . . . . 1194 VAL CB . 16441 1 1611 . 1 1 148 148 VAL CG1 C 13 21.758 0.400 . 1 . . . . 1194 VAL CG1 . 16441 1 1612 . 1 1 148 148 VAL CG2 C 13 21.303 0.400 . 1 . . . . 1194 VAL CG2 . 16441 1 1613 . 1 1 148 148 VAL N N 15 119.076 0.400 . 1 . . . . 1194 VAL N . 16441 1 1614 . 1 1 149 149 ILE H H 1 8.488 0.030 . 1 . . . . 1195 ILE H . 16441 1 1615 . 1 1 149 149 ILE HA H 1 3.989 0.030 . 1 . . . . 1195 ILE HA . 16441 1 1616 . 1 1 149 149 ILE HB H 1 1.928 0.030 . 1 . . . . 1195 ILE HB . 16441 1 1617 . 1 1 149 149 ILE HD11 H 1 0.790 0.030 . 1 . . . . 1195 ILE HD1 . 16441 1 1618 . 1 1 149 149 ILE HD12 H 1 0.790 0.030 . 1 . . . . 1195 ILE HD1 . 16441 1 1619 . 1 1 149 149 ILE HD13 H 1 0.790 0.030 . 1 . . . . 1195 ILE HD1 . 16441 1 1620 . 1 1 149 149 ILE HG12 H 1 1.351 0.030 . 2 . . . . 1195 ILE HG12 . 16441 1 1621 . 1 1 149 149 ILE HG13 H 1 1.071 0.030 . 2 . . . . 1195 ILE HG13 . 16441 1 1622 . 1 1 149 149 ILE HG21 H 1 0.846 0.030 . 1 . . . . 1195 ILE HG2 . 16441 1 1623 . 1 1 149 149 ILE HG22 H 1 0.846 0.030 . 1 . . . . 1195 ILE HG2 . 16441 1 1624 . 1 1 149 149 ILE HG23 H 1 0.846 0.030 . 1 . . . . 1195 ILE HG2 . 16441 1 1625 . 1 1 149 149 ILE C C 13 175.401 0.400 . 1 . . . . 1195 ILE C . 16441 1 1626 . 1 1 149 149 ILE CA C 13 60.181 0.400 . 1 . . . . 1195 ILE CA . 16441 1 1627 . 1 1 149 149 ILE CB C 13 37.122 0.400 . 1 . . . . 1195 ILE CB . 16441 1 1628 . 1 1 149 149 ILE CD1 C 13 13.115 0.400 . 1 . . . . 1195 ILE CD1 . 16441 1 1629 . 1 1 149 149 ILE CG1 C 13 27.319 0.400 . 1 . . . . 1195 ILE CG1 . 16441 1 1630 . 1 1 149 149 ILE CG2 C 13 17.613 0.400 . 1 . . . . 1195 ILE CG2 . 16441 1 1631 . 1 1 149 149 ILE N N 15 127.102 0.400 . 1 . . . . 1195 ILE N . 16441 1 1632 . 1 1 150 150 ASN H H 1 8.721 0.030 . 1 . . . . 1196 ASN H . 16441 1 1633 . 1 1 150 150 ASN HA H 1 4.665 0.030 . 1 . . . . 1196 ASN HA . 16441 1 1634 . 1 1 150 150 ASN HB2 H 1 3.200 0.030 . 2 . . . . 1196 ASN HB2 . 16441 1 1635 . 1 1 150 150 ASN HB3 H 1 2.905 0.030 . 2 . . . . 1196 ASN HB3 . 16441 1 1636 . 1 1 150 150 ASN HD21 H 1 6.944 0.030 . 2 . . . . 1196 ASN HD21 . 16441 1 1637 . 1 1 150 150 ASN HD22 H 1 7.662 0.030 . 2 . . . . 1196 ASN HD22 . 16441 1 1638 . 1 1 150 150 ASN C C 13 175.278 0.400 . 1 . . . . 1196 ASN C . 16441 1 1639 . 1 1 150 150 ASN CA C 13 52.817 0.400 . 1 . . . . 1196 ASN CA . 16441 1 1640 . 1 1 150 150 ASN CB C 13 39.199 0.400 . 1 . . . . 1196 ASN CB . 16441 1 1641 . 1 1 150 150 ASN N N 15 126.860 0.400 . 1 . . . . 1196 ASN N . 16441 1 1642 . 1 1 150 150 ASN ND2 N 15 111.912 0.400 . 1 . . . . 1196 ASN ND2 . 16441 1 1643 . 1 1 151 151 ASN H H 1 8.673 0.030 . 1 . . . . 1197 ASN H . 16441 1 1644 . 1 1 151 151 ASN HA H 1 4.349 0.030 . 1 . . . . 1197 ASN HA . 16441 1 1645 . 1 1 151 151 ASN HB2 H 1 2.904 0.030 . 2 . . . . 1197 ASN HB2 . 16441 1 1646 . 1 1 151 151 ASN HB3 H 1 2.746 0.030 . 2 . . . . 1197 ASN HB3 . 16441 1 1647 . 1 1 151 151 ASN HD21 H 1 7.637 0.030 . 2 . . . . 1197 ASN HD21 . 16441 1 1648 . 1 1 151 151 ASN HD22 H 1 6.910 0.030 . 2 . . . . 1197 ASN HD22 . 16441 1 1649 . 1 1 151 151 ASN C C 13 176.589 0.400 . 1 . . . . 1197 ASN C . 16441 1 1650 . 1 1 151 151 ASN CA C 13 56.935 0.400 . 1 . . . . 1197 ASN CA . 16441 1 1651 . 1 1 151 151 ASN CB C 13 38.737 0.400 . 1 . . . . 1197 ASN CB . 16441 1 1652 . 1 1 151 151 ASN N N 15 117.106 0.400 . 1 . . . . 1197 ASN N . 16441 1 1653 . 1 1 151 151 ASN ND2 N 15 112.634 0.400 . 1 . . . . 1197 ASN ND2 . 16441 1 1654 . 1 1 152 152 ASP H H 1 8.217 0.030 . 1 . . . . 1198 ASP H . 16441 1 1655 . 1 1 152 152 ASP HA H 1 4.185 0.030 . 1 . . . . 1198 ASP HA . 16441 1 1656 . 1 1 152 152 ASP HB2 H 1 2.535 0.030 . 2 . . . . 1198 ASP HB2 . 16441 1 1657 . 1 1 152 152 ASP HB3 H 1 2.607 0.030 . 2 . . . . 1198 ASP HB3 . 16441 1 1658 . 1 1 152 152 ASP C C 13 178.281 0.400 . 1 . . . . 1198 ASP C . 16441 1 1659 . 1 1 152 152 ASP CA C 13 56.853 0.400 . 1 . . . . 1198 ASP CA . 16441 1 1660 . 1 1 152 152 ASP CB C 13 39.217 0.400 . 1 . . . . 1198 ASP CB . 16441 1 1661 . 1 1 152 152 ASP N N 15 119.106 0.400 . 1 . . . . 1198 ASP N . 16441 1 1662 . 1 1 153 153 VAL H H 1 7.876 0.030 . 1 . . . . 1199 VAL H . 16441 1 1663 . 1 1 153 153 VAL HA H 1 3.573 0.030 . 1 . . . . 1199 VAL HA . 16441 1 1664 . 1 1 153 153 VAL HB H 1 2.146 0.030 . 1 . . . . 1199 VAL HB . 16441 1 1665 . 1 1 153 153 VAL HG11 H 1 1.161 0.030 . 2 . . . . 1199 VAL HG1 . 