data_6960 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6960 _Entry.Title ; Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-27 _Entry.Accession_date 2006-01-27 _Entry.Last_release_date 2006-04-26 _Entry.Original_release_date 2006-04-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 . Sachchidanand . . . 6960 2 L. Resnick-Silverman . . . 6960 3 S. Yan . . . 6960 4 S. Mujtaba . . . 6960 5 W. Liu . J. . 6960 6 L. Zeng . . . 6960 7 J. Manfredi . . . 6960 8 M. Zhou . M. . 6960 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6960 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 6960 '15N chemical shifts' 116 6960 '1H chemical shifts' 845 6960 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 1 . . 2006-04-26 2006-01-27 original author . 6960 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D82 'BMRB Entry Tracking System' 6960 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6960 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16426974 _Citation.Full_citation . _Citation.Title ; Target structure-based discovery of small molecules that block human p53 and CREB binding protein association ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _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 81 _Citation.Page_last 90 _Citation.Year 2006 _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 . Sachchidanand . . . 6960 1 2 L. Resnick-Silverman . . . 6960 1 3 S. Yan . . . 6960 1 4 S. Mujtaba . . . 6960 1 5 W. Liu . J. . 6960 1 6 L. Zeng . . . 6960 1 7 J. Manfredi . J. . 6960 1 8 M. Zhou . M. . 6960 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 9-Acetyl-2,3,4,9-tetrahydro-carbazol-1-one 6960 1 Bromodomain 6960 1 CBP 6960 1 'Chemical Ligand' 6960 1 CREB 6960 1 'NMR structure' 6960 1 p53 6960 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6960 _Assembly.ID 1 _Assembly.Name 'CREB-binding protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.3.1.48 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6960 1 stop_ 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 'CREB-binding protein' 1 $entity . . . native . . . . . 6960 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2D82 . . . . . . 6960 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CREB-binding protein' abbreviation 6960 1 'CREB-binding protein' system 6960 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 6960 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CREB-binding protein (E.C.2.3.1.48)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMRKKIFKPEELRQALMP TLEALYRQDPESLPFRQPVD PQLLGIPDYFDIVKNPMDLS TIKRKLDTGQYQEPWQYVDD VWLMFNNAWLYNRKTSRVYK FCSKLAEVFEQEIDPVMQSL G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 no BMRB 17392 . entity_1 . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 6960 1 2 no BMRB 17393 . entity_1 . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 6960 1 3 no BMRB 7110 . CBP_BROMODOMAIN . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 6960 1 4 no PDB 1JSP . "Nmr Structure Of Cbp Bromodomain In Complex With P53 Peptide" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 6960 1 5 no PDB 2D82 . "Target Structure-Based Discovery Of Small Molecules That Block Human P53 And Creb Binding Protein (Cbp) Association" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 6960 1 6 no PDB 2L84 . "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule J28" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 6960 1 7 no PDB 2L85 . "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule Of Hbs" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 6960 1 8 no PDB 2RNY . "Complex Structures Of Cbp Bromodomain With H4 Ack20 Peptide" . . . . . 100.00 121 100.00 100.00 2.18e-83 . . . . 6960 1 9 no PDB 3DWY . "Crystal Structure Of The Bromodomain Of Human Crebbp" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 10 no PDB 3P1C . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Acetylated Lysine" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 11 no PDB 3P1D . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With N-Methyl-2-Pyrrolidone (Nmp)" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 12 no PDB 3P1E . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Dimethyl Sulfoxide (Dmso)" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 13 no PDB 3P1F . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Hydroquinazolin Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 14 no PDB 3SVH . "Crystal Structure Of The Bromdomain Of Human Crebbp In Complex With A 3,5-Dimethylisoxazol Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 15 no PDB 4A9K . "Bromodomain Of Human Crebbp With N-(4-Hydroxyphenyl) Acetamide" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 16 no PDB 4N3W . "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Acetylated His" . . . . . 96.69 237 100.00 100.00 2.59e-78 . . . . 6960 1 17 no PDB 4N4F . "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Di-acetylated " . . . . . 96.69 237 100.00 100.00 2.59e-78 . . . . 6960 1 18 no PDB 4NR4 . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 19 no PDB 4NR5 . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 20 no PDB 4NR6 . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Oxazepin Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 21 no PDB 4NR7 . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 22 no PDB 4NYV . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Quinazolin-one Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 23 no PDB 4NYW . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 24 no PDB 4NYX . "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" . . . . . 98.35 119 99.16 99.16 2.19e-80 . . . . 6960 1 25 no PDB 4OUF . "Crystal Structure Of Cbp Bromodomain" . . . . . 95.87 116 100.00 100.00 1.14e-78 . . . . 6960 1 26 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 99.17 2472 98.33 98.33 7.89e-75 . . . . 6960 1 27 no DBJ BAG65526 . "unnamed protein product [Homo sapiens]" . . . . . 99.17 1198 98.33 98.33 1.20e-74 . . . . 6960 1 28 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 99.17 2442 98.33 98.33 8.34e-75 . . . . 6960 1 29 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 99.17 2441 97.50 97.50 3.56e-73 . . . . 6960 1 30 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 99.17 2442 98.33 98.33 8.34e-75 . . . . 6960 1 31 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 99.17 2442 98.33 98.33 8.67e-75 . . . . 6960 1 32 no GB AAH72594 . "Crebbp protein, partial [Mus musculus]" . . . . . 99.17 1589 98.33 98.33 7.85e-75 . . . . 6960 1 33 no GB AAI72737 . "CREB binding protein [synthetic construct]" . . . . . 99.17 2441 98.33 98.33 1.04e-74 . . . . 6960 1 34 no PRF 1923401A . "protein CBP" . . . . . 99.17 2441 97.50 97.50 3.56e-73 . . . . 6960 1 35 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 99.17 2441 98.33 98.33 1.04e-74 . . . . 6960 1 36 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 99.17 2404 98.33 98.33 8.13e-75 . . . . 6960 1 37 no REF NP_001157494 . "CREB-binding protein [Bos taurus]" . . . . . 99.17 2435 97.50 97.50 1.21e-73 . . . . 6960 1 38 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 99.17 2442 98.33 98.33 8.84e-75 . . . . 6960 1 39 no REF NP_004371 . "CREB-binding protein isoform a [Homo sapiens]" . . . . . 99.17 2442 98.33 98.33 8.34e-75 . . . . 6960 1 40 no SP P45481 . "RecName: Full=CREB-binding protein [Mus musculus]" . . . . . 99.17 2441 98.33 98.33 8.34e-75 . . . . 6960 1 41 no SP Q6JHU9 . "RecName: Full=CREB-binding protein [Rattus norvegicus]" . . . . . 99.17 2442 98.33 98.33 8.42e-75 . . . . 6960 1 42 no SP Q92793 . "RecName: Full=CREB-binding protein [Homo sapiens]" . . . . . 99.17 2442 98.33 98.33 8.34e-75 . . . . 6960 1 43 no TPG DAA15549 . "TPA: CREB binding protein [Bos taurus]" . . . . . 99.17 2435 97.50 97.50 1.21e-73 . . . . 6960 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CREB-binding protein (E.C.2.3.1.48)' abbreviation 6960 1 'CREB-binding protein (E.C.2.3.1.48)' common 6960 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 1077 GLY . 6960 1 2 1078 SER . 6960 1 3 1079 HIS . 6960 1 4 1080 MET . 6960 1 5 1081 ARG . 6960 1 6 1082 LYS . 6960 1 7 1083 LYS . 6960 1 8 1084 ILE . 6960 1 9 1085 PHE . 6960 1 10 1086 LYS . 6960 1 11 1087 PRO . 6960 1 12 1088 GLU . 6960 1 13 1089 GLU . 6960 1 14 1090 LEU . 6960 1 15 1091 ARG . 6960 1 16 1092 GLN . 6960 1 17 1093 ALA . 6960 1 18 1094 LEU . 6960 1 19 1095 MET . 6960 1 20 1096 PRO . 6960 1 21 1097 THR . 6960 1 22 1098 LEU . 6960 1 23 1099 GLU . 6960 1 24 1100 ALA . 6960 1 25 1101 LEU . 6960 1 26 1102 TYR . 6960 1 27 1103 ARG . 6960 1 28 1104 GLN . 6960 1 29 1105 ASP . 6960 1 30 1106 PRO . 6960 1 31 1107 GLU . 6960 1 32 1108 SER . 6960 1 33 1109 LEU . 6960 1 34 1110 PRO . 6960 1 35 1111 PHE . 6960 1 36 1112 ARG . 6960 1 37 1113 GLN . 6960 1 38 1114 PRO . 6960 1 39 1115 VAL . 6960 1 40 1116 ASP . 6960 1 41 1117 PRO . 6960 1 42 1118 GLN . 6960 1 43 1119 LEU . 6960 1 44 1120 LEU . 6960 1 45 1121 GLY . 6960 1 46 1122 ILE . 6960 1 47 1123 PRO . 6960 1 48 1124 ASP . 6960 1 49 1125 TYR . 6960 1 50 1126 PHE . 6960 1 51 1127 ASP . 6960 1 52 1128 ILE . 6960 1 53 1129 VAL . 6960 1 54 1130 LYS . 6960 1 55 1131 ASN . 6960 1 56 1132 PRO . 6960 1 57 1133 MET . 6960 1 58 1134 ASP . 6960 1 59 1135 LEU . 6960 1 60 1136 SER . 6960 1 61 1137 THR . 6960 1 62 1138 ILE . 6960 1 63 1139 LYS . 6960 1 64 1140 ARG . 6960 1 65 1141 LYS . 6960 1 66 1142 LEU . 6960 1 67 1143 ASP . 6960 1 68 1144 THR . 6960 1 69 1145 GLY . 6960 1 70 1146 GLN . 6960 1 71 1147 TYR . 6960 1 72 1148 GLN . 6960 1 73 1149 GLU . 6960 1 74 1150 PRO . 6960 1 75 1151 TRP . 6960 1 76 1152 GLN . 6960 1 77 1153 TYR . 6960 1 78 1154 VAL . 6960 1 79 1155 ASP . 6960 1 80 1156 ASP . 6960 1 81 1157 VAL . 6960 1 82 1158 TRP . 6960 1 83 1159 LEU . 6960 1 84 1160 MET . 6960 1 85 1161 PHE . 6960 1 86 1162 ASN . 6960 1 87 1163 ASN . 6960 1 88 1164 ALA . 6960 1 89 1165 TRP . 6960 1 90 1166 LEU . 6960 1 91 1167 TYR . 6960 1 92 1168 ASN . 6960 1 93 1169 ARG . 6960 1 94 1170 LYS . 6960 1 95 1171 THR . 6960 1 96 1172 SER . 6960 1 97 1173 ARG . 6960 1 98 1174 VAL . 6960 1 99 1175 TYR . 6960 1 100 1176 LYS . 6960 1 101 1177 PHE . 6960 1 102 1178 CYS . 6960 1 103 1179 SER . 6960 1 104 1180 LYS . 6960 1 105 1181 LEU . 6960 1 106 1182 ALA . 6960 1 107 1183 GLU . 6960 1 108 1184 VAL . 6960 1 109 1185 PHE . 6960 1 110 1186 GLU . 6960 1 111 1187 GLN . 6960 1 112 1188 GLU . 6960 1 113 1189 ILE . 6960 1 114 1190 ASP . 6960 1 115 1191 PRO . 6960 1 116 1192 VAL . 6960 1 117 1193 MET . 6960 1 118 1194 GLN . 6960 1 119 1195 SER . 6960 1 120 1196 LEU . 6960 1 121 1197 GLY . 6960 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 . GLY 1 1 6960 1 . SER 2 2 6960 1 . HIS 3 3 6960 1 . MET 4 4 6960 1 . ARG 5 5 6960 1 . LYS 6 6 6960 1 . LYS 7 7 6960 1 . ILE 8 8 6960 1 . PHE 9 9 6960 1 . LYS 10 10 6960 1 . PRO 11 11 6960 1 . GLU 12 12 6960 1 . GLU 13 13 6960 1 . LEU 14 14 6960 1 . ARG 15 15 6960 1 . GLN 16 16 6960 1 . ALA 17 17 6960 1 . LEU 18 18 6960 1 . MET 19 19 6960 1 . PRO 20 20 6960 1 . THR 21 21 6960 1 . LEU 22 22 6960 1 . GLU 23 23 6960 1 . ALA 24 24 6960 1 . LEU 25 25 6960 1 . TYR 26 26 6960 1 . ARG 27 27 6960 1 . GLN 28 28 6960 1 . ASP 29 29 6960 1 . PRO 30 30 6960 1 . GLU 31 31 6960 1 . SER 32 32 6960 1 . LEU 33 33 6960 1 . PRO 34 34 6960 1 . PHE 35 35 6960 1 . ARG 36 36 6960 1 . GLN 37 37 6960 1 . PRO 38 38 6960 1 . VAL 39 39 6960 1 . ASP 40 40 6960 1 . PRO 41 41 6960 1 . GLN 42 42 6960 1 . LEU 43 43 6960 1 . LEU 44 44 6960 1 . GLY 45 45 6960 1 . ILE 46 46 6960 1 . PRO 47 47 6960 1 . ASP 48 48 6960 1 . TYR 49 49 6960 1 . PHE 50 50 6960 1 . ASP 51 51 6960 1 . ILE 52 52 6960 1 . VAL 53 53 6960 1 . LYS 54 54 6960 1 . ASN 55 55 6960 1 . PRO 56 56 6960 1 . MET 57 57 6960 1 . ASP 58 58 6960 1 . LEU 59 59 6960 1 . SER 60 60 6960 1 . THR 61 61 6960 1 . ILE 62 62 6960 1 . LYS 63 63 6960 1 . ARG 64 64 6960 1 . LYS 65 65 6960 1 . LEU 66 66 6960 1 . ASP 67 67 6960 1 . THR 68 68 6960 1 . GLY 69 69 6960 1 . GLN 70 70 6960 1 . TYR 71 71 6960 1 . GLN 72 72 6960 1 . GLU 73 73 6960 1 . PRO 74 74 6960 1 . TRP 75 75 6960 1 . GLN 76 76 6960 1 . TYR 77 77 6960 1 . VAL 78 78 6960 1 . ASP 79 79 6960 1 . ASP 80 80 6960 1 . VAL 81 81 6960 1 . TRP 82 82 6960 1 . LEU 83 83 6960 1 . MET 84 84 6960 1 . PHE 85 85 6960 1 . ASN 86 86 6960 1 . ASN 87 87 6960 1 . ALA 88 88 6960 1 . TRP 89 89 6960 1 . LEU 90 90 6960 1 . TYR 91 91 6960 1 . ASN 92 92 6960 1 . ARG 93 93 6960 1 . LYS 94 94 6960 1 . THR 95 95 6960 1 . SER 96 96 6960 1 . ARG 97 97 6960 1 . VAL 98 98 6960 1 . TYR 99 99 6960 1 . LYS 100 100 6960 1 . PHE 101 101 6960 1 . CYS 102 102 6960 1 . SER 103 103 6960 1 . LYS 104 104 6960 1 . LEU 105 105 6960 1 . ALA 106 106 6960 1 . GLU 107 107 6960 1 . VAL 108 108 6960 1 . PHE 109 109 6960 1 . GLU 110 110 6960 1 . GLN 111 111 6960 1 . GLU 112 112 6960 1 . ILE 113 113 6960 1 . ASP 114 114 6960 1 . PRO 115 115 6960 1 . VAL 116 116 6960 1 . MET 117 117 6960 1 . GLN 118 118 6960 1 . SER 119 119 6960 1 . LEU 120 120 6960 1 . GLY 121 121 6960 1 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 6960 _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 . . . . . . . . . . . . . . . . . . . . . 