data_51399 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51399 _Entry.Title ; PARP14 macro domain 2 ADPr bound ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-14 _Entry.Accession_date 2022-04-14 _Entry.Last_release_date 2022-04-14 _Entry.Original_release_date 2022-04-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Periklis Charalampous . . . 0000-0002-7188-0573 51399 2 Nikolaos Fourkiotis . K. . 0000-0002-5197-4142 51399 3 Aikaterini Tsika . C. . 0000-0002-3723-0606 51399 4 Angelo Gallo . . . 0000-0001-9778-4822 51399 5 Georgios Spyroulias . A. . 0000-0003-1799-3312 51399 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51399 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 704 51399 '15N chemical shifts' 160 51399 '1H chemical shifts' 1153 51399 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 2 . . 2022-10-21 2022-04-14 update BMRB 'update entry citation' 51399 1 . . 2022-09-19 2022-04-14 original author 'original release' 51399 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51398 'PARP14 macro domain 2 free form' 51399 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51399 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36107366 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR study of human macroPARPs domains: 1 H, 15 N and 13 C resonance assignment of hPARP14 macro domain 2 in the free and the ADPr bound state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 399 _Citation.Page_last 406 _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nikolaos Fourkiotis N. K. . . 51399 1 2 Periklis Charalampous P. . . . 51399 1 3 Aikaterini Tsika A. C. . . 51399 1 4 Konstantina Kravvariti K. P. . . 51399 1 5 Christos Sideras-Bisdekis C. . . . 51399 1 6 Angelo Gallo A. . . . 51399 1 7 Georgios Spyroulias G. A. . . 51399 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ADPr 51399 1 ADPribosylation 51399 1 'macro domains' 51399 1 'solution NMR' 51399 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51399 _Assembly.ID 1 _Assembly.Name P14MD2_ADPr _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PARP14 macro domain 2' 1 $entity_1 . . yes native no no . . . 51399 1 2 ADPr 2 $entity_APR . . no native no no . . . 51399 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 yes BMRB 51398 . . 'solution NMR' . 'Free form' 'Same protein in free form' 51399 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Intermediate exchange' 51399 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ADP-ribosyltransferase that mediates mono-ADP-ribosylation' 51399 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51399 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAMGGKTSWEKGSLVSPGGL QMLLVKEGVQNAKTDVVVNS VPLDLVLSRGPLSKSLLEKA GPELQEELDTVGQGVAVSMG TVLKTSSWNLDCRYVLHVVA PEWRNGSTSSLKIMEDIIRE CMEITESLSLKSIAFPAIGT GNLGFPKNIFAELIISEVFK FSSKNQLKTLQEVHFLLHPS DHENIQAFSDEFARRAN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The first G = -4' _Entity.Polymer_author_seq_details 'G first residue in the chemical shifts assignment file (GAMG) tag included, native sequence starts at G999.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q460N5 . . . . . . . . . . . . . . . . 51399 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ADP-ribosyltransferase that mediates mono-ADP-ribosylation' 51399 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 . GLY . 51399 1 2 . ALA . 51399 1 3 . MET . 51399 1 4 . GLY . 51399 1 5 . GLY . 51399 1 6 . LYS . 51399 1 7 . THR . 51399 1 8 . SER . 51399 1 9 . TRP . 51399 1 10 . GLU . 51399 1 11 . LYS . 51399 1 12 . GLY . 51399 1 13 . SER . 51399 1 14 . LEU . 51399 1 15 . VAL . 51399 1 16 . SER . 51399 1 17 . PRO . 51399 1 18 . GLY . 51399 1 19 . GLY . 51399 1 20 . LEU . 51399 1 21 . GLN . 51399 1 22 . MET . 51399 1 23 . LEU . 51399 1 24 . LEU . 51399 1 25 . VAL . 51399 1 26 . LYS . 51399 1 27 . GLU . 51399 1 28 . GLY . 51399 1 29 . VAL . 51399 1 30 . GLN . 51399 1 31 . ASN . 51399 1 32 . ALA . 51399 1 33 . LYS . 51399 1 34 . THR . 51399 1 35 . ASP . 51399 1 36 . VAL . 51399 1 37 . VAL . 51399 1 38 . VAL . 51399 1 39 . ASN . 51399 1 40 . SER . 51399 1 41 . VAL . 51399 1 42 . PRO . 51399 1 43 . LEU . 51399 1 44 . ASP . 51399 1 45 . LEU . 51399 1 46 . VAL . 51399 1 47 . LEU . 51399 1 48 . SER . 51399 1 49 . ARG . 51399 1 50 . GLY . 51399 1 51 . PRO . 51399 1 52 . LEU . 51399 1 53 . SER . 51399 1 54 . LYS . 51399 1 55 . SER . 51399 1 56 . LEU . 51399 1 57 . LEU . 51399 1 58 . GLU . 51399 1 59 . LYS . 51399 1 60 . ALA . 51399 1 61 . GLY . 51399 1 62 . PRO . 51399 1 63 . GLU . 51399 1 64 . LEU . 51399 1 65 . GLN . 51399 1 66 . GLU . 51399 1 67 . GLU . 51399 1 68 . LEU . 51399 1 69 . ASP . 51399 1 70 . THR . 51399 1 71 . VAL . 51399 1 72 . GLY . 51399 1 73 . GLN . 51399 1 74 . GLY . 51399 1 75 . VAL . 51399 1 76 . ALA . 51399 1 77 . VAL . 51399 1 78 . SER . 51399 1 79 . MET . 51399 1 80 . GLY . 51399 1 81 . THR . 51399 1 82 . VAL . 51399 1 83 . LEU . 51399 1 84 . LYS . 51399 1 85 . THR . 51399 1 86 . SER . 51399 1 87 . SER . 51399 1 88 . TRP . 51399 1 89 . ASN . 51399 1 90 . LEU . 51399 1 91 . ASP . 51399 1 92 . CYS . 51399 1 93 . ARG . 51399 1 94 . TYR . 51399 1 95 . VAL . 51399 1 96 . LEU . 51399 1 97 . HIS . 51399 1 98 . VAL . 51399 1 99 . VAL . 51399 1 100 . ALA . 51399 1 101 . PRO . 51399 1 102 . GLU . 51399 1 103 . TRP . 51399 1 104 . ARG . 51399 1 105 . ASN . 51399 1 106 . GLY . 51399 1 107 . SER . 51399 1 108 . THR . 51399 1 109 . SER . 51399 1 110 . SER . 51399 1 111 . LEU . 51399 1 112 . LYS . 51399 1 113 . ILE . 51399 1 114 . MET . 51399 1 115 . GLU . 51399 1 116 . ASP . 51399 1 117 . ILE . 51399 1 118 . ILE . 51399 1 119 . ARG . 51399 1 120 . GLU . 51399 1 121 . CYS . 51399 1 122 . MET . 51399 1 123 . GLU . 51399 1 124 . ILE . 51399 1 125 . THR . 51399 1 126 . GLU . 51399 1 127 . SER . 51399 1 128 . LEU . 51399 1 129 . SER . 51399 1 130 . LEU . 51399 1 131 . LYS . 51399 1 132 . SER . 51399 1 133 . ILE . 51399 1 134 . ALA . 51399 1 135 . PHE . 51399 1 136 . PRO . 51399 1 137 . ALA . 51399 1 138 . ILE . 51399 1 139 . GLY . 51399 1 140 . THR . 51399 1 141 . GLY . 51399 1 142 . ASN . 51399 1 143 . LEU . 51399 1 144 . GLY . 51399 1 145 . PHE . 51399 1 146 . PRO . 51399 1 147 . LYS . 51399 1 148 . ASN . 51399 1 149 . ILE . 51399 1 150 . PHE . 51399 1 151 . ALA . 51399 1 152 . GLU . 51399 1 153 . LEU . 51399 1 154 . ILE . 51399 1 155 . ILE . 51399 1 156 . SER . 51399 1 157 . GLU . 51399 1 158 . VAL . 51399 1 159 . PHE . 51399 1 160 . LYS . 51399 1 161 . PHE . 51399 1 162 . SER . 51399 1 163 . SER . 51399 1 164 . LYS . 51399 1 165 . ASN . 51399 1 166 . GLN . 51399 1 167 . LEU . 51399 1 168 . LYS . 51399 1 169 . THR . 51399 1 170 . LEU . 51399 1 171 . GLN . 51399 1 172 . GLU . 51399 1 173 . VAL . 51399 1 174 . HIS . 51399 1 175 . PHE . 51399 1 176 . LEU . 51399 1 177 . LEU . 51399 1 178 . HIS . 51399 1 179 . PRO . 51399 1 180 . SER . 51399 1 181 . ASP . 51399 1 182 . HIS . 51399 1 183 . GLU . 51399 1 184 . ASN . 51399 1 185 . ILE . 51399 1 186 . GLN . 51399 1 187 . ALA . 51399 1 188 . PHE . 51399 1 189 . SER . 51399 1 190 . ASP . 51399 1 191 . GLU . 51399 1 192 . PHE . 51399 1 193 . ALA . 51399 1 194 . ARG . 51399 1 195 . ARG . 51399 1 196 . ALA . 51399 1 197 . ASN . 