16441 1 1666 . 1 1 153 153 VAL HG12 H 1 1.161 0.030 . 2 . . . . 1199 VAL HG1 . 16441 1 1667 . 1 1 153 153 VAL HG13 H 1 1.161 0.030 . 2 . . . . 1199 VAL HG1 . 16441 1 1668 . 1 1 153 153 VAL HG21 H 1 0.974 0.030 . 2 . . . . 1199 VAL HG2 . 16441 1 1669 . 1 1 153 153 VAL HG22 H 1 0.974 0.030 . 2 . . . . 1199 VAL HG2 . 16441 1 1670 . 1 1 153 153 VAL HG23 H 1 0.974 0.030 . 2 . . . . 1199 VAL HG2 . 16441 1 1671 . 1 1 153 153 VAL C C 13 178.089 0.400 . 1 . . . . 1199 VAL C . 16441 1 1672 . 1 1 153 153 VAL CA C 13 67.190 0.400 . 1 . . . . 1199 VAL CA . 16441 1 1673 . 1 1 153 153 VAL CB C 13 31.481 0.400 . 1 . . . . 1199 VAL CB . 16441 1 1674 . 1 1 153 153 VAL CG1 C 13 24.021 0.400 . 1 . . . . 1199 VAL CG1 . 16441 1 1675 . 1 1 153 153 VAL CG2 C 13 23.356 0.400 . 1 . . . . 1199 VAL CG2 . 16441 1 1676 . 1 1 153 153 VAL N N 15 121.511 0.400 . 1 . . . . 1199 VAL N . 16441 1 1677 . 1 1 154 154 ASN H H 1 8.167 0.030 . 1 . . . . 1200 ASN H . 16441 1 1678 . 1 1 154 154 ASN HA H 1 4.351 0.030 . 1 . . . . 1200 ASN HA . 16441 1 1679 . 1 1 154 154 ASN HB2 H 1 2.918 0.030 . 2 . . . . 1200 ASN HB2 . 16441 1 1680 . 1 1 154 154 ASN HB3 H 1 2.738 0.030 . 2 . . . . 1200 ASN HB3 . 16441 1 1681 . 1 1 154 154 ASN HD21 H 1 6.899 0.030 . 2 . . . . 1200 ASN HD21 . 16441 1 1682 . 1 1 154 154 ASN HD22 H 1 7.870 0.030 . 2 . . . . 1200 ASN HD22 . 16441 1 1683 . 1 1 154 154 ASN C C 13 178.220 0.400 . 1 . . . . 1200 ASN C . 16441 1 1684 . 1 1 154 154 ASN CA C 13 57.585 0.400 . 1 . . . . 1200 ASN CA . 16441 1 1685 . 1 1 154 154 ASN CB C 13 38.903 0.400 . 1 . . . . 1200 ASN CB . 16441 1 1686 . 1 1 154 154 ASN N N 15 117.955 0.400 . 1 . . . . 1200 ASN N . 16441 1 1687 . 1 1 154 154 ASN ND2 N 15 115.403 0.400 . 1 . . . . 1200 ASN ND2 . 16441 1 1688 . 1 1 155 155 ASP H H 1 8.511 0.030 . 1 . . . . 1201 ASP H . 16441 1 1689 . 1 1 155 155 ASP HA H 1 4.411 0.030 . 1 . . . . 1201 ASP HA . 16441 1 1690 . 1 1 155 155 ASP HB2 H 1 2.734 0.030 . 2 . . . . 1201 ASP HB2 . 16441 1 1691 . 1 1 155 155 ASP HB3 H 1 2.605 0.030 . 2 . . . . 1201 ASP HB3 . 16441 1 1692 . 1 1 155 155 ASP C C 13 178.838 0.400 . 1 . . . . 1201 ASP C . 16441 1 1693 . 1 1 155 155 ASP CA C 13 57.133 0.400 . 1 . . . . 1201 ASP CA . 16441 1 1694 . 1 1 155 155 ASP CB C 13 39.736 0.400 . 1 . . . . 1201 ASP CB . 16441 1 1695 . 1 1 155 155 ASP N N 15 121.146 0.400 . 1 . . . . 1201 ASP N . 16441 1 1696 . 1 1 156 156 PHE H H 1 7.919 0.030 . 1 . . . . 1202 PHE H . 16441 1 1697 . 1 1 156 156 PHE HA H 1 4.553 0.030 . 1 . . . . 1202 PHE HA . 16441 1 1698 . 1 1 156 156 PHE HB2 H 1 3.238 0.030 . 2 . . . . 1202 PHE HB2 . 16441 1 1699 . 1 1 156 156 PHE HB3 H 1 3.238 0.030 . 2 . . . . 1202 PHE HB3 . 16441 1 1700 . 1 1 156 156 PHE HD1 H 1 7.186 0.030 . 1 . . . . 1202 PHE HD1 . 16441 1 1701 . 1 1 156 156 PHE HD2 H 1 7.186 0.030 . 1 . . . . 1202 PHE HD2 . 16441 1 1702 . 1 1 156 156 PHE HE1 H 1 7.288 0.030 . 1 . . . . 1202 PHE HE1 . 16441 1 1703 . 1 1 156 156 PHE HE2 H 1 7.288 0.030 . 1 . . . . 1202 PHE HE2 . 16441 1 1704 . 1 1 156 156 PHE C C 13 176.650 0.400 . 1 . . . . 1202 PHE C . 16441 1 1705 . 1 1 156 156 PHE CA C 13 59.677 0.400 . 1 . . . . 1202 PHE CA . 16441 1 1706 . 1 1 156 156 PHE CB C 13 39.400 0.400 . 1 . . . . 1202 PHE CB . 16441 1 1707 . 1 1 156 156 PHE N N 15 120.670 0.400 . 1 . . . . 1202 PHE N . 16441 1 1708 . 1 1 157 157 MET H H 1 8.378 0.030 . 1 . . . . 1203 MET H . 16441 1 1709 . 1 1 157 157 MET HA H 1 3.886 0.030 . 1 . . . . 1203 MET HA . 16441 1 1710 . 1 1 157 157 MET HB2 H 1 2.269 0.030 . 2 . . . . 1203 MET HB2 . 16441 1 1711 . 1 1 157 157 MET HB3 H 1 2.244 0.030 . 2 . . . . 1203 MET HB3 . 16441 1 1712 . 1 1 157 157 MET HE1 H 1 2.123 0.030 . 1 . . . . 1203 MET HE . 16441 1 1713 . 1 1 157 157 MET HE2 H 1 2.123 0.030 . 1 . . . . 1203 MET HE . 16441 1 1714 . 1 1 157 157 MET HE3 H 1 2.123 0.030 . 1 . . . . 1203 MET HE . 16441 1 1715 . 1 1 157 157 MET HG2 H 1 2.894 0.030 . 2 . . . . 1203 MET HG2 . 16441 1 1716 . 1 1 157 157 MET HG3 H 1 2.894 0.030 . 2 . . . . 1203 MET HG3 . 16441 1 1717 . 1 1 157 157 MET C C 13 177.969 0.400 . 1 . . . . 1203 MET C . 16441 1 1718 . 1 1 157 157 MET CA C 13 60.636 0.400 . 1 . . . . 1203 MET CA . 16441 1 1719 . 1 1 157 157 MET CB C 13 33.440 0.400 . 1 . . . . 1203 MET CB . 16441 1 1720 . 1 1 157 157 MET CE C 13 18.700 0.400 . 1 . . . . 1203 MET CE . 16441 1 1721 . 