6960 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 6960 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6960 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6960 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CREB-binding protein (E.C.2.3.1.48)' '[U-15N; U-13C]' . . 1 $entity . . 0.5 . . mM . . . . 6960 1 2 CRB . . . . . . . 3.0 . . mM . . . . 6960 1 3 'phosphate buffer' . . . . . . . 100 . . mM . . . . 6960 1 4 D2O . . . . . . . 100 . . % . . . . 6960 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6960 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CREB-binding protein (E.C.2.3.1.48)' '[U-15N; U-13C; U-75% 2H]' . . 1 $entity . . 0.5 . . mM . . . . 6960 2 2 CRB . . . . . . . 3.0 . . mM . . . . 6960 2 3 'phosphate buffer' . . . . . . . 100 . . mM . . . . 6960 2 4 D2O . . . . . . . 10 . . % . . . . 6960 2 5 H2O . . . . . . . 90 . . % . . . . 6960 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6960 _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 pH 6.5 . pH 6960 1 pressure 1 . atm 6960 1 temperature 298 . K 6960 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6960 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details 'F.Delaglio, S.Grzesiek, G.Vuister, G.Zhu, J.Pfeifer, A.Bax' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6960 1 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 6960 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Bruce A.Johnson' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6960 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6960 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6960 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 6960 _Software.ID 4 _Software.Name ARIA _Software.Version 2.0 _Software.Details 'M.Nilges, S.O'Donoghue' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6960 4 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 6960 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6960 _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 DRX . 500 . . . 6960 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 6960 _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 '3D 13C-SEPERATED NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6960 1 2 '3D 13C-SEPERATED TOCSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6960 1 3 '3D 13C-EDITED 13C/15N-Filtered NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6960 1 4 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6960 1 5 '3D HNCOCACB' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6960 1 6 '3D CCONH' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6960 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6960 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6960 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6960 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6960 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6960 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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 $sample_1 . 6960 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 2 2 SER HA H 1 4.396 . . . . . . . . . . . 6960 1 2 . 1 1 2 2 SER HB2 H 1 3.753 . . . . . . . . . . . 6960 1 3 . 1 1 2 2 SER CA C 13 58.230 . . . . . . . . . . . 6960 1 4 . 1 1 2 2 SER CB C 13 63.674 . . . . . . . . . . . 6960 1 5 . 1 1 3 3 HIS HA H 1 4.602 . . . . . . . . . . . 6960 1 6 . 1 1 3 3 HIS HB2 H 1 3.097 . . . . . . . . . . . 6960 1 7 . 1 1 3 3 HIS HB3 H 1 3.026 . . . . . . . . . . . 6960 1 8 . 1 1 3 3 HIS HD2 H 1 7.019 . . . . . . . . . . . 6960 1 9 . 1 1 3 3 HIS CA C 13 55.863 . . . . . . . . . . . 6960 1 10 . 1 1 3 3 HIS CB C 13 29.826 . . . . . . . . . . . 6960 1 11 . 1 1 3 3 HIS CD2 C 13 117.260 . . . . . . . . . . . 6960 1 12 . 1 1 4 4 MET HA H 1 4.403 . . . . . . . . . . . 6960 1 13 . 1 1 4 4 MET HB2 H 1 2.035 . . . . . . . . . . . 6960 1 14 . 1 1 4 4 MET HB3 H 1 1.958 . . . . . . . . . . . 6960 1 15 . 1 1 4 4 MET HG2 H 1 2.510 . . . . . . . . . . . 6960 1 16 . 1 1 4 4 MET HG3 H 1 2.444 . . . . . . . . . . . 6960 1 17 . 1 1 4 4 MET CA C 13 55.389 . . . . . . . . . . . 6960 1 18 . 1 1 4 4 MET CB C 13 32.903 . . . . . . . . . . . 6960 1 19 . 1 1 4 4 MET CG C 13 31.956 . . . . . . . . . . . 6960 1 20 . 1 1 5 5 ARG H H 1 8.471 . . . . . . . . . . . 6960 1 21 . 1 1 5 5 ARG HA H 1 4.314 . . . . . . . . . . . 6960 1 22 . 1 1 5 5 ARG HB2 H 1 1.841 . . . . . . . . . . . 6960 1 23 . 1 1 5 5 ARG HB3 H 1 1.746 . . . . . . . . . . . 6960 1 24 . 1 1 5 5 ARG HG2 H 1 1.595 . . . . . . . . . . . 6960 1 25 . 1 1 5 5 ARG HD2 H 1 3.151 . . . . . . . . . . . 6960 1 26 . 1 1 5 5 ARG CA C 13 55.775 . . . . . . . . . . . 6960 1 27 . 1 1 5 5 ARG CB C 13 30.918 . . . . . . . . . . . 6960 1 28 . 1 1 5 5 ARG CG C 13 27.130 . . . . . . . . . . . 6960 1 29 . 1 1 5 5 ARG CD C 13 43.337 . . . . . . . . . . . 6960 1 30 . 1 1 5 5 ARG N N 15 122.846 . . . . . . . . . . . 6960 1 31 . 1 1 6 6 LYS H H 1 8.431 . . . . . . . . . . . 6960 1 32 . 1 1 6 6 LYS HA H 1 4.272 . . . . . . . . . . . 6960 1 33 . 1 1 6 6 LYS HB2 H 1 1.725 . . . . . . . . . . . 6960 1 34 . 1 1 6 6 LYS HB3 H 1 1.338 . . . . . . . . . . . 6960 1 35 . 1 1 6 6 LYS HG2 H 1 1.388 . . . . . . . . . . . 6960 1 36 . 1 1 6 6 LYS HG3 H 1 1.302 . . . . . . . . . . . 6960 1 37 . 1 1 6 6 LYS HD2 H 1 1.650 . . . . . . . . . . . 6960 1 38 . 1 1 6 6 LYS HE2 H 1 2.921 . . . . . . . . . . . 6960 1 39 . 1 1 6 6 LYS HZ1 H 1 7.484 . . . . . . . . . . . 6960 1 40 . 1 1 6 6 LYS HZ2 H 1 7.484 . . . . . . . . . . . 6960 1 41 . 1 1 6 6 LYS HZ3 H 1 7.484 . . . . . . . . . . . 6960 1 42 . 1 1 6 6 LYS CA C 13 56.336 . . . . . . . . . . . 6960 1 43 . 1 1 6 6 LYS CB C 13 33.139 . . . . . . . . . . . 6960 1 44 . 1 1 6 6 LYS CG C 13 25.000 . . . . . . . . . . . 6960 1 45 . 1 1 6 6 LYS CD C 13 29.024 . . . . . . . . . . . 6960 1 46 . 1 1 6 6 LYS CE C 13 41.571 . . . . . . . . . . . 6960 1 47 . 1 1 6 6 LYS N N 15 123.308 . . . . . . . . . . . 6960 1 48 . 1 1 7 7 LYS H H 1 8.296 . . . . . . . . . . . 6960 1 49 . 1 1 7 7 LYS HA H 1 4.243 . . . . . . . . . . . 6960 1 50 . 1 1 7 7 LYS HB2 H 1 1.604 . . . . . . . . . . . 6960 1 51 . 1 1 7 7 LYS HG2 H 1 1.108 . . . . . . . . . . . 6960 1 52 . 1 1 7 7 LYS HG3 H 1 0.963 . . . . . . . . . . . 6960 1 53 . 1 1 7 7 LYS HD2 H 1 1.505 . . . . . . . . . . . 6960 1 54 . 1 1 7 7 LYS HE2 H 1 2.675 . . . . . . . . . . . 6960 1 55 . 1 1 7 7 LYS CA C 13 56.012 . . . . . . . . . . . 6960 1 56 . 1 1 7 7 LYS CB C 13 33.500 . . . . . . . . . . . 6960 1 57 . 1 1 7 7 LYS CG C 13 24.844 . . . . . . . . . . . 6960 1 58 . 1 1 7 7 LYS CD C 13 29.027 . . . . . . . . . . . 6960 1 59 . 1 1 7 7 LYS CE C 13 41.861 . . . . . . . . . . . 6960 1 60 . 1 1 7 7 LYS N N 15 123.385 . . . . . . . . . . . 6960 1 61 . 1 1 8 8 ILE H H 1 8.036 . . . . . . . . . . . 6960 1 62 . 1 1 8 8 ILE HA H 1 4.281 . . . . . . . . . . . 6960 1 63 . 1 1 8 8 ILE HB H 1 1.735 . . . . . . . . . . . 6960 1 64 . 1 1 8 8 ILE HG12 H 1 1.428 . . . . . . . . . . . 6960 1 65 . 1 1 8 8 ILE HG13 H 1 1.130 . . . . . . . . . . . 6960 1 66 . 1 1 8 8 ILE HG21 H 1 0.860 . . . . . . . . . . . 6960 1 67 . 1 1 8 8 ILE HG22 H 1 0.860 . . . . . . . . . . . 6960 1 68 . 1 1 8 8 ILE HG23 H 1 0.860 . . . . . . . . . . . 6960 1 69 . 1 1 8 8 ILE HD11 H 1 0.826 . . . . . . . . . . . 6960 1 70 . 1 1 8 8 ILE HD12 H 1 0.826 . . . . . . . . . . . 6960 1 71 . 1 1 8 8 ILE HD13 H 1 0.826 . . . . . . . . . . . 6960 1 72 . 1 1 8 8 ILE CA C 13 59.815 . . . . . . . . . . . 6960 1 73 . 1 1 8 8 ILE CB C 13 39.023 . . . . . . . . . . . 6960 1 74 . 1 1 8 8 ILE CG1 C 13 27.039 . . . . . . . . . . . 6960 1 75 . 1 1 8 8 ILE CG2 C 13 17.517 . . . . . . . . . . . 6960 1 76 . 1 1 8 8 ILE CD1 C 13 12.453 . . . . . . . . . . . 6960 1 77 . 1 1 8 8 ILE N N 15 123.000 . . . . . . . . . . . 6960 1 78 . 1 1 9 9 PHE H H 1 8.944 . . . . . . . . . . . 6960 1 79 . 1 1 9 9 PHE HA H 1 4.643 . . . . . . . . . . . 6960 1 80 . 1 1 9 9 PHE HB2 H 1 2.857 . . . . . . . . . . . 6960 1 81 . 1 1 9 9 PHE HD1 H 1 7.326 . . . . . . . . . . . 6960 1 82 . 1 1 9 9 PHE HE1 H 1 7.399 . . . . . . . . . . . 6960 1 83 . 1 1 9 9 PHE HZ H 1 7.366 . . . . . . . . . . . 6960 1 84 . 1 1 9 9 PHE CA C 13 57.239 . . . . . . . . . . . 6960 1 85 . 1 1 9 9 PHE CB C 13 41.110 . . . . . . . . . . . 6960 1 86 . 1 1 9 9 PHE CD1 C 13 129.603 . . . . . . . . . . . 6960 1 87 . 1 1 9 9 PHE CE1 C 13 129.198 . . . . . . . . . . . 6960 1 88 . 1 1 9 9 PHE CZ C 13 127.783 . . . . . . . . . . . 6960 1 89 . 1 1 9 9 PHE N N 15 125.466 . . . . . . . . . . . 6960 1 90 . 1 1 10 10 LYS H H 1 9.227 . . . . . . . . . . . 6960 1 91 . 1 1 10 10 LYS HA H 1 4.681 . . . . . . . . . . . 6960 1 92 . 1 1 10 10 LYS HB2 H 1 2.161 . . . . . . . . . . . 6960 1 93 . 1 1 10 10 LYS HB3 H 1 1.687 . . . . . . . . . . . 6960 1 94 . 1 1 10 10 LYS HG2 H 1 1.655 . . . . . . . . . . . 6960 1 95 . 1 1 10 10 LYS HG3 H 1 1.549 . . . . . . . . . . . 6960 1 96 . 1 1 10 10 LYS HD2 H 1 1.714 . . . . . . . . . . . 6960 1 97 . 1 1 10 10 LYS HE2 H 1 3.002 . . . . . . . . . . . 6960 1 98 . 1 1 10 10 LYS CA C 13 54.355 . . . . . . . . . . . 6960 1 99 . 1 1 10 10 LYS CB C 13 31.628 . . . . . . . . . . . 6960 1 100 . 1 1 10 10 LYS CG C 13 25.236 . . . . . . . . . . . 6960 1 101 . 1 1 10 10 LYS CD C 13 28.787 . . . . . . . . . . . 6960 1 102 . 1 1 10 10 LYS CE C 13 41.808 . . . . . . . . . . . 6960 1 103 . 1 1 10 10 LYS N N 15 123.848 . . . . . . . . . . . 6960 1 104 . 1 1 11 11 PRO HA H 1 4.227 . . . . . . . . . . . 6960 1 105 . 1 1 11 11 PRO HB2 H 1 2.442 . . . . . . . . . . . 6960 1 106 . 1 1 11 11 PRO HB3 H 1 2.036 . . . . . . . . . . . 6960 1 107 . 1 1 11 11 PRO HG2 H 1 2.275 . . . . . . . . . . . 6960 1 108 . 1 1 11 11 PRO HG3 H 1 2.183 . . . . . . . . . . . 6960 1 109 . 1 1 11 11 PRO HD2 H 1 3.936 . . . . . . . . . . . 6960 1 110 . 1 1 11 11 PRO HD3 H 1 3.930 . . . . . . . . . . . 6960 1 111 . 1 1 11 11 PRO CA C 13 66.192 . . . . . . . . . . . 6960 1 112 . 1 1 11 11 PRO CB C 13 32.102 . . . . . . . . . . . 6960 1 113 . 1 1 11 11 PRO CG C 13 27.841 . . . . . . . . . . . 6960 1 114 . 1 1 11 11 PRO CD C 13 50.570 . . . . . . . . . . . 6960 1 115 . 1 1 12 12 GLU H H 1 9.763 . . . . . . . . . . . 6960 1 116 . 1 1 12 12 GLU HA H 1 4.148 . . . . . . . . . . . 6960 1 117 . 1 1 12 12 GLU HB2 H 1 2.037 . . . . . . . . . . . 6960 1 118 . 1 1 12 12 GLU HG2 H 1 2.335 . . . . . . . . . . . 6960 1 119 . 1 1 12 12 GLU CA C 13 59.563 . . . . . . . . . . . 6960 1 120 . 1 1 12 12 GLU CB C 13 28.377 . . . . . . . . . . . 6960 1 121 . 1 1 12 12 GLU CG C 13 35.868 . . . . . . . . . . . 6960 1 122 . 1 1 12 12 GLU N N 15 118.058 . . . . . . . . . . . 6960 1 123 . 1 1 13 13 GLU H H 1 7.208 . . . . . . . . . . . 6960 1 124 . 1 1 13 13 GLU HA H 1 4.130 . . . . . . . . . . . 6960 1 125 . 1 1 13 13 GLU HB2 H 1 2.339 . . . . . . . . . . . 6960 1 126 . 1 1 13 13 GLU HB3 H 1 2.216 . . . . . . . . . . . 6960 1 127 . 1 1 13 13 GLU HG2 H 1 2.355 . . . . . . . . . . . 6960 1 128 . 1 1 13 13 GLU HG3 H 1 2.200 . . . . . . . . . . . 6960 1 129 . 1 1 13 13 GLU CA C 13 59.156 . . . . . . . . . . . 6960 1 130 . 1 1 13 13 GLU CB C 13 29.971 . . . . . . . . . . . 6960 1 131 . 1 1 13 13 GLU CG C 13 36.690 . . . . . . . . . . . 6960 1 132 . 1 1 13 13 GLU N N 15 119.994 . . . . . . . . . . . 6960 1 133 . 1 1 14 14 LEU H H 1 7.828 . . . . . . . . . . . 6960 1 134 . 1 1 14 14 LEU HA H 1 3.793 . . . . . . . . . . . 6960 1 135 . 1 1 14 14 LEU HB2 H 1 1.653 . . . . . . . . . . . 6960 1 136 . 1 1 14 14 LEU HB3 H 1 1.312 . . . . . . . . . . . 6960 1 137 . 1 1 14 14 LEU HG H 1 1.402 . . . . . . . . . . . 6960 1 138 . 1 1 14 14 LEU HD11 H 1 0.350 . . . . . . . . . . . 6960 1 139 . 1 1 14 14 LEU HD12 H 1 0.350 . . . . . . . . . . . 6960 1 140 . 1 1 14 14 LEU HD13 H 1 0.350 . . . . . . . . . . . 6960 1 141 . 1 1 14 14 LEU HD21 H 1 0.268 . . . . . . . . . . . 6960 1 142 . 1 1 14 14 LEU HD22 H 1 0.268 . . . . . . . . . . . 6960 1 143 . 1 1 14 14 LEU HD23 H 1 0.268 . . . . . . . . . . . 6960 1 144 . 1 1 14 14 LEU CA C 13 57.718 . . . . . . . . . . . 6960 1 145 . 1 1 14 14 LEU CB C 13 41.120 . . . . . . . . . . . 6960 1 146 . 1 1 14 14 LEU CG C 13 26.420 . . . . . . . . . . . 6960 1 147 . 1 1 14 14 LEU CD1 C 13 25.236 . . . . . . . . . . . 6960 1 148 . 1 1 14 14 LEU CD2 C 13 24.260 . . . . . . . . . . . 6960 1 149 . 1 1 14 14 LEU N N 15 119.377 . . . . . . . . . . . 6960 1 150 . 1 1 15 15 ARG H H 1 8.134 . . . . . . . . . . . 6960 1 151 . 1 1 15 15 ARG HA H 1 3.668 . . . . . . . . . . . 6960 1 152 . 1 1 15 15 ARG HB2 H 1 1.903 . . . . . . . . . . . 6960 1 153 . 1 1 15 15 ARG HG2 H 1 1.539 . . . . . . . . . . . 6960 1 154 . 1 1 15 15 ARG HG3 H 1 1.460 . . . . . . . . . . . 6960 1 155 . 1 1 15 15 ARG HD2 H 1 3.278 . . . . . . . . . . . 6960 1 156 . 1 1 15 15 ARG HD3 H 1 2.850 . . . . . . . . . . . 6960 1 157 . 1 1 15 15 ARG HE H 1 7.802 . . . . . . . . . . . 6960 1 158 . 1 1 15 15 ARG CA C 13 60.594 . . . . . . . . . . . 6960 1 159 . 1 1 15 15 ARG CB C 13 29.734 . . . . . . . . . . . 6960 1 160 . 1 1 15 15 ARG CG C 13 28.314 . . . . . . . . . . . 6960 1 161 . 1 1 15 15 ARG CD C 13 43.437 . . . . . . . . . . . 6960 1 162 . 1 1 15 15 ARG N N 15 118.607 . . . . . . . . . . . 6960 1 163 . 1 1 16 16 GLN H H 1 7.808 . . . . . . . . . . . 6960 1 164 . 1 1 16 16 GLN HA H 1 3.921 . . . . . . . . . . . 6960 1 165 . 1 1 16 16 GLN HB2 H 1 2.107 . . . . . . . . . . . 6960 1 166 . 1 1 16 16 GLN HB3 H 1 2.075 . . . . . . . . . . . 6960 1 167 . 