51399 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 51399 1 . ALA 2 2 51399 1 . MET 3 3 51399 1 . GLY 4 4 51399 1 . GLY 5 5 51399 1 . LYS 6 6 51399 1 . THR 7 7 51399 1 . SER 8 8 51399 1 . TRP 9 9 51399 1 . GLU 10 10 51399 1 . LYS 11 11 51399 1 . GLY 12 12 51399 1 . SER 13 13 51399 1 . LEU 14 14 51399 1 . VAL 15 15 51399 1 . SER 16 16 51399 1 . PRO 17 17 51399 1 . GLY 18 18 51399 1 . GLY 19 19 51399 1 . LEU 20 20 51399 1 . GLN 21 21 51399 1 . MET 22 22 51399 1 . LEU 23 23 51399 1 . LEU 24 24 51399 1 . VAL 25 25 51399 1 . LYS 26 26 51399 1 . GLU 27 27 51399 1 . GLY 28 28 51399 1 . VAL 29 29 51399 1 . GLN 30 30 51399 1 . ASN 31 31 51399 1 . ALA 32 32 51399 1 . LYS 33 33 51399 1 . THR 34 34 51399 1 . ASP 35 35 51399 1 . VAL 36 36 51399 1 . VAL 37 37 51399 1 . VAL 38 38 51399 1 . ASN 39 39 51399 1 . SER 40 40 51399 1 . VAL 41 41 51399 1 . PRO 42 42 51399 1 . LEU 43 43 51399 1 . ASP 44 44 51399 1 . LEU 45 45 51399 1 . VAL 46 46 51399 1 . LEU 47 47 51399 1 . SER 48 48 51399 1 . ARG 49 49 51399 1 . GLY 50 50 51399 1 . PRO 51 51 51399 1 . LEU 52 52 51399 1 . SER 53 53 51399 1 . LYS 54 54 51399 1 . SER 55 55 51399 1 . LEU 56 56 51399 1 . LEU 57 57 51399 1 . GLU 58 58 51399 1 . LYS 59 59 51399 1 . ALA 60 60 51399 1 . GLY 61 61 51399 1 . PRO 62 62 51399 1 . GLU 63 63 51399 1 . LEU 64 64 51399 1 . GLN 65 65 51399 1 . GLU 66 66 51399 1 . GLU 67 67 51399 1 . LEU 68 68 51399 1 . ASP 69 69 51399 1 . THR 70 70 51399 1 . VAL 71 71 51399 1 . GLY 72 72 51399 1 . GLN 73 73 51399 1 . GLY 74 74 51399 1 . VAL 75 75 51399 1 . ALA 76 76 51399 1 . VAL 77 77 51399 1 . SER 78 78 51399 1 . MET 79 79 51399 1 . GLY 80 80 51399 1 . THR 81 81 51399 1 . VAL 82 82 51399 1 . LEU 83 83 51399 1 . LYS 84 84 51399 1 . THR 85 85 51399 1 . SER 86 86 51399 1 . SER 87 87 51399 1 . TRP 88 88 51399 1 . ASN 89 89 51399 1 . LEU 90 90 51399 1 . ASP 91 91 51399 1 . CYS 92 92 51399 1 . ARG 93 93 51399 1 . TYR 94 94 51399 1 . VAL 95 95 51399 1 . LEU 96 96 51399 1 . HIS 97 97 51399 1 . VAL 98 98 51399 1 . VAL 99 99 51399 1 . ALA 100 100 51399 1 . PRO 101 101 51399 1 . GLU 102 102 51399 1 . TRP 103 103 51399 1 . ARG 104 104 51399 1 . ASN 105 105 51399 1 . GLY 106 106 51399 1 . SER 107 107 51399 1 . THR 108 108 51399 1 . SER 109 109 51399 1 . SER 110 110 51399 1 . LEU 111 111 51399 1 . LYS 112 112 51399 1 . ILE 113 113 51399 1 . MET 114 114 51399 1 . GLU 115 115 51399 1 . ASP 116 116 51399 1 . ILE 117 117 51399 1 . ILE 118 118 51399 1 . ARG 119 119 51399 1 . GLU 120 120 51399 1 . CYS 121 121 51399 1 . MET 122 122 51399 1 . GLU 123 123 51399 1 . ILE 124 124 51399 1 . THR 125 125 51399 1 . GLU 126 126 51399 1 . SER 127 127 51399 1 . LEU 128 128 51399 1 . SER 129 129 51399 1 . LEU 130 130 51399 1 . LYS 131 131 51399 1 . SER 132 132 51399 1 . ILE 133 133 51399 1 . ALA 134 134 51399 1 . PHE 135 135 51399 1 . PRO 136 136 51399 1 . ALA 137 137 51399 1 . ILE 138 138 51399 1 . GLY 139 139 51399 1 . THR 140 140 51399 1 . GLY 141 141 51399 1 . ASN 142 142 51399 1 . LEU 143 143 51399 1 . GLY 144 144 51399 1 . PHE 145 145 51399 1 . PRO 146 146 51399 1 . LYS 147 147 51399 1 . ASN 148 148 51399 1 . ILE 149 149 51399 1 . PHE 150 150 51399 1 . ALA 151 151 51399 1 . GLU 152 152 51399 1 . LEU 153 153 51399 1 . ILE 154 154 51399 1 . ILE 155 155 51399 1 . SER 156 156 51399 1 . GLU 157 157 51399 1 . VAL 158 158 51399 1 . PHE 159 159 51399 1 . LYS 160 160 51399 1 . PHE 161 161 51399 1 . SER 162 162 51399 1 . SER 163 163 51399 1 . LYS 164 164 51399 1 . ASN 165 165 51399 1 . GLN 166 166 51399 1 . LEU 167 167 51399 1 . LYS 168 168 51399 1 . THR 169 169 51399 1 . LEU 170 170 51399 1 . GLN 171 171 51399 1 . GLU 172 172 51399 1 . VAL 173 173 51399 1 . HIS 174 174 51399 1 . PHE 175 175 51399 1 . LEU 176 176 51399 1 . LEU 177 177 51399 1 . HIS 178 178 51399 1 . PRO 179 179 51399 1 . SER 180 180 51399 1 . ASP 181 181 51399 1 . HIS 182 182 51399 1 . GLU 183 183 51399 1 . ASN 184 184 51399 1 . ILE 185 185 51399 1 . GLN 186 186 51399 1 . ALA 187 187 51399 1 . PHE 188 188 51399 1 . SER 189 189 51399 1 . ASP 190 190 51399 1 . GLU 191 191 51399 1 . PHE 192 192 51399 1 . ALA 193 193 51399 1 . ARG 194 194 51399 1 . ARG 195 195 51399 1 . ALA 196 196 51399 1 . ASN 197 197 51399 1 stop_ save_ save_entity_APR _Entity.Sf_category entity _Entity.Sf_framecode entity_APR _Entity.Entry_ID 51399 _Entity.ID 2 _Entity.BMRB_code APR _Entity.Name entity_APR _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID APR _Entity.Nonpolymer_comp_label $chem_comp_APR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 559.316 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5-DIPHOSPHORIBOSE BMRB 51399 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5-DIPHOSPHORIBOSE BMRB 51399 2 APR 'Three letter code' 51399 2 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 1 APR $chem_comp_APR 51399 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51399 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51399 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51399 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta2 pLysS' . . plasmid . . pETm41 . . . 51399 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_APR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_APR _Chem_comp.Entry_ID 51399 _Chem_comp.ID APR _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5-DIPHOSPHORIBOSE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code APR _Chem_comp.PDB_code APR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code APR _Chem_comp.Number_atoms_all 59 _Chem_comp.Number_atoms_nh 36 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C15 H23 N5 O14 P2' _Chem_comp.Formula_weight 559.316 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1G9Q _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 ; InChI InChI 1.03 51399 APR Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 51399 APR Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O SMILES CACTVS 3.341 51399 APR O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O SMILES ACDLabs 10.04 51399 APR SRNWOUGRCWSEMX-KEOHHSTQSA-N InChIKey InChI 1.03 51399 APR c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 51399 APR c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51399 APR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) ; 'SYSTEMATIC NAME' ACDLabs 10.04 51399 APR ; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51399 APR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 57.304 . 21.677 . 3.126 . 2.348 -0.932 9.041 1 . 51399 APR C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 58.333 . 20.780 . 2.780 . 1.265 -1.622 8.731 2 . 51399 APR N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 58.815 . 19.783 . 3.523 . 0.592 -1.418 7.618 3 . 51399 APR C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 58.161 . 19.655 . 4.774 . 0.984 -0.493 6.749 4 . 51399 APR C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 57.100 . 20.441 . 5.267 . 2.128 0.271 7.035 5 . 51399 APR C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 56.684 . 21.562 . 4.396 . 2.816 0.012 8.233 6 . 51399 APR N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 55.837 . 22.531 . 4.767 . 3.952 0.730 8.566 7 . 51399 APR N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 56.714 . 19.987 . 6.521 . 2.307 1.124 5.999 8 . 51399 APR C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 57.592 . 19.016 . 6.814 . 1.365 0.943 5.120 9 . 51399 APR N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 58.523 . 18.831 . 5.825 . 0.523 -0.044 5.537 10 . 51399 APR C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 59.925 . 18.013 . 5.799 . -0.656 -0.537 4.822 11 . 51399 APR C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 60.873 . 18.577 . 6.883 . -1.902 0.290 5.207 12 . 51399 APR O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 62.159 . 18.740 . 6.323 . -2.672 -0.385 6.202 13 . 51399 APR C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 60.931 . 17.488 . 8.019 . -2.700 0.400 3.886 14 . 51399 APR O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 62.274 . 