1 1 157 157 MET CG C 13 33.573 0.400 . 1 . . . . 1203 MET CG . 16441 1 1722 . 1 1 157 157 MET N N 15 117.982 0.400 . 1 . . . . 1203 MET N . 16441 1 1723 . 1 1 158 158 THR H H 1 8.683 0.030 . 1 . . . . 1204 THR H . 16441 1 1724 . 1 1 158 158 THR HA H 1 4.213 0.030 . 1 . . . . 1204 THR HA . 16441 1 1725 . 1 1 158 158 THR HB H 1 4.323 0.030 . 1 . . . . 1204 THR HB . 16441 1 1726 . 1 1 158 158 THR HG21 H 1 1.289 0.030 . 1 . . . . 1204 THR HG2 . 16441 1 1727 . 1 1 158 158 THR HG22 H 1 1.289 0.030 . 1 . . . . 1204 THR HG2 . 16441 1 1728 . 1 1 158 158 THR HG23 H 1 1.289 0.030 . 1 . . . . 1204 THR HG2 . 16441 1 1729 . 1 1 158 158 THR C C 13 176.333 0.400 . 1 . . . . 1204 THR C . 16441 1 1730 . 1 1 158 158 THR CA C 13 66.808 0.400 . 1 . . . . 1204 THR CA . 16441 1 1731 . 1 1 158 158 THR CB C 13 69.247 0.400 . 1 . . . . 1204 THR CB . 16441 1 1732 . 1 1 158 158 THR CG2 C 13 22.024 0.400 . 1 . . . . 1204 THR CG2 . 16441 1 1733 . 1 1 158 158 THR N N 15 115.674 0.400 . 1 . . . . 1204 THR N . 16441 1 1734 . 1 1 159 159 GLU H H 1 7.846 0.030 . 1 . . . . 1205 GLU H . 16441 1 1735 . 1 1 159 159 GLU HA H 1 3.985 0.030 . 1 . . . . 1205 GLU HA . 16441 1 1736 . 1 1 159 159 GLU HB2 H 1 2.038 0.030 . 2 . . . . 1205 GLU HB2 . 16441 1 1737 . 1 1 159 159 GLU HB3 H 1 1.841 0.030 . 2 . . . . 1205 GLU HB3 . 16441 1 1738 . 1 1 159 159 GLU HG2 H 1 2.429 0.030 . 2 . . . . 1205 GLU HG2 . 16441 1 1739 . 1 1 159 159 GLU HG3 H 1 2.292 0.030 . 2 . . . . 1205 GLU HG3 . 16441 1 1740 . 1 1 159 159 GLU C C 13 178.589 0.400 . 1 . . . . 1205 GLU C . 16441 1 1741 . 1 1 159 159 GLU CA C 13 59.875 0.400 . 1 . . . . 1205 GLU CA . 16441 1 1742 . 1 1 159 159 GLU CB C 13 28.614 0.400 . 1 . . . . 1205 GLU CB . 16441 1 1743 . 1 1 159 159 GLU CG C 13 36.136 0.400 . 1 . . . . 1205 GLU CG . 16441 1 1744 . 1 1 159 159 GLU N N 15 121.717 0.400 . 1 . . . . 1205 GLU N . 16441 1 1745 . 1 1 160 160 HIS H H 1 7.111 0.030 . 1 . . . . 1206 HIS H . 16441 1 1746 . 1 1 160 160 HIS HA H 1 4.236 0.030 . 1 . . . . 1206 HIS HA . 16441 1 1747 . 1 1 160 160 HIS HB2 H 1 2.681 0.030 . 2 . . . . 1206 HIS HB2 . 16441 1 1748 . 1 1 160 160 HIS HB3 H 1 3.025 0.030 . 2 . . . . 1206 HIS HB3 . 16441 1 1749 . 1 1 160 160 HIS HD2 H 1 6.414 0.030 . 1 . . . . 1206 HIS HD2 . 16441 1 1750 . 1 1 160 160 HIS C C 13 178.589 0.400 . 1 . . . . 1206 HIS C . 16441 1 1751 . 1 1 160 160 HIS CA C 13 60.587 0.400 . 1 . . . . 1206 HIS CA . 16441 1 1752 . 1 1 160 160 HIS CB C 13 30.572 0.400 . 1 . . . . 1206 HIS CB . 16441 1 1753 . 1 1 160 160 HIS N N 15 115.847 0.400 . 1 . . . . 1206 HIS N . 16441 1 1754 . 1 1 161 161 GLU H H 1 8.557 0.030 . 1 . . . . 1207 GLU H . 16441 1 1755 . 1 1 161 161 GLU HA H 1 4.552 0.030 . 1 . . . . 1207 GLU HA . 16441 1 1756 . 1 1 161 161 GLU HB2 H 1 2.362 0.030 . 2 . . . . 1207 GLU HB2 . 16441 1 1757 . 1 1 161 161 GLU HB3 H 1 2.099 0.030 . 2 . . . . 1207 GLU HB3 . 16441 1 1758 . 1 1 161 161 GLU HG2 H 1 2.579 0.030 . 2 . . . . 1207 GLU HG2 . 16441 1 1759 . 1 1 161 161 GLU HG3 H 1 2.453 0.030 . 2 . . . . 1207 GLU HG3 . 16441 1 1760 . 1 1 161 161 GLU C C 13 181.544 0.400 . 1 . . . . 1207 GLU C . 16441 1 1761 . 1 1 161 161 GLU CA C 13 58.803 0.400 . 1 . . . . 1207 GLU CA . 16441 1 1762 . 1 1 161 161 GLU CB C 13 29.640 0.400 . 1 . . . . 1207 GLU CB . 16441 1 1763 . 1 1 161 161 GLU CG C 13 37.101 0.400 . 1 . . . . 1207 GLU CG . 16441 1 1764 . 1 1 161 161 GLU N N 15 121.494 0.400 . 1 . . . . 1207 GLU N . 16441 1 1765 . 1 1 162 162 ARG H H 1 8.699 0.030 . 1 . . . . 1208 ARG H . 16441 1 1766 . 1 1 162 162 ARG HA H 1 4.225 0.030 . 1 . . . . 1208 ARG HA . 16441 1 1767 . 1 1 162 162 ARG HB2 H 1 1.970 0.030 . 2 . . . . 1208 ARG HB2 . 16441 1 1768 . 1 1 162 162 ARG HB3 H 1 1.970 0.030 . 2 . . . . 1208 ARG HB3 . 16441 1 1769 . 1 1 162 162 ARG HD2 H 1 3.188 0.030 . 2 . . . . 1208 ARG HD2 . 16441 1 1770 . 1 1 162 162 ARG HD3 H 1 3.188 0.030 . 2 . . . . 1208 ARG HD3 . 16441 1 1771 . 1 1 162 162 ARG HG2 H 1 1.852 0.030 . 2 . . . . 1208 ARG HG2 . 16441 1 1772 . 1 1 162 162 ARG HG3 H 1 1.747 0.030 . 2 . . . . 1208 ARG HG3 . 16441 1 1773 . 1 1 162 162 ARG C C 13 177.898 0.400 . 1 . . . . 1208 ARG C . 16441 1 1774 . 1 1 162 162 ARG CA C 13 59.174 0.400 . 1 . . . . 1208 ARG CA . 16441 1 1775 . 1 1 162 162 ARG CB C 13 30.561 0.400 . 1 . . . . 1208 ARG CB . 16441 1 1776 . 1 1 162 162 ARG CD C 13 43.954 0.400 . 1 . . . . 1208 ARG CD . 