1 1 16 16 GLN HG2 H 1 2.484 . . . . . . . . . . . 6960 1 168 . 1 1 16 16 GLN HG3 H 1 2.393 . . . . . . . . . . . 6960 1 169 . 1 1 16 16 GLN HE21 H 1 7.588 . . . . . . . . . . . 6960 1 170 . 1 1 16 16 GLN HE22 H 1 6.819 . . . . . . . . . . . 6960 1 171 . 1 1 16 16 GLN CA C 13 58.379 . . . . . . . . . . . 6960 1 172 . 1 1 16 16 GLN CB C 13 27.998 . . . . . . . . . . . 6960 1 173 . 1 1 16 16 GLN CG C 13 33.759 . . . . . . . . . . . 6960 1 174 . 1 1 16 16 GLN N N 15 115.601 . . . . . . . . . . . 6960 1 175 . 1 1 16 16 GLN NE2 N 15 111.670 . . . . . . . . . . . 6960 1 176 . 1 1 17 17 ALA H H 1 7.417 . . . . . . . . . . . 6960 1 177 . 1 1 17 17 ALA HA H 1 4.187 . . . . . . . . . . . 6960 1 178 . 1 1 17 17 ALA HB1 H 1 1.334 . . . . . . . . . . . 6960 1 179 . 1 1 17 17 ALA HB2 H 1 1.334 . . . . . . . . . . . 6960 1 180 . 1 1 17 17 ALA HB3 H 1 1.334 . . . . . . . . . . . 6960 1 181 . 1 1 17 17 ALA CA C 13 53.969 . . . . . . . . . . . 6960 1 182 . 1 1 17 17 ALA CB C 13 19.318 . . . . . . . . . . . 6960 1 183 . 1 1 17 17 ALA N N 15 117.142 . . . . . . . . . . . 6960 1 184 . 1 1 18 18 LEU H H 1 7.989 . . . . . . . . . . . 6960 1 185 . 1 1 18 18 LEU HA H 1 4.185 . . . . . . . . . . . 6960 1 186 . 1 1 18 18 LEU HB2 H 1 1.352 . . . . . . . . . . . 6960 1 187 . 1 1 18 18 LEU HB3 H 1 0.327 . . . . . . . . . . . 6960 1 188 . 1 1 18 18 LEU HG H 1 1.547 . . . . . . . . . . . 6960 1 189 . 1 1 18 18 LEU HD11 H 1 0.232 . . . . . . . . . . . 6960 1 190 . 1 1 18 18 LEU HD12 H 1 0.232 . . . . . . . . . . . 6960 1 191 . 1 1 18 18 LEU HD13 H 1 0.232 . . . . . . . . . . . 6960 1 192 . 1 1 18 18 LEU HD21 H 1 0.510 . . . . . . . . . . . 6960 1 193 . 1 1 18 18 LEU HD22 H 1 0.510 . . . . . . . . . . . 6960 1 194 . 1 1 18 18 LEU HD23 H 1 0.510 . . . . . . . . . . . 6960 1 195 . 1 1 18 18 LEU CA C 13 55.302 . . . . . . . . . . . 6960 1 196 . 1 1 18 18 LEU CB C 13 41.334 . . . . . . . . . . . 6960 1 197 . 1 1 18 18 LEU CG C 13 26.275 . . . . . . . . . . . 6960 1 198 . 1 1 18 18 LEU CD1 C 13 24.526 . . . . . . . . . . . 6960 1 199 . 1 1 18 18 LEU CD2 C 13 21.304 . . . . . . . . . . . 6960 1 200 . 1 1 18 18 LEU N N 15 111.131 . . . . . . . . . . . 6960 1 201 . 1 1 19 19 MET H H 1 8.684 . . . . . . . . . . . 6960 1 202 . 1 1 19 19 MET HA H 1 4.424 . . . . . . . . . . . 6960 1 203 . 1 1 19 19 MET HB2 H 1 2.203 . . . . . . . . . . . 6960 1 204 . 1 1 19 19 MET HG2 H 1 2.660 . . . . . . . . . . . 6960 1 205 . 1 1 19 19 MET HG3 H 1 2.558 . . . . . . . . . . . 6960 1 206 . 1 1 19 19 MET HE1 H 1 2.013 . . . . . . . . . . . 6960 1 207 . 1 1 19 19 MET HE2 H 1 2.013 . . . . . . . . . . . 6960 1 208 . 1 1 19 19 MET HE3 H 1 2.013 . . . . . . . . . . . 6960 1 209 . 1 1 19 19 MET CA C 13 59.090 . . . . . . . . . . . 6960 1 210 . 1 1 19 19 MET CB C 13 28.551 . . . . . . . . . . . 6960 1 211 . 1 1 19 19 MET CG C 13 32.575 . . . . . . . . . . . 6960 1 212 . 1 1 19 19 MET CE C 13 17.281 . . . . . . . . . . . 6960 1 213 . 1 1 19 19 MET N N 15 123.154 . . . . . . . . . . . 6960 1 214 . 1 1 20 20 PRO HA H 1 4.434 . . . . . . . . . . . 6960 1 215 . 1 1 20 20 PRO HB2 H 1 2.414 . . . . . . . . . . . 6960 1 216 . 1 1 20 20 PRO HB3 H 1 1.739 . . . . . . . . . . . 6960 1 217 . 1 1 20 20 PRO HG2 H 1 2.124 . . . . . . . . . . . 6960 1 218 . 1 1 20 20 PRO HG3 H 1 1.969 . . . . . . . . . . . 6960 1 219 . 1 1 20 20 PRO HD2 H 1 3.629 . . . . . . . . . . . 6960 1 220 . 1 1 20 20 PRO HD3 H 1 3.329 . . . . . . . . . . . 6960 1 221 . 1 1 20 20 PRO CA C 13 66.428 . . . . . . . . . . . 6960 1 222 . 1 1 20 20 PRO CB C 13 31.392 . . . . . . . . . . . 6960 1 223 . 1 1 20 20 PRO CG C 13 28.787 . . . . . . . . . . . 6960 1 224 . 1 1 20 20 PRO CD C 13 51.041 . . . . . . . . . . . 6960 1 225 . 1 1 21 21 THR H H 1 7.482 . . . . . . . . . . . 6960 1 226 . 1 1 21 21 THR HA H 1 4.148 . . . . . . . . . . . 6960 1 227 . 1 1 21 21 THR HB H 1 4.195 . . . . . . . . . . . 6960 1 228 . 1 1 21 21 THR HG21 H 1 1.308 . . . . . . . . . . . 6960 1 229 . 1 1 21 21 THR HG22 H 1 1.308 . . . . . . . . . . . 6960 1 230 . 1 1 21 21 THR HG23 H 1 1.308 . . . . . . . . . . . 6960 1 231 . 1 1 21 21 THR CA C 13 64.620 . . . . . . . . . . . 6960 1 232 . 1 1 21 21 THR CB C 13 69.743 . . . . . . . . . . . 6960 1 233 . 1 1 21 21 THR CG2 C 13 23.200 . . . . . . . . . . . 6960 1 234 . 1 1 21 21 THR N N 15 126.699 . . . . . . . . . . . 6960 1 235 . 1 1 22 22 LEU H H 1 7.011 . . . . . . . . . . . 6960 1 236 . 1 1 22 22 LEU HA H 1 4.312 . . . . . . . . . . . 6960 1 237 . 1 1 22 22 LEU HB2 H 1 2.206 . . . . . . . . . . . 6960 1 238 . 1 1 22 22 LEU HB3 H 1 2.065 . . . . . . . . . . . 6960 1 239 . 1 1 22 22 LEU HG H 1 1.869 . . . . . . . . . . . 6960 1 240 . 1 1 22 22 LEU HD11 H 1 1.088 . . . . . . . . . . . 6960 1 241 . 1 1 22 22 LEU HD12 H 1 1.088 . . . . . . . . . . . 6960 1 242 . 1 1 22 22 LEU HD13 H 1 1.088 . . . . . . . . . . . 6960 1 243 . 1 1 22 22 LEU HD21 H 1 1.090 . . . . . . . . . . . 6960 1 244 . 1 1 22 22 LEU HD22 H 1 1.090 . . . . . . . . . . . 6960 1 245 . 1 1 22 22 LEU HD23 H 1 1.090 . . . . . . . . . . . 6960 1 246 . 1 1 22 22 LEU CA C 13 57.000 . . . . . . . . . . . 6960 1 247 . 1 1 22 22 LEU CB C 13 41.571 . . . . . . . . . . . 6960 1 248 . 1 1 22 22 LEU CG C 13 27.130 . . . . . . . . . . . 6960 1 249 . 1 1 22 22 LEU CD1 C 13 26.512 . . . . . . . . . . . 6960 1 250 . 1 1 22 22 LEU CD2 C 13 24.382 . . . . . . . . . . . 6960 1 251 . 1 1 22 22 LEU N N 15 125.004 . . . . . . . . . . . 6960 1 252 . 1 1 23 23 GLU H H 1 8.775 . . . . . . . . . . . 6960 1 253 . 1 1 23 23 GLU HA H 1 4.016 . . . . . . . . . . . 6960 1 254 . 1 1 23 23 GLU HB2 H 1 2.017 . . . . . . . . . . . 6960 1 255 . 1 1 23 23 GLU HB3 H 1 1.976 . . . . . . . . . . . 6960 1 256 . 1 1 23 23 GLU HG2 H 1 2.326 . . . . . . . . . . . 6960 1 257 . 1 1 23 23 GLU HG3 H 1 2.116 . . . . . . . . . . . 6960 1 258 . 1 1 23 23 GLU CA C 13 59.636 . . . . . . . . . . . 6960 1 259 . 1 1 23 23 GLU CB C 13 29.261 . . . . . . . . . . . 6960 1 260 . 1 1 23 23 GLU CG C 13 36.690 . . . . . . . . . . . 6960 1 261 . 1 1 23 23 GLU N N 15 119.377 . . . . . . . . . . . 6960 1 262 . 1 1 24 24 ALA H H 1 7.584 . . . . . . . . . . . 6960 1 263 . 1 1 24 24 ALA HA H 1 3.950 . . . . . . . . . . . 6960 1 264 . 1 1 24 24 ALA HB1 H 1 1.409 . . . . . . . . . . . 6960 1 265 . 1 1 24 24 ALA HB2 H 1 1.409 . . . . . . . . . . . 6960 1 266 . 1 1 24 24 ALA HB3 H 1 1.409 . . . . . . . . . . . 6960 1 267 . 1 1 24 24 ALA CA C 13 54.828 . . . . . . . . . . . 6960 1 268 . 1 1 24 24 ALA CB C 13 17.740 . . . . . . . . . . . 6960 1 269 . 1 1 24 24 ALA N N 15 118.915 . . . . . . . . . . . 6960 1 270 . 1 1 25 25 LEU H H 1 7.277 . . . . . . . . . . . 6960 1 271 . 1 1 25 25 LEU HA H 1 4.102 . . . . . . . . . . . 6960 1 272 . 1 1 25 25 LEU HB2 H 1 2.297 . . . . . . . . . . . 6960 1 273 . 1 1 25 25 LEU HB3 H 1 1.087 . . . . . . . . . . . 6960 1 274 . 1 1 25 25 LEU HG H 1 2.374 . . . . . . . . . . . 6960 1 275 . 1 1 25 25 LEU HD11 H 1 0.661 . . . . . . . . . . . 6960 1 276 . 1 1 25 25 LEU HD12 H 1 0.661 . . . . . . . . . . . 6960 1 277 . 1 1 25 25 LEU HD13 H 1 0.661 . . . . . . . . . . . 6960 1 278 . 1 1 25 25 LEU HD21 H 1 0.897 . . . . . . . . . . . 6960 1 279 . 1 1 25 25 LEU HD22 H 1 0.897 . . . . . . . . . . . 6960 1 280 . 1 1 25 25 LEU HD23 H 1 0.897 . . . . . . . . . . . 6960 1 281 . 1 1 25 25 LEU CA C 13 57.432 . . . . . . . . . . . 6960 1 282 . 1 1 25 25 LEU CB C 13 41.098 . . . . . . . . . . . 6960 1 283 . 1 1 25 25 LEU CG C 13 25.947 . . . . . . . . . . . 6960 1 284 . 1 1 25 25 LEU CD1 C 13 25.710 . . . . . . . . . . . 6960 1 285 . 1 1 25 25 LEU CD2 C 13 23.435 . . . . . . . . . . . 6960 1 286 . 1 1 25 25 LEU N N 15 114.753 . . . . . . . . . . . 6960 1 287 . 1 1 26 26 TYR H H 1 7.897 . . . . . . . . . . . 6960 1 288 . 1 1 26 26 TYR HA H 1 3.707 . . . . . . . . . . . 6960 1 289 . 1 1 26 26 TYR HB2 H 1 2.900 . . . . . . . . . . . 6960 1 290 . 1 1 26 26 TYR HD1 H 1 6.935 . . . . . . . . . . . 6960 1 291 . 1 1 26 26 TYR HE1 H 1 6.613 . . . . . . . . . . . 6960 1 292 . 1 1 26 26 TYR CA C 13 62.727 . . . . . . . . . . . 6960 1 293 . 1 1 26 26 TYR CB C 13 39.204 . . . . . . . . . . . 6960 1 294 . 1 1 26 26 TYR CD1 C 13 130.477 . . . . . . . . . . . 6960 1 295 . 1 1 26 26 TYR CE1 C 13 115.240 . . . . . . . . . . . 6960 1 296 . 1 1 26 26 TYR N N 15 116.988 . . . . . . . . . . . 6960 1 297 . 1 1 27 27 ARG H H 1 7.848 . . . . . . . . . . . 6960 1 298 . 1 1 27 27 ARG HA H 1 4.008 . . . . . . . . . . . 6960 1 299 . 1 1 27 27 ARG HB2 H 1 1.897 . . . . . . . . . . . 6960 1 300 . 1 1 27 27 ARG HB3 H 1 1.832 . . . . . . . . . . . 6960 1 301 . 1 1 27 27 ARG HG2 H 1 1.697 . . . . . . . . . . . 6960 1 302 . 1 1 27 27 ARG HD2 H 1 3.174 . . . . . . . . . . . 6960 1 303 . 1 1 27 27 ARG HD3 H 1 3.121 . . . . . . . . . . . 6960 1 304 . 1 1 27 27 ARG CA C 13 57.283 . . . . . . . . . . . 6960 1 305 . 1 1 27 27 ARG CB C 13 29.971 . . . . . . . . . . . 6960 1 306 . 1 1 27 27 ARG CG C 13 27.841 . . . . . . . . . . . 6960 1 307 . 1 1 27 27 ARG CD C 13 43.702 . . . . . . . . . . . 6960 1 308 . 1 1 27 27 ARG N N 15 112.981 . . . . . . . . . . . 6960 1 309 . 1 1 28 28 GLN H H 1 7.257 . . . . . . . . . . . 6960 1 310 . 1 1 28 28 GLN HA H 1 4.113 . . . . . . . . . . . 6960 1 311 . 1 1 28 28 GLN HB2 H 1 2.099 . . . . . . . . . . . 6960 1 312 . 1 1 28 28 GLN HB3 H 1 2.049 . . . . . . . . . . . 6960 1 313 . 1 1 28 28 GLN HG2 H 1 2.807 . . . . . . . . . . . 6960 1 314 . 1 1 28 28 GLN HG3 H 1 2.055 . . . . . . . . . . . 6960 1 315 . 1 1 28 28 GLN HE21 H 1 7.944 . . . . . . . . . . . 6960 1 316 . 1 1 28 28 GLN HE22 H 1 6.992 . . . . . . . . . . . 6960 1 317 . 1 1 28 28 GLN CA C 13 54.828 . . . . . . . . . . . 6960 1 318 . 1 1 28 28 GLN CB C 13 26.183 . . . . . . . . . . . 6960 1 319 . 1 1 28 28 GLN CG C 13 32.666 . . . . . . . . . . . 6960 1 320 . 1 1 28 28 GLN N N 15 117.374 . . . . . . . . . . . 6960 1 321 . 1 1 28 28 GLN NE2 N 15 115.370 . . . . . . . . . . . 6960 1 322 . 1 1 29 29 ASP H H 1 8.257 . . . . . . . . . . . 6960 1 323 . 1 1 29 29 ASP HA H 1 4.717 . . . . . . . . . . . 6960 1 324 . 1 1 29 29 ASP HB2 H 1 2.787 . . . . . . . . . . . 6960 1 325 . 1 1 29 29 ASP HB3 H 1 2.252 . . . . . . . . . . . 6960 1 326 . 1 1 29 29 ASP CA C 13 50.740 . . . . . . . . . . . 6960 1 327 . 1 1 29 29 ASP CB C 13 43.337 . . . . . . . . . . . 6960 1 328 . 1 1 29 29 ASP N N 15 112.056 . . . . . . . . . . . 6960 1 329 . 1 1 30 30 PRO HA H 1 5.034 . . . . . . . . . . . 6960 1 330 . 1 1 30 30 PRO HB2 H 1 2.103 . . . . . . . . . . . 6960 1 331 . 1 1 30 30 PRO HG2 H 1 1.913 . . . . . . . . . . . 6960 1 332 . 1 1 30 30 PRO HG3 H 1 1.101 . . . . . . . . . . . 6960 1 333 . 1 1 30 30 PRO HD2 H 1 3.342 . . . . . . . . . . . 6960 1 334 . 1 1 30 30 PRO CA C 13 64.851 . . . . . . . . . . . 6960 1 335 . 1 1 30 30 PRO CB C 13 34.469 . . . . . . . . . . . 6960 1 336 . 1 1 30 30 PRO CG C 13 25.000 . . . . . . . . . . . 6960 1 337 . 1 1 30 30 PRO CD C 13 49.857 . . . . . . . . . . . 6960 1 338 . 1 1 31 31 GLU H H 1 9.470 . . . . . . . . . . . 6960 1 339 . 1 1 31 31 GLU HA H 1 2.585 . . . . . . . . . . . 6960 1 340 . 1 1 31 31 GLU HB2 H 1 1.632 . . . . . . . . . . . 6960 1 341 . 1 1 31 31 GLU HG2 H 1 2.305 . . . . . . . . . . . 6960 1 342 . 1 1 31 31 GLU HG3 H 1 1.574 . . . . . . . . . . . 6960 1 343 . 1 1 31 31 GLU CA C 13 61.515 . . . . . . . . . . . 6960 1 344 . 1 1 31 31 GLU CB C 13 27.720 . . . . . . . . . . . 6960 1 345 . 1 1 31 31 GLU CG C 13 38.020 . . . . . . . . . . . 6960 1 346 . 1 1 31 31 GLU N N 15 123.925 . . . . . . . . . . . 6960 1 347 . 1 1 32 32 SER H H 1 8.005 . . . . . . . . . . . 6960 1 348 . 1 1 32 32 SER HA H 1 4.360 . . . . . . . . . . . 6960 1 349 . 1 1 32 32 SER HB2 H 1 4.377 . . . . . . . . . . . 6960 1 350 . 1 1 32 32 SER HB3 H 1 3.656 . . . . . . . . . . . 6960 1 351 . 1 1 32 32 SER CA C 13 60.115 . . . . . . . . . . . 6960 1 352 . 1 1 32 32 SER CB C 13 64.871 . . . . . . . . . . . 6960 1 353 . 1 1 32 32 SER N N 15 123.616 . . . . . . . . . . . 6960 1 354 . 1 1 33 33 LEU H H 1 7.989 . . . . . . . . . . . 6960 1 355 . 1 1 33 33 LEU HA H 1 3.903 . . . . . . . . . . . 6960 1 356 . 1 1 33 33 LEU HB2 H 1 2.088 . . . . . . . . . . . 6960 1 357 . 1 1 33 33 LEU HB3 H 1 1.598 . . . . . . . . . . . 6960 1 358 . 1 1 33 33 LEU HG H 1 1.681 . . . . . . . . . . . 6960 1 359 . 1 1 33 33 LEU HD11 H 1 0.971 . . . . . . . . . . . 6960 1 360 . 1 1 33 33 LEU HD12 H 1 0.971 . . . . . . . . . . . 6960 1 361 . 1 1 33 33 LEU HD13 H 1 0.971 . . . . . . . . . . . 6960 1 362 . 1 1 33 33 LEU HD21 H 1 0.828 . . . . . . . . . . . 6960 1 363 . 1 1 33 33 LEU HD22 H 1 0.828 . . . . . . . . . . . 6960 1 364 . 1 1 33 33 LEU HD23 H 1 0.828 . . . . . . . . . . . 6960 1 365 . 1 1 33 33 LEU CA C 13 60.833 . . . . . . . . . . . 6960 1 366 . 1 1 33 33 LEU CB C 13 37.783 . . . . . . . . . . . 6960 1 367 . 1 1 33 33 LEU CG C 13 28.787 . . . . . . . . . . . 6960 1 368 . 1 1 33 33 LEU CD1 C 13 24.618 . . . . . . . . . . . 6960 1 369 . 1 1 33 33 LEU CD2 C 13 22.396 . . . . . . . . . . . 6960 1 370 . 1 1 33 33 LEU N N 15 124.310 . . . . . . . . . . . 6960 1 371 . 1 1 34 34 PRO HA H 1 4.359 . . . . . . . . . . . 6960 1 372 . 1 1 34 34 PRO HB2 H 1 2.101 . . . . . . . . . . . 6960 1 373 . 1 1 34 34 PRO HB3 H 1 0.610 . . . . . . . . . . . 6960 1 374 . 1 1 34 34 PRO HG2 H 1 1.957 . . . . . . . . . . . 6960 1 375 . 1 1 34 34 PRO HG3 H 1 1.795 . . . . . . . . . . . 