17.237 . 8.416 . -3.986 -0.206 4.025 15 . 51399 APR O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 59.714 . 16.695 . 6.161 . -0.502 -0.338 3.400 16 . 51399 APR C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 60.320 . 16.270 . 7.470 . -1.842 -0.377 2.863 17 . 51399 APR C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 59.249 . 15.847 . 8.393 . -1.888 0.307 1.496 18 . 51399 APR O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 58.071 . 15.548 . 7.636 . -1.032 -0.386 0.586 19 . 51399 APR PA PA PA PA . P . . S 0 . . . 1 N N . . . . 56.778 . 15.038 . 8.330 . -1.129 0.384 -0.823 20 . 51399 APR O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 56.709 . 13.669 . 8.178 . -0.686 1.786 -0.651 21 . 51399 APR O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 55.711 . 15.657 . 7.705 . -2.652 0.362 -1.343 22 . 51399 APR O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 56.727 . 15.443 . 9.983 . -0.183 -0.348 -1.901 23 . 51399 APR PB PB PB PB . P . . R 0 . . . 1 N N . . . . 56.585 . 16.854 . 10.752 . -0.328 0.470 -3.280 24 . 51399 APR O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 57.185 . 17.940 . 9.929 . 0.101 1.871 -3.069 25 . 51399 APR O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 57.257 . 16.795 . 12.071 . -1.865 0.447 -3.758 26 . 51399 APR O5D O5D O5D RO5* . O . . N 0 . . . 1 N N . . . . 54.938 . 17.195 . 10.904 . 0.595 -0.210 -4.408 27 . 51399 APR C5D C5D C5D RC5* . C . . N 0 . . . 1 N N . . . . 54.343 . 16.628 . 12.167 . 0.423 0.556 -5.601 28 . 51399 APR O4D O4D O4D RO4* . O . . N 0 . . . 1 N N . . . . 54.107 . 19.129 . 12.819 . 0.853 -1.385 -6.996 29 . 51399 APR O1D O1D O1D RO1* . O . . N 0 . . . 1 N N . . . . 52.862 . 20.438 . 11.386 . 0.208 -2.680 -8.863 30 . 51399 APR C1D C1D C1D RC1* . C . . R 0 . . . 1 N N . . . . 52.834 . 19.759 . 12.610 . 1.030 -1.602 -8.412 31 . 51399 APR O2D O2D O2D RO2* . O . . N 0 . . . 1 N N . . . . 50.542 . 19.075 . 13.137 . 1.185 -0.064 -10.319 32 . 51399 APR C2D C2D C2D RC2* . C . . R 0 . . . 1 N N . . . . 51.779 . 18.629 . 12.553 . 0.574 -0.261 -9.042 33 . 51399 APR O3D O3D O3D RO3* . O . . N 0 . . . 1 N N . . . . 51.951 . 17.595 . 14.816 . 2.341 1.326 -8.446 34 . 51399 APR C3D C3D C3D RC3* . C . . S 0 . . . 1 N N . . . . 52.364 . 17.465 . 13.367 . 1.096 0.775 -8.014 35 . 51399 APR C4D C4D C4D RC4* . C . . R 0 . . . 1 N N . . . . 53.842 . 17.623 . 13.261 . 1.279 -0.041 -6.720 36 . 51399 APR H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 58.826 . 20.870 . 1.797 . 0.918 -2.381 9.417 37 . 51399 APR H61 H61 H61 1H6 . H . . N 0 . . . 1 N N . . . . 55.391 . 22.448 . 5.680 . 4.416 0.544 9.397 38 . 51399 APR H62 H62 H62 2H6 . H . . N 0 . . . 1 N N . . . . 55.118 . 22.640 . 4.051 . 4.286 1.415 7.966 39 . 51399 APR H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 57.553 . 18.439 . 7.753 . 1.265 1.493 4.196 40 . 51399 APR H'1 H'1 H'1 1H* . H . . N 0 . . . 1 N N . . . . 60.348 . 18.101 . 4.771 . -0.819 -1.592 5.042 41 . 51399 APR H'2 H'2 H'2 2H* . H . . N 0 . . . 1 N N . . . . 60.523 . 19.560 . 7.276 . -1.608 1.279 5.559 42 . 51399 APR HO'2 HO'2 HO'2 2HO* . H . . N 0 . . . 0 N N . . . . 62.741 . 19.086 . 6.988 . -3.464 0.149 6.354 43 . 51399 APR H'3 H'3 H'3 3H* . H . . N 0 . . . 1 N N . . . . 60.384 . 17.837 . 8.926 . -2.801 1.443 3.585 44 . 51399 APR HO'3 HO'3 HO'3 3HO* . H . . N 0 . . . 0 N N . . . . 62.309 . 16.580 . 9.101 . -4.474 0.319 4.673 45 . 51399 APR H'4 H'4 H'4 4H* . H . . N 0 . . . 1 N N . . . . 61.043 . 15.432 . 7.339 . -2.189 -1.407 2.782 46 . 51399 APR H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 59.561 . 14.998 . 9.044 . -2.910 0.293 1.116 47 . 51399 APR H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 59.058 . 16.598 . 9.194 . -1.552 1.340 1.595 48 . 51399 APR HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 54.920 . 15.345 . 8.129 . -2.901 -0.566 -1.442 49 . 51399 APR HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 57.173 . 17.625 . 12.523 . -2.105 -0.480 -3.884 50 . 51399 APR H5R1 H5R1 H5R1 1H5R . H . . N 0 . . . 0 N N . . . . 53.512 . 15.935 . 11.898 . -0.625 0.539 -5.897 51 . 51399 APR H5R2 H5R2 H5R2 2H5R . H . . N 0 . . . 0 N N . . . . 55.071 . 15.919 . 12.626 . 0.732 1.586 -5.418 52 . 51399 APR HOR1 HOR1 HOR1 1HOR . H . . N 0 . . . 0 N N . . . . 52.019 . 20.854 . 11.247 . 0.495 -3.469 -8.385 53 . 51399 APR HR'1 HR'1 HR'1 1HR* . H . . N 0 . . . 0 N N . . . . 52.595 . 20.484 . 13.422 . 2.078 -1.797 -8.642 54 . 51399 APR HOR2 HOR2 HOR2 2HOR . H . . N 0 . . . 0 N N . . . . 49.894 . 18.381 . 13.102 . 0.892 -0.792 -10.884 55 . 51399 APR HR'2 HR'2 HR'2 2HR* . H . . N 0 . . . 0 N N . . . . 51.559 . 18.323 . 11.503 . -0.512 -0.219 -9.122 56 . 51399 APR HOR3 HOR3 HOR3 3HOR . H . . N 0 . . . 0 N N . . . . 52.312 . 16.875 . 15.319 . 2.172 1.772 -9.288 57 . 51399 APR HR'3 HR'3 HR'3 3HR* . H . . N 0 . . . 0 N N . . . . 52.011 . 16.474 . 12.994 . 0.361 1.567 -7.864 58 . 51399 APR HR'4 HR'4 HR'4 4HR* . H . . N 0 . . . 0 N N . . . . 54.373 . 17.409 . 14.217 . 2.329 -0.038 -6.425 59 . 51399 APR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 Y N 1 . 51399 APR 2 . DOUB N1 C6 Y N 2 . 51399 APR 3 . DOUB C2 N3 Y N 3 . 51399 APR 4 . SING C2 H2 N N 4 . 51399 APR 5 . SING N3 C4 Y N 5 . 51399 APR 6 . DOUB C4 C5 Y N 6 . 51399 APR 7 . SING C4 N9 Y N 7 . 51399 APR 8 . SING C5 C6 Y N 8 . 51399 APR 9 . SING C5 N7 Y N 9 . 51399 APR 10 . SING C6 N6 N N 10 . 51399 APR 11 . SING N6 H61 N N 11 . 51399 APR 12 . SING N6 H62 N N 12 . 51399 APR 13 . DOUB N7 C8 Y N 13 . 51399 APR 14 . SING C8 N9 Y N 14 . 51399 APR 15 . SING C8 H8 N N 15 . 51399 APR 16 . SING N9 C1' N N 16 . 51399 APR 17 . SING C1' C2' N N 17 . 51399 APR 18 . SING C1' O4' N N 18 . 51399 APR 19 . SING C1' H'1 N N 19 . 51399 APR 20 . SING C2' O2' N N 20 . 51399 APR 21 . SING C2' C3' N N 21 . 51399 APR 22 . SING C2' H'2 N N 22 . 51399 APR 23 . SING O2' HO'2 N N 23 . 51399 APR 24 . SING C3' O3' N N 24 . 51399 APR 25 . SING C3' C4' N N 25 . 51399 APR 26 . SING C3' H'3 N N 26 . 51399 APR 27 . SING O3' HO'3 N N 27 . 51399 APR 28 . SING O4' C4' N N 28 . 51399 APR 29 . SING C4' C5' N N 29 . 51399 APR 30 . SING C4' H'4 N N 30 . 51399 APR 31 . SING C5' O5' N N 31 . 51399 APR 32 . SING C5' H5'1 N N 32 . 51399 APR 33 . SING C5' H5'2 N N 33 . 51399 APR 34 . SING O5' PA N N 34 . 51399 APR 35 . DOUB PA O1A N N 35 . 51399 APR 36 . SING PA O2A N N 36 . 51399 APR 37 . SING PA O3A N N 37 . 51399 APR 38 . SING O2A HOA2 N N 38 . 51399 APR 39 . SING O3A PB N N 39 . 51399 APR 40 . DOUB PB O1B N N 40 . 51399 APR 41 . SING PB O2B N N 41 . 51399 APR 42 . SING PB O5D N N 42 . 51399 APR 43 . SING O2B HOB2 N N 43 . 51399 APR 44 . SING O5D C5D N N 44 . 51399 APR 45 . SING C5D C4D N N 45 . 51399 APR 46 . SING C5D H5R1 N N 46 . 51399 APR 47 . SING C5D H5R2 N N 47 . 51399 APR 48 . SING O4D C1D N N 48 . 51399 APR 49 . SING O4D C4D N N 49 . 51399 APR 50 . SING O1D C1D N N 50 . 51399 APR 51 . SING O1D HOR1 N N 51 . 51399 APR 52 . SING C1D C2D N N 52 . 51399 APR 53 . SING C1D HR'1 N N 53 . 51399 APR 54 . SING O2D C2D N N 54 . 51399 APR 55 . SING O2D HOR2 N N 55 . 51399 APR 56 . SING C2D C3D N N 56 . 51399 APR 57 . SING C2D HR'2 N N 57 . 51399 APR 58 . SING O3D C3D N N 58 . 51399 APR 59 . SING O3D HOR3 N N 59 . 51399 APR 60 . SING C3D C4D N N 60 . 51399 APR 61 . SING C3D HR'3 N N 61 . 51399 APR 62 . SING C4D HR'4 N N 62 . 51399 APR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51399 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PARP14 macro domain 2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 51399 1 2 APR 'natural abundance' . . 2 $entity_APR . . 