16441 1 1777 . 1 1 162 162 ARG CG C 13 28.247 0.400 . 1 . . . . 1208 ARG CG . 16441 1 1778 . 1 1 162 162 ARG N N 15 120.960 0.400 . 1 . . . . 1208 ARG N . 16441 1 1779 . 1 1 163 163 LYS H H 1 7.333 0.030 . 1 . . . . 1209 LYS H . 16441 1 1780 . 1 1 163 163 LYS HA H 1 4.382 0.030 . 1 . . . . 1209 LYS HA . 16441 1 1781 . 1 1 163 163 LYS HB2 H 1 2.131 0.030 . 2 . . . . 1209 LYS HB2 . 16441 1 1782 . 1 1 163 163 LYS HB3 H 1 1.799 0.030 . 2 . . . . 1209 LYS HB3 . 16441 1 1783 . 1 1 163 163 LYS HD2 H 1 1.464 0.030 . 2 . . . . 1209 LYS HD2 . 16441 1 1784 . 1 1 163 163 LYS HD3 H 1 1.554 0.030 . 2 . . . . 1209 LYS HD3 . 16441 1 1785 . 1 1 163 163 LYS HE2 H 1 2.948 0.030 . 2 . . . . 1209 LYS HE2 . 16441 1 1786 . 1 1 163 163 LYS HE3 H 1 2.948 0.030 . 2 . . . . 1209 LYS HE3 . 16441 1 1787 . 1 1 163 163 LYS HG2 H 1 1.682 0.030 . 2 . . . . 1209 LYS HG2 . 16441 1 1788 . 1 1 163 163 LYS HG3 H 1 1.562 0.030 . 2 . . . . 1209 LYS HG3 . 16441 1 1789 . 1 1 163 163 LYS C C 13 176.335 0.400 . 1 . . . . 1209 LYS C . 16441 1 1790 . 1 1 163 163 LYS CA C 13 55.300 0.400 . 1 . . . . 1209 LYS CA . 16441 1 1791 . 1 1 163 163 LYS CB C 13 31.637 0.400 . 1 . . . . 1209 LYS CB . 16441 1 1792 . 1 1 163 163 LYS CD C 13 25.539 0.400 . 1 . . . . 1209 LYS CD . 16441 1 1793 . 1 1 163 163 LYS CE C 13 42.818 0.400 . 1 . . . . 1209 LYS CE . 16441 1 1794 . 1 1 163 163 LYS CG C 13 29.260 0.400 . 1 . . . . 1209 LYS CG . 16441 1 1795 . 1 1 163 163 LYS N N 15 117.653 0.400 . 1 . . . . 1209 LYS N . 16441 1 1796 . 1 1 164 164 GLY H H 1 8.023 0.030 . 1 . . . . 1210 GLY H . 16441 1 1797 . 1 1 164 164 GLY HA2 H 1 4.224 0.030 . 2 . . . . 1210 GLY HA2 . 16441 1 1798 . 1 1 164 164 GLY HA3 H 1 3.861 0.030 . 2 . . . . 1210 GLY HA3 . 16441 1 1799 . 1 1 164 164 GLY C C 13 174.829 0.400 . 1 . . . . 1210 GLY C . 16441 1 1800 . 1 1 164 164 GLY CA C 13 46.308 0.400 . 1 . . . . 1210 GLY CA . 16441 1 1801 . 1 1 164 164 GLY N N 15 107.739 0.400 . 1 . . . . 1210 GLY N . 16441 1 1802 . 1 1 165 165 ARG H H 1 7.944 0.030 . 1 . . . . 1211 ARG H . 16441 1 1803 . 1 1 165 165 ARG HA H 1 4.732 0.030 . 1 . . . . 1211 ARG HA . 16441 1 1804 . 1 1 165 165 ARG HB2 H 1 1.636 0.030 . 2 . . . . 1211 ARG HB2 . 16441 1 1805 . 1 1 165 165 ARG HB3 H 1 1.704 0.030 . 2 . . . . 1211 ARG HB3 . 16441 1 1806 . 1 1 165 165 ARG HD2 H 1 2.958 0.030 . 2 . . . . 1211 ARG HD2 . 16441 1 1807 . 1 1 165 165 ARG HD3 H 1 3.179 0.030 . 2 . . . . 1211 ARG HD3 . 16441 1 1808 . 1 1 165 165 ARG HG2 H 1 1.464 0.030 . 2 . . . . 1211 ARG HG2 . 16441 1 1809 . 1 1 165 165 ARG HG3 H 1 1.464 0.030 . 2 . . . . 1211 ARG HG3 . 16441 1 1810 . 1 1 165 165 ARG C C 13 175.207 0.400 . 1 . . . . 1211 ARG C . 16441 1 1811 . 1 1 165 165 ARG CA C 13 55.009 0.400 . 1 . . . . 1211 ARG CA . 16441 1 1812 . 1 1 165 165 ARG CB C 13 33.225 0.400 . 1 . . . . 1211 ARG CB . 16441 1 1813 . 1 1 165 165 ARG CD C 13 44.740 0.400 . 1 . . . . 1211 ARG CD . 16441 1 1814 . 1 1 165 165 ARG CG C 13 29.767 0.400 . 1 . . . . 1211 ARG CG . 16441 1 1815 . 1 1 165 165 ARG N N 15 119.741 0.400 . 1 . . . . 1211 ARG N . 16441 1 1816 . 1 1 166 166 THR H H 1 8.609 0.030 . 1 . . . . 1212 THR H . 16441 1 1817 . 1 1 166 166 THR HA H 1 4.441 0.030 . 1 . . . . 1212 THR HA . 16441 1 1818 . 1 1 166 166 THR HB H 1 3.753 0.030 . 1 . . . . 1212 THR HB . 16441 1 1819 . 1 1 166 166 THR HG21 H 1 1.043 0.030 . 1 . . . . 1212 THR HG2 . 16441 1 1820 . 1 1 166 166 THR HG22 H 1 1.043 0.030 . 1 . . . . 1212 THR HG2 . 16441 1 1821 . 1 1 166 166 THR HG23 H 1 1.043 0.030 . 1 . . . . 1212 THR HG2 . 16441 1 1822 . 1 1 166 166 THR C C 13 172.579 0.400 . 1 . . . . 1212 THR C . 16441 1 1823 . 1 1 166 166 THR CA C 13 62.424 0.400 . 1 . . . . 1212 THR CA . 16441 1 1824 . 1 1 166 166 THR CB C 13 70.047 0.400 . 1 . . . . 1212 THR CB . 16441 1 1825 . 1 1 166 166 THR CG2 C 13 21.617 0.400 . 1 . . . . 1212 THR CG2 . 16441 1 1826 . 1 1 166 166 THR N N 15 116.193 0.400 . 1 . . . . 1212 THR N . 16441 1 1827 . 1 1 167 167 ALA H H 1 8.991 0.030 . 1 . . . . 1213 ALA H . 16441 1 1828 . 1 1 167 167 ALA HA H 1 5.406 0.030 . 1 . . . . 1213 ALA HA . 16441 1 1829 . 1 1 167 167 ALA HB1 H 1 1.304 0.030 . 1 . . . . 1213 ALA HB . 16441 1 1830 . 1 1 167 167 ALA HB2 H 1 1.304 0.030 . 1 . . . . 1213 ALA HB . 16441 1 1831 . 1 1 167 167 ALA HB3 H 1 1.304 0.030 . 1 . . . . 1213 ALA HB . 16441 1 1832 . 1 1 167 167 ALA C C 13 175.306 0.400 . 