6960 1 376 . 1 1 34 34 PRO HD2 H 1 3.804 . . . . . . . . . . . 6960 1 377 . 1 1 34 34 PRO HD3 H 1 3.064 . . . . . . . . . . . 6960 1 378 . 1 1 34 34 PRO CA C 13 64.340 . . . . . . . . . . . 6960 1 379 . 1 1 34 34 PRO CB C 13 30.900 . . . . . . . . . . . 6960 1 380 . 1 1 34 34 PRO CG C 13 27.841 . . . . . . . . . . . 6960 1 381 . 1 1 34 34 PRO CD C 13 50.567 . . . . . . . . . . . 6960 1 382 . 1 1 35 35 PHE H H 1 8.027 . . . . . . . . . . . 6960 1 383 . 1 1 35 35 PHE HA H 1 4.752 . . . . . . . . . . . 6960 1 384 . 1 1 35 35 PHE HB2 H 1 3.846 . . . . . . . . . . . 6960 1 385 . 1 1 35 35 PHE HB3 H 1 2.629 . . . . . . . . . . . 6960 1 386 . 1 1 35 35 PHE HD1 H 1 7.424 . . . . . . . . . . . 6960 1 387 . 1 1 35 35 PHE HE1 H 1 7.358 . . . . . . . . . . . 6960 1 388 . 1 1 35 35 PHE HZ H 1 7.034 . . . . . . . . . . . 6960 1 389 . 1 1 35 35 PHE CA C 13 57.680 . . . . . . . . . . . 6960 1 390 . 1 1 35 35 PHE CB C 13 39.220 . . . . . . . . . . . 6960 1 391 . 1 1 35 35 PHE CD1 C 13 130.436 . . . . . . . . . . . 6960 1 392 . 1 1 35 35 PHE CE1 C 13 128.252 . . . . . . . . . . . 6960 1 393 . 1 1 35 35 PHE CZ C 13 125.963 . . . . . . . . . . . 6960 1 394 . 1 1 35 35 PHE N N 15 113.828 . . . . . . . . . . . 6960 1 395 . 1 1 36 36 ARG H H 1 7.095 . . . . . . . . . . . 6960 1 396 . 1 1 36 36 ARG HA H 1 3.949 . . . . . . . . . . . 6960 1 397 . 1 1 36 36 ARG HB2 H 1 2.117 . . . . . . . . . . . 6960 1 398 . 1 1 36 36 ARG HB3 H 1 1.889 . . . . . . . . . . . 6960 1 399 . 1 1 36 36 ARG HG2 H 1 2.183 . . . . . . . . . . . 6960 1 400 . 1 1 36 36 ARG HG3 H 1 1.325 . . . . . . . . . . . 6960 1 401 . 1 1 36 36 ARG HD2 H 1 3.193 . . . . . . . . . . . 6960 1 402 . 1 1 36 36 ARG HD3 H 1 3.050 . . . . . . . . . . . 6960 1 403 . 1 1 36 36 ARG HE H 1 6.445 . . . . . . . . . . . 6960 1 404 . 1 1 36 36 ARG CA C 13 59.563 . . . . . . . . . . . 6960 1 405 . 1 1 36 36 ARG CB C 13 31.719 . . . . . . . . . . . 6960 1 406 . 1 1 36 36 ARG CG C 13 27.960 . . . . . . . . . . . 6960 1 407 . 1 1 36 36 ARG CD C 13 44.264 . . . . . . . . . . . 6960 1 408 . 1 1 36 36 ARG N N 15 117.759 . . . . . . . . . . . 6960 1 409 . 1 1 37 37 GLN H H 1 7.584 . . . . . . . . . . . 6960 1 410 . 1 1 37 37 GLN HA H 1 4.921 . . . . . . . . . . . 6960 1 411 . 1 1 37 37 GLN HB2 H 1 2.194 . . . . . . . . . . . 6960 1 412 . 1 1 37 37 GLN HB3 H 1 1.774 . . . . . . . . . . . 6960 1 413 . 1 1 37 37 GLN HG2 H 1 2.256 . . . . . . . . . . . 6960 1 414 . 1 1 37 37 GLN HG3 H 1 2.142 . . . . . . . . . . . 6960 1 415 . 1 1 37 37 GLN HE21 H 1 7.423 . . . . . . . . . . . 6960 1 416 . 1 1 37 37 GLN HE22 H 1 6.837 . . . . . . . . . . . 6960 1 417 . 1 1 37 37 GLN CA C 13 53.171 . . . . . . . . . . . 6960 1 418 . 1 1 37 37 GLN CB C 13 28.679 . . . . . . . . . . . 6960 1 419 . 1 1 37 37 GLN CG C 13 32.575 . . . . . . . . . . . 6960 1 420 . 1 1 37 37 GLN N N 15 113.983 . . . . . . . . . . . 6960 1 421 . 1 1 37 37 GLN NE2 N 15 111.516 . . . . . . . . . . . 6960 1 422 . 1 1 38 38 PRO HA H 1 4.141 . . . . . . . . . . . 6960 1 423 . 1 1 38 38 PRO HB2 H 1 2.272 . . . . . . . . . . . 6960 1 424 . 1 1 38 38 PRO HB3 H 1 1.648 . . . . . . . . . . . 6960 1 425 . 1 1 38 38 PRO HG2 H 1 1.970 . . . . . . . . . . . 6960 1 426 . 1 1 38 38 PRO HD2 H 1 3.706 . . . . . . . . . . . 6960 1 427 . 1 1 38 38 PRO HD3 H 1 3.466 . . . . . . . . . . . 6960 1 428 . 1 1 38 38 PRO CA C 13 62.474 . . . . . . . . . . . 6960 1 429 . 1 1 38 38 PRO CB C 13 31.795 . . . . . . . . . . . 6960 1 430 . 1 1 38 38 PRO CG C 13 27.481 . . . . . . . . . . . 6960 1 431 . 1 1 38 38 PRO CD C 13 50.567 . . . . . . . . . . . 6960 1 432 . 1 1 39 39 VAL H H 1 8.460 . . . . . . . . . . . 6960 1 433 . 1 1 39 39 VAL HA H 1 3.202 . . . . . . . . . . . 6960 1 434 . 1 1 39 39 VAL HB H 1 1.471 . . . . . . . . . . . 6960 1 435 . 1 1 39 39 VAL HG11 H 1 0.739 . . . . . . . . . . . 6960 1 436 . 1 1 39 39 VAL HG12 H 1 0.739 . . . . . . . . . . . 6960 1 437 . 1 1 39 39 VAL HG13 H 1 0.739 . . . . . . . . . . . 6960 1 438 . 1 1 39 39 VAL HG21 H 1 -0.369 . . . . . . . . . . . 6960 1 439 . 1 1 39 39 VAL HG22 H 1 -0.369 . . . . . . . . . . . 6960 1 440 . 1 1 39 39 VAL HG23 H 1 -0.369 . . . . . . . . . . . 6960 1 441 . 1 1 39 39 VAL CA C 13 64.620 . . . . . . . . . . . 6960 1 442 . 1 1 39 39 VAL CB C 13 32.440 . . . . . . . . . . . 6960 1 443 . 1 1 39 39 VAL CG1 C 13 23.100 . . . . . . . . . . . 6960 1 444 . 1 1 39 39 VAL CG2 C 13 20.358 . . . . . . . . . . . 6960 1 445 . 1 1 39 39 VAL N N 15 125.466 . . . . . . . . . . . 6960 1 446 . 1 1 40 40 ASP H H 1 7.301 . . . . . . . . . . . 6960 1 447 . 1 1 40 40 ASP HA H 1 5.085 . . . . . . . . . . . 6960 1 448 . 1 1 40 40 ASP HB2 H 1 2.919 . . . . . . . . . . . 6960 1 449 . 1 1 40 40 ASP HB3 H 1 2.384 . . . . . . . . . . . 6960 1 450 . 1 1 40 40 ASP CA C 13 49.950 . . . . . . . . . . . 6960 1 451 . 1 1 40 40 ASP CB C 13 41.622 . . . . . . . . . . . 6960 1 452 . 1 1 40 40 ASP N N 15 128.087 . . . . . . . . . . . 6960 1 453 . 1 1 41 41 PRO HA H 1 3.617 . . . . . . . . . . . 6960 1 454 . 1 1 41 41 PRO HB2 H 1 2.318 . . . . . . . . . . . 6960 1 455 . 1 1 41 41 PRO HB3 H 1 1.731 . . . . . . . . . . . 6960 1 456 . 1 1 41 41 PRO HG2 H 1 1.583 . . . . . . . . . . . 6960 1 457 . 1 1 41 41 PRO HG3 H 1 1.094 . . . . . . . . . . . 6960 1 458 . 1 1 41 41 PRO HD2 H 1 3.777 . . . . . . . . . . . 6960 1 459 . 1 1 41 41 PRO HD3 H 1 3.725 . . . . . . . . . . . 6960 1 460 . 1 1 41 41 PRO CA C 13 64.534 . . . . . . . . . . . 6960 1 461 . 1 1 41 41 PRO CB C 13 33.049 . . . . . . . . . . . 6960 1 462 . 1 1 41 41 PRO CG C 13 27.841 . . . . . . . . . . . 6960 1 463 . 1 1 41 41 PRO CD C 13 51.041 . . . . . . . . . . . 6960 1 464 . 1 1 42 42 GLN H H 1 7.866 . . . . . . . . . . . 6960 1 465 . 1 1 42 42 GLN HA H 1 4.022 . . . . . . . . . . . 6960 1 466 . 1 1 42 42 GLN HB2 H 1 2.108 . . . . . . . . . . . 6960 1 467 . 1 1 42 42 GLN HG2 H 1 2.363 . . . . . . . . . . . 6960 1 468 . 1 1 42 42 GLN HE21 H 1 7.659 . . . . . . . . . . . 6960 1 469 . 1 1 42 42 GLN HE22 H 1 6.874 . . . . . . . . . . . 6960 1 470 . 1 1 42 42 GLN CA C 13 58.143 . . . . . . . . . . . 6960 1 471 . 1 1 42 42 GLN CB C 13 27.841 . . . . . . . . . . . 6960 1 472 . 1 1 42 42 GLN CG C 13 33.996 . . . . . . . . . . . 6960 1 473 . 1 1 42 42 GLN N N 15 115.139 . . . . . . . . . . . 6960 1 474 . 1 1 42 42 GLN NE2 N 15 112.210 . . . . . . . . . . . 6960 1 475 . 1 1 43 43 LEU H H 1 7.418 . . . . . . . . . . . 6960 1 476 . 1 1 43 43 LEU HA H 1 4.005 . . . . . . . . . . . 6960 1 477 . 1 1 43 43 LEU HB2 H 1 1.561 . . . . . . . . . . . 6960 1 478 . 1 1 43 43 LEU HG H 1 1.470 . . . . . . . . . . . 6960 1 479 . 1 1 43 43 LEU HD11 H 1 0.853 . . . . . . . . . . . 6960 1 480 . 1 1 43 43 LEU HD12 H 1 0.853 . . . . . . . . . . . 6960 1 481 . 1 1 43 43 LEU HD13 H 1 0.853 . . . . . . . . . . . 6960 1 482 . 1 1 43 43 LEU HD21 H 1 0.878 . . . . . . . . . . . 6960 1 483 . 1 1 43 43 LEU HD22 H 1 0.878 . . . . . . . . . . . 6960 1 484 . 1 1 43 43 LEU HD23 H 1 0.878 . . . . . . . . . . . 6960 1 485 . 1 1 43 43 LEU CA C 13 57.196 . . . . . . . . . . . 6960 1 486 . 1 1 43 43 LEU CB C 13 42.134 . . . . . . . . . . . 6960 1 487 . 1 1 43 43 LEU CG C 13 26.897 . . . . . . . . . . . 6960 1 488 . 1 1 43 43 LEU CD1 C 13 24.053 . . . . . . . . . . . 6960 1 489 . 1 1 43 43 LEU CD2 C 13 23.343 . . . . . . . . . . . 6960 1 490 . 1 1 43 43 LEU N N 15 121.921 . . . . . . . . . . . 6960 1 491 . 1 1 44 44 LEU H H 1 7.535 . . . . . . . . . . . 6960 1 492 . 1 1 44 44 LEU HA H 1 4.192 . . . . . . . . . . . 6960 1 493 . 1 1 44 44 LEU HB2 H 1 1.405 . . . . . . . . . . . 6960 1 494 . 1 1 44 44 LEU HB3 H 1 1.400 . . . . . . . . . . . 6960 1 495 . 1 1 44 44 LEU HG H 1 1.699 . . . . . . . . . . . 6960 1 496 . 1 1 44 44 LEU HD11 H 1 0.743 . . . . . . . . . . . 6960 1 497 . 1 1 44 44 LEU HD12 H 1 0.743 . . . . . . . . . . . 6960 1 498 . 1 1 44 44 LEU HD13 H 1 0.743 . . . . . . . . . . . 6960 1 499 . 1 1 44 44 LEU HD21 H 1 0.823 . . . . . . . . . . . 6960 1 500 . 1 1 44 44 LEU HD22 H 1 0.823 . . . . . . . . . . . 6960 1 501 . 1 1 44 44 LEU HD23 H 1 0.823 . . . . . . . . . . . 6960 1 502 . 1 1 44 44 LEU CA C 13 54.564 . . . . . . . . . . . 6960 1 503 . 1 1 44 44 LEU CB C 13 43.252 . . . . . . . . . . . 6960 1 504 . 1 1 44 44 LEU CG C 13 26.985 . . . . . . . . . . . 6960 1 505 . 1 1 44 44 LEU CD1 C 13 26.271 . . . . . . . . . . . 6960 1 506 . 1 1 44 44 LEU CD2 C 13 21.969 . . . . . . . . . . . 6960 1 507 . 1 1 44 44 LEU N N 15 114.214 . . . . . . . . . . . 6960 1 508 . 1 1 45 45 GLY H H 1 7.392 . . . . . . . . . . . 6960 1 509 . 1 1 45 45 GLY HA2 H 1 3.907 . . . . . . . . . . . 6960 1 510 . 1 1 45 45 GLY N N 15 127.932 . . . . . . . . . . . 6960 1 511 . 1 1 46 46 ILE H H 1 7.863 . . . . . . . . . . . 6960 1 512 . 1 1 46 46 ILE HA H 1 4.871 . . . . . . . . . . . 6960 1 513 . 1 1 46 46 ILE HB H 1 2.265 . . . . . . . . . . . 6960 1 514 . 1 1 46 46 ILE HG12 H 1 1.649 . . . . . . . . . . . 6960 1 515 . 1 1 46 46 ILE HG13 H 1 0.628 . . . . . . . . . . . 6960 1 516 . 1 1 46 46 ILE HG21 H 1 0.734 . . . . . . . . . . . 6960 1 517 . 1 1 46 46 ILE HG22 H 1 0.734 . . . . . . . . . . . 6960 1 518 . 1 1 46 46 ILE HG23 H 1 0.734 . . . . . . . . . . . 6960 1 519 . 1 1 46 46 ILE HD11 H 1 0.371 . . . . . . . . . . . 6960 1 520 . 1 1 46 46 ILE HD12 H 1 0.371 . . . . . . . . . . . 6960 1 521 . 1 1 46 46 ILE HD13 H 1 0.371 . . . . . . . . . . . 6960 1 522 . 1 1 46 46 ILE CA C 13 57.432 . . . . . . . . . . . 6960 1 523 . 1 1 46 46 ILE CB C 13 38.117 . . . . . . . . . . . 6960 1 524 . 1 1 46 46 ILE CG1 C 13 25.236 . . . . . . . . . . . 6960 1 525 . 1 1 46 46 ILE CG2 C 13 18.749 . . . . . . . . . . . 6960 1 526 . 1 1 46 46 ILE CD1 C 13 13.873 . . . . . . . . . . . 6960 1 527 . 1 1 46 46 ILE N N 15 111.902 . . . . . . . . . . . 6960 1 528 . 1 1 47 47 PRO HA H 1 4.051 . . . . . . . . . . . 6960 1 529 . 1 1 47 47 PRO HB2 H 1 2.220 . . . . . . . . . . . 6960 1 530 . 1 1 47 47 PRO HB3 H 1 2.029 . . . . . . . . . . . 6960 1 531 . 1 1 47 47 PRO HG2 H 1 1.925 . . . . . . . . . . . 6960 1 532 . 1 1 47 47 PRO HD2 H 1 3.727 . . . . . . . . . . . 6960 1 533 . 1 1 47 47 PRO HD3 H 1 3.278 . . . . . . . . . . . 6960 1 534 . 1 1 47 47 PRO CA C 13 64.771 . . . . . . . . . . . 6960 1 535 . 1 1 47 47 PRO CB C 13 31.865 . . . . . . . . . . . 6960 1 536 . 1 1 47 47 PRO CG C 13 26.894 . . . . . . . . . . . 6960 1 537 . 1 1 47 47 PRO CD C 13 50.567 . . . . . . . . . . . 6960 1 538 . 1 1 48 48 ASP H H 1 8.432 . . . . . . . . . . . 6960 1 539 . 1 1 48 48 ASP HA H 1 4.603 . . . . . . . . . . . 6960 1 540 . 1 1 48 48 ASP HB2 H 1 3.125 . . . . . . . . . . . 6960 1 541 . 1 1 48 48 ASP HB3 H 1 2.647 . . . . . . . . . . . 6960 1 542 . 1 1 48 48 ASP CA C 13 53.366 . . . . . . . . . . . 6960 1 543 . 1 1 48 48 ASP CB C 13 40.184 . . . . . . . . . . . 6960 1 544 . 1 1 48 48 ASP N N 15 118.376 . . . . . . . . . . . 6960 1 545 . 1 1 49 49 TYR H H 1 8.006 . . . . . . . . . . . 6960 1 546 . 1 1 49 49 TYR HA H 1 3.583 . . . . . . . . . . . 6960 1 547 . 1 1 49 49 TYR HB2 H 1 2.781 . . . . . . . . . . . 6960 1 548 . 1 1 49 49 TYR HB3 H 1 1.981 . . . . . . . . . . . 6960 1 549 . 1 1 49 49 TYR HD1 H 1 5.422 . . . . . . . . . . . 6960 1 550 . 1 1 49 49 TYR HE1 H 1 6.155 . . . . . . . . . . . 6960 1 551 . 1 1 49 49 TYR CA C 13 63.672 . . . . . . . . . . . 6960 1 552 . 1 1 49 49 TYR CB C 13 39.294 . . . . . . . . . . . 6960 1 553 . 1 1 49 49 TYR CD1 C 13 130.683 . . . . . . . . . . . 6960 1 554 . 1 1 49 49 TYR CE1 C 13 114.312 . . . . . . . . . . . 6960 1 555 . 1 1 49 49 TYR N N 15 122.152 . . . . . . . . . . . 6960 1 556 . 1 1 50 50 PHE H H 1 8.513 . . . . . . . . . . . 6960 1 557 . 1 1 50 50 PHE HA H 1 4.976 . . . . . . . . . . . 6960 1 558 . 1 1 50 50 PHE HB2 H 1 3.470 . . . . . . . . . . . 6960 1 559 . 1 1 50 50 PHE HB3 H 1 2.939 . . . . . . . . . . . 6960 1 560 . 1 1 50 50 PHE HD1 H 1 7.405 . . . . . . . . . . . 6960 1 561 . 1 1 50 50 PHE HE1 H 1 7.399 . . . . . . . . . . . 6960 1 562 . 1 1 50 50 PHE HZ H 1 7.379 . . . . . . . . . . . 6960 1 563 . 1 1 50 50 PHE CA C 13 57.239 . . . . . . . . . . . 6960 1 564 . 1 1 50 50 PHE CB C 13 37.310 . . . . . . . . . . . 6960 1 565 . 1 1 50 50 PHE CD1 C 13 128.859 . . . . . . . . . . . 6960 1 566 . 1 1 50 50 PHE CE1 C 13 129.198 . . . . . . . . . . . 6960 1 567 . 1 1 50 50 PHE CZ C 13 127.379 . . . . . . . . . . . 6960 1 568 . 1 1 50 50 PHE N N 15 113.289 . . . . . . . . . . . 6960 1 569 . 1 1 51 51 ASP H H 1 7.639 . . . . . . . . . . . 6960 1 570 . 1 1 51 51 ASP HA H 1 4.458 . . . . . . . . . . . 6960 1 571 . 1 1 51 51 ASP HB2 H 1 2.942 . . . . . . . . . . . 6960 1 572 . 1 1 51 51 ASP HB3 H 1 2.689 . . . . . . . . . . . 6960 1 573 . 1 1 51 51 ASP CA C 13 56.003 . . . . . . . . . . . 6960 1 574 . 1 1 51 51 ASP CB C 13 40.410 . . . . . . . . . . . 6960 1 575 . 1 1 51 51 ASP N N 15 117.759 . . . . . . . . . . . 6960 1 576 . 1 1 52 52 ILE H H 1 7.182 . . . . . . . . . . . 6960 1 577 . 1 1 52 52 ILE HA H 1 3.988 . . . . . . . . . . . 6960 1 578 . 1 1 52 52 ILE HB H 1 1.823 . . . . . . . . . . . 6960 1 579 . 1 1 52 52 ILE HG12 H 1 1.562 . . . . . . . . . . . 6960 1 580 . 1 1 52 52 ILE HG13 H 1 1.391 . . . . . . . . . . . 6960 1 581 . 1 1 52 52 ILE HG21 H 1 0.997 . . . . . . . . . . . 6960 1 582 . 1 1 52 52 ILE HG22 H 1 0.997 . . . . . . . . . . . 6960 1 583 . 1 1 52 52 ILE HG23 H 1 0.997 . . . . . . . . . . . 