5 . . ratio . . . . 51399 1 3 D2O '[U-100% 2H]' . . . . . . 90 . . % . . . . 51399 1 4 H2O 'natural abundance' . . . . . . 10 . . % . . . . 51399 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51399 1 6 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 51399 1 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51399 1 8 EDTA 'natural abundance' . . . . . . 0.4 . . mM . . . . 51399 1 9 'proteases inhibitors' 'natural abundance' . . . . . . 0.1 . . % . . . . 51399 1 10 DSS 'natural abundance' . . . . . . 1 . . % . . . . 51399 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51399 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 51399 1 pH 7 . pH 51399 1 pressure 1 . atm 51399 1 temperature 298 . K 51399 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51399 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51399 1 processing . 51399 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51399 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51399 2 'peak picking' . 51399 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51399 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51399 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 6 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 7 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 8 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 9 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51399 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51399 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'reference 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51399 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51399 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51399 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51399 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 51399 1 2 '2D 1H-13C HSQC' . . . 51399 1 3 '3D HNCO' . . . 51399 1 4 '3D HN(CA)CO' . . . 51399 1 5 '3D HN(CO)CA' . . . 51399 1 6 '3D HNCA' . . . 51399 1 7 '3D CBCA(CO)NH' . . . 51399 1 8 '3D CBCANH' . . . 51399 1 9 '3D (H)CCH-TOCSY' . . . 51399 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51399 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ALA HA H 1 4.357 0.020 . 1 . . . . . 2 ALA HA . 51399 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.383 0.020 . 1 . . . . . 2 ALA HB . 51399 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.383 0.020 . 1 . . . . . 2 ALA HB . 51399 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.383 0.020 . 1 . . . . . 2 ALA HB . 51399 1 5 . 1 . 1 2 2 ALA C C 13 177.829 0.3 . 1 . . . . . 2 ALA C . 51399 1 6 . 1 . 1 2 2 ALA CA C 13 52.397 0.3 . 1 . . . . . 2 ALA CA . 51399 1 7 . 1 . 1 2 2 ALA CB C 13 19.096 0.3 . 1 . . . . . 2 ALA CB . 51399 1 8 . 1 . 1 3 3 MET H H 1 8.569 0.020 . 1 . . . . . 3 MET H . 51399 1 9 . 1 . 1 3 3 MET HA H 1 4.769 0.020 . 1 . . . . . 3 MET HA . 51399 1 10 . 1 . 1 3 3 MET HB2 H 1 2.109 0.020 . 2 . . . . . 3 MET HB2 . 51399 1 11 . 1 . 1 3 3 MET HB3 H 1 2.018 0.020 . 2 . . . . . 3 MET HB3 . 51399 1 12 . 1 . 1 3 3 MET HG2 H 1 2.615 0.020 . 2 . . . . . 3 MET HG2 . 51399 1 13 . 1 . 1 3 3 MET HG3 H 1 2.543 0.020 . 2 . . . . . 3 MET HG3 . 51399 1 14 . 1 . 1 3 3 MET C C 13 176.766 0.3 . 1 . . . . . 3 MET C . 51399 1 15 . 1 . 1 3 3 MET CA C 13 55.350 0.3 . 1 . . . . . 3 MET CA . 51399 1 16 . 1 . 1 3 3 MET CB C 13 32.487 0.3 . 1 . . . . . 3 MET CB . 51399 1 17 . 1 . 1 3 3 MET CG C 13 31.902 0.3 . 1 . . . . . 3 MET CG . 51399 1 18 . 1 . 1 3 3 MET N N 15 119.822 0.3 . 1 . . . . . 3 MET N . 51399 1 19 . 1 . 1 4 4 GLY H H 1 8.446 0.020 . 1 . . . . . 4 GLY H . 51399 1 20 . 1 . 1 4 4 GLY HA2 H 1 3.966 0.020 . 1 . . . . . 4 GLY HA1 . 51399 1 21 . 1 . 1 4 4 GLY HA3 H 1 3.966 0.020 . 1 . . . . . 4 GLY HA2 . 51399 1 22 . 1 . 1 4 4 GLY C C 13 174.544 0.3 . 1 . . . . . 4 GLY C . 51399 1 23 . 1 . 1 4 4 GLY CA C 13 45.224 0.3 . 1 . . . . . 4 GLY CA . 51399 1 24 . 1 . 1 4 4 GLY N N 15 110.205 0.3 . 1 . . . . . 4 GLY N . 51399 1 25 . 1 . 1 5 5 GLY H H 1 8.304 0.020 . 1 . . . . . 5 GLY H . 51399 1 26 . 1 . 1 5 5 GLY HA2 H 1 3.969 0.020 . 1 . . . . . 5 GLY HA1 . 51399 1 27 . 1 . 1 5 5 GLY HA3 H 1 3.969 0.020 . 1 . . . . . 5 GLY HA2 . 51399 1 28 . 1 . 1 5 5 GLY C C 13 174.020 0.3 . 1 . . . . . 5 GLY C . 51399 1 29 . 1 . 1 5 5 GLY CA C 13 45.049 0.3 . 1 . . . . . 5 GLY CA . 51399 1 30 . 1 . 1 5 5 GLY N N 15 108.612 0.3 . 1 . . . . . 5 GLY N . 51399 1 31 . 1 . 1 6 6 LYS H H 1 8.228 0.020 . 1 . . . . . 6 LYS H . 51399 1 32 . 1 . 1 6 6 LYS HA H 1 4.367 0.020 . 1 . . . . . 6 LYS HA . 51399 1 33 . 1 . 1 6 6 LYS HB2 H 1 1.821 0.020 . 2 . . . . . 6 LYS HB2 . 51399 1 34 . 1 . 1 6 6 LYS HB3 H 1 1.726 0.020 . 2 . . . . . 6 LYS HB3 . 51399 1 35 . 1 . 1 6 6 LYS HG2 H 1 1.419 0.020 . 2 . . . . . 6 LYS HG2 . 51399 1 36 . 1 . 1 6 6 LYS HG3 H 1 1.375 0.020 . 2 . . . . . 6 LYS HG3 . 51399 1 37 . 1 . 1 6 6 LYS HD2 H 1 1.645 0.020 . 1 . . . . . 6 LYS HD2 . 51399 1 38 . 1 . 1 6 6 LYS HD3 H 1 1.645 0.020 . 1 . . . . . 6 LYS HD3 . 51399 1 39 . 1 . 1 6 6 LYS HE2 H 1 2.976 0.020 . 1 . . . . . 6 LYS HE2 . 51399 1 40 . 1 . 1 6 6 LYS HE3 H 1 2.976 0.020 . 1 . . . . . 6 LYS HE3 . 51399 1 41 . 1 . 1 6 6 LYS C C 13 176.826 0.3 . 1 . . . . . 6 LYS C . 51399 1 42 . 1 . 1 6 6 LYS CA C 13 56.241 0.3 . 1 . . . . . 6 LYS CA . 51399 1 43 . 1 . 1 6 6 LYS CB C 13 33.150 0.3 . 1 . . . . . 6 LYS CB . 51399 1 44 . 1 . 1 6 6 LYS CG C 13 24.731 0.3 . 1 . . . . . 6 LYS CG . 51399 1 45 . 1 . 1 6 6 LYS CD C 13 28.828 0.3 . 1 . . . . . 6 LYS CD . 51399 1 46 . 1 . 1 6 6 LYS CE C 13 41.924 0.3 . 1 . . . . . 6 LYS CE . 51399 1 47 . 1 . 1 6 6 LYS N N 15 120.644 0.3 . 1 . . . . . 6 LYS N . 51399 1 48 . 1 . 1 7 7 THR H H 1 8.262 0.020 . 1 . . . . . 7 THR H . 51399 1 49 . 1 . 1 7 7 THR HA H 1 4.347 0.020 . 1 . . . . . 7 THR HA . 51399 1 50 . 1 . 1 7 7 THR HB H 1 4.123 0.020 . 1 . . . . . 7 THR HB . 51399 1 51 . 1 . 1 7 7 THR HG21 H 1 1.142 0.020 . 1 . . . . . 7 THR HG2 . 51399 1 52 . 1 . 1 7 7 THR HG22 H 1 1.142 0.020 . 1 . . . . . 7 THR HG2 . 51399 1 53 . 1 . 1 7 7 THR HG23 H 1 1.142 0.020 . 1 . . . . . 7 THR HG2 . 51399 1 54 . 1 . 1 7 7 THR C C 13 174.450 0.3 . 1 . . . . . 7 THR C . 51399 1 55 . 1 . 1 7 7 THR CA C 13 61.729 0.3 . 1 . . . . . 7 THR CA . 51399 1 56 . 1 . 1 7 7 THR CB C 13 70.036 0.3 . 1 . . . . . 7 THR CB . 51399 1 57 . 1 . 1 7 7 THR CG2 C 13 21.580 0.3 . 1 . . . . . 7 THR CG2 . 51399 1 58 . 1 . 1 7 7 THR N N 15 114.848 0.3 . 1 . . . . . 7 THR N . 51399 1 59 . 1 . 1 8 8 SER H H 1 8.271 0.020 . 1 . . . . . 8 SER H . 51399 1 60 . 1 . 1 8 8 SER HA H 1 4.436 0.020 . 1 . . . . . 8 SER HA . 51399 1 61 . 1 . 1 8 8 SER HB2 H 1 3.795 0.020 . 1 . . . . . 8 SER HB2 . 51399 1 62 . 1 . 1 8 8 SER HB3 H 1 3.795 0.020 . 1 . . . . . 8 SER HB3 . 51399 1 63 . 1 . 1 8 8 SER C C 13 174.139 0.3 . 1 . . . . . 8 SER C . 51399 1 64 . 1 . 1 8 8 SER CA C 13 58.234 0.3 . 1 . . . . . 8 SER CA . 51399 1 65 . 1 . 1 8 8 SER CB C 13 63.850 0.3 . 1 . . . . . 8 SER CB . 51399 1 66 . 1 . 1 8 8 SER N N 15 117.621 0.3 . 1 . . . . . 8 SER N . 51399 1 67 . 1 . 1 9 9 TRP H H 1 8.130 0.020 . 1 . . . . . 9 TRP H . 51399 1 68 . 1 . 1 9 9 TRP HA H 1 4.746 0.020 . 1 . . . . . 9 TRP HA . 51399 1 69 . 1 . 1 9 9 TRP HB2 H 1 3.314 0.020 . 2 . . . . . 9 TRP HB2 . 51399 1 70 . 1 . 1 9 9 TRP HB3 H 1 3.227 0.020 . 2 . . . . . 9 TRP HB3 . 51399 1 71 . 1 . 1 9 9 TRP C C 13 176.384 0.3 . 1 . . . . . 9 TRP C . 51399 1 72 . 1 . 1 9 9 TRP CA C 13 57.246 0.3 . 1 . . . . . 9 TRP CA . 51399 1 73 . 1 . 1 9 9 TRP CB C 13 29.258 0.3 . 1 . . . . . 9 TRP CB . 51399 1 74 . 1 . 1 9 9 TRP N N 15 122.751 0.3 . 1 . . . . . 9 TRP N . 51399 1 75 . 1 . 1 10 10 GLU H H 1 8.363 0.020 . 1 . . . . . 