1 . . . . 1213 ALA C . 16441 1 1833 . 1 1 167 167 ALA CA C 13 50.593 0.400 . 1 . . . . 1213 ALA CA . 16441 1 1834 . 1 1 167 167 ALA CB C 13 21.677 0.400 . 1 . . . . 1213 ALA CB . 16441 1 1835 . 1 1 167 167 ALA N N 15 128.607 0.400 . 1 . . . . 1213 ALA N . 16441 1 1836 . 1 1 168 168 VAL H H 1 9.025 0.030 . 1 . . . . 1214 VAL H . 16441 1 1837 . 1 1 168 168 VAL HA H 1 4.540 0.030 . 1 . . . . 1214 VAL HA . 16441 1 1838 . 1 1 168 168 VAL HB H 1 2.127 0.030 . 1 . . . . 1214 VAL HB . 16441 1 1839 . 1 1 168 168 VAL HG11 H 1 0.948 0.030 . 2 . . . . 1214 VAL HG1 . 16441 1 1840 . 1 1 168 168 VAL HG12 H 1 0.948 0.030 . 2 . . . . 1214 VAL HG1 . 16441 1 1841 . 1 1 168 168 VAL HG13 H 1 0.948 0.030 . 2 . . . . 1214 VAL HG1 . 16441 1 1842 . 1 1 168 168 VAL HG21 H 1 0.740 0.030 . 2 . . . . 1214 VAL HG2 . 16441 1 1843 . 1 1 168 168 VAL HG22 H 1 0.740 0.030 . 2 . . . . 1214 VAL HG2 . 16441 1 1844 . 1 1 168 168 VAL HG23 H 1 0.740 0.030 . 2 . . . . 1214 VAL HG2 . 16441 1 1845 . 1 1 168 168 VAL C C 13 173.891 0.400 . 1 . . . . 1214 VAL C . 16441 1 1846 . 1 1 168 168 VAL CA C 13 60.348 0.400 . 1 . . . . 1214 VAL CA . 16441 1 1847 . 1 1 168 168 VAL CB C 13 35.064 0.400 . 1 . . . . 1214 VAL CB . 16441 1 1848 . 1 1 168 168 VAL CG1 C 13 22.595 0.400 . 1 . . . . 1214 VAL CG1 . 16441 1 1849 . 1 1 168 168 VAL CG2 C 13 20.730 0.400 . 1 . . . . 1214 VAL CG2 . 16441 1 1850 . 1 1 168 168 VAL N N 15 117.674 0.400 . 1 . . . . 1214 VAL N . 16441 1 1851 . 1 1 169 169 LEU H H 1 9.295 0.030 . 1 . . . . 1215 LEU H . 16441 1 1852 . 1 1 169 169 LEU HA H 1 5.098 0.030 . 1 . . . . 1215 LEU HA . 16441 1 1853 . 1 1 169 169 LEU HB2 H 1 1.828 0.030 . 2 . . . . 1215 LEU HB2 . 16441 1 1854 . 1 1 169 169 LEU HB3 H 1 1.526 0.030 . 2 . . . . 1215 LEU HB3 . 16441 1 1855 . 1 1 169 169 LEU HD11 H 1 1.035 0.030 . 2 . . . . 1215 LEU HD1 . 16441 1 1856 . 1 1 169 169 LEU HD12 H 1 1.035 0.030 . 2 . . . . 1215 LEU HD1 . 16441 1 1857 . 1 1 169 169 LEU HD13 H 1 1.035 0.030 . 2 . . . . 1215 LEU HD1 . 16441 1 1858 . 1 1 169 169 LEU HD21 H 1 0.964 0.030 . 2 . . . . 1215 LEU HD2 . 16441 1 1859 . 1 1 169 169 LEU HD22 H 1 0.964 0.030 . 2 . . . . 1215 LEU HD2 . 16441 1 1860 . 1 1 169 169 LEU HD23 H 1 0.964 0.030 . 2 . . . . 1215 LEU HD2 . 16441 1 1861 . 1 1 169 169 LEU HG H 1 1.727 0.030 . 1 . . . . 1215 LEU HG . 16441 1 1862 . 1 1 169 169 LEU C C 13 175.327 0.400 . 1 . . . . 1215 LEU C . 16441 1 1863 . 1 1 169 169 LEU CA C 13 54.252 0.400 . 1 . . . . 1215 LEU CA . 16441 1 1864 . 1 1 169 169 LEU CB C 13 45.327 0.400 . 1 . . . . 1215 LEU CB . 16441 1 1865 . 1 1 169 169 LEU CD1 C 13 24.266 0.400 . 1 . . . . 1215 LEU CD1 . 16441 1 1866 . 1 1 169 169 LEU CD2 C 13 26.726 0.400 . 1 . . . . 1215 LEU CD2 . 16441 1 1867 . 1 1 169 169 LEU CG C 13 28.422 0.400 . 1 . . . . 1215 LEU CG . 16441 1 1868 . 1 1 169 169 LEU N N 15 124.239 0.400 . 1 . . . . 1215 LEU N . 16441 1 1869 . 1 1 170 170 VAL H H 1 8.353 0.030 . 1 . . . . 1216 VAL H . 16441 1 1870 . 1 1 170 170 VAL HA H 1 5.029 0.030 . 1 . . . . 1216 VAL HA . 16441 1 1871 . 1 1 170 170 VAL HB H 1 2.434 0.030 . 1 . . . . 1216 VAL HB . 16441 1 1872 . 1 1 170 170 VAL CA C 13 58.268 0.400 . 1 . . . . 1216 VAL CA . 16441 1 1873 . 1 1 170 170 VAL CB C 13 31.993 0.400 . 1 . . . . 1216 VAL CB . 16441 1 1874 . 1 1 170 170 VAL N N 15 117.106 0.400 . 1 . . . . 1216 VAL N . 16441 1 1875 . 1 1 171 171 ALA H H 1 9.500 0.030 . 1 . . . . 1217 ALA H . 16441 1 1876 . 1 1 171 171 ALA HA H 1 5.525 0.030 . 1 . . . . 1217 ALA HA . 16441 1 1877 . 1 1 171 171 ALA HB1 H 1 1.149 0.030 . 1 . . . . 1217 ALA HB . 16441 1 1878 . 1 1 171 171 ALA HB2 H 1 1.149 0.030 . 1 . . . . 1217 ALA HB . 16441 1 1879 . 1 1 171 171 ALA HB3 H 1 1.149 0.030 . 1 . . . . 1217 ALA HB . 16441 1 1880 . 1 1 171 171 ALA C C 13 175.771 0.400 . 1 . . . . 1217 ALA C . 16441 1 1881 . 1 1 171 171 ALA CA C 13 50.643 0.400 . 1 . . . . 1217 ALA CA . 16441 1 1882 . 1 1 171 171 ALA CB C 13 23.043 0.400 . 1 . . . . 1217 ALA CB . 16441 1 1883 . 1 1 171 171 ALA N N 15 130.899 0.400 . 1 . . . . 1217 ALA N . 16441 1 1884 . 1 1 172 172 VAL H H 1 8.395 0.030 . 1 . . . . 1218 VAL H . 16441 1 1885 . 1 1 172 172 VAL HA H 1 4.963 0.030 . 1 . . . . 1218 VAL HA . 16441 1 1886 . 1 1 172 172 VAL HB H 1 2.081 0.030 . 1 . . . . 1218 VAL HB . 16441 1 1887 . 1 1 172 172 VAL HG11 H 1 0.967 0.030 . 2 . . . . 1218 VAL HG1 . 16441 1 1888 . 