6960 1 584 . 1 1 52 52 ILE HD11 H 1 0.883 . . . . . . . . . . . 6960 1 585 . 1 1 52 52 ILE HD12 H 1 0.883 . . . . . . . . . . . 6960 1 586 . 1 1 52 52 ILE HD13 H 1 0.883 . . . . . . . . . . . 6960 1 587 . 1 1 52 52 ILE CA C 13 61.457 . . . . . . . . . . . 6960 1 588 . 1 1 52 52 ILE CB C 13 39.677 . . . . . . . . . . . 6960 1 589 . 1 1 52 52 ILE CG1 C 13 28.077 . . . . . . . . . . . 6960 1 590 . 1 1 52 52 ILE CG2 C 13 17.424 . . . . . . . . . . . 6960 1 591 . 1 1 52 52 ILE CD1 C 13 11.790 . . . . . . . . . . . 6960 1 592 . 1 1 52 52 ILE N N 15 118.838 . . . . . . . . . . . 6960 1 593 . 1 1 53 53 VAL H H 1 8.617 . . . . . . . . . . . 6960 1 594 . 1 1 53 53 VAL HA H 1 3.530 . . . . . . . . . . . 6960 1 595 . 1 1 53 53 VAL HB H 1 1.023 . . . . . . . . . . . 6960 1 596 . 1 1 53 53 VAL HG11 H 1 0.442 . . . . . . . . . . . 6960 1 597 . 1 1 53 53 VAL HG12 H 1 0.442 . . . . . . . . . . . 6960 1 598 . 1 1 53 53 VAL HG13 H 1 0.442 . . . . . . . . . . . 6960 1 599 . 1 1 53 53 VAL HG21 H 1 0.609 . . . . . . . . . . . 6960 1 600 . 1 1 53 53 VAL HG22 H 1 0.609 . . . . . . . . . . . 6960 1 601 . 1 1 53 53 VAL HG23 H 1 0.609 . . . . . . . . . . . 6960 1 602 . 1 1 53 53 VAL CA C 13 62.474 . . . . . . . . . . . 6960 1 603 . 1 1 53 53 VAL CB C 13 30.836 . . . . . . . . . . . 6960 1 604 . 1 1 53 53 VAL CG1 C 13 21.489 . . . . . . . . . . . 6960 1 605 . 1 1 53 53 VAL CG2 C 13 19.810 . . . . . . . . . . . 6960 1 606 . 1 1 53 53 VAL N N 15 122.460 . . . . . . . . . . . 6960 1 607 . 1 1 54 54 LYS H H 1 7.655 . . . . . . . . . . . 6960 1 608 . 1 1 54 54 LYS HA H 1 4.258 . . . . . . . . . . . 6960 1 609 . 1 1 54 54 LYS HB2 H 1 1.819 . . . . . . . . . . . 6960 1 610 . 1 1 54 54 LYS HB3 H 1 1.651 . . . . . . . . . . . 6960 1 611 . 1 1 54 54 LYS HG2 H 1 1.456 . . . . . . . . . . . 6960 1 612 . 1 1 54 54 LYS HG3 H 1 1.348 . . . . . . . . . . . 6960 1 613 . 1 1 54 54 LYS HD2 H 1 1.584 . . . . . . . . . . . 6960 1 614 . 1 1 54 54 LYS HE2 H 1 2.928 . . . . . . . . . . . 6960 1 615 . 1 1 54 54 LYS CA C 13 56.249 . . . . . . . . . . . 6960 1 616 . 1 1 54 54 LYS CB C 13 32.338 . . . . . . . . . . . 6960 1 617 . 1 1 54 54 LYS CG C 13 24.526 . . . . . . . . . . . 6960 1 618 . 1 1 54 54 LYS CD C 13 27.841 . . . . . . . . . . . 6960 1 619 . 1 1 54 54 LYS CE C 13 42.518 . . . . . . . . . . . 6960 1 620 . 1 1 54 54 LYS N N 15 123.154 . . . . . . . . . . . 6960 1 621 . 1 1 55 55 ASN H H 1 8.585 . . . . . . . . . . . 6960 1 622 . 1 1 55 55 ASN HA H 1 5.245 . . . . . . . . . . . 6960 1 623 . 1 1 55 55 ASN HB2 H 1 2.748 . . . . . . . . . . . 6960 1 624 . 1 1 55 55 ASN HD21 H 1 6.900 . . . . . . . . . . . 6960 1 625 . 1 1 55 55 ASN HD22 H 1 7.614 . . . . . . . . . . . 6960 1 626 . 1 1 55 55 ASN CA C 13 50.530 . . . . . . . . . . . 6960 1 627 . 1 1 55 55 ASN CB C 13 40.240 . . . . . . . . . . . 6960 1 628 . 1 1 55 55 ASN N N 15 116.988 . . . . . . . . . . . 6960 1 629 . 1 1 55 55 ASN ND2 N 15 114.060 . . . . . . . . . . . 6960 1 630 . 1 1 56 56 PRO HA H 1 4.137 . . . . . . . . . . . 6960 1 631 . 1 1 56 56 PRO HB2 H 1 2.438 . . . . . . . . . . . 6960 1 632 . 1 1 56 56 PRO HB3 H 1 2.141 . . . . . . . . . . . 6960 1 633 . 1 1 56 56 PRO HG2 H 1 2.150 . . . . . . . . . . . 6960 1 634 . 1 1 56 56 PRO HG3 H 1 1.989 . . . . . . . . . . . 6960 1 635 . 1 1 56 56 PRO HD2 H 1 3.701 . . . . . . . . . . . 6960 1 636 . 1 1 56 56 PRO HD3 H 1 3.449 . . . . . . . . . . . 6960 1 637 . 1 1 56 56 PRO CA C 13 62.641 . . . . . . . . . . . 6960 1 638 . 1 1 56 56 PRO CB C 13 32.903 . . . . . . . . . . . 6960 1 639 . 1 1 56 56 PRO CG C 13 27.770 . . . . . . . . . . . 6960 1 640 . 1 1 56 56 PRO CD C 13 50.418 . . . . . . . . . . . 6960 1 641 . 1 1 57 57 MET H H 1 8.420 . . . . . . . . . . . 6960 1 642 . 1 1 57 57 MET HA H 1 5.067 . . . . . . . . . . . 6960 1 643 . 1 1 57 57 MET HB2 H 1 2.174 . . . . . . . . . . . 6960 1 644 . 1 1 57 57 MET HB3 H 1 1.250 . . . . . . . . . . . 6960 1 645 . 1 1 57 57 MET HG2 H 1 3.011 . . . . . . . . . . . 6960 1 646 . 1 1 57 57 MET HG3 H 1 2.924 . . . . . . . . . . . 6960 1 647 . 1 1 57 57 MET HE1 H 1 1.988 . . . . . . . . . . . 6960 1 648 . 1 1 57 57 MET HE2 H 1 1.988 . . . . . . . . . . . 6960 1 649 . 1 1 57 57 MET HE3 H 1 1.988 . . . . . . . . . . . 6960 1 650 . 1 1 57 57 MET CA C 13 54.118 . . . . . . . . . . . 6960 1 651 . 1 1 57 57 MET CB C 13 31.865 . . . . . . . . . . . 6960 1 652 . 1 1 57 57 MET CG C 13 30.681 . . . . . . . . . . . 6960 1 653 . 1 1 57 57 MET CE C 13 14.176 . . . . . . . . . . . 6960 1 654 . 1 1 57 57 MET N N 15 119.069 . . . . . . . . . . . 6960 1 655 . 1 1 58 58 ASP H H 1 7.292 . . . . . . . . . . . 6960 1 656 . 1 1 58 58 ASP HA H 1 4.861 . . . . . . . . . . . 6960 1 657 . 1 1 58 58 ASP HB2 H 1 2.596 . . . . . . . . . . . 6960 1 658 . 1 1 58 58 ASP HB3 H 1 2.303 . . . . . . . . . . . 6960 1 659 . 1 1 58 58 ASP CA C 13 53.366 . . . . . . . . . . . 6960 1 660 . 1 1 58 58 ASP CB C 13 44.108 . . . . . . . . . . . 6960 1 661 . 1 1 58 58 ASP N N 15 120.765 . . . . . . . . . . . 6960 1 662 . 1 1 59 59 LEU H H 1 8.816 . . . . . . . . . . . 6960 1 663 . 1 1 59 59 LEU HA H 1 3.827 . . . . . . . . . . . 6960 1 664 . 1 1 59 59 LEU HB2 H 1 1.725 . . . . . . . . . . . 6960 1 665 . 1 1 59 59 LEU HB3 H 1 1.360 . . . . . . . . . . . 6960 1 666 . 1 1 59 59 LEU HG H 1 1.559 . . . . . . . . . . . 6960 1 667 . 1 1 59 59 LEU HD11 H 1 0.232 . . . . . . . . . . . 6960 1 668 . 1 1 59 59 LEU HD12 H 1 0.232 . . . . . . . . . . . 6960 1 669 . 1 1 59 59 LEU HD13 H 1 0.232 . . . . . . . . . . . 6960 1 670 . 1 1 59 59 LEU HD21 H 1 0.582 . . . . . . . . . . . 6960 1 671 . 1 1 59 59 LEU HD22 H 1 0.582 . . . . . . . . . . . 6960 1 672 . 1 1 59 59 LEU HD23 H 1 0.582 . . . . . . . . . . . 6960 1 673 . 1 1 59 59 LEU CA C 13 58.616 . . . . . . . . . . . 6960 1 674 . 1 1 59 59 LEU CB C 13 42.281 . . . . . . . . . . . 6960 1 675 . 1 1 59 59 LEU CG C 13 26.420 . . . . . . . . . . . 6960 1 676 . 1 1 59 59 LEU CD1 C 13 25.010 . . . . . . . . . . . 6960 1 677 . 1 1 59 59 LEU CD2 C 13 24.125 . . . . . . . . . . . 6960 1 678 . 1 1 59 59 LEU N N 15 119.146 . . . . . . . . . . . 6960 1 679 . 1 1 60 60 SER H H 1 8.235 . . . . . . . . . . . 6960 1 680 . 1 1 60 60 SER HA H 1 4.245 . . . . . . . . . . . 6960 1 681 . 1 1 60 60 SER HB2 H 1 4.353 . . . . . . . . . . . 6960 1 682 . 1 1 60 60 SER HB3 H 1 3.978 . . . . . . . . . . . 6960 1 683 . 1 1 60 60 SER CA C 13 61.930 . . . . . . . . . . . 6960 1 684 . 1 1 60 60 SER CB C 13 61.930 . . . . . . . . . . . 6960 1 685 . 1 1 60 60 SER N N 15 115.678 . . . . . . . . . . . 6960 1 686 . 1 1 61 61 THR H H 1 7.280 . . . . . . . . . . . 6960 1 687 . 1 1 61 61 THR HA H 1 3.882 . . . . . . . . . . . 6960 1 688 . 1 1 61 61 THR HB H 1 4.230 . . . . . . . . . . . 6960 1 689 . 1 1 61 61 THR HG21 H 1 1.137 . . . . . . . . . . . 6960 1 690 . 1 1 61 61 THR HG22 H 1 1.137 . . . . . . . . . . . 6960 1 691 . 1 1 61 61 THR HG23 H 1 1.137 . . . . . . . . . . . 6960 1 692 . 1 1 61 61 THR CA C 13 66.987 . . . . . . . . . . . 6960 1 693 . 1 1 61 61 THR CB C 13 68.264 . . . . . . . . . . . 6960 1 694 . 1 1 61 61 THR CG2 C 13 21.541 . . . . . . . . . . . 6960 1 695 . 1 1 61 61 THR N N 15 124.850 . . . . . . . . . . . 6960 1 696 . 1 1 62 62 ILE H H 1 7.530 . . . . . . . . . . . 6960 1 697 . 1 1 62 62 ILE HA H 1 3.915 . . . . . . . . . . . 6960 1 698 . 1 1 62 62 ILE HB H 1 1.695 . . . . . . . . . . . 6960 1 699 . 1 1 62 62 ILE HG12 H 1 1.863 . . . . . . . . . . . 6960 1 700 . 1 1 62 62 ILE HG13 H 1 0.897 . . . . . . . . . . . 6960 1 701 . 1 1 62 62 ILE HG21 H 1 1.167 . . . . . . . . . . . 6960 1 702 . 1 1 62 62 ILE HG22 H 1 1.167 . . . . . . . . . . . 6960 1 703 . 1 1 62 62 ILE HG23 H 1 1.167 . . . . . . . . . . . 6960 1 704 . 1 1 62 62 ILE HD11 H 1 0.342 . . . . . . . . . . . 6960 1 705 . 1 1 62 62 ILE HD12 H 1 0.342 . . . . . . . . . . . 6960 1 706 . 1 1 62 62 ILE HD13 H 1 0.342 . . . . . . . . . . . 6960 1 707 . 1 1 62 62 ILE CA C 13 65.461 . . . . . . . . . . . 6960 1 708 . 1 1 62 62 ILE CB C 13 38.820 . . . . . . . . . . . 6960 1 709 . 1 1 62 62 ILE CG1 C 13 30.062 . . . . . . . . . . . 6960 1 710 . 1 1 62 62 ILE CG2 C 13 19.174 . . . . . . . . . . . 6960 1 711 . 1 1 62 62 ILE CD1 C 13 14.118 . . . . . . . . . . . 6960 1 712 . 1 1 62 62 ILE N N 15 123.693 . . . . . . . . . . . 6960 1 713 . 1 1 63 63 LYS H H 1 8.783 . . . . . . . . . . . 6960 1 714 . 1 1 63 63 LYS HA H 1 3.693 . . . . . . . . . . . 6960 1 715 . 1 1 63 63 LYS HB2 H 1 1.982 . . . . . . . . . . . 6960 1 716 . 1 1 63 63 LYS HB3 H 1 1.225 . . . . . . . . . . . 6960 1 717 . 1 1 63 63 LYS HG2 H 1 1.461 . . . . . . . . . . . 6960 1 718 . 1 1 63 63 LYS HG3 H 1 1.186 . . . . . . . . . . . 6960 1 719 . 1 1 63 63 LYS HD2 H 1 1.462 . . . . . . . . . . . 6960 1 720 . 1 1 63 63 LYS HE2 H 1 2.801 . . . . . . . . . . . 6960 1 721 . 1 1 63 63 LYS CA C 13 60.360 . . . . . . . . . . . 6960 1 722 . 1 1 63 63 LYS CB C 13 32.575 . . . . . . . . . . . 6960 1 723 . 1 1 63 63 LYS CG C 13 25.230 . . . . . . . . . . . 6960 1 724 . 1 1 63 63 LYS CD C 13 28.919 . . . . . . . . . . . 6960 1 725 . 1 1 63 63 LYS CE C 13 42.101 . . . . . . . . . . . 6960 1 726 . 1 1 63 63 LYS N N 15 119.146 . . . . . . . . . . . 6960 1 727 . 1 1 64 64 ARG H H 1 7.805 . . . . . . . . . . . 6960 1 728 . 1 1 64 64 ARG HA H 1 4.169 . . . . . . . . . . . 6960 1 729 . 1 1 64 64 ARG HB2 H 1 1.978 . . . . . . . . . . . 6960 1 730 . 1 1 64 64 ARG HB3 H 1 1.974 . . . . . . . . . . . 6960 1 731 . 1 1 64 64 ARG HG2 H 1 1.667 . . . . . . . . . . . 6960 1 732 . 1 1 64 64 ARG HG3 H 1 1.503 . . . . . . . . . . . 6960 1 733 . 1 1 64 64 ARG HD2 H 1 3.204 . . . . . . . . . . . 6960 1 734 . 1 1 64 64 ARG CA C 13 59.358 . . . . . . . . . . . 6960 1 735 . 1 1 64 64 ARG CB C 13 29.398 . . . . . . . . . . . 6960 1 736 . 1 1 64 64 ARG CG C 13 27.241 . . . . . . . . . . . 6960 1 737 . 1 1 64 64 ARG CD C 13 42.992 . . . . . . . . . . . 6960 1 738 . 1 1 64 64 ARG N N 15 117.990 . . . . . . . . . . . 6960 1 739 . 1 1 65 65 LYS H H 1 8.487 . . . . . . . . . . . 6960 1 740 . 1 1 65 65 LYS HA H 1 3.417 . . . . . . . . . . . 6960 1 741 . 1 1 65 65 LYS HB2 H 1 1.959 . . . . . . . . . . . 6960 1 742 . 1 1 65 65 LYS HB3 H 1 0.555 . . . . . . . . . . . 6960 1 743 . 1 1 65 65 LYS HG2 H 1 1.858 . . . . . . . . . . . 6960 1 744 . 1 1 65 65 LYS HG3 H 1 0.732 . . . . . . . . . . . 6960 1 745 . 1 1 65 65 LYS HD2 H 1 1.539 . . . . . . . . . . . 6960 1 746 . 1 1 65 65 LYS HD3 H 1 1.355 . . . . . . . . . . . 6960 1 747 . 1 1 65 65 LYS HE2 H 1 2.381 . . . . . . . . . . . 6960 1 748 . 1 1 65 65 LYS HZ1 H 1 6.790 . . . . . . . . . . . 6960 1 749 . 1 1 65 65 LYS HZ2 H 1 6.790 . . . . . . . . . . . 6960 1 750 . 1 1 65 65 LYS HZ3 H 1 6.790 . . . . . . . . . . . 6960 1 751 . 1 1 65 65 LYS CA C 13 61.070 . . . . . . . . . . . 6960 1 752 . 1 1 65 65 LYS CB C 13 31.392 . . . . . . . . . . . 6960 1 753 . 1 1 65 65 LYS CG C 13 26.183 . . . . . . . . . . . 6960 1 754 . 1 1 65 65 LYS CD C 13 28.879 . . . . . . . . . . . 6960 1 755 . 1 1 65 65 LYS CE C 13 41.338 . . . . . . . . . . . 6960 1 756 . 1 1 65 65 LYS N N 15 121.998 . . . . . . . . . . . 6960 1 757 . 1 1 66 66 LEU H H 1 8.568 . . . . . . . . . . . 6960 1 758 . 1 1 66 66 LEU HA H 1 4.353 . . . . . . . . . . . 6960 1 759 . 1 1 66 66 LEU HB2 H 1 1.936 . . . . . . . . . . . 6960 1 760 . 1 1 66 66 LEU HB3 H 1 1.758 . . . . . . . . . . . 6960 1 761 . 1 1 66 66 LEU HG H 1 1.733 . . . . . . . . . . . 6960 1 762 . 1 1 66 66 LEU HD11 H 1 0.735 . . . . . . . . . . . 6960 1 763 . 1 1 66 66 LEU HD12 H 1 0.735 . . . . . . . . . . . 6960 1 764 . 1 1 66 66 LEU HD13 H 1 0.735 . . . . . . . . . . . 6960 1 765 . 1 1 66 66 LEU HD21 H 1 0.832 . . . . . . . . . . . 6960 1 766 . 1 1 66 66 LEU HD22 H 1 0.832 . . . . . . . . . . . 6960 1 767 . 1 1 66 66 LEU HD23 H 1 0.832 . . . . . . . . . . . 6960 1 768 . 1 1 66 66 LEU CA C 13 57.718 . . . . . . . . . . . 6960 1 769 . 1 1 66 66 LEU CB C 13 42.992 . . . . . . . . . . . 6960 1 770 . 1 1 66 66 LEU CG C 13 27.604 . . . . . . . . . . . 6960 1 771 . 1 1 66 66 LEU CD1 C 13 25.560 . . . . . . . . . . . 6960 1 772 . 1 1 66 66 LEU CD2 C 13 25.323 . . . . . . . . . . . 6960 1 773 . 1 1 66 66 LEU N N 15 120.534 . . . . . . . . . . . 6960 1 774 . 1 1 67 67 ASP H H 1 9.128 . . . . . . . . . . . 6960 1 775 . 1 1 67 67 ASP HA H 1 4.352 . . . . . . . . . . . 6960 1 776 . 1 1 67 67 ASP HB2 H 1 2.831 . . . . . . . . . . . 6960 1 777 . 1 1 67 67 ASP HB3 H 1 2.581 . . . . . . . . . . . 6960 1 778 . 1 1 67 67 ASP CA C 13 57.239 . . . . . . . . . . . 6960 1 779 . 1 1 67 67 ASP CB C 13 41.098 . . . . . . . . . . . 6960 1 780 . 1 1 67 67 ASP N N 15 119.994 . . . . . . . . . . . 6960 1 781 . 1 1 68 68 THR H H 1 7.768 . . . . . . . . . . . 6960 1 782 . 1 1 68 68 THR HA H 1 4.501 . . . . . . . . . . . 6960 1 783 . 1 1 68 68 THR HB H 1 4.510 . . . . . . . . . . . 6960 1 784 . 1 1 68 68 THR HG21 H 1 1.225 . . . . . . . . . . . 6960 1 785 . 1 1 68 68 THR HG22 H 1 1.225 . . . . . . . . . . . 6960 1 786 . 1 1 68 68 THR HG23 H 1 1.225 . . . . . . . . . . . 6960 1 787 . 1 1 68 68 THR CA C 13 61.074 . . . . . . . . . . . 6960 1 788 . 1 1 68 68 THR CB C 13 69.820 . . . . . . . . . . . 6960 1 789 . 1 1 68 68 THR CG2 C 13 21.087 . . . . . . . . . . . 6960 1 790 . 1 1 68 68 THR N N 15 125.158 . . . . . . . . . . . 6960 1 791 . 1 1 69 69 GLY H H 1 7.435 . . . . . . . . . . . 6960 1 792 . 