10 GLU H . 51399 1 76 . 1 . 1 10 10 GLU HA H 1 4.181 0.020 . 1 . . . . . 10 GLU HA . 51399 1 77 . 1 . 1 10 10 GLU HB2 H 1 1.845 0.020 . 2 . . . . . 10 GLU HB2 . 51399 1 78 . 1 . 1 10 10 GLU HB3 H 1 1.716 0.020 . 2 . . . . . 10 GLU HB3 . 51399 1 79 . 1 . 1 10 10 GLU HG2 H 1 2.124 0.020 . 1 . . . . . 10 GLU HG2 . 51399 1 80 . 1 . 1 10 10 GLU HG3 H 1 2.124 0.020 . 1 . . . . . 10 GLU HG3 . 51399 1 81 . 1 . 1 10 10 GLU C C 13 176.456 0.3 . 1 . . . . . 10 GLU C . 51399 1 82 . 1 . 1 10 10 GLU CA C 13 56.951 0.3 . 1 . . . . . 10 GLU CA . 51399 1 83 . 1 . 1 10 10 GLU CB C 13 29.811 0.3 . 1 . . . . . 10 GLU CB . 51399 1 84 . 1 . 1 10 10 GLU CG C 13 35.963 0.3 . 1 . . . . . 10 GLU CG . 51399 1 85 . 1 . 1 10 10 GLU N N 15 123.155 0.3 . 1 . . . . . 10 GLU N . 51399 1 86 . 1 . 1 11 11 LYS H H 1 7.847 0.020 . 1 . . . . . 11 LYS H . 51399 1 87 . 1 . 1 11 11 LYS HA H 1 4.315 0.020 . 1 . . . . . 11 LYS HA . 51399 1 88 . 1 . 1 11 11 LYS HB2 H 1 1.892 0.020 . 2 . . . . . 11 LYS HB2 . 51399 1 89 . 1 . 1 11 11 LYS HB3 H 1 1.822 0.020 . 2 . . . . . 11 LYS HB3 . 51399 1 90 . 1 . 1 11 11 LYS HG2 H 1 1.418 0.020 . 2 . . . . . 11 LYS HG2 . 51399 1 91 . 1 . 1 11 11 LYS HG3 H 1 1.372 0.020 . 2 . . . . . 11 LYS HG3 . 51399 1 92 . 1 . 1 11 11 LYS HD2 H 1 1.647 0.020 . 1 . . . . . 11 LYS HD2 . 51399 1 93 . 1 . 1 11 11 LYS HD3 H 1 1.647 0.020 . 1 . . . . . 11 LYS HD3 . 51399 1 94 . 1 . 1 11 11 LYS HE2 H 1 2.975 0.020 . 1 . . . . . 11 LYS HE2 . 51399 1 95 . 1 . 1 11 11 LYS HE3 H 1 2.975 0.020 . 1 . . . . . 11 LYS HE3 . 51399 1 96 . 1 . 1 11 11 LYS C C 13 176.599 0.3 . 1 . . . . . 11 LYS C . 51399 1 97 . 1 . 1 11 11 LYS CA C 13 56.325 0.3 . 1 . . . . . 11 LYS CA . 51399 1 98 . 1 . 1 11 11 LYS CB C 13 32.339 0.3 . 1 . . . . . 11 LYS CB . 51399 1 99 . 1 . 1 11 11 LYS CG C 13 24.722 0.3 . 1 . . . . . 11 LYS CG . 51399 1 100 . 1 . 1 11 11 LYS CD C 13 29.090 0.3 . 1 . . . . . 11 LYS CD . 51399 1 101 . 1 . 1 11 11 LYS CE C 13 41.922 0.3 . 1 . . . . . 11 LYS CE . 51399 1 102 . 1 . 1 11 11 LYS N N 15 120.009 0.3 . 1 . . . . . 11 LYS N . 51399 1 103 . 1 . 1 12 12 GLY H H 1 8.451 0.020 . 1 . . . . . 12 GLY H . 51399 1 104 . 1 . 1 12 12 GLY HA2 H 1 3.970 0.020 . 1 . . . . . 12 GLY HA1 . 51399 1 105 . 1 . 1 12 12 GLY HA3 H 1 3.970 0.020 . 1 . . . . . 12 GLY HA2 . 51399 1 106 . 1 . 1 12 12 GLY C C 13 173.178 0.3 . 1 . . . . . 12 GLY C . 51399 1 107 . 1 . 1 12 12 GLY CA C 13 45.643 0.3 . 1 . . . . . 12 GLY CA . 51399 1 108 . 1 . 1 12 12 GLY N N 15 109.093 0.3 . 1 . . . . . 12 GLY N . 51399 1 109 . 1 . 1 13 13 SER H H 1 7.976 0.020 . 1 . . . . . 13 SER H . 51399 1 110 . 1 . 1 13 13 SER HA H 1 5.565 0.020 . 1 . . . . . 13 SER HA . 51399 1 111 . 1 . 1 13 13 SER HB2 H 1 3.842 0.020 . 2 . . . . . 13 SER HB2 . 51399 1 112 . 1 . 1 13 13 SER HB3 H 1 3.816 0.020 . 2 . . . . . 13 SER HB3 . 51399 1 113 . 1 . 1 13 13 SER C C 13 173.141 0.3 . 1 . . . . . 13 SER C . 51399 1 114 . 1 . 1 13 13 SER CA C 13 56.942 0.3 . 1 . . . . . 13 SER CA . 51399 1 115 . 1 . 1 13 13 SER CB C 13 65.802 0.3 . 1 . . . . . 13 SER CB . 51399 1 116 . 1 . 1 13 13 SER N N 15 114.493 0.3 . 1 . . . . . 13 SER N . 51399 1 117 . 1 . 1 14 14 LEU H H 1 8.825 0.020 . 1 . . . . . 14 LEU H . 51399 1 118 . 1 . 1 14 14 LEU HA H 1 5.226 0.020 . 1 . . . . . 14 LEU HA . 51399 1 119 . 1 . 1 14 14 LEU HB2 H 1 1.274 0.020 . 2 . . . . . 14 LEU HB2 . 51399 1 120 . 1 . 1 14 14 LEU HB3 H 1 1.158 0.020 . 2 . . . . . 14 LEU HB3 . 51399 1 121 . 1 . 1 14 14 LEU HG H 1 1.299 0.020 . 1 . . . . . 14 LEU HG . 51399 1 122 . 1 . 1 14 14 LEU HD11 H 1 0.556 0.020 . 2 . . . . . 14 LEU HD1 . 51399 1 123 . 1 . 1 14 14 LEU HD12 H 1 0.556 0.020 . 2 . . . . . 14 LEU HD1 . 51399 1 124 . 1 . 1 14 14 LEU HD13 H 1 0.556 0.020 . 2 . . . . . 14 LEU HD1 . 51399 1 125 . 1 . 1 14 14 LEU HD21 H 1 0.431 0.020 . 2 . . . . . 14 LEU HD2 . 51399 1 126 . 1 . 1 14 14 LEU HD22 H 1 0.431 0.020 . 2 . . . . . 14 LEU HD2 . 51399 1 127 . 1 . 1 14 14 LEU HD23 H 1 0.431 0.020 . 2 . . . . . 14 LEU HD2 . 51399 1 128 . 1 . 1 14 14 LEU C C 13 174.880 0.3 . 1 . . . . . 14 LEU C . 51399 1 129 . 1 . 1 14 14 LEU CA C 13 53.901 0.3 . 1 . . . . . 14 LEU CA . 51399 1 130 . 1 . 1 14 14 LEU CB C 13 45.662 0.3 . 1 . . . . . 14 LEU CB . 51399 1 131 . 1 . 1 14 14 LEU CG C 13 27.533 0.3 . 1 . . . . . 14 LEU CG . 51399 1 132 . 1 . 1 14 14 LEU CD1 C 13 24.409 0.3 . 1 . . . . . 14 LEU CD1 . 51399 1 133 . 1 . 1 14 14 LEU CD2 C 13 24.172 0.3 . 1 . . . . . 14 LEU CD2 . 51399 1 134 . 1 . 1 14 14 LEU N N 15 123.847 0.3 . 1 . . . . . 14 LEU N . 51399 1 135 . 1 . 1 15 15 VAL H H 1 8.427 0.020 . 1 . . . . . 15 VAL H . 51399 1 136 . 1 . 1 15 15 VAL HA H 1 4.694 0.020 . 1 . . . . . 15 VAL HA . 51399 1 137 . 1 . 1 15 15 VAL HB H 1 1.600 0.020 . 1 . . . . . 15 VAL HB . 51399 1 138 . 1 . 1 15 15 VAL HG11 H 1 0.750 0.020 . 1 . . . . . 15 VAL HG1 . 51399 1 139 . 1 . 1 15 15 VAL HG12 H 1 0.750 0.020 . 1 . . . . . 15 VAL HG1 . 51399 1 140 . 1 . 1 15 15 VAL HG13 H 1 0.750 0.020 . 1 . . . . . 15 VAL HG1 . 51399 1 141 . 1 . 1 15 15 VAL HG21 H 1 0.865 0.020 . 1 . . . . . 15 VAL HG2 . 51399 1 142 . 1 . 1 15 15 VAL HG22 H 1 0.865 0.020 . 1 . . . . . 15 VAL HG2 . 51399 1 143 . 1 . 1 15 15 VAL HG23 H 1 0.865 0.020 . 1 . . . . . 15 VAL HG2 . 51399 1 144 . 1 . 1 15 15 VAL C C 13 175.846 0.3 . 1 . . . . . 15 VAL C . 51399 1 145 . 1 . 1 15 15 VAL CA C 13 60.587 0.3 . 1 . . . . . 15 VAL CA . 51399 1 146 . 1 . 1 15 15 VAL CB C 13 33.343 0.3 . 1 . . . . . 15 VAL CB . 51399 1 147 . 1 . 1 15 15 VAL CG1 C 13 21.738 0.3 . 1 . . . . . 15 VAL CG1 . 51399 1 148 . 1 . 1 15 15 VAL CG2 C 13 19.978 0.3 . 1 . . . . . 15 VAL CG2 . 51399 1 149 . 1 . 1 15 15 VAL N N 15 122.758 0.3 . 1 . . . . . 15 VAL N . 51399 1 150 . 1 . 1 16 16 SER H H 1 8.806 0.020 . 1 . . . . . 16 SER H . 51399 1 151 . 1 . 1 16 16 SER HA H 1 4.423 0.020 . 1 . . . . . 16 SER HA . 51399 1 152 . 1 . 1 16 16 SER HB2 H 1 3.358 0.020 . 1 . . . . . 16 SER HB2 . 51399 1 153 . 1 . 1 16 16 SER HB3 H 1 3.358 0.020 . 1 . . . . . 16 SER HB3 . 51399 1 154 . 1 . 1 16 16 SER CA C 13 56.464 0.3 . 1 . . . . . 16 SER CA . 51399 1 155 . 1 . 1 16 16 SER CB C 13 63.003 0.3 . 1 . . . . . 16 SER CB . 51399 1 156 . 1 . 1 16 16 SER N N 15 123.450 0.3 . 1 . . . . . 16 SER N . 51399 1 157 . 1 . 1 17 17 PRO HA H 1 4.321 0.020 . 1 . . . . . 17 PRO HA . 51399 1 158 . 1 . 1 17 17 PRO HB2 H 1 2.397 0.020 . 1 . . . . . 17 PRO HB2 . 51399 1 159 . 1 . 1 17 17 PRO HB3 H 1 2.397 0.020 . 1 . . . . . 17 PRO HB3 . 51399 1 160 . 1 . 1 17 17 PRO HG2 H 1 2.151 0.020 . 2 . . . . . 17 PRO HG2 . 51399 1 161 . 1 . 1 17 17 PRO HG3 H 1 2.060 0.020 . 2 . . . . . 17 PRO HG3 . 51399 1 162 . 1 . 1 17 17 PRO HD2 H 1 3.729 0.020 . 1 . . . . . 17 PRO HD2 . 51399 1 163 . 1 . 1 17 17 PRO HD3 H 1 3.729 0.020 . 1 . . . . . 17 PRO HD3 . 51399 1 164 . 1 . 1 17 17 PRO C C 13 177.626 0.3 . 1 . . . . . 17 PRO C . 51399 1 165 . 1 . 1 17 17 PRO CA C 13 65.434 0.3 . 1 . . . . . 17 PRO CA . 51399 1 166 . 1 . 1 17 17 PRO CB C 13 31.293 0.3 . 1 . . . . . 17 PRO CB . 51399 1 167 . 1 . 1 17 17 PRO CG C 13 27.848 0.3 . 1 . . . . . 17 PRO CG . 51399 1 168 . 1 . 1 17 17 PRO CD C 13 50.152 0.3 . 1 . . . . . 17 PRO CD . 51399 1 169 . 1 . 1 18 18 GLY H H 1 8.127 0.020 . 1 . . . . . 18 GLY H . 51399 1 170 . 1 . 1 18 18 GLY HA2 H 1 4.076 0.020 . 2 . . . . . 18 GLY HA1 . 51399 1 171 . 1 . 1 18 18 GLY HA3 H 1 3.793 0.020 . 2 . . . . . 18 GLY HA2 . 51399 1 172 . 1 . 1 18 18 GLY C C 13 174.844 0.3 . 1 . . . . . 18 GLY C . 51399 1 173 . 1 . 1 18 18 GLY CA C 13 44.963 0.3 . 1 . . . . . 18 GLY CA . 51399 1 174 . 1 . 1 18 18 GLY N N 15 105.343 0.3 . 1 . . . . . 18 GLY N . 51399 1 175 . 1 . 1 19 19 GLY H H 1 8.139 0.020 . 1 . . . . . 19 GLY H . 51399 1 176 . 