1 1 172 172 VAL HG12 H 1 0.967 0.030 . 2 . . . . 1218 VAL HG1 . 16441 1 1889 . 1 1 172 172 VAL HG13 H 1 0.967 0.030 . 2 . . . . 1218 VAL HG1 . 16441 1 1890 . 1 1 172 172 VAL HG21 H 1 0.726 0.030 . 2 . . . . 1218 VAL HG2 . 16441 1 1891 . 1 1 172 172 VAL HG22 H 1 0.726 0.030 . 2 . . . . 1218 VAL HG2 . 16441 1 1892 . 1 1 172 172 VAL HG23 H 1 0.726 0.030 . 2 . . . . 1218 VAL HG2 . 16441 1 1893 . 1 1 172 172 VAL C C 13 176.198 0.400 . 1 . . . . 1218 VAL C . 16441 1 1894 . 1 1 172 172 VAL CA C 13 60.766 0.400 . 1 . . . . 1218 VAL CA . 16441 1 1895 . 1 1 172 172 VAL CB C 13 34.850 0.400 . 1 . . . . 1218 VAL CB . 16441 1 1896 . 1 1 172 172 VAL CG1 C 13 22.418 0.400 . 1 . . . . 1218 VAL CG1 . 16441 1 1897 . 1 1 172 172 VAL CG2 C 13 22.486 0.400 . 1 . . . . 1218 VAL CG2 . 16441 1 1898 . 1 1 172 172 VAL N N 15 120.758 0.400 . 1 . . . . 1218 VAL N . 16441 1 1899 . 1 1 173 173 ASP H H 1 10.212 0.030 . 1 . . . . 1219 ASP H . 16441 1 1900 . 1 1 173 173 ASP HA H 1 4.300 0.030 . 1 . . . . 1219 ASP HA . 16441 1 1901 . 1 1 173 173 ASP HB2 H 1 2.895 0.030 . 2 . . . . 1219 ASP HB2 . 16441 1 1902 . 1 1 173 173 ASP HB3 H 1 2.772 0.030 . 2 . . . . 1219 ASP HB3 . 16441 1 1903 . 1 1 173 173 ASP C C 13 174.842 0.400 . 1 . . . . 1219 ASP C . 16441 1 1904 . 1 1 173 173 ASP CA C 13 56.982 0.400 . 1 . . . . 1219 ASP CA . 16441 1 1905 . 1 1 173 173 ASP CB C 13 39.780 0.400 . 1 . . . . 1219 ASP CB . 16441 1 1906 . 1 1 173 173 ASP N N 15 129.881 0.400 . 1 . . . . 1219 ASP N . 16441 1 1907 . 1 1 174 174 ASP H H 1 9.078 0.030 . 1 . . . . 1220 ASP H . 16441 1 1908 . 1 1 174 174 ASP HA H 1 3.950 0.030 . 1 . . . . 1220 ASP HA . 16441 1 1909 . 1 1 174 174 ASP HB2 H 1 2.865 0.030 . 2 . . . . 1220 ASP HB2 . 16441 1 1910 . 1 1 174 174 ASP HB3 H 1 2.865 0.030 . 2 . . . . 1220 ASP HB3 . 16441 1 1911 . 1 1 174 174 ASP CA C 13 56.541 0.400 . 1 . . . . 1220 ASP CA . 16441 1 1912 . 1 1 174 174 ASP CB C 13 39.520 0.400 . 1 . . . . 1220 ASP CB . 16441 1 1913 . 1 1 174 174 ASP N N 15 109.308 0.400 . 1 . . . . 1220 ASP N . 16441 1 1914 . 1 1 175 175 GLU H H 1 7.647 0.030 . 1 . . . . 1221 GLU H . 16441 1 1915 . 1 1 175 175 GLU HA H 1 4.600 0.030 . 1 . . . . 1221 GLU HA . 16441 1 1916 . 1 1 175 175 GLU HB2 H 1 2.040 0.030 . 2 . . . . 1221 GLU HB2 . 16441 1 1917 . 1 1 175 175 GLU HB3 H 1 1.872 0.030 . 2 . . . . 1221 GLU HB3 . 16441 1 1918 . 1 1 175 175 GLU HG2 H 1 2.252 0.030 . 2 . . . . 1221 GLU HG2 . 16441 1 1919 . 1 1 175 175 GLU HG3 H 1 2.252 0.030 . 2 . . . . 1221 GLU HG3 . 16441 1 1920 . 1 1 175 175 GLU C C 13 175.704 0.400 . 1 . . . . 1221 GLU C . 16441 1 1921 . 1 1 175 175 GLU CA C 13 55.181 0.400 . 1 . . . . 1221 GLU CA . 16441 1 1922 . 1 1 175 175 GLU CB C 13 33.155 0.400 . 1 . . . . 1221 GLU CB . 16441 1 1923 . 1 1 175 175 GLU CG C 13 36.668 0.400 . 1 . . . . 1221 GLU CG . 16441 1 1924 . 1 1 175 175 GLU N N 15 117.422 0.400 . 1 . . . . 1221 GLU N . 16441 1 1925 . 1 1 176 176 LEU H H 1 9.140 0.030 . 1 . . . . 1222 LEU H . 16441 1 1926 . 1 1 176 176 LEU HA H 1 4.411 0.030 . 1 . . . . 1222 LEU HA . 16441 1 1927 . 1 1 176 176 LEU HB2 H 1 1.843 0.030 . 2 . . . . 1222 LEU HB2 . 16441 1 1928 . 1 1 176 176 LEU HB3 H 1 1.530 0.030 . 2 . . . . 1222 LEU HB3 . 16441 1 1929 . 1 1 176 176 LEU HD11 H 1 0.910 0.030 . 2 . . . . 1222 LEU HD1 . 16441 1 1930 . 1 1 176 176 LEU HD12 H 1 0.910 0.030 . 2 . . . . 1222 LEU HD1 . 16441 1 1931 . 1 1 176 176 LEU HD13 H 1 0.910 0.030 . 2 . . . . 1222 LEU HD1 . 16441 1 1932 . 1 1 176 176 LEU HD21 H 1 0.637 0.030 . 2 . . . . 1222 LEU HD2 . 16441 1 1933 . 1 1 176 176 LEU HD22 H 1 0.637 0.030 . 2 . . . . 1222 LEU HD2 . 16441 1 1934 . 1 1 176 176 LEU HD23 H 1 0.637 0.030 . 2 . . . . 1222 LEU HD2 . 16441 1 1935 . 1 1 176 176 LEU HG H 1 1.108 0.030 . 1 . . . . 1222 LEU HG . 16441 1 1936 . 1 1 176 176 LEU C C 13 176.083 0.400 . 1 . . . . 1222 LEU C . 16441 1 1937 . 1 1 176 176 LEU CA C 13 56.561 0.400 . 1 . . . . 1222 LEU CA . 16441 1 1938 . 1 1 176 176 LEU CB C 13 41.722 0.400 . 1 . . . . 1222 LEU CB . 16441 1 1939 . 1 1 176 176 LEU CD1 C 13 26.441 0.400 . 1 . . . . 1222 LEU CD1 . 16441 1 1940 . 1 1 176 176 LEU CD2 C 13 23.968 0.400 . 1 . . . . 1222 LEU CD2 . 16441 1 1941 . 1 1 176 176 LEU CG C 13 28.211 0.400 . 1 . . . . 1222 LEU CG . 16441 1 1942 . 1 1 176 176 LEU N N 15 128.907 0.400 . 1 . . . . 1222 LEU N . 16441 1 1943 . 1 1 177 177 CYS H H 1 8.985 0.030 . 