1 1 69 69 GLY HA2 H 1 4.260 . . . . . . . . . . . 6960 1 793 . 1 1 69 69 GLY HA3 H 1 3.902 . . . . . . . . . . . 6960 1 794 . 1 1 69 69 GLY CA C 13 47.578 . . . . . . . . . . . 6960 1 795 . 1 1 69 69 GLY N N 15 109.898 . . . . . . . . . . . 6960 1 796 . 1 1 70 70 GLN H H 1 8.377 . . . . . . . . . . . 6960 1 797 . 1 1 70 70 GLN HA H 1 3.982 . . . . . . . . . . . 6960 1 798 . 1 1 70 70 GLN HB2 H 1 2.007 . . . . . . . . . . . 6960 1 799 . 1 1 70 70 GLN HB3 H 1 1.085 . . . . . . . . . . . 6960 1 800 . 1 1 70 70 GLN HG2 H 1 2.231 . . . . . . . . . . . 6960 1 801 . 1 1 70 70 GLN HG3 H 1 2.210 . . . . . . . . . . . 6960 1 802 . 1 1 70 70 GLN HE21 H 1 7.312 . . . . . . . . . . . 6960 1 803 . 1 1 70 70 GLN HE22 H 1 6.815 . . . . . . . . . . . 6960 1 804 . 1 1 70 70 GLN CA C 13 56.485 . . . . . . . . . . . 6960 1 805 . 1 1 70 70 GLN CB C 13 28.642 . . . . . . . . . . . 6960 1 806 . 1 1 70 70 GLN CG C 13 34.232 . . . . . . . . . . . 6960 1 807 . 1 1 70 70 GLN N N 15 114.753 . . . . . . . . . . . 6960 1 808 . 1 1 70 70 GLN NE2 N 15 113.289 . . . . . . . . . . . 6960 1 809 . 1 1 71 71 TYR H H 1 8.115 . . . . . . . . . . . 6960 1 810 . 1 1 71 71 TYR HA H 1 4.772 . . . . . . . . . . . 6960 1 811 . 1 1 71 71 TYR HB2 H 1 2.693 . . . . . . . . . . . 6960 1 812 . 1 1 71 71 TYR HB3 H 1 2.655 . . . . . . . . . . . 6960 1 813 . 1 1 71 71 TYR HD1 H 1 6.870 . . . . . . . . . . . 6960 1 814 . 1 1 71 71 TYR HE1 H 1 6.563 . . . . . . . . . . . 6960 1 815 . 1 1 71 71 TYR CA C 13 56.242 . . . . . . . . . . . 6960 1 816 . 1 1 71 71 TYR CB C 13 37.547 . . . . . . . . . . . 6960 1 817 . 1 1 71 71 TYR CD1 C 13 129.870 . . . . . . . . . . . 6960 1 818 . 1 1 71 71 TYR CE1 C 13 115.044 . . . . . . . . . . . 6960 1 819 . 1 1 71 71 TYR N N 15 117.682 . . . . . . . . . . . 6960 1 820 . 1 1 72 72 GLN H H 1 8.915 . . . . . . . . . . . 6960 1 821 . 1 1 72 72 GLN HA H 1 4.294 . . . . . . . . . . . 6960 1 822 . 1 1 72 72 GLN HB2 H 1 2.250 . . . . . . . . . . . 6960 1 823 . 1 1 72 72 GLN HB3 H 1 2.131 . . . . . . . . . . . 6960 1 824 . 1 1 72 72 GLN HG2 H 1 2.432 . . . . . . . . . . . 6960 1 825 . 1 1 72 72 GLN HE21 H 1 7.595 . . . . . . . . . . . 6960 1 826 . 1 1 72 72 GLN HE22 H 1 6.759 . . . . . . . . . . . 6960 1 827 . 1 1 72 72 GLN CA C 13 56.956 . . . . . . . . . . . 6960 1 828 . 1 1 72 72 GLN CB C 13 30.395 . . . . . . . . . . . 6960 1 829 . 1 1 72 72 GLN CG C 13 34.469 . . . . . . . . . . . 6960 1 830 . 1 1 72 72 GLN N N 15 120.688 . . . . . . . . . . . 6960 1 831 . 1 1 72 72 GLN NE2 N 15 112.904 . . . . . . . . . . . 6960 1 832 . 1 1 73 73 GLU H H 1 7.662 . . . . . . . . . . . 6960 1 833 . 1 1 73 73 GLU HA H 1 4.613 . . . . . . . . . . . 6960 1 834 . 1 1 73 73 GLU HB2 H 1 2.182 . . . . . . . . . . . 6960 1 835 . 1 1 73 73 GLU HB3 H 1 1.529 . . . . . . . . . . . 6960 1 836 . 1 1 73 73 GLU HG2 H 1 2.433 . . . . . . . . . . . 6960 1 837 . 1 1 73 73 GLU HG3 H 1 2.247 . . . . . . . . . . . 6960 1 838 . 1 1 73 73 GLU CA C 13 52.917 . . . . . . . . . . . 6960 1 839 . 1 1 73 73 GLU CB C 13 31.755 . . . . . . . . . . . 6960 1 840 . 1 1 73 73 GLU CG C 13 35.743 . . . . . . . . . . . 6960 1 841 . 1 1 73 73 GLU N N 15 114.214 . . . . . . . . . . . 6960 1 842 . 1 1 74 74 PRO HA H 1 3.767 . . . . . . . . . . . 6960 1 843 . 1 1 74 74 PRO HB2 H 1 1.784 . . . . . . . . . . . 6960 1 844 . 1 1 74 74 PRO HG2 H 1 1.793 . . . . . . . . . . . 6960 1 845 . 1 1 74 74 PRO HG3 H 1 1.407 . . . . . . . . . . . 6960 1 846 . 1 1 74 74 PRO HD2 H 1 3.749 . . . . . . . . . . . 6960 1 847 . 1 1 74 74 PRO HD3 H 1 2.760 . . . . . . . . . . . 6960 1 848 . 1 1 74 74 PRO CA C 13 65.331 . . . . . . . . . . . 6960 1 849 . 1 1 74 74 PRO CB C 13 31.628 . . . . . . . . . . . 6960 1 850 . 1 1 74 74 PRO CG C 13 27.367 . . . . . . . . . . . 6960 1 851 . 1 1 74 74 PRO CD C 13 50.094 . . . . . . . . . . . 6960 1 852 . 1 1 75 75 TRP H H 1 7.913 . . . . . . . . . . . 6960 1 853 . 1 1 75 75 TRP HA H 1 4.204 . . . . . . . . . . . 6960 1 854 . 1 1 75 75 TRP HB2 H 1 3.619 . . . . . . . . . . . 6960 1 855 . 1 1 75 75 TRP HB3 H 1 3.277 . . . . . . . . . . . 6960 1 856 . 1 1 75 75 TRP HD1 H 1 7.470 . . . . . . . . . . . 6960 1 857 . 1 1 75 75 TRP HE1 H 1 10.301 . . . . . . . . . . . 6960 1 858 . 1 1 75 75 TRP HE3 H 1 7.543 . . . . . . . . . . . 6960 1 859 . 1 1 75 75 TRP HZ2 H 1 7.474 . . . . . . . . . . . 6960 1 860 . 1 1 75 75 TRP HZ3 H 1 7.177 . . . . . . . . . . . 6960 1 861 . 1 1 75 75 TRP HH2 H 1 7.259 . . . . . . . . . . . 6960 1 862 . 1 1 75 75 TRP CA C 13 59.563 . . . . . . . . . . . 6960 1 863 . 1 1 75 75 TRP CB C 13 27.459 . . . . . . . . . . . 6960 1 864 . 1 1 75 75 TRP CD1 C 13 124.952 . . . . . . . . . . . 6960 1 865 . 1 1 75 75 TRP CE3 C 13 118.681 . . . . . . . . . . . 6960 1 866 . 1 1 75 75 TRP CZ2 C 13 112.214 . . . . . . . . . . . 6960 1 867 . 1 1 75 75 TRP CZ3 C 13 120.302 . . . . . . . . . . . 6960 1 868 . 1 1 75 75 TRP CH2 C 13 122.526 . . . . . . . . . . . 6960 1 869 . 1 1 75 75 TRP N N 15 115.293 . . . . . . . . . . . 6960 1 870 . 1 1 76 76 GLN H H 1 6.930 . . . . . . . . . . . 6960 1 871 . 1 1 76 76 GLN HA H 1 3.880 . . . . . . . . . . . 6960 1 872 . 1 1 76 76 GLN HB2 H 1 2.199 . . . . . . . . . . . 6960 1 873 . 1 1 76 76 GLN HB3 H 1 2.038 . . . . . . . . . . . 6960 1 874 . 1 1 76 76 GLN HG2 H 1 1.885 . . . . . . . . . . . 6960 1 875 . 1 1 76 76 GLN HG3 H 1 1.349 . . . . . . . . . . . 6960 1 876 . 1 1 76 76 GLN CA C 13 58.399 . . . . . . . . . . . 6960 1 877 . 1 1 76 76 GLN CB C 13 29.971 . . . . . . . . . . . 6960 1 878 . 1 1 76 76 GLN CG C 13 33.283 . . . . . . . . . . . 6960 1 879 . 1 1 76 76 GLN N N 15 118.530 . . . . . . . . . . . 6960 1 880 . 1 1 77 77 TYR H H 1 6.278 . . . . . . . . . . . 6960 1 881 . 1 1 77 77 TYR HA H 1 3.387 . . . . . . . . . . . 6960 1 882 . 1 1 77 77 TYR HB2 H 1 2.640 . . . . . . . . . . . 6960 1 883 . 1 1 77 77 TYR HB3 H 1 1.773 . . . . . . . . . . . 6960 1 884 . 1 1 77 77 TYR HD1 H 1 6.734 . . . . . . . . . . . 6960 1 885 . 1 1 77 77 TYR HE1 H 1 6.612 . . . . . . . . . . . 6960 1 886 . 1 1 77 77 TYR CA C 13 59.650 . . . . . . . . . . . 6960 1 887 . 1 1 77 77 TYR CB C 13 37.570 . . . . . . . . . . . 6960 1 888 . 1 1 77 77 TYR CD1 C 13 131.083 . . . . . . . . . . . 6960 1 889 . 1 1 77 77 TYR CE1 C 13 115.594 . . . . . . . . . . . 6960 1 890 . 1 1 77 77 TYR N N 15 120.534 . . . . . . . . . . . 6960 1 891 . 1 1 78 78 VAL H H 1 7.335 . . . . . . . . . . . 6960 1 892 . 1 1 78 78 VAL HA H 1 3.062 . . . . . . . . . . . 6960 1 893 . 1 1 78 78 VAL HB H 1 2.264 . . . . . . . . . . . 6960 1 894 . 1 1 78 78 VAL HG11 H 1 1.259 . . . . . . . . . . . 6960 1 895 . 1 1 78 78 VAL HG12 H 1 1.259 . . . . . . . . . . . 6960 1 896 . 1 1 78 78 VAL HG13 H 1 1.259 . . . . . . . . . . . 6960 1 897 . 1 1 78 78 VAL HG21 H 1 1.106 . . . . . . . . . . . 6960 1 898 . 1 1 78 78 VAL HG22 H 1 1.106 . . . . . . . . . . . 6960 1 899 . 1 1 78 78 VAL HG23 H 1 1.106 . . . . . . . . . . . 6960 1 900 . 1 1 78 78 VAL CA C 13 67.305 . . . . . . . . . . . 6960 1 901 . 1 1 78 78 VAL CB C 13 31.956 . . . . . . . . . . . 6960 1 902 . 1 1 78 78 VAL CG1 C 13 22.640 . . . . . . . . . . . 6960 1 903 . 1 1 78 78 VAL CG2 C 13 23.671 . . . . . . . . . . . 6960 1 904 . 1 1 78 78 VAL N N 15 119.146 . . . . . . . . . . . 6960 1 905 . 1 1 79 79 ASP H H 1 8.435 . . . . . . . . . . . 6960 1 906 . 1 1 79 79 ASP HA H 1 4.536 . . . . . . . . . . . 6960 1 907 . 1 1 79 79 ASP HB2 H 1 2.844 . . . . . . . . . . . 6960 1 908 . 1 1 79 79 ASP HB3 H 1 2.703 . . . . . . . . . . . 6960 1 909 . 1 1 79 79 ASP CA C 13 57.432 . . . . . . . . . . . 6960 1 910 . 1 1 79 79 ASP CB C 13 40.150 . . . . . . . . . . . 6960 1 911 . 1 1 79 79 ASP N N 15 116.988 . . . . . . . . . . . 6960 1 912 . 1 1 80 80 ASP H H 1 7.196 . . . . . . . . . . . 6960 1 913 . 1 1 80 80 ASP HA H 1 4.534 . . . . . . . . . . . 6960 1 914 . 1 1 80 80 ASP HB2 H 1 2.790 . . . . . . . . . . . 6960 1 915 . 1 1 80 80 ASP HB3 H 1 2.502 . . . . . . . . . . . 6960 1 916 . 1 1 80 80 ASP CA C 13 57.196 . . . . . . . . . . . 6960 1 917 . 1 1 80 80 ASP CB C 13 39.677 . . . . . . . . . . . 6960 1 918 . 1 1 80 80 ASP N N 15 121.767 . . . . . . . . . . . 6960 1 919 . 1 1 81 81 VAL H H 1 7.404 . . . . . . . . . . . 6960 1 920 . 1 1 81 81 VAL HA H 1 2.479 . . . . . . . . . . . 6960 1 921 . 1 1 81 81 VAL HB H 1 0.869 . . . . . . . . . . . 6960 1 922 . 1 1 81 81 VAL HG11 H 1 -0.257 . . . . . . . . . . . 6960 1 923 . 1 1 81 81 VAL HG12 H 1 -0.257 . . . . . . . . . . . 6960 1 924 . 1 1 81 81 VAL HG13 H 1 -0.257 . . . . . . . . . . . 6960 1 925 . 1 1 81 81 VAL HG21 H 1 -1.498 . . . . . . . . . . . 6960 1 926 . 1 1 81 81 VAL HG22 H 1 -1.498 . . . . . . . . . . . 6960 1 927 . 1 1 81 81 VAL HG23 H 1 -1.498 . . . . . . . . . . . 6960 1 928 . 1 1 81 81 VAL CA C 13 66.751 . . . . . . . . . . . 6960 1 929 . 1 1 81 81 VAL CB C 13 30.299 . . . . . . . . . . . 6960 1 930 . 1 1 81 81 VAL CG1 C 13 20.730 . . . . . . . . . . . 6960 1 931 . 1 1 81 81 VAL CG2 C 13 20.738 . . . . . . . . . . . 6960 1 932 . 1 1 81 81 VAL N N 15 121.690 . . . . . . . . . . . 6960 1 933 . 1 1 82 82 TRP H H 1 7.909 . . . . . . . . . . . 6960 1 934 . 1 1 82 82 TRP HA H 1 3.980 . . . . . . . . . . . 6960 1 935 . 1 1 82 82 TRP HB2 H 1 3.303 . . . . . . . . . . . 6960 1 936 . 1 1 82 82 TRP HB3 H 1 3.106 . . . . . . . . . . . 6960 1 937 . 1 1 82 82 TRP HD1 H 1 7.475 . . . . . . . . . . . 6960 1 938 . 1 1 82 82 TRP HE1 H 1 10.500 . . . . . . . . . . . 6960 1 939 . 1 1 82 82 TRP HE3 H 1 7.896 . . . . . . . . . . . 6960 1 940 . 1 1 82 82 TRP HZ2 H 1 7.718 . . . . . . . . . . . 6960 1 941 . 1 1 82 82 TRP HZ3 H 1 7.485 . . . . . . . . . . . 6960 1 942 . 1 1 82 82 TRP HH2 H 1 7.493 . . . . . . . . . . . 6960 1 943 . 1 1 82 82 TRP CA C 13 60.833 . . . . . . . . . . . 6960 1 944 . 1 1 82 82 TRP CB C 13 28.405 . . . . . . . . . . . 6960 1 945 . 1 1 82 82 TRP CD1 C 13 125.154 . . . . . . . . . . . 6960 1 946 . 1 1 82 82 TRP CE3 C 13 118.345 . . . . . . . . . . . 6960 1 947 . 1 1 82 82 TRP CZ2 C 13 112.214 . . . . . . . . . . . 6960 1 948 . 1 1 82 82 TRP CZ3 C 13 119.962 . . . . . . . . . . . 6960 1 949 . 1 1 82 82 TRP CH2 C 13 122.591 . . . . . . . . . . . 6960 1 950 . 1 1 82 82 TRP N N 15 115.216 . . . . . . . . . . . 6960 1 951 . 1 1 83 83 LEU H H 1 8.070 . . . . . . . . . . . 6960 1 952 . 1 1 83 83 LEU HA H 1 4.235 . . . . . . . . . . . 6960 1 953 . 1 1 83 83 LEU HB2 H 1 2.172 . . . . . . . . . . . 6960 1 954 . 1 1 83 83 LEU HB3 H 1 1.656 . . . . . . . . . . . 6960 1 955 . 1 1 83 83 LEU HG H 1 1.410 . . . . . . . . . . . 6960 1 956 . 1 1 83 83 LEU HD11 H 1 0.888 . . . . . . . . . . . 6960 1 957 . 1 1 83 83 LEU HD12 H 1 0.888 . . . . . . . . . . . 6960 1 958 . 1 1 83 83 LEU HD13 H 1 0.888 . . . . . . . . . . . 6960 1 959 . 1 1 83 83 LEU HD21 H 1 1.108 . . . . . . . . . . . 6960 1 960 . 1 1 83 83 LEU HD22 H 1 1.108 . . . . . . . . . . . 6960 1 961 . 1 1 83 83 LEU HD23 H 1 1.108 . . . . . . . . . . . 6960 1 962 . 1 1 83 83 LEU CA C 13 58.143 . . . . . . . . . . . 6960 1 963 . 1 1 83 83 LEU CB C 13 42.045 . . . . . . . . . . . 6960 1 964 . 1 1 83 83 LEU CG C 13 27.367 . . . . . . . . . . . 6960 1 965 . 1 1 83 83 LEU CD1 C 13 26.183 . . . . . . . . . . . 6960 1 966 . 1 1 83 83 LEU CD2 C 13 22.632 . . . . . . . . . . . 6960 1 967 . 1 1 83 83 LEU N N 15 122.923 . . . . . . . . . . . 6960 1 968 . 1 1 84 84 MET H H 1 7.283 . . . . . . . . . . . 6960 1 969 . 1 1 84 84 MET HA H 1 3.651 . . . . . . . . . . . 6960 1 970 . 1 1 84 84 MET HB2 H 1 2.201 . . . . . . . . . . . 6960 1 971 . 1 1 84 84 MET HB3 H 1 1.219 . . . . . . . . . . . 6960 1 972 . 1 1 84 84 MET HG2 H 1 2.576 . . . . . . . . . . . 6960 1 973 . 1 1 84 84 MET HG3 H 1 1.823 . . . . . . . . . . . 6960 1 974 . 1 1 84 84 MET HE1 H 1 1.223 . . . . . . . . . . . 6960 1 975 . 1 1 84 84 MET HE2 H 1 1.223 . . . . . . . . . . . 6960 1 976 . 1 1 84 84 MET HE3 H 1 1.223 . . . . . . . . . . . 6960 1 977 . 1 1 84 84 MET CA C 13 59.837 . . . . . . . . . . . 6960 1 978 . 1 1 84 84 MET CB C 13 33.049 . . . . . . . . . . . 6960 1 979 . 1 1 84 84 MET CG C 13 31.485 . . . . . . . . . . . 6960 1 980 . 1 1 84 84 MET CE C 13 17.044 . . . . . . . . . . . 6960 1 981 . 1 1 84 84 MET N N 15 117.605 . . . . . . . . . . . 6960 1 982 . 1 1 85 85 PHE H H 1 7.495 . . . . . . . . . . . 6960 1 983 . 1 1 85 85 PHE HA H 1 4.188 . . . . . . . . . . . 6960 1 984 . 1 1 85 85 PHE HB2 H 1 2.481 . . . . . . . . . . . 6960 1 985 . 1 1 85 85 PHE HB3 H 1 1.455 . . . . . . . . . . . 6960 1 986 . 1 1 85 85 PHE HD1 H 1 6.053 . . . . . . . . . . . 6960 1 987 . 1 1 85 85 PHE HE1 H 1 6.070 . . . . . . . . . . . 6960 1 988 . 1 1 85 85 PHE HZ H 1 6.042 . . . . . . . . . . . 6960 1 989 . 1 1 85 85 PHE CA C 13 56.485 . . . . . . . . . . . 6960 1 990 . 1 1 85 85 PHE CB C 13 36.600 . . . . . . . . . . . 6960 1 991 . 1 1 85 85 PHE CD1 C 13 127.176 . . . . . . . . . . . 6960 1 992 . 1 1 85 85 PHE CE1 C 13 124.817 . . . . . . . . . . . 6960 1 993 . 1 1 85 85 PHE CZ C 13 127.581 . . . . . . . . . . . 6960 1 994 . 1 1 85 85 PHE N N 15 118.684 . . . . . . . . . . . 6960 1 995 . 1 1 86 86 ASN H H 1 9.609 . . . . . . . . . . . 6960 1 996 . 1 1 86 86 ASN HA H 1 4.792 . . . . . . . . . . . 6960 1 997 . 1 1 86 86 ASN HB2 H 1 3.125 . . . . . . . . . . . 6960 1 998 . 1 1 86 86 ASN HB3 H 1 2.889 . . . . . . . . . . . 6960 1 999 . 1 1 86 86 ASN HD21 H 1 7.800 . . . . . . . . . . . 6960 1 1000 . 