1 . 1 19 19 GLY HA2 H 1 4.355 0.020 . 2 . . . . . 19 GLY HA1 . 51399 1 177 . 1 . 1 19 19 GLY HA3 H 1 3.504 0.020 . 2 . . . . . 19 GLY HA2 . 51399 1 178 . 1 . 1 19 19 GLY C C 13 173.829 0.3 . 1 . . . . . 19 GLY C . 51399 1 179 . 1 . 1 19 19 GLY CA C 13 45.033 0.3 . 1 . . . . . 19 GLY CA . 51399 1 180 . 1 . 1 19 19 GLY N N 15 107.946 0.3 . 1 . . . . . 19 GLY N . 51399 1 181 . 1 . 1 20 20 LEU H H 1 7.346 0.020 . 1 . . . . . 20 LEU H . 51399 1 182 . 1 . 1 20 20 LEU HA H 1 4.316 0.020 . 1 . . . . . 20 LEU HA . 51399 1 183 . 1 . 1 20 20 LEU HB2 H 1 1.416 0.020 . 1 . . . . . 20 LEU HB2 . 51399 1 184 . 1 . 1 20 20 LEU HB3 H 1 1.416 0.020 . 1 . . . . . 20 LEU HB3 . 51399 1 185 . 1 . 1 20 20 LEU HG H 1 0.837 0.020 . 1 . . . . . 20 LEU HG . 51399 1 186 . 1 . 1 20 20 LEU HD11 H 1 0.623 0.020 . 1 . . . . . 20 LEU HD1 . 51399 1 187 . 1 . 1 20 20 LEU HD12 H 1 0.623 0.020 . 1 . . . . . 20 LEU HD1 . 51399 1 188 . 1 . 1 20 20 LEU HD13 H 1 0.623 0.020 . 1 . . . . . 20 LEU HD1 . 51399 1 189 . 1 . 1 20 20 LEU HD21 H 1 0.759 0.020 . 1 . . . . . 20 LEU HD2 . 51399 1 190 . 1 . 1 20 20 LEU HD22 H 1 0.759 0.020 . 1 . . . . . 20 LEU HD2 . 51399 1 191 . 1 . 1 20 20 LEU HD23 H 1 0.759 0.020 . 1 . . . . . 20 LEU HD2 . 51399 1 192 . 1 . 1 20 20 LEU C C 13 175.154 0.3 . 1 . . . . . 20 LEU C . 51399 1 193 . 1 . 1 20 20 LEU CA C 13 55.294 0.3 . 1 . . . . . 20 LEU CA . 51399 1 194 . 1 . 1 20 20 LEU CB C 13 42.434 0.3 . 1 . . . . . 20 LEU CB . 51399 1 195 . 1 . 1 20 20 LEU CG C 13 26.485 0.3 . 1 . . . . . 20 LEU CG . 51399 1 196 . 1 . 1 20 20 LEU CD1 C 13 25.007 0.3 . 1 . . . . . 20 LEU CD1 . 51399 1 197 . 1 . 1 20 20 LEU CD2 C 13 24.752 0.3 . 1 . . . . . 20 LEU CD2 . 51399 1 198 . 1 . 1 20 20 LEU N N 15 122.242 0.3 . 1 . . . . . 20 LEU N . 51399 1 199 . 1 . 1 21 21 GLN H H 1 8.097 0.020 . 1 . . . . . 21 GLN H . 51399 1 200 . 1 . 1 21 21 GLN HA H 1 4.860 0.020 . 1 . . . . . 21 GLN HA . 51399 1 201 . 1 . 1 21 21 GLN HB2 H 1 2.180 0.020 . 1 . . . . . 21 GLN HB2 . 51399 1 202 . 1 . 1 21 21 GLN HB3 H 1 2.180 0.020 . 1 . . . . . 21 GLN HB3 . 51399 1 203 . 1 . 1 21 21 GLN HG2 H 1 2.437 0.020 . 2 . . . . . 21 GLN HG2 . 51399 1 204 . 1 . 1 21 21 GLN HG3 H 1 2.255 0.020 . 2 . . . . . 21 GLN HG3 . 51399 1 205 . 1 . 1 21 21 GLN C C 13 174.575 0.3 . 1 . . . . . 21 GLN C . 51399 1 206 . 1 . 1 21 21 GLN CA C 13 55.286 0.3 . 1 . . . . . 21 GLN CA . 51399 1 207 . 1 . 1 21 21 GLN CB C 13 30.903 0.3 . 1 . . . . . 21 GLN CB . 51399 1 208 . 1 . 1 21 21 GLN CG C 13 34.244 0.3 . 1 . . . . . 21 GLN CG . 51399 1 209 . 1 . 1 21 21 GLN N N 15 125.838 0.3 . 1 . . . . . 21 GLN N . 51399 1 210 . 1 . 1 22 22 MET H H 1 9.277 0.020 . 1 . . . . . 22 MET H . 51399 1 211 . 1 . 1 22 22 MET HA H 1 5.678 0.020 . 1 . . . . . 22 MET HA . 51399 1 212 . 1 . 1 22 22 MET HB2 H 1 2.122 0.020 . 1 . . . . . 22 MET HB2 . 51399 1 213 . 1 . 1 22 22 MET HB3 H 1 2.122 0.020 . 1 . . . . . 22 MET HB3 . 51399 1 214 . 1 . 1 22 22 MET HG2 H 1 2.485 0.020 . 2 . . . . . 22 MET HG2 . 51399 1 215 . 1 . 1 22 22 MET HG3 H 1 2.071 0.020 . 2 . . . . . 22 MET HG3 . 51399 1 216 . 1 . 1 22 22 MET C C 13 174.951 0.3 . 1 . . . . . 22 MET C . 51399 1 217 . 1 . 1 22 22 MET CA C 13 53.776 0.3 . 1 . . . . . 22 MET CA . 51399 1 218 . 1 . 1 22 22 MET CB C 13 37.968 0.3 . 1 . . . . . 22 MET CB . 51399 1 219 . 1 . 1 22 22 MET CG C 13 33.379 0.3 . 1 . . . . . 22 MET CG . 51399 1 220 . 1 . 1 22 22 MET N N 15 123.127 0.3 . 1 . . . . . 22 MET N . 51399 1 221 . 1 . 1 23 23 LEU H H 1 8.571 0.020 . 1 . . . . . 23 LEU H . 51399 1 222 . 1 . 1 23 23 LEU HA H 1 5.224 0.020 . 1 . . . . . 23 LEU HA . 51399 1 223 . 1 . 1 23 23 LEU HB2 H 1 1.271 0.020 . 2 . . . . . 23 LEU HB2 . 51399 1 224 . 1 . 1 23 23 LEU HB3 H 1 1.039 0.020 . 2 . . . . . 23 LEU HB3 . 51399 1 225 . 1 . 1 23 23 LEU HG H 1 1.297 0.020 . 1 . . . . . 23 LEU HG . 51399 1 226 . 1 . 1 23 23 LEU HD11 H 1 0.556 0.020 . 2 . . . . . 23 LEU HD1 . 51399 1 227 . 1 . 1 23 23 LEU HD12 H 1 0.556 0.020 . 2 . . . . . 23 LEU HD1 . 51399 1 228 . 1 . 1 23 23 LEU HD13 H 1 0.556 0.020 . 2 . . . . . 23 LEU HD1 . 51399 1 229 . 1 . 1 23 23 LEU HD21 H 1 0.431 0.020 . 1 . . . . . 23 LEU HD2 . 51399 1 230 . 1 . 1 23 23 LEU HD22 H 1 0.431 0.020 . 1 . . . . . 23 LEU HD2 . 51399 1 231 . 1 . 1 23 23 LEU HD23 H 1 0.431 0.020 . 1 . . . . . 23 LEU HD2 . 51399 1 232 . 1 . 1 23 23 LEU C C 13 174.569 0.3 . 1 . . . . . 23 LEU C . 51399 1 233 . 1 . 1 23 23 LEU CA C 13 53.790 0.3 . 1 . . . . . 23 LEU CA . 51399 1 234 . 1 . 1 23 23 LEU CB C 13 45.624 0.3 . 1 . . . . . 23 LEU CB . 51399 1 235 . 1 . 1 23 23 LEU CG C 13 27.848 0.3 . 1 . . . . . 23 LEU CG . 51399 1 236 . 1 . 1 23 23 LEU CD1 C 13 24.401 0.3 . 1 . . . . . 23 LEU CD1 . 51399 1 237 . 1 . 1 23 23 LEU CD2 C 13 24.163 0.3 . 1 . . . . . 23 LEU CD2 . 51399 1 238 . 1 . 1 23 23 LEU N N 15 122.073 0.3 . 1 . . . . . 23 LEU N . 51399 1 239 . 1 . 1 24 24 LEU H H 1 8.501 0.020 . 1 . . . . . 24 LEU H . 51399 1 240 . 1 . 1 24 24 LEU HA H 1 4.579 0.020 . 1 . . . . . 24 LEU HA . 51399 1 241 . 1 . 1 24 24 LEU HB2 H 1 1.200 0.020 . 2 . . . . . 24 LEU HB2 . 51399 1 242 . 1 . 1 24 24 LEU HB3 H 1 0.886 0.020 . 2 . . . . . 24 LEU HB3 . 51399 1 243 . 1 . 1 24 24 LEU HG H 1 1.039 0.020 . 1 . . . . . 24 LEU HG . 51399 1 244 . 1 . 1 24 24 LEU HD11 H 1 0.403 0.020 . 2 . . . . . 24 LEU HD1 . 51399 1 245 . 1 . 1 24 24 LEU HD12 H 1 0.403 0.020 . 2 . . . . . 24 LEU HD1 . 51399 1 246 . 1 . 1 24 24 LEU HD13 H 1 0.403 0.020 . 2 . . . . . 24 LEU HD1 . 51399 1 247 . 1 . 1 24 24 LEU HD21 H 1 0.494 0.020 . 2 . . . . . 24 LEU HD2 . 51399 1 248 . 1 . 1 24 24 LEU HD22 H 1 0.494 0.020 . 2 . . . . . 24 LEU HD2 . 51399 1 249 . 1 . 1 24 24 LEU HD23 H 1 0.494 0.020 . 2 . . . . . 24 LEU HD2 . 51399 1 250 . 1 . 1 24 24 LEU C C 13 175.560 0.3 . 1 . . . . . 24 LEU C . 51399 1 251 . 1 . 1 24 24 LEU CA C 13 54.960 0.3 . 1 . . . . . 24 LEU CA . 51399 1 252 . 1 . 1 24 24 LEU CB C 13 41.917 0.3 . 1 . . . . . 24 LEU CB . 51399 1 253 . 1 . 1 24 24 LEU CG C 13 27.532 0.3 . 1 . . . . . 24 LEU CG . 51399 1 254 . 1 . 1 24 24 LEU CD1 C 13 25.283 0.3 . 1 . . . . . 24 LEU CD1 . 51399 1 255 . 1 . 1 24 24 LEU CD2 C 13 25.026 0.3 . 1 . . . . . 24 LEU CD2 . 51399 1 256 . 1 . 1 24 24 LEU N N 15 124.474 0.3 . 1 . . . . . 24 LEU N . 51399 1 257 . 1 . 1 25 25 VAL H H 1 9.081 0.020 . 1 . . . . . 25 VAL H . 51399 1 258 . 1 . 1 25 25 VAL HA H 1 4.181 0.020 . 1 . . . . . 25 VAL HA . 51399 1 259 . 1 . 1 25 25 VAL HB H 1 2.101 0.020 . 1 . . . . . 25 VAL HB . 51399 1 260 . 1 . 1 25 25 VAL HG11 H 1 0.855 0.020 . 1 . . . . . 25 VAL HG1 . 51399 1 261 . 1 . 1 25 25 VAL HG12 H 1 0.855 0.020 . 1 . . . . . 25 VAL HG1 . 51399 1 262 . 1 . 1 25 25 VAL HG13 H 1 0.855 0.020 . 1 . . . . . 25 VAL HG1 . 51399 1 263 . 1 . 1 25 25 VAL HG21 H 1 0.704 0.020 . 1 . . . . . 25 VAL HG2 . 51399 1 264 . 1 . 1 25 25 VAL HG22 H 1 0.704 0.020 . 1 . . . . . 25 VAL HG2 . 51399 1 265 . 1 . 1 25 25 VAL HG23 H 1 0.704 0.020 . 1 . . . . . 25 VAL HG2 . 51399 1 266 . 1 . 1 25 25 VAL C C 13 174.032 0.3 . 1 . . . . . 25 VAL C . 51399 1 267 . 1 . 1 25 25 VAL CA C 13 61.757 0.3 . 1 . . . . . 25 VAL CA . 51399 1 268 . 1 . 1 25 25 VAL CB C 13 33.935 0.3 . 1 . . . . . 25 VAL CB . 51399 1 269 . 1 . 1 25 25 VAL CG1 C 13 21.324 0.3 . 1 . . . . . 25 VAL CG1 . 51399 1 270 . 1 . 1 25 25 VAL CG2 C 13 20.291 0.3 . 1 . . . . . 25 VAL CG2 . 51399 1 271 . 1 . 1 25 25 VAL N N 15 128.299 0.3 . 1 . . . . . 25 VAL N . 51399 1 272 . 1 . 1 26 26 LYS H H 1 8.603 0.020 . 1 . . . . . 26 LYS H . 51399 1 273 . 1 . 1 26 26 LYS HA H 1 5.149 0.020 . 1 . . . . . 26 LYS HA . 51399 1 274 . 1 . 1 26 26 LYS HB2 H 1 1.708 0.020 . 2 . . . . . 26 LYS HB2 . 51399 1 275 . 1 . 1 26 26 LYS HB3 H 1 1.435 0.020 . 2 . . . . . 