1 . . . . 1223 CYS H . 16441 1 1944 . 1 1 177 177 CYS HA H 1 5.076 0.030 . 1 . . . . 1223 CYS HA . 16441 1 1945 . 1 1 177 177 CYS HB2 H 1 2.970 0.030 . 2 . . . . 1223 CYS HB2 . 16441 1 1946 . 1 1 177 177 CYS HB3 H 1 2.758 0.030 . 2 . . . . 1223 CYS HB3 . 16441 1 1947 . 1 1 177 177 CYS C C 13 174.329 0.400 . 1 . . . . 1223 CYS C . 16441 1 1948 . 1 1 177 177 CYS CA C 13 58.743 0.400 . 1 . . . . 1223 CYS CA . 16441 1 1949 . 1 1 177 177 CYS CB C 13 32.054 0.400 . 1 . . . . 1223 CYS CB . 16441 1 1950 . 1 1 177 177 CYS N N 15 120.220 0.400 . 1 . . . . 1223 CYS N . 16441 1 1951 . 1 1 178 178 GLY H H 1 8.327 0.030 . 1 . . . . 1224 GLY H . 16441 1 1952 . 1 1 178 178 GLY HA2 H 1 5.363 0.030 . 2 . . . . 1224 GLY HA2 . 16441 1 1953 . 1 1 178 178 GLY HA3 H 1 3.306 0.030 . 2 . . . . 1224 GLY HA3 . 16441 1 1954 . 1 1 178 178 GLY C C 13 169.191 0.400 . 1 . . . . 1224 GLY C . 16441 1 1955 . 1 1 178 178 GLY CA C 13 45.424 0.400 . 1 . . . . 1224 GLY CA . 16441 1 1956 . 1 1 178 178 GLY N N 15 109.595 0.400 . 1 . . . . 1224 GLY N . 16441 1 1957 . 1 1 179 179 LEU H H 1 8.771 0.030 . 1 . . . . 1225 LEU H . 16441 1 1958 . 1 1 179 179 LEU HA H 1 5.171 0.030 . 1 . . . . 1225 LEU HA . 16441 1 1959 . 1 1 179 179 LEU HB2 H 1 1.488 0.030 . 2 . . . . 1225 LEU HB2 . 16441 1 1960 . 1 1 179 179 LEU HB3 H 1 1.372 0.030 . 2 . . . . 1225 LEU HB3 . 16441 1 1961 . 1 1 179 179 LEU HD11 H 1 0.825 0.030 . 2 . . . . 1225 LEU HD1 . 16441 1 1962 . 1 1 179 179 LEU HD12 H 1 0.825 0.030 . 2 . . . . 1225 LEU HD1 . 16441 1 1963 . 1 1 179 179 LEU HD13 H 1 0.825 0.030 . 2 . . . . 1225 LEU HD1 . 16441 1 1964 . 1 1 179 179 LEU HD21 H 1 0.785 0.030 . 2 . . . . 1225 LEU HD2 . 16441 1 1965 . 1 1 179 179 LEU HD22 H 1 0.785 0.030 . 2 . . . . 1225 LEU HD2 . 16441 1 1966 . 1 1 179 179 LEU HD23 H 1 0.785 0.030 . 2 . . . . 1225 LEU HD2 . 16441 1 1967 . 1 1 179 179 LEU HG H 1 1.544 0.030 . 1 . . . . 1225 LEU HG . 16441 1 1968 . 1 1 179 179 LEU C C 13 174.211 0.400 . 1 . . . . 1225 LEU C . 16441 1 1969 . 1 1 179 179 LEU CA C 13 54.331 0.400 . 1 . . . . 1225 LEU CA . 16441 1 1970 . 1 1 179 179 LEU CB C 13 46.595 0.400 . 1 . . . . 1225 LEU CB . 16441 1 1971 . 1 1 179 179 LEU CD1 C 13 27.386 0.400 . 1 . . . . 1225 LEU CD1 . 16441 1 1972 . 1 1 179 179 LEU CD2 C 13 26.765 0.400 . 1 . . . . 1225 LEU CD2 . 16441 1 1973 . 1 1 179 179 LEU CG C 13 27.820 0.400 . 1 . . . . 1225 LEU CG . 16441 1 1974 . 1 1 179 179 LEU N N 15 122.101 0.400 . 1 . . . . 1225 LEU N . 16441 1 1975 . 1 1 180 180 ILE H H 1 9.365 0.030 . 1 . . . . 1226 ILE H . 16441 1 1976 . 1 1 180 180 ILE HA H 1 4.777 0.030 . 1 . . . . 1226 ILE HA . 16441 1 1977 . 1 1 180 180 ILE HB H 1 1.641 0.030 . 1 . . . . 1226 ILE HB . 16441 1 1978 . 1 1 180 180 ILE HD11 H 1 0.655 0.030 . 1 . . . . 1226 ILE HD1 . 16441 1 1979 . 1 1 180 180 ILE HD12 H 1 0.655 0.030 . 1 . . . . 1226 ILE HD1 . 16441 1 1980 . 1 1 180 180 ILE HD13 H 1 0.655 0.030 . 1 . . . . 1226 ILE HD1 . 16441 1 1981 . 1 1 180 180 ILE HG12 H 1 0.744 0.030 . 2 . . . . 1226 ILE HG12 . 16441 1 1982 . 1 1 180 180 ILE HG21 H 1 0.640 0.030 . 1 . . . . 1226 ILE HG2 . 16441 1 1983 . 1 1 180 180 ILE HG22 H 1 0.640 0.030 . 1 . . . . 1226 ILE HG2 . 16441 1 1984 . 1 1 180 180 ILE HG23 H 1 0.640 0.030 . 1 . . . . 1226 ILE HG2 . 16441 1 1985 . 1 1 180 180 ILE C C 13 173.695 0.400 . 1 . . . . 1226 ILE C . 16441 1 1986 . 1 1 180 180 ILE CA C 13 59.857 0.400 . 1 . . . . 1226 ILE CA . 16441 1 1987 . 1 1 180 180 ILE CB C 13 41.295 0.400 . 1 . . . . 1226 ILE CB . 16441 1 1988 . 1 1 180 180 ILE CD1 C 13 14.290 0.400 . 1 . . . . 1226 ILE CD1 . 16441 1 1989 . 1 1 180 180 ILE CG1 C 13 26.037 0.400 . 1 . . . . 1226 ILE CG1 . 16441 1 1990 . 1 1 180 180 ILE CG2 C 13 17.731 0.400 . 1 . . . . 1226 ILE CG2 . 16441 1 1991 . 1 1 180 180 ILE N N 15 125.019 0.400 . 1 . . . . 1226 ILE N . 16441 1 1992 . 1 1 181 181 ALA H H 1 8.832 0.030 . 1 . . . . 1227 ALA H . 16441 1 1993 . 1 1 181 181 ALA HA H 1 5.097 0.030 . 1 . . . . 1227 ALA HA . 16441 1 1994 . 1 1 181 181 ALA HB1 H 1 0.494 0.030 . 1 . . . . 1227 ALA HB . 16441 1 1995 . 1 1 181 181 ALA HB2 H 1 0.494 0.030 . 1 . . . . 1227 ALA HB . 16441 1 1996 . 1 1 181 181 ALA HB3 H 1 0.494 0.030 . 1 . . . . 1227 ALA HB . 16441 1 1997 . 1 1 181 181 ALA C C 13 176.342 0.400 . 1 . . . . 1227 ALA C . 16441 1 1998 . 1 1 181 181 ALA CA C 13 50.193 0.400 . 1 . . . . 1227 ALA CA . 