1 1 86 86 ASN HD22 H 1 7.213 . . . . . . . . . . . 6960 1 1001 . 1 1 86 86 ASN CA C 13 56.720 . . . . . . . . . . . 6960 1 1002 . 1 1 86 86 ASN CB C 13 37.783 . . . . . . . . . . . 6960 1 1003 . 1 1 86 86 ASN N N 15 118.838 . . . . . . . . . . . 6960 1 1004 . 1 1 86 86 ASN ND2 N 15 111.670 . . . . . . . . . . . 6960 1 1005 . 1 1 87 87 ASN H H 1 8.918 . . . . . . . . . . . 6960 1 1006 . 1 1 87 87 ASN HA H 1 4.447 . . . . . . . . . . . 6960 1 1007 . 1 1 87 87 ASN HB2 H 1 3.085 . . . . . . . . . . . 6960 1 1008 . 1 1 87 87 ASN HB3 H 1 2.750 . . . . . . . . . . . 6960 1 1009 . 1 1 87 87 ASN CA C 13 55.503 . . . . . . . . . . . 6960 1 1010 . 1 1 87 87 ASN CB C 13 38.116 . . . . . . . . . . . 6960 1 1011 . 1 1 87 87 ASN N N 15 119.223 . . . . . . . . . . . 6960 1 1012 . 1 1 88 88 ALA H H 1 7.309 . . . . . . . . . . . 6960 1 1013 . 1 1 88 88 ALA HA H 1 4.400 . . . . . . . . . . . 6960 1 1014 . 1 1 88 88 ALA HB1 H 1 1.744 . . . . . . . . . . . 6960 1 1015 . 1 1 88 88 ALA HB2 H 1 1.744 . . . . . . . . . . . 6960 1 1016 . 1 1 88 88 ALA HB3 H 1 1.744 . . . . . . . . . . . 6960 1 1017 . 1 1 88 88 ALA CA C 13 54.842 . . . . . . . . . . . 6960 1 1018 . 1 1 88 88 ALA CB C 13 17.753 . . . . . . . . . . . 6960 1 1019 . 1 1 88 88 ALA N N 15 121.458 . . . . . . . . . . . 6960 1 1020 . 1 1 89 89 TRP H H 1 8.668 . . . . . . . . . . . 6960 1 1021 . 1 1 89 89 TRP HA H 1 4.808 . . . . . . . . . . . 6960 1 1022 . 1 1 89 89 TRP HB2 H 1 3.319 . . . . . . . . . . . 6960 1 1023 . 1 1 89 89 TRP HB3 H 1 3.121 . . . . . . . . . . . 6960 1 1024 . 1 1 89 89 TRP HD1 H 1 4.993 . . . . . . . . . . . 6960 1 1025 . 1 1 89 89 TRP HE1 H 1 8.859 . . . . . . . . . . . 6960 1 1026 . 1 1 89 89 TRP HE3 H 1 7.612 . . . . . . . . . . . 6960 1 1027 . 1 1 89 89 TRP HZ2 H 1 6.962 . . . . . . . . . . . 6960 1 1028 . 1 1 89 89 TRP HZ3 H 1 7.250 . . . . . . . . . . . 6960 1 1029 . 1 1 89 89 TRP HH2 H 1 6.958 . . . . . . . . . . . 6960 1 1030 . 1 1 89 89 TRP CA C 13 58.613 . . . . . . . . . . . 6960 1 1031 . 1 1 89 89 TRP CB C 13 28.207 . . . . . . . . . . . 6960 1 1032 . 1 1 89 89 TRP CD1 C 13 120.771 . . . . . . . . . . . 6960 1 1033 . 1 1 89 89 TRP CE3 C 13 118.749 . . . . . . . . . . . 6960 1 1034 . 1 1 89 89 TRP CZ2 C 13 111.606 . . . . . . . . . . . 6960 1 1035 . 1 1 89 89 TRP CZ3 C 13 119.558 . . . . . . . . . . . 6960 1 1036 . 1 1 89 89 TRP CH2 C 13 121.390 . . . . . . . . . . . 6960 1 1037 . 1 1 89 89 TRP N N 15 119.917 . . . . . . . . . . . 6960 1 1038 . 1 1 90 90 LEU H H 1 7.636 . . . . . . . . . . . 6960 1 1039 . 1 1 90 90 LEU HA H 1 4.454 . . . . . . . . . . . 6960 1 1040 . 1 1 90 90 LEU HB2 H 1 2.136 . . . . . . . . . . . 6960 1 1041 . 1 1 90 90 LEU HB3 H 1 1.817 . . . . . . . . . . . 6960 1 1042 . 1 1 90 90 LEU HG H 1 1.406 . . . . . . . . . . . 6960 1 1043 . 1 1 90 90 LEU HD11 H 1 0.988 . . . . . . . . . . . 6960 1 1044 . 1 1 90 90 LEU HD12 H 1 0.988 . . . . . . . . . . . 6960 1 1045 . 1 1 90 90 LEU HD13 H 1 0.988 . . . . . . . . . . . 6960 1 1046 . 1 1 90 90 LEU HD21 H 1 0.983 . . . . . . . . . . . 6960 1 1047 . 1 1 90 90 LEU HD22 H 1 0.983 . . . . . . . . . . . 6960 1 1048 . 1 1 90 90 LEU HD23 H 1 0.983 . . . . . . . . . . . 6960 1 1049 . 1 1 90 90 LEU CA C 13 56.722 . . . . . . . . . . . 6960 1 1050 . 1 1 90 90 LEU CB C 13 42.992 . . . . . . . . . . . 6960 1 1051 . 1 1 90 90 LEU CG C 13 27.131 . . . . . . . . . . . 6960 1 1052 . 1 1 90 90 LEU CD1 C 13 26.420 . . . . . . . . . . . 6960 1 1053 . 1 1 90 90 LEU CD2 C 13 22.869 . . . . . . . . . . . 6960 1 1054 . 1 1 90 90 LEU N N 15 118.684 . . . . . . . . . . . 6960 1 1055 . 1 1 91 91 TYR H H 1 8.337 . . . . . . . . . . . 6960 1 1056 . 1 1 91 91 TYR HA H 1 4.006 . . . . . . . . . . . 6960 1 1057 . 1 1 91 91 TYR HB2 H 1 2.950 . . . . . . . . . . . 6960 1 1058 . 1 1 91 91 TYR HB3 H 1 2.910 . . . . . . . . . . . 6960 1 1059 . 1 1 91 91 TYR HD1 H 1 6.928 . . . . . . . . . . . 6960 1 1060 . 1 1 91 91 TYR HE1 H 1 6.707 . . . . . . . . . . . 6960 1 1061 . 1 1 91 91 TYR CA C 13 61.995 . . . . . . . . . . . 6960 1 1062 . 1 1 91 91 TYR CB C 13 40.477 . . . . . . . . . . . 6960 1 1063 . 1 1 91 91 TYR CD1 C 13 130.479 . . . . . . . . . . . 6960 1 1064 . 1 1 91 91 TYR CE1 C 13 115.419 . . . . . . . . . . . 6960 1 1065 . 1 1 91 91 TYR N N 15 115.601 . . . . . . . . . . . 6960 1 1066 . 1 1 92 92 ASN H H 1 7.833 . . . . . . . . . . . 6960 1 1067 . 1 1 92 92 ASN HA H 1 4.682 . . . . . . . . . . . 6960 1 1068 . 1 1 92 92 ASN HB2 H 1 3.075 . . . . . . . . . . . 6960 1 1069 . 1 1 92 92 ASN HB3 H 1 2.871 . . . . . . . . . . . 6960 1 1070 . 1 1 92 92 ASN CA C 13 52.541 . . . . . . . . . . . 6960 1 1071 . 1 1 92 92 ASN CB C 13 40.903 . . . . . . . . . . . 6960 1 1072 . 1 1 92 92 ASN N N 15 112.981 . . . . . . . . . . . 6960 1 1073 . 1 1 93 93 ARG H H 1 8.795 . . . . . . . . . . . 6960 1 1074 . 1 1 93 93 ARG HA H 1 4.307 . . . . . . . . . . . 6960 1 1075 . 1 1 93 93 ARG HB2 H 1 1.896 . . . . . . . . . . . 6960 1 1076 . 1 1 93 93 ARG HB3 H 1 1.722 . . . . . . . . . . . 6960 1 1077 . 1 1 93 93 ARG HG2 H 1 1.741 . . . . . . . . . . . 6960 1 1078 . 1 1 93 93 ARG HD2 H 1 3.169 . . . . . . . . . . . 6960 1 1079 . 1 1 93 93 ARG CA C 13 55.775 . . . . . . . . . . . 6960 1 1080 . 1 1 93 93 ARG CB C 13 31.155 . . . . . . . . . . . 6960 1 1081 . 1 1 93 93 ARG CG C 13 27.367 . . . . . . . . . . . 6960 1 1082 . 1 1 93 93 ARG CD C 13 42.992 . . . . . . . . . . . 6960 1 1083 . 1 1 93 93 ARG N N 15 118.067 . . . . . . . . . . . 6960 1 1084 . 1 1 94 94 LYS H H 1 8.821 . . . . . . . . . . . 6960 1 1085 . 1 1 94 94 LYS HA H 1 2.180 . . . . . . . . . . . 6960 1 1086 . 1 1 94 94 LYS HB2 H 1 1.388 . . . . . . . . . . . 6960 1 1087 . 1 1 94 94 LYS HB3 H 1 1.402 . . . . . . . . . . . 6960 1 1088 . 1 1 94 94 LYS HG2 H 1 1.176 . . . . . . . . . . . 6960 1 1089 . 1 1 94 94 LYS HG3 H 1 1.063 . . . . . . . . . . . 6960 1 1090 . 1 1 94 94 LYS HD2 H 1 1.504 . . . . . . . . . . . 6960 1 1091 . 1 1 94 94 LYS HE2 H 1 2.890 . . . . . . . . . . . 6960 1 1092 . 1 1 94 94 LYS CA C 13 58.466 . . . . . . . . . . . 6960 1 1093 . 1 1 94 94 LYS CB C 13 32.193 . . . . . . . . . . . 6960 1 1094 . 1 1 94 94 LYS CG C 13 25.230 . . . . . . . . . . . 6960 1 1095 . 1 1 94 94 LYS CD C 13 29.061 . . . . . . . . . . . 6960 1 1096 . 1 1 94 94 LYS CE C 13 41.608 . . . . . . . . . . . 6960 1 1097 . 1 1 94 94 LYS N N 15 122.846 . . . . . . . . . . . 6960 1 1098 . 1 1 95 95 THR H H 1 6.878 . . . . . . . . . . . 6960 1 1099 . 1 1 95 95 THR HA H 1 4.091 . . . . . . . . . . . 6960 1 1100 . 1 1 95 95 THR HB H 1 4.437 . . . . . . . . . . . 6960 1 1101 . 1 1 95 95 THR HG21 H 1 1.117 . . . . . . . . . . . 6960 1 1102 . 1 1 95 95 THR HG22 H 1 1.117 . . . . . . . . . . . 6960 1 1103 . 1 1 95 95 THR HG23 H 1 1.117 . . . . . . . . . . . 6960 1 1104 . 1 1 95 95 THR CA C 13 60.740 . . . . . . . . . . . 6960 1 1105 . 1 1 95 95 THR CB C 13 68.743 . . . . . . . . . . . 6960 1 1106 . 1 1 95 95 THR CG2 C 13 21.926 . . . . . . . . . . . 6960 1 1107 . 1 1 95 95 THR N N 15 122.614 . . . . . . . . . . . 6960 1 1108 . 1 1 96 96 SER H H 1 7.845 . . . . . . . . . . . 6960 1 1109 . 1 1 96 96 SER HA H 1 4.422 . . . . . . . . . . . 6960 1 1110 . 1 1 96 96 SER HB2 H 1 4.346 . . . . . . . . . . . 6960 1 1111 . 1 1 96 96 SER HB3 H 1 3.995 . . . . . . . . . . . 6960 1 1112 . 1 1 96 96 SER CA C 13 58.143 . . . . . . . . . . . 6960 1 1113 . 1 1 96 96 SER CB C 13 65.955 . . . . . . . . . . . 6960 1 1114 . 1 1 96 96 SER N N 15 118.221 . . . . . . . . . . . 6960 1 1115 . 1 1 97 97 ARG H H 1 8.822 . . . . . . . . . . . 6960 1 1116 . 1 1 97 97 ARG HA H 1 3.644 . . . . . . . . . . . 6960 1 1117 . 1 1 97 97 ARG HB2 H 1 1.606 . . . . . . . . . . . 6960 1 1118 . 1 1 97 97 ARG HB3 H 1 1.333 . . . . . . . . . . . 6960 1 1119 . 1 1 97 97 ARG HG2 H 1 1.010 . . . . . . . . . . . 6960 1 1120 . 1 1 97 97 ARG HG3 H 1 0.663 . . . . . . . . . . . 6960 1 1121 . 1 1 97 97 ARG HD2 H 1 3.011 . . . . . . . . . . . 6960 1 1122 . 1 1 97 97 ARG CA C 13 59.090 . . . . . . . . . . . 6960 1 1123 . 1 1 97 97 ARG CB C 13 29.971 . . . . . . . . . . . 6960 1 1124 . 1 1 97 97 ARG CG C 13 26.512 . . . . . . . . . . . 6960 1 1125 . 1 1 97 97 ARG CD C 13 43.228 . . . . . . . . . . . 6960 1 1126 . 1 1 97 97 ARG N N 15 123.616 . . . . . . . . . . . 6960 1 1127 . 1 1 98 98 VAL H H 1 8.031 . . . . . . . . . . . 6960 1 1128 . 1 1 98 98 VAL HA H 1 3.290 . . . . . . . . . . . 6960 1 1129 . 1 1 98 98 VAL HB H 1 1.661 . . . . . . . . . . . 6960 1 1130 . 1 1 98 98 VAL HG11 H 1 0.815 . . . . . . . . . . . 6960 1 1131 . 1 1 98 98 VAL HG12 H 1 0.815 . . . . . . . . . . . 6960 1 1132 . 1 1 98 98 VAL HG13 H 1 0.815 . . . . . . . . . . . 6960 1 1133 . 1 1 98 98 VAL HG21 H 1 0.610 . . . . . . . . . . . 6960 1 1134 . 1 1 98 98 VAL HG22 H 1 0.610 . . . . . . . . . . . 6960 1 1135 . 1 1 98 98 VAL HG23 H 1 0.610 . . . . . . . . . . . 6960 1 1136 . 1 1 98 98 VAL CA C 13 67.028 . . . . . . . . . . . 6960 1 1137 . 1 1 98 98 VAL CB C 13 31.483 . . . . . . . . . . . 6960 1 1138 . 1 1 98 98 VAL CG1 C 13 22.725 . . . . . . . . . . . 6960 1 1139 . 1 1 98 98 VAL CG2 C 13 22.846 . . . . . . . . . . . 6960 1 1140 . 1 1 98 98 VAL N N 15 114.984 . . . . . . . . . . . 6960 1 1141 . 1 1 99 99 TYR H H 1 7.313 . . . . . . . . . . . 6960 1 1142 . 1 1 99 99 TYR HA H 1 3.778 . . . . . . . . . . . 6960 1 1143 . 1 1 99 99 TYR HB2 H 1 3.407 . . . . . . . . . . . 6960 1 1144 . 1 1 99 99 TYR HB3 H 1 2.598 . . . . . . . . . . . 6960 1 1145 . 1 1 99 99 TYR HD1 H 1 7.120 . . . . . . . . . . . 6960 1 1146 . 1 1 99 99 TYR HE1 H 1 7.029 . . . . . . . . . . . 6960 1 1147 . 1 1 99 99 TYR CA C 13 62.234 . . . . . . . . . . . 6960 1 1148 . 1 1 99 99 TYR CB C 13 40.151 . . . . . . . . . . . 6960 1 1149 . 1 1 99 99 TYR CD1 C 13 132.296 . . . . . . . . . . . 6960 1 1150 . 1 1 99 99 TYR CE1 C 13 116.121 . . . . . . . . . . . 6960 1 1151 . 1 1 99 99 TYR N N 15 121.304 . . . . . . . . . . . 6960 1 1152 . 1 1 100 100 LYS H H 1 7.766 . . . . . . . . . . . 6960 1 1153 . 1 1 100 100 LYS HA H 1 4.317 . . . . . . . . . . . 6960 1 1154 . 1 1 100 100 LYS HB2 H 1 2.024 . . . . . . . . . . . 6960 1 1155 . 1 1 100 100 LYS HG2 H 1 1.709 . . . . . . . . . . . 6960 1 1156 . 1 1 100 100 LYS HG3 H 1 1.593 . . . . . . . . . . . 6960 1 1157 . 1 1 100 100 LYS HD2 H 1 1.699 . . . . . . . . . . . 6960 1 1158 . 1 1 100 100 LYS HD3 H 1 1.646 . . . . . . . . . . . 6960 1 1159 . 1 1 100 100 LYS HE2 H 1 2.900 . . . . . . . . . . . 6960 1 1160 . 1 1 100 100 LYS CA C 13 60.123 . . . . . . . . . . . 6960 1 1161 . 1 1 100 100 LYS CB C 13 31.820 . . . . . . . . . . . 6960 1 1162 . 1 1 100 100 LYS CG C 13 25.565 . . . . . . . . . . . 6960 1 1163 . 1 1 100 100 LYS CD C 13 29.352 . . . . . . . . . . . 6960 1 1164 . 1 1 100 100 LYS CE C 13 41.608 . . . . . . . . . . . 6960 1 1165 . 1 1 100 100 LYS N N 15 118.144 . . . . . . . . . . . 6960 1 1166 . 1 1 101 101 PHE H H 1 9.170 . . . . . . . . . . . 6960 1 1167 . 1 1 101 101 PHE HA H 1 4.500 . . . . . . . . . . . 6960 1 1168 . 1 1 101 101 PHE HB2 H 1 3.916 . . . . . . . . . . . 6960 1 1169 . 1 1 101 101 PHE HB3 H 1 3.669 . . . . . . . . . . . 6960 1 1170 . 1 1 101 101 PHE HD1 H 1 7.123 . . . . . . . . . . . 6960 1 1171 . 1 1 101 101 PHE HE1 H 1 7.338 . . . . . . . . . . . 6960 1 1172 . 1 1 101 101 PHE HZ H 1 7.137 . . . . . . . . . . . 6960 1 1173 . 1 1 101 101 PHE CA C 13 57.196 . . . . . . . . . . . 6960 1 1174 . 1 1 101 101 PHE CB C 13 36.600 . . . . . . . . . . . 6960 1 1175 . 1 1 101 101 PHE CD1 C 13 127.444 . . . . . . . . . . . 6960 1 1176 . 1 1 101 101 PHE CE1 C 13 128.255 . . . . . . . . . . . 6960 1 1177 . 1 1 101 101 PHE CZ C 13 126.572 . . . . . . . . . . . 6960 1 1178 . 1 1 101 101 PHE N N 15 121.381 . . . . . . . . . . . 6960 1 1179 . 1 1 102 102 CYS H H 1 8.542 . . . . . . . . . . . 6960 1 1180 . 1 1 102 102 CYS HA H 1 3.237 . . . . . . . . . . . 6960 1 1181 . 1 1 102 102 CYS HB2 H 1 3.043 . . . . . . . . . . . 6960 1 1182 . 1 1 102 102 CYS HB3 H 1 2.708 . . . . . . . . . . . 6960 1 1183 . 1 1 102 102 CYS CA C 13 61.276 . . . . . . . . . . . 6960 1 1184 . 1 1 102 102 CYS CB C 13 25.803 . . . . . . . . . . . 6960 1 1185 . 1 1 102 102 CYS N N 15 120.148 . . . . . . . . . . . 6960 1 1186 . 1 1 103 103 SER H H 1 8.472 . . . . . . . . . . . 6960 1 1187 . 1 1 103 103 SER HA H 1 4.455 . . . . . . . . . . . 6960 1 1188 . 1 1 103 103 SER HB2 H 1 4.243 . . . . . . . . . . . 6960 1 1189 . 1 1 103 103 SER HB3 H 1 4.124 . . . . . . . . . . . 6960 1 1190 . 1 1 103 103 SER CA C 13 62.827 . . . . . . . . . . . 6960 1 1191 . 1 1 103 103 SER CB C 13 62.404 . . . . . . . . . . . 6960 1 1192 . 1 1 103 103 SER N N 15 112.826 . . . . . . . . . . . 6960 1 1193 . 1 1 104 104 LYS H H 1 7.811 . . . . . . . . . . . 6960 1 1194 . 1 1 104 104 LYS HA H 1 4.240 . . . . . . . . . . . 6960 1 1195 . 1 1 104 104 LYS HB2 H 1 2.040 . . . . . . . . . . . 6960 1 1196 . 1 1 104 104 LYS HB3 H 1 2.007 . . . . . . . . . . . 6960 1 1197 . 1 1 104 104 LYS HG2 H 1 1.469 . . . . . . . . . . . 6960 1 1198 . 1 1 104 104 LYS HG3 H 1 1.233 . . . . . . . . . . . 6960 1 1199 . 1 1 104 104 LYS HD2 H 1 1.804 . . . . . . . . . . . 6960 1 1200 . 1 1 104 104 LYS HD3 H 1 1.629 . . . . . . . . . . . 6960 1 1201 . 1 1 104 104 LYS HE2 H 1 2.831 . . . . . . . . . . . 6960 1 1202 . 1 1 104 104 LYS CA C 13 58.230 . . . . . . . . . . . 6960 1 1203 . 1 1 104 104 LYS CB C 13 31.246 . . . . . . . . . . . 6960 1 1204 . 