26 LYS HB3 . 51399 1 276 . 1 . 1 26 26 LYS HG2 H 1 1.089 0.020 . 1 . . . . . 26 LYS HG2 . 51399 1 277 . 1 . 1 26 26 LYS HG3 H 1 1.089 0.020 . 1 . . . . . 26 LYS HG3 . 51399 1 278 . 1 . 1 26 26 LYS HD2 H 1 1.714 0.020 . 2 . . . . . 26 LYS HD2 . 51399 1 279 . 1 . 1 26 26 LYS HD3 H 1 1.675 0.020 . 2 . . . . . 26 LYS HD3 . 51399 1 280 . 1 . 1 26 26 LYS HE2 H 1 2.785 0.020 . 1 . . . . . 26 LYS HE2 . 51399 1 281 . 1 . 1 26 26 LYS HE3 H 1 2.785 0.020 . 1 . . . . . 26 LYS HE3 . 51399 1 282 . 1 . 1 26 26 LYS C C 13 175.047 0.3 . 1 . . . . . 26 LYS C . 51399 1 283 . 1 . 1 26 26 LYS CA C 13 54.291 0.3 . 1 . . . . . 26 LYS CA . 51399 1 284 . 1 . 1 26 26 LYS CB C 13 30.301 0.3 . 1 . . . . . 26 LYS CB . 51399 1 285 . 1 . 1 26 26 LYS CG C 13 24.603 0.3 . 1 . . . . . 26 LYS CG . 51399 1 286 . 1 . 1 26 26 LYS CD C 13 29.609 0.3 . 1 . . . . . 26 LYS CD . 51399 1 287 . 1 . 1 26 26 LYS CE C 13 41.507 0.3 . 1 . . . . . 26 LYS CE . 51399 1 288 . 1 . 1 26 26 LYS N N 15 129.145 0.3 . 1 . . . . . 26 LYS N . 51399 1 289 . 1 . 1 27 27 GLU H H 1 7.948 0.020 . 1 . . . . . 27 GLU H . 51399 1 290 . 1 . 1 27 27 GLU HA H 1 4.164 0.020 . 1 . . . . . 27 GLU HA . 51399 1 291 . 1 . 1 27 27 GLU HB2 H 1 1.766 0.020 . 1 . . . . . 27 GLU HB2 . 51399 1 292 . 1 . 1 27 27 GLU HB3 H 1 1.766 0.020 . 1 . . . . . 27 GLU HB3 . 51399 1 293 . 1 . 1 27 27 GLU HG2 H 1 2.438 0.020 . 2 . . . . . 27 GLU HG2 . 51399 1 294 . 1 . 1 27 27 GLU HG3 H 1 2.199 0.020 . 2 . . . . . 27 GLU HG3 . 51399 1 295 . 1 . 1 27 27 GLU C C 13 173.447 0.3 . 1 . . . . . 27 GLU C . 51399 1 296 . 1 . 1 27 27 GLU CA C 13 54.629 0.3 . 1 . . . . . 27 GLU CA . 51399 1 297 . 1 . 1 27 27 GLU CB C 13 33.156 0.3 . 1 . . . . . 27 GLU CB . 51399 1 298 . 1 . 1 27 27 GLU CG C 13 35.978 0.3 . 1 . . . . . 27 GLU CG . 51399 1 299 . 1 . 1 27 27 GLU N N 15 123.533 0.3 . 1 . . . . . 27 GLU N . 51399 1 300 . 1 . 1 28 28 GLY H H 1 8.666 0.020 . 1 . . . . . 28 GLY H . 51399 1 301 . 1 . 1 28 28 GLY HA2 H 1 4.430 0.020 . 2 . . . . . 28 GLY HA1 . 51399 1 302 . 1 . 1 28 28 GLY HA3 H 1 3.717 0.020 . 2 . . . . . 28 GLY HA2 . 51399 1 303 . 1 . 1 28 28 GLY C C 13 176.555 0.3 . 1 . . . . . 28 GLY C . 51399 1 304 . 1 . 1 28 28 GLY CA C 13 44.528 0.3 . 1 . . . . . 28 GLY CA . 51399 1 305 . 1 . 1 28 28 GLY N N 15 104.605 0.3 . 1 . . . . . 28 GLY N . 51399 1 306 . 1 . 1 29 29 VAL H H 1 10.623 0.020 . 1 . . . . . 29 VAL H . 51399 1 307 . 1 . 1 29 29 VAL HA H 1 3.842 0.020 . 1 . . . . . 29 VAL HA . 51399 1 308 . 1 . 1 29 29 VAL HB H 1 1.949 0.020 . 1 . . . . . 29 VAL HB . 51399 1 309 . 1 . 1 29 29 VAL HG11 H 1 1.000 0.020 . 1 . . . . . 29 VAL HG1 . 51399 1 310 . 1 . 1 29 29 VAL HG12 H 1 1.000 0.020 . 1 . . . . . 29 VAL HG1 . 51399 1 311 . 1 . 1 29 29 VAL HG13 H 1 1.000 0.020 . 1 . . . . . 29 VAL HG1 . 51399 1 312 . 1 . 1 29 29 VAL HG21 H 1 0.862 0.020 . 1 . . . . . 29 VAL HG2 . 51399 1 313 . 1 . 1 29 29 VAL HG22 H 1 0.862 0.020 . 1 . . . . . 29 VAL HG2 . 51399 1 314 . 1 . 1 29 29 VAL HG23 H 1 0.862 0.020 . 1 . . . . . 29 VAL HG2 . 51399 1 315 . 1 . 1 29 29 VAL C C 13 174.999 0.3 . 1 . . . . . 29 VAL C . 51399 1 316 . 1 . 1 29 29 VAL CA C 13 64.215 0.3 . 1 . . . . . 29 VAL CA . 51399 1 317 . 1 . 1 29 29 VAL CB C 13 31.951 0.3 . 1 . . . . . 29 VAL CB . 51399 1 318 . 1 . 1 29 29 VAL CG1 C 13 22.218 0.3 . 1 . . . . . 29 VAL CG1 . 51399 1 319 . 1 . 1 29 29 VAL CG2 C 13 20.342 0.3 . 1 . . . . . 29 VAL CG2 . 51399 1 320 . 1 . 1 29 29 VAL N N 15 125.526 0.3 . 1 . . . . . 29 VAL N . 51399 1 321 . 1 . 1 30 30 GLN H H 1 10.167 0.020 . 1 . . . . . 30 GLN H . 51399 1 322 . 1 . 1 30 30 GLN HA H 1 4.236 0.020 . 1 . . . . . 30 GLN HA . 51399 1 323 . 1 . 1 30 30 GLN HB2 H 1 1.972 0.020 . 1 . . . . . 30 GLN HB2 . 51399 1 324 . 1 . 1 30 30 GLN HB3 H 1 1.972 0.020 . 1 . . . . . 30 GLN HB3 . 51399 1 325 . 1 . 1 30 30 GLN HG2 H 1 2.651 0.020 . 1 . . . . . 30 GLN HG2 . 51399 1 326 . 1 . 1 30 30 GLN HG3 H 1 2.651 0.020 . 1 . . . . . 30 GLN HG3 . 51399 1 327 . 1 . 1 30 30 GLN C C 13 175.286 0.3 . 1 . . . . . 30 GLN C . 51399 1 328 . 1 . 1 30 30 GLN CA C 13 57.265 0.3 . 1 . . . . . 30 GLN CA . 51399 1 329 . 1 . 1 30 30 GLN CB C 13 26.362 0.3 . 1 . . . . . 30 GLN CB . 51399 1 330 . 1 . 1 30 30 GLN CG C 13 31.944 0.3 . 1 . . . . . 30 GLN CG . 51399 1 331 . 1 . 1 30 30 GLN N N 15 120.385 0.3 . 1 . . . . . 30 GLN N . 51399 1 332 . 1 . 1 31 31 ASN H H 1 8.141 0.020 . 1 . . . . . 31 ASN H . 51399 1 333 . 1 . 1 31 31 ASN HA H 1 4.965 0.020 . 1 . . . . . 31 ASN HA . 51399 1 334 . 1 . 1 31 31 ASN HB2 H 1 2.996 0.020 . 2 . . . . . 31 ASN HB2 . 51399 1 335 . 1 . 1 31 31 ASN HB3 H 1 2.612 0.020 . 2 . . . . . 31 ASN HB3 . 51399 1 336 . 1 . 1 31 31 ASN C C 13 175.011 0.3 . 1 . . . . . 31 ASN C . 51399 1 337 . 1 . 1 31 31 ASN CA C 13 52.003 0.3 . 1 . . . . . 31 ASN CA . 51399 1 338 . 1 . 1 31 31 ASN CB C 13 38.979 0.3 . 1 . . . . . 31 ASN CB . 51399 1 339 . 1 . 1 31 31 ASN N N 15 119.016 0.3 . 1 . . . . . 31 ASN N . 51399 1 340 . 1 . 1 32 32 ALA H H 1 7.592 0.020 . 1 . . . . . 32 ALA H . 51399 1 341 . 1 . 1 32 32 ALA HA H 1 4.028 0.020 . 1 . . . . . 32 ALA HA . 51399 1 342 . 1 . 1 32 32 ALA HB1 H 1 1.334 0.020 . 1 . . . . . 32 ALA HB . 51399 1 343 . 1 . 1 32 32 ALA HB2 H 1 1.334 0.020 . 1 . . . . . 32 ALA HB . 51399 1 344 . 1 . 1 32 32 ALA HB3 H 1 1.334 0.020 . 1 . . . . . 32 ALA HB . 51399 1 345 . 1 . 1 32 32 ALA C C 13 177.244 0.3 . 1 . . . . . 32 ALA C . 51399 1 346 . 1 . 1 32 32 ALA CA C 13 53.372 0.3 . 1 . . . . . 32 ALA CA . 51399 1 347 . 1 . 1 32 32 ALA CB C 13 19.557 0.3 . 1 . . . . . 32 ALA CB . 51399 1 348 . 1 . 1 32 32 ALA N N 15 123.639 0.3 . 1 . . . . . 32 ALA N . 51399 1 349 . 1 . 1 33 33 LYS H H 1 8.812 0.020 . 1 . . . . . 33 LYS H . 51399 1 350 . 1 . 1 33 33 LYS HA H 1 4.535 0.020 . 1 . . . . . 33 LYS HA . 51399 1 351 . 1 . 1 33 33 LYS HB2 H 1 1.975 0.020 . 2 . . . . . 33 LYS HB2 . 51399 1 352 . 1 . 1 33 33 LYS HB3 H 1 1.547 0.020 . 2 . . . . . 33 LYS HB3 . 51399 1 353 . 1 . 1 33 33 LYS HG2 H 1 1.436 0.020 . 2 . . . . . 33 LYS HG2 . 51399 1 354 . 1 . 1 33 33 LYS HG3 H 1 1.351 0.020 . 2 . . . . . 33 LYS HG3 . 51399 1 355 . 1 . 1 33 33 LYS HD2 H 1 1.646 0.020 . 1 . . . . . 33 LYS HD2 . 51399 1 356 . 1 . 1 33 33 LYS HD3 H 1 1.646 0.020 . 1 . . . . . 33 LYS HD3 . 51399 1 357 . 1 . 1 33 33 LYS HE2 H 1 2.976 0.020 . 1 . . . . . 33 LYS HE2 . 51399 1 358 . 1 . 1 33 33 LYS HE3 H 1 2.976 0.020 . 1 . . . . . 33 LYS HE3 . 51399 1 359 . 1 . 1 33 33 LYS C C 13 176.826 0.3 . 1 . . . . . 33 LYS C . 51399 1 360 . 1 . 1 33 33 LYS CA C 13 54.289 0.3 . 1 . . . . . 33 LYS CA . 51399 1 361 . 1 . 1 33 33 LYS CB C 13 32.016 0.3 . 1 . . . . . 33 LYS CB . 51399 1 362 . 1 . 1 33 33 LYS CG C 13 24.728 0.3 . 1 . . . . . 33 LYS CG . 51399 1 363 . 1 . 1 33 33 LYS CD C 13 29.092 0.3 . 1 . . . . . 33 LYS CD . 51399 1 364 . 1 . 1 33 33 LYS CE C 13 42.205 0.3 . 1 . . . . . 33 LYS CE . 51399 1 365 . 1 . 1 33 33 LYS N N 15 120.285 0.3 . 1 . . . . . 33 LYS N . 51399 1 366 . 1 . 1 34 34 THR H H 1 6.606 0.020 . 1 . . . . . 34 THR H . 51399 1 367 . 1 . 1 34 34 THR HA H 1 4.066 0.020 . 1 . . . . . 34 THR HA . 51399 1 368 . 1 . 1 34 34 THR HB H 1 3.771 0.020 . 1 . . . . . 34 THR HB . 51399 1 369 . 1 . 1 34 34 THR HG21 H 1 0.329 0.020 . 1 . . . . . 34 THR HG2 . 51399 1 370 . 1 . 1 34 34 THR HG22 H 1 0.329 0.020 . 1 . . . . . 34 THR HG2 . 51399 1 371 . 1 . 1 34 34 THR HG23 H 1 0.329 0.020 . 1 . . . . . 34 THR HG2 . 51399 1 372 . 1 . 1 34 34 THR C C 13 173.184 0.3 . 1 . . . . . 34 THR C . 51399 1 373 . 1 . 1 34 34 THR CA C 13 60.023 0.3 . 1 . . . . . 34 THR CA . 51399 1 374 . 1 . 1 34 34 THR CB C 13 70.057 0.3 . 1 . . . . . 34 THR CB . 51399 1 375 . 1 . 1 34 34 THR CG2 C 13 21.294 0.3 . 1 . . . . . 