16441 1 1999 . 1 1 181 181 ALA CB C 13 20.056 0.400 . 1 . . . . 1227 ALA CB . 16441 1 2000 . 1 1 181 181 ALA N N 15 129.056 0.400 . 1 . . . . 1227 ALA N . 16441 1 2001 . 1 1 182 182 ILE H H 1 9.294 0.030 . 1 . . . . 1228 ILE H . 16441 1 2002 . 1 1 182 182 ILE HA H 1 4.484 0.030 . 1 . . . . 1228 ILE HA . 16441 1 2003 . 1 1 182 182 ILE HB H 1 1.618 0.030 . 1 . . . . 1228 ILE HB . 16441 1 2004 . 1 1 182 182 ILE HD11 H 1 0.564 0.030 . 1 . . . . 1228 ILE HD1 . 16441 1 2005 . 1 1 182 182 ILE HD12 H 1 0.564 0.030 . 1 . . . . 1228 ILE HD1 . 16441 1 2006 . 1 1 182 182 ILE HD13 H 1 0.564 0.030 . 1 . . . . 1228 ILE HD1 . 16441 1 2007 . 1 1 182 182 ILE HG12 H 1 1.208 0.030 . 2 . . . . 1228 ILE HG12 . 16441 1 2008 . 1 1 182 182 ILE HG13 H 1 0.930 0.030 . 2 . . . . 1228 ILE HG13 . 16441 1 2009 . 1 1 182 182 ILE HG21 H 1 0.681 0.030 . 1 . . . . 1228 ILE HG2 . 16441 1 2010 . 1 1 182 182 ILE HG22 H 1 0.681 0.030 . 1 . . . . 1228 ILE HG2 . 16441 1 2011 . 1 1 182 182 ILE HG23 H 1 0.681 0.030 . 1 . . . . 1228 ILE HG2 . 16441 1 2012 . 1 1 182 182 ILE C C 13 173.711 0.400 . 1 . . . . 1228 ILE C . 16441 1 2013 . 1 1 182 182 ILE CA C 13 60.528 0.400 . 1 . . . . 1228 ILE CA . 16441 1 2014 . 1 1 182 182 ILE CB C 13 40.847 0.400 . 1 . . . . 1228 ILE CB . 16441 1 2015 . 1 1 182 182 ILE CD1 C 13 14.363 0.400 . 1 . . . . 1228 ILE CD1 . 16441 1 2016 . 1 1 182 182 ILE CG1 C 13 28.170 0.400 . 1 . . . . 1228 ILE CG1 . 16441 1 2017 . 1 1 182 182 ILE CG2 C 13 19.460 0.400 . 1 . . . . 1228 ILE CG2 . 16441 1 2018 . 1 1 182 182 ILE N N 15 125.396 0.400 . 1 . . . . 1228 ILE N . 16441 1 2019 . 1 1 183 183 ALA H H 1 9.015 0.030 . 1 . . . . 1229 ALA H . 16441 1 2020 . 1 1 183 183 ALA HA H 1 4.903 0.030 . 1 . . . . 1229 ALA HA . 16441 1 2021 . 1 1 183 183 ALA HB1 H 1 1.403 0.030 . 1 . . . . 1229 ALA HB . 16441 1 2022 . 1 1 183 183 ALA HB2 H 1 1.403 0.030 . 1 . . . . 1229 ALA HB . 16441 1 2023 . 1 1 183 183 ALA HB3 H 1 1.403 0.030 . 1 . . . . 1229 ALA HB . 16441 1 2024 . 1 1 183 183 ALA C C 13 175.289 0.400 . 1 . . . . 1229 ALA C . 16441 1 2025 . 1 1 183 183 ALA CA C 13 50.735 0.400 . 1 . . . . 1229 ALA CA . 16441 1 2026 . 1 1 183 183 ALA CB C 13 23.023 0.400 . 1 . . . . 1229 ALA CB . 16441 1 2027 . 1 1 183 183 ALA N N 15 129.293 0.400 . 1 . . . . 1229 ALA N . 16441 1 2028 . 1 1 184 184 ASP H H 1 8.619 0.030 . 1 . . . . 1230 ASP H . 16441 1 2029 . 1 1 184 184 ASP HA H 1 4.744 0.030 . 1 . . . . 1230 ASP HA . 16441 1 2030 . 1 1 184 184 ASP HB2 H 1 2.677 0.030 . 2 . . . . 1230 ASP HB2 . 16441 1 2031 . 1 1 184 184 ASP HB3 H 1 2.646 0.030 . 2 . . . . 1230 ASP HB3 . 16441 1 2032 . 1 1 184 184 ASP C C 13 175.932 0.400 . 1 . . . . 1230 ASP C . 16441 1 2033 . 1 1 184 184 ASP CA C 13 53.832 0.400 . 1 . . . . 1230 ASP CA . 16441 1 2034 . 1 1 184 184 ASP CB C 13 42.275 0.400 . 1 . . . . 1230 ASP CB . 16441 1 2035 . 1 1 184 184 ASP N N 15 120.542 0.400 . 1 . . . . 1230 ASP N . 16441 1 2036 . 1 1 185 185 THR H H 1 7.791 0.030 . 1 . . . . 1231 THR H . 16441 1 2037 . 1 1 185 185 THR HA H 1 4.239 0.030 . 1 . . . . 1231 THR HA . 16441 1 2038 . 1 1 185 185 THR HB H 1 4.215 0.030 . 1 . . . . 1231 THR HB . 16441 1 2039 . 1 1 185 185 THR HG21 H 1 1.141 0.030 . 1 . . . . 1231 THR HG2 . 16441 1 2040 . 1 1 185 185 THR HG22 H 1 1.141 0.030 . 1 . . . . 1231 THR HG2 . 16441 1 2041 . 1 1 185 185 THR HG23 H 1 1.141 0.030 . 1 . . . . 1231 THR HG2 . 16441 1 2042 . 1 1 185 185 THR C C 13 179.036 0.400 . 1 . . . . 1231 THR C . 16441 1 2043 . 1 1 185 185 THR CA C 13 63.517 0.400 . 1 . . . . 1231 THR CA . 16441 1 2044 . 1 1 185 185 THR CB C 13 71.994 0.400 . 1 . . . . 1231 THR CB . 16441 1 2045 . 1 1 185 185 THR CG2 C 13 22.743 0.400 . 1 . . . . 1231 THR CG2 . 16441 1 2046 . 1 1 185 185 THR N N 15 119.165 0.400 . 1 . . . . 1231 THR N . 16441 1 2047 . 2 2 1 1 ATP H5'1 H 1 3.475 0.030 . 2 . . . . . ATP H5' . 16441 1 2048 . 2 2 1 1 ATP H5'2 H 1 3.586 0.030 . 2 . . . . . ATP H5'' . 16441 1 2049 . 2 2 1 1 ATP H4' H 1 4.082 0.030 . 1 . . . . . ATP H4' . 16441 1 2050 . 2 2 1 1 ATP H3' H 1 3.091 0.030 . 1 . . . . . ATP H3' . 16441 1 2051 . 2 2 1 1 ATP H2' H 1 3.543 0.030 . 1 . . . . . ATP H2' . 16441 1 2052 . 2 2 1 1 ATP H1' H 1 5.930 0.030 . 1 . . . . . ATP H1' . 16441 1 2053 . 2 2 1 1 ATP H2 H 1 8.189 0.030 . 1 . . . . . ATP H2 . 16441 1 2054 . 2 2 1 1 ATP H8 H 1 7.175 0.030 . 1 . . . . . ATP H8 . 16441 1 stop_ save_