1 1 104 104 LYS CG C 13 24.365 . . . . . . . . . . . 6960 1 1205 . 1 1 104 104 LYS CD C 13 27.604 . . . . . . . . . . . 6960 1 1206 . 1 1 104 104 LYS CE C 13 41.807 . . . . . . . . . . . 6960 1 1207 . 1 1 104 104 LYS N N 15 122.614 . . . . . . . . . . . 6960 1 1208 . 1 1 105 105 LEU H H 1 7.817 . . . . . . . . . . . 6960 1 1209 . 1 1 105 105 LEU HA H 1 3.623 . . . . . . . . . . . 6960 1 1210 . 1 1 105 105 LEU HB2 H 1 1.516 . . . . . . . . . . . 6960 1 1211 . 1 1 105 105 LEU HB3 H 1 1.105 . . . . . . . . . . . 6960 1 1212 . 1 1 105 105 LEU HG H 1 1.649 . . . . . . . . . . . 6960 1 1213 . 1 1 105 105 LEU HD11 H 1 0.392 . . . . . . . . . . . 6960 1 1214 . 1 1 105 105 LEU HD12 H 1 0.392 . . . . . . . . . . . 6960 1 1215 . 1 1 105 105 LEU HD13 H 1 0.392 . . . . . . . . . . . 6960 1 1216 . 1 1 105 105 LEU HD21 H 1 0.564 . . . . . . . . . . . 6960 1 1217 . 1 1 105 105 LEU HD22 H 1 0.564 . . . . . . . . . . . 6960 1 1218 . 1 1 105 105 LEU HD23 H 1 0.564 . . . . . . . . . . . 6960 1 1219 . 1 1 105 105 LEU CA C 13 57.718 . . . . . . . . . . . 6960 1 1220 . 1 1 105 105 LEU CB C 13 41.899 . . . . . . . . . . . 6960 1 1221 . 1 1 105 105 LEU CG C 13 26.657 . . . . . . . . . . . 6960 1 1222 . 1 1 105 105 LEU CD1 C 13 26.183 . . . . . . . . . . . 6960 1 1223 . 1 1 105 105 LEU CD2 C 13 23.579 . . . . . . . . . . . 6960 1 1224 . 1 1 105 105 LEU N N 15 118.838 . . . . . . . . . . . 6960 1 1225 . 1 1 106 106 ALA H H 1 7.971 . . . . . . . . . . . 6960 1 1226 . 1 1 106 106 ALA HA H 1 3.433 . . . . . . . . . . . 6960 1 1227 . 1 1 106 106 ALA HB1 H 1 0.922 . . . . . . . . . . . 6960 1 1228 . 1 1 106 106 ALA HB2 H 1 0.922 . . . . . . . . . . . 6960 1 1229 . 1 1 106 106 ALA HB3 H 1 0.922 . . . . . . . . . . . 6960 1 1230 . 1 1 106 106 ALA CA C 13 54.804 . . . . . . . . . . . 6960 1 1231 . 1 1 106 106 ALA CB C 13 17.661 . . . . . . . . . . . 6960 1 1232 . 1 1 106 106 ALA N N 15 120.534 . . . . . . . . . . . 6960 1 1233 . 1 1 107 107 GLU H H 1 7.484 . . . . . . . . . . . 6960 1 1234 . 1 1 107 107 GLU HA H 1 4.131 . . . . . . . . . . . 6960 1 1235 . 1 1 107 107 GLU HB2 H 1 2.209 . . . . . . . . . . . 6960 1 1236 . 1 1 107 107 GLU HG2 H 1 2.493 . . . . . . . . . . . 6960 1 1237 . 1 1 107 107 GLU HG3 H 1 2.199 . . . . . . . . . . . 6960 1 1238 . 1 1 107 107 GLU CA C 13 59.636 . . . . . . . . . . . 6960 1 1239 . 1 1 107 107 GLU CB C 13 29.498 . . . . . . . . . . . 6960 1 1240 . 1 1 107 107 GLU CG C 13 36.453 . . . . . . . . . . . 6960 1 1241 . 1 1 107 107 GLU N N 15 119.069 . . . . . . . . . . . 6960 1 1242 . 1 1 108 108 VAL H H 1 7.751 . . . . . . . . . . . 6960 1 1243 . 1 1 108 108 VAL HA H 1 3.638 . . . . . . . . . . . 6960 1 1244 . 1 1 108 108 VAL HB H 1 2.157 . . . . . . . . . . . 6960 1 1245 . 1 1 108 108 VAL HG11 H 1 0.961 . . . . . . . . . . . 6960 1 1246 . 1 1 108 108 VAL HG12 H 1 0.961 . . . . . . . . . . . 6960 1 1247 . 1 1 108 108 VAL HG13 H 1 0.961 . . . . . . . . . . . 6960 1 1248 . 1 1 108 108 VAL HG21 H 1 0.867 . . . . . . . . . . . 6960 1 1249 . 1 1 108 108 VAL HG22 H 1 0.867 . . . . . . . . . . . 6960 1 1250 . 1 1 108 108 VAL HG23 H 1 0.867 . . . . . . . . . . . 6960 1 1251 . 1 1 108 108 VAL CA C 13 65.947 . . . . . . . . . . . 6960 1 1252 . 1 1 108 108 VAL CB C 13 31.833 . . . . . . . . . . . 6960 1 1253 . 1 1 108 108 VAL CG1 C 13 22.150 . . . . . . . . . . . 6960 1 1254 . 1 1 108 108 VAL CG2 C 13 21.212 . . . . . . . . . . . 6960 1 1255 . 1 1 108 108 VAL N N 15 120.379 . . . . . . . . . . . 6960 1 1256 . 1 1 109 109 PHE H H 1 9.072 . . . . . . . . . . . 6960 1 1257 . 1 1 109 109 PHE HA H 1 4.031 . . . . . . . . . . . 6960 1 1258 . 1 1 109 109 PHE HB2 H 1 3.342 . . . . . . . . . . . 6960 1 1259 . 1 1 109 109 PHE HB3 H 1 3.065 . . . . . . . . . . . 6960 1 1260 . 1 1 109 109 PHE HD1 H 1 7.046 . . . . . . . . . . . 6960 1 1261 . 1 1 109 109 PHE HE1 H 1 7.188 . . . . . . . . . . . 6960 1 1262 . 1 1 109 109 PHE HZ H 1 6.833 . . . . . . . . . . . 6960 1 1263 . 1 1 109 109 PHE CA C 13 62.404 . . . . . . . . . . . 6960 1 1264 . 1 1 109 109 PHE CB C 13 39.441 . . . . . . . . . . . 6960 1 1265 . 1 1 109 109 PHE CD1 C 13 129.198 . . . . . . . . . . . 6960 1 1266 . 1 1 109 109 PHE CE1 C 13 128.794 . . . . . . . . . . . 6960 1 1267 . 1 1 109 109 PHE CZ C 13 126.837 . . . . . . . . . . . 6960 1 1268 . 1 1 109 109 PHE N N 15 119.223 . . . . . . . . . . . 6960 1 1269 . 1 1 110 110 GLU H H 1 8.546 . . . . . . . . . . . 6960 1 1270 . 1 1 110 110 GLU HA H 1 4.000 . . . . . . . . . . . 6960 1 1271 . 1 1 110 110 GLU HB2 H 1 2.365 . . . . . . . . . . . 6960 1 1272 . 1 1 110 110 GLU HB3 H 1 2.165 . . . . . . . . . . . 6960 1 1273 . 1 1 110 110 GLU HG2 H 1 2.817 . . . . . . . . . . . 6960 1 1274 . 1 1 110 110 GLU HG3 H 1 2.523 . . . . . . . . . . . 6960 1 1275 . 1 1 110 110 GLU CA C 13 59.563 . . . . . . . . . . . 6960 1 1276 . 1 1 110 110 GLU CB C 13 30.208 . . . . . . . . . . . 6960 1 1277 . 1 1 110 110 GLU CG C 13 37.106 . . . . . . . . . . . 6960 1 1278 . 1 1 110 110 GLU N N 15 116.372 . . . . . . . . . . . 6960 1 1279 . 1 1 111 111 GLN H H 1 7.336 . . . . . . . . . . . 6960 1 1280 . 1 1 111 111 GLN HA H 1 4.103 . . . . . . . . . . . 6960 1 1281 . 1 1 111 111 GLN HB2 H 1 2.270 . . . . . . . . . . . 6960 1 1282 . 1 1 111 111 GLN HB3 H 1 2.173 . . . . . . . . . . . 6960 1 1283 . 1 1 111 111 GLN HG2 H 1 2.501 . . . . . . . . . . . 6960 1 1284 . 1 1 111 111 GLN HG3 H 1 2.433 . . . . . . . . . . . 6960 1 1285 . 1 1 111 111 GLN CA C 13 57.718 . . . . . . . . . . . 6960 1 1286 . 1 1 111 111 GLN CB C 13 28.924 . . . . . . . . . . . 6960 1 1287 . 1 1 111 111 GLN CG C 13 33.522 . . . . . . . . . . . 6960 1 1288 . 1 1 111 111 GLN N N 15 115.139 . . . . . . . . . . . 6960 1 1289 . 1 1 112 112 GLU H H 1 7.938 . . . . . . . . . . . 6960 1 1290 . 1 1 112 112 GLU HA H 1 4.122 . . . . . . . . . . . 6960 1 1291 . 1 1 112 112 GLU HB2 H 1 1.999 . . . . . . . . . . . 6960 1 1292 . 1 1 112 112 GLU HB3 H 1 1.767 . . . . . . . . . . . 6960 1 1293 . 1 1 112 112 GLU HG2 H 1 2.494 . . . . . . . . . . . 6960 1 1294 . 1 1 112 112 GLU HG3 H 1 2.016 . . . . . . . . . . . 6960 1 1295 . 1 1 112 112 GLU CA C 13 57.518 . . . . . . . . . . . 6960 1 1296 . 1 1 112 112 GLU CB C 13 29.638 . . . . . . . . . . . 6960 1 1297 . 1 1 112 112 GLU CG C 13 35.653 . . . . . . . . . . . 6960 1 1298 . 1 1 112 112 GLU N N 15 116.603 . . . . . . . . . . . 6960 1 1299 . 1 1 113 113 ILE H H 1 8.835 . . . . . . . . . . . 6960 1 1300 . 1 1 113 113 ILE HA H 1 4.091 . . . . . . . . . . . 6960 1 1301 . 1 1 113 113 ILE HB H 1 0.713 . . . . . . . . . . . 6960 1 1302 . 1 1 113 113 ILE HG12 H 1 1.215 . . . . . . . . . . . 6960 1 1303 . 1 1 113 113 ILE HG13 H 1 0.887 . . . . . . . . . . . 6960 1 1304 . 1 1 113 113 ILE HG21 H 1 0.722 . . . . . . . . . . . 6960 1 1305 . 1 1 113 113 ILE HG22 H 1 0.722 . . . . . . . . . . . 6960 1 1306 . 1 1 113 113 ILE HG23 H 1 0.722 . . . . . . . . . . . 6960 1 1307 . 1 1 113 113 ILE HD11 H 1 0.889 . . . . . . . . . . . 6960 1 1308 . 1 1 113 113 ILE HD12 H 1 0.889 . . . . . . . . . . . 6960 1 1309 . 1 1 113 113 ILE HD13 H 1 0.889 . . . . . . . . . . . 6960 1 1310 . 1 1 113 113 ILE CA C 13 59.156 . . . . . . . . . . . 6960 1 1311 . 1 1 113 113 ILE CB C 13 38.494 . . . . . . . . . . . 6960 1 1312 . 1 1 113 113 ILE CG1 C 13 29.358 . . . . . . . . . . . 6960 1 1313 . 1 1 113 113 ILE CG2 C 13 20.050 . . . . . . . . . . . 6960 1 1314 . 1 1 113 113 ILE CD1 C 13 14.118 . . . . . . . . . . . 6960 1 1315 . 1 1 113 113 ILE N N 15 117.682 . . . . . . . . . . . 6960 1 1316 . 1 1 114 114 ASP H H 1 7.002 . . . . . . . . . . . 6960 1 1317 . 1 1 114 114 ASP HA H 1 4.549 . . . . . . . . . . . 6960 1 1318 . 1 1 114 114 ASP HB2 H 1 2.840 . . . . . . . . . . . 6960 1 1319 . 1 1 114 114 ASP HB3 H 1 2.681 . . . . . . . . . . . 6960 1 1320 . 1 1 114 114 ASP CA C 13 59.090 . . . . . . . . . . . 6960 1 1321 . 1 1 114 114 ASP CB C 13 38.967 . . . . . . . . . . . 6960 1 1322 . 1 1 114 114 ASP N N 15 122.614 . . . . . . . . . . . 6960 1 1323 . 1 1 115 115 PRO HA H 1 4.263 . . . . . . . . . . . 6960 1 1324 . 1 1 115 115 PRO HB2 H 1 2.273 . . . . . . . . . . . 6960 1 1325 . 1 1 115 115 PRO HB3 H 1 1.855 . . . . . . . . . . . 6960 1 1326 . 1 1 115 115 PRO HG2 H 1 2.039 . . . . . . . . . . . 6960 1 1327 . 1 1 115 115 PRO HD2 H 1 3.757 . . . . . . . . . . . 6960 1 1328 . 1 1 115 115 PRO HD3 H 1 3.511 . . . . . . . . . . . 6960 1 1329 . 1 1 115 115 PRO CA C 13 65.567 . . . . . . . . . . . 6960 1 1330 . 1 1 115 115 PRO CB C 13 30.772 . . . . . . . . . . . 6960 1 1331 . 1 1 115 115 PRO CG C 13 28.169 . . . . . . . . . . . 6960 1 1332 . 1 1 115 115 PRO CD C 13 50.094 . . . . . . . . . . . 6960 1 1333 . 1 1 116 116 VAL H H 1 6.569 . . . . . . . . . . . 6960 1 1334 . 1 1 116 116 VAL HA H 1 3.676 . . . . . . . . . . . 6960 1 1335 . 1 1 116 116 VAL HB H 1 2.039 . . . . . . . . . . . 6960 1 1336 . 1 1 116 116 VAL HG11 H 1 1.029 . . . . . . . . . . . 6960 1 1337 . 1 1 116 116 VAL HG12 H 1 1.029 . . . . . . . . . . . 6960 1 1338 . 1 1 116 116 VAL HG13 H 1 1.029 . . . . . . . . . . . 6960 1 1339 . 1 1 116 116 VAL HG21 H 1 0.769 . . . . . . . . . . . 6960 1 1340 . 1 1 116 116 VAL HG22 H 1 0.769 . . . . . . . . . . . 6960 1 1341 . 1 1 116 116 VAL HG23 H 1 0.769 . . . . . . . . . . . 6960 1 1342 . 1 1 116 116 VAL CA C 13 65.678 . . . . . . . . . . . 6960 1 1343 . 1 1 116 116 VAL CB C 13 31.820 . . . . . . . . . . . 6960 1 1344 . 1 1 116 116 VAL CG1 C 13 22.725 . . . . . . . . . . . 6960 1 1345 . 1 1 116 116 VAL CG2 C 13 21.304 . . . . . . . . . . . 6960 1 1346 . 1 1 116 116 VAL N N 15 117.990 . . . . . . . . . . . 6960 1 1347 . 1 1 117 117 MET H H 1 8.445 . . . . . . . . . . . 6960 1 1348 . 1 1 117 117 MET HA H 1 4.299 . . . . . . . . . . . 6960 1 1349 . 1 1 117 117 MET HB2 H 1 2.205 . . . . . . . . . . . 6960 1 1350 . 1 1 117 117 MET HB3 H 1 1.973 . . . . . . . . . . . 6960 1 1351 . 1 1 117 117 MET HG2 H 1 2.602 . . . . . . . . . . . 6960 1 1352 . 1 1 117 117 MET HG3 H 1 2.515 . . . . . . . . . . . 6960 1 1353 . 1 1 117 117 MET HE1 H 1 1.469 . . . . . . . . . . . 6960 1 1354 . 1 1 117 117 MET HE2 H 1 1.469 . . . . . . . . . . . 6960 1 1355 . 1 1 117 117 MET HE3 H 1 1.469 . . . . . . . . . . . 6960 1 1356 . 1 1 117 117 MET CA C 13 56.722 . . . . . . . . . . . 6960 1 1357 . 1 1 117 117 MET CB C 13 29.877 . . . . . . . . . . . 6960 1 1358 . 1 1 117 117 MET CG C 13 32.981 . . . . . . . . . . . 6960 1 1359 . 1 1 117 117 MET CE C 13 16.097 . . . . . . . . . . . 6960 1 1360 . 1 1 117 117 MET N N 15 118.530 . . . . . . . . . . . 6960 1 1361 . 1 1 118 118 GLN H H 1 8.017 . . . . . . . . . . . 6960 1 1362 . 1 1 118 118 GLN HA H 1 4.119 . . . . . . . . . . . 6960 1 1363 . 1 1 118 118 GLN HB2 H 1 2.156 . . . . . . . . . . . 6960 1 1364 . 1 1 118 118 GLN HB3 H 1 2.058 . . . . . . . . . . . 6960 1 1365 . 1 1 118 118 GLN HG2 H 1 2.509 . . . . . . . . . . . 6960 1 1366 . 1 1 118 118 GLN HG3 H 1 2.417 . . . . . . . . . . . 6960 1 1367 . 1 1 118 118 GLN HE21 H 1 7.593 . . . . . . . . . . . 6960 1 1368 . 1 1 118 118 GLN HE22 H 1 6.770 . . . . . . . . . . . 6960 1 1369 . 1 1 118 118 GLN CA C 13 58.639 . . . . . . . . . . . 6960 1 1370 . 1 1 118 118 GLN CB C 13 28.077 . . . . . . . . . . . 6960 1 1371 . 1 1 118 118 GLN CG C 13 34.000 . . . . . . . . . . . 6960 1 1372 . 1 1 118 118 GLN N N 15 118.067 . . . . . . . . . . . 6960 1 1373 . 1 1 118 118 GLN NE2 N 15 112.826 . . . . . . . . . . . 6960 1 1374 . 1 1 119 119 SER H H 1 7.594 . . . . . . . . . . . 6960 1 1375 . 1 1 119 119 SER HA H 1 4.431 . . . . . . . . . . . 6960 1 1376 . 1 1 119 119 SER HB2 H 1 4.056 . . . . . . . . . . . 6960 1 1377 . 1 1 119 119 SER HB3 H 1 4.017 . . . . . . . . . . . 6960 1 1378 . 1 1 119 119 SER CA C 13 60.115 . . . . . . . . . . . 6960 1 1379 . 1 1 119 119 SER CB C 13 63.674 . . . . . . . . . . . 6960 1 1380 . 1 1 119 119 SER N N 15 113.905 . . . . . . . . . . . 6960 1 1381 . 1 1 120 120 LEU H H 1 7.599 . . . . . . . . . . . 6960 1 1382 . 1 1 120 120 LEU HA H 1 4.432 . . . . . . . . . . . 6960 1 1383 . 1 1 120 120 LEU HB2 H 1 1.773 . . . . . . . . . . . 6960 1 1384 . 1 1 120 120 LEU HB3 H 1 1.633 . . . . . . . . . . . 6960 1 1385 . 1 1 120 120 LEU HG H 1 1.785 . . . . . . . . . . . 6960 1 1386 . 1 1 120 120 LEU HD11 H 1 0.610 . . . . . . . . . . . 6960 1 1387 . 1 1 120 120 LEU HD12 H 1 0.610 . . . . . . . . . . . 6960 1 1388 . 1 1 120 120 LEU HD13 H 1 0.610 . . . . . . . . . . . 6960 1 1389 . 1 1 120 120 LEU HD21 H 1 0.660 . . . . . . . . . . . 6960 1 1390 . 1 1 120 120 LEU HD22 H 1 0.660 . . . . . . . . . . . 6960 1 1391 . 1 1 120 120 LEU HD23 H 1 0.660 . . . . . . . . . . . 6960 1 1392 . 1 1 120 120 LEU CA C 13 55.539 . . . . . . . . . . . 6960 1 1393 . 1 1 120 120 LEU CB C 13 42.579 . . . . . . . . . . . 6960 1 1394 . 1 1 120 120 LEU CG C 13 26.260 . . . . . . . . . . . 6960 1 1395 . 1 1 120 120 LEU CD1 C 13 25.601 . . . . . . . . . . . 6960 1 1396 . 1 1 120 120 LEU CD2 C 13 22.640 . . . . . . . . . . . 6960 1 1397 . 1 1 120 120 LEU N N 15 121.844 . . . . . . . . . . . 6960 1 1398 . 1 1 121 121 GLY H H 1 7.603 . . . . . . . . . . . 6960 1 1399 . 1 1 121 121 GLY HA2 H 1 3.882 . . . . . . . . . . . 6960 1 1400 . 1 1 121 121 GLY HA3 H 1 3.791 . . . . . . . . . . . 6960 1 1401 . 1 1 121 121 GLY CA C 13 46.306 . . . . . . . . . . . 6960 1 1402 . 1 1 121 121 GLY N N 15 112.595 . . . . . . . . . . . 6960 1 stop_ save_