34 THR CG2 . 51399 1 376 . 1 . 1 34 34 THR N N 15 108.628 0.3 . 1 . . . . . 34 THR N . 51399 1 377 . 1 . 1 35 35 ASP H H 1 8.166 0.020 . 1 . . . . . 35 ASP H . 51399 1 378 . 1 . 1 35 35 ASP HA H 1 3.846 0.020 . 1 . . . . . 35 ASP HA . 51399 1 379 . 1 . 1 35 35 ASP HB2 H 1 2.052 0.020 . 1 . . . . . 35 ASP HB2 . 51399 1 380 . 1 . 1 35 35 ASP HB3 H 1 2.052 0.020 . 1 . . . . . 35 ASP HB3 . 51399 1 381 . 1 . 1 35 35 ASP C C 13 177.770 0.3 . 1 . . . . . 35 ASP C . 51399 1 382 . 1 . 1 35 35 ASP CA C 13 57.955 0.3 . 1 . . . . . 35 ASP CA . 51399 1 383 . 1 . 1 35 35 ASP CB C 13 41.436 0.3 . 1 . . . . . 35 ASP CB . 51399 1 384 . 1 . 1 35 35 ASP N N 15 117.544 0.3 . 1 . . . . . 35 ASP N . 51399 1 385 . 1 . 1 36 36 VAL H H 1 7.663 0.020 . 1 . . . . . 36 VAL H . 51399 1 386 . 1 . 1 36 36 VAL HA H 1 5.159 0.020 . 1 . . . . . 36 VAL HA . 51399 1 387 . 1 . 1 36 36 VAL HB H 1 1.686 0.020 . 1 . . . . . 36 VAL HB . 51399 1 388 . 1 . 1 36 36 VAL HG11 H 1 0.976 0.020 . 1 . . . . . 36 VAL HG1 . 51399 1 389 . 1 . 1 36 36 VAL HG12 H 1 0.976 0.020 . 1 . . . . . 36 VAL HG1 . 51399 1 390 . 1 . 1 36 36 VAL HG13 H 1 0.976 0.020 . 1 . . . . . 36 VAL HG1 . 51399 1 391 . 1 . 1 36 36 VAL HG21 H 1 0.664 0.020 . 1 . . . . . 36 VAL HG2 . 51399 1 392 . 1 . 1 36 36 VAL HG22 H 1 0.664 0.020 . 1 . . . . . 36 VAL HG2 . 51399 1 393 . 1 . 1 36 36 VAL HG23 H 1 0.664 0.020 . 1 . . . . . 36 VAL HG2 . 51399 1 394 . 1 . 1 36 36 VAL C C 13 175.978 0.3 . 1 . . . . . 36 VAL C . 51399 1 395 . 1 . 1 36 36 VAL CA C 13 60.190 0.3 . 1 . . . . . 36 VAL CA . 51399 1 396 . 1 . 1 36 36 VAL CB C 13 35.339 0.3 . 1 . . . . . 36 VAL CB . 51399 1 397 . 1 . 1 36 36 VAL CG1 C 13 23.501 0.3 . 1 . . . . . 36 VAL CG1 . 51399 1 398 . 1 . 1 36 36 VAL CG2 C 13 21.898 0.3 . 1 . . . . . 36 VAL CG2 . 51399 1 399 . 1 . 1 36 36 VAL N N 15 117.356 0.3 . 1 . . . . . 36 VAL N . 51399 1 400 . 1 . 1 37 37 VAL H H 1 8.176 0.020 . 1 . . . . . 37 VAL H . 51399 1 401 . 1 . 1 37 37 VAL HA H 1 4.673 0.020 . 1 . . . . . 37 VAL HA . 51399 1 402 . 1 . 1 37 37 VAL HB H 1 1.851 0.020 . 1 . . . . . 37 VAL HB . 51399 1 403 . 1 . 1 37 37 VAL HG11 H 1 0.800 0.020 . 1 . . . . . 37 VAL HG1 . 51399 1 404 . 1 . 1 37 37 VAL HG12 H 1 0.800 0.020 . 1 . . . . . 37 VAL HG1 . 51399 1 405 . 1 . 1 37 37 VAL HG13 H 1 0.800 0.020 . 1 . . . . . 37 VAL HG1 . 51399 1 406 . 1 . 1 37 37 VAL HG21 H 1 0.750 0.020 . 1 . . . . . 37 VAL HG2 . 51399 1 407 . 1 . 1 37 37 VAL HG22 H 1 0.750 0.020 . 1 . . . . . 37 VAL HG2 . 51399 1 408 . 1 . 1 37 37 VAL HG23 H 1 0.750 0.020 . 1 . . . . . 37 VAL HG2 . 51399 1 409 . 1 . 1 37 37 VAL C C 13 172.109 0.3 . 1 . . . . . 37 VAL C . 51399 1 410 . 1 . 1 37 37 VAL CA C 13 60.529 0.3 . 1 . . . . . 37 VAL CA . 51399 1 411 . 1 . 1 37 37 VAL CB C 13 35.643 0.3 . 1 . . . . . 37 VAL CB . 51399 1 412 . 1 . 1 37 37 VAL CG1 C 13 23.157 0.3 . 1 . . . . . 37 VAL CG1 . 51399 1 413 . 1 . 1 37 37 VAL CG2 C 13 21.896 0.3 . 1 . . . . . 37 VAL CG2 . 51399 1 414 . 1 . 1 37 37 VAL N N 15 128.682 0.3 . 1 . . . . . 37 VAL N . 51399 1 415 . 1 . 1 38 38 VAL H H 1 7.362 0.020 . 1 . . . . . 38 VAL H . 51399 1 416 . 1 . 1 38 38 VAL HA H 1 4.184 0.020 . 1 . . . . . 38 VAL HA . 51399 1 417 . 1 . 1 38 38 VAL HB H 1 1.907 0.020 . 1 . . . . . 38 VAL HB . 51399 1 418 . 1 . 1 38 38 VAL HG11 H 1 0.851 0.020 . 1 . . . . . 38 VAL HG1 . 51399 1 419 . 1 . 1 38 38 VAL HG12 H 1 0.851 0.020 . 1 . . . . . 38 VAL HG1 . 51399 1 420 . 1 . 1 38 38 VAL HG13 H 1 0.851 0.020 . 1 . . . . . 38 VAL HG1 . 51399 1 421 . 1 . 1 38 38 VAL HG21 H 1 0.704 0.020 . 1 . . . . . 38 VAL HG2 . 51399 1 422 . 1 . 1 38 38 VAL HG22 H 1 0.704 0.020 . 1 . . . . . 38 VAL HG2 . 51399 1 423 . 1 . 1 38 38 VAL HG23 H 1 0.704 0.020 . 1 . . . . . 38 VAL HG2 . 51399 1 424 . 1 . 1 38 38 VAL C C 13 171.323 0.3 . 1 . . . . . 38 VAL C . 51399 1 425 . 1 . 1 38 38 VAL CA C 13 61.813 0.3 . 1 . . . . . 38 VAL CA . 51399 1 426 . 1 . 1 38 38 VAL CB C 13 33.758 0.3 . 1 . . . . . 38 VAL CB . 51399 1 427 . 1 . 1 38 38 VAL CG1 C 13 21.305 0.3 . 1 . . . . . 38 VAL CG1 . 51399 1 428 . 1 . 1 38 38 VAL CG2 C 13 20.342 0.3 . 1 . . . . . 38 VAL CG2 . 51399 1 429 . 1 . 1 38 38 VAL N N 15 126.732 0.3 . 1 . . . . . 38 VAL N . 51399 1 430 . 1 . 1 39 39 ASN H H 1 8.968 0.020 . 1 . . . . . 39 ASN H . 51399 1 431 . 1 . 1 39 39 ASN HA H 1 4.862 0.020 . 1 . . . . . 39 ASN HA . 51399 1 432 . 1 . 1 39 39 ASN HB2 H 1 2.325 0.020 . 2 . . . . . 39 ASN HB2 . 51399 1 433 . 1 . 1 39 39 ASN HB3 H 1 1.835 0.020 . 2 . . . . . 39 ASN HB3 . 51399 1 434 . 1 . 1 39 39 ASN C C 13 174.402 0.3 . 1 . . . . . 39 ASN C . 51399 1 435 . 1 . 1 39 39 ASN CA C 13 49.555 0.3 . 1 . . . . . 39 ASN CA . 51399 1 436 . 1 . 1 39 39 ASN CB C 13 43.521 0.3 . 1 . . . . . 39 ASN CB . 51399 1 437 . 1 . 1 39 39 ASN N N 15 120.471 0.3 . 1 . . . . . 39 ASN N . 51399 1 438 . 1 . 1 40 40 SER H H 1 7.056 0.020 . 1 . . . . . 40 SER H . 51399 1 439 . 1 . 1 40 40 SER HA H 1 5.356 0.020 . 1 . . . . . 40 SER HA . 51399 1 440 . 1 . 1 40 40 SER HB2 H 1 3.813 0.020 . 1 . . . . . 40 SER HB2 . 51399 1 441 . 1 . 1 40 40 SER HB3 H 1 3.813 0.020 . 1 . . . . . 40 SER HB3 . 51399 1 442 . 1 . 1 40 40 SER C C 13 173.721 0.3 . 1 . . . . . 40 SER C . 51399 1 443 . 1 . 1 40 40 SER CA C 13 55.326 0.3 . 1 . . . . . 40 SER CA . 51399 1 444 . 1 . 1 40 40 SER CB C 13 65.258 0.3 . 1 . . . . . 40 SER CB . 51399 1 445 . 1 . 1 40 40 SER N N 15 118.691 0.3 . 1 . . . . . 40 SER N . 51399 1 446 . 1 . 1 41 41 VAL H H 1 8.969 0.020 . 1 . . . . . 41 VAL H . 51399 1 447 . 1 . 1 41 41 VAL HA H 1 4.732 0.020 . 1 . . . . . 41 VAL HA . 51399 1 448 . 1 . 1 41 41 VAL HB H 1 1.876 0.020 . 1 . . . . . 41 VAL HB . 51399 1 449 . 1 . 1 41 41 VAL HG11 H 1 0.804 0.020 . 1 . . . . . 41 VAL HG1 . 51399 1 450 . 1 . 1 41 41 VAL HG12 H 1 0.804 0.020 . 1 . . . . . 41 VAL HG1 . 51399 1 451 . 1 . 1 41 41 VAL HG13 H 1 0.804 0.020 . 1 . . . . . 41 VAL HG1 . 51399 1 452 . 1 . 1 41 41 VAL HG21 H 1 0.966 0.020 . 1 . . . . . 41 VAL HG2 . 51399 1 453 . 1 . 1 41 41 VAL HG22 H 1 0.966 0.020 . 1 . . . . . 41 VAL HG2 . 51399 1 454 . 1 . 1 41 41 VAL HG23 H 1 0.966 0.020 . 1 . . . . . 41 VAL HG2 . 51399 1 455 . 1 . 1 41 41 VAL CA C 13 57.406 0.3 . 1 . . . . . 41 VAL CA . 51399 1 456 . 1 . 1 41 41 VAL CB C 13 32.825 0.3 . 1 . . . . . 41 VAL CB . 51399 1 457 . 1 . 1 41 41 VAL CG1 C 13 22.227 0.3 . 1 . . . . . 41 VAL CG1 . 51399 1 458 . 1 . 1 41 41 VAL CG2 C 13 19.418 0.3 . 1 . . . . . 41 VAL CG2 . 51399 1 459 . 1 . 1 41 41 VAL N N 15 118.108 0.3 . 1 . . . . . 41 VAL N . 51399 1 460 . 1 . 1 42 42 PRO HA H 1 5.868 0.020 . 1 . . . . . 42 PRO HA . 51399 1 461 . 1 . 1 42 42 PRO HB2 H 1 1.913 0.020 . 1 . . . . . 42 PRO HB2 . 51399 1 462 . 1 . 1 42 42 PRO HB3 H 1 1.913 0.020 . 1 . . . . . 42 PRO HB3 . 51399 1 463 . 1 . 1 42 42 PRO HG2 H 1 2.194 0.020 . 1 . . . . . 42 PRO HG2 . 51399 1 464 . 1 . 1 42 42 PRO HG3 H 1 2.194 0.020 . 1 . . . . . 42 PRO HG3 . 51399 1 465 . 1 . 1 42 42 PRO HD2 H 1 3.738 0.020 . 1 . . . . . 42 PRO HD2 . 51399 1 466 . 1 . 1 42 42 PRO HD3 H 1 3.738 0.020 . 1 . . . . . 42 PRO HD3 . 51399 1 467 . 1 . 1 42 42 PRO C C 13 177.674 0.3 . 1 . . . . . 42 PRO C . 51399 1 468 . 1 . 1 42 42 PRO CA C 13 61.915 0.3 . 1 . . . . . 42 PRO CA . 51399 1 469 . 1 . 1 42 42 PRO CB C 13 33.286 0.3 . 1 . . . . . 42 PRO CB . 51399 1 470 . 1 . 1 42 42 PRO CG C 13 27.854 0.3 . 1 . . . . . 42 PRO CG . 51399 1 471 . 1 . 1 42 42 PRO CD C 13 51.275 0.3 . 1 . . . . . 42 PRO CD . 51399 1 472 . 1 . 1 43 43 LEU H H 1 8.407 0.020 . 1 . . . . . 43 LEU H . 51399 1 473 . 1 . 1 43 43 LEU HA H 1 3.776 0.020 . 1 . . . . . 43 LEU HA . 51399 1 474 . 1 . 1 43 43 LEU HB2 H 1 1.598 0.020 . 2 . . . . . 43 LEU HB2 . 51399 1 475 . 1 . 1 43 43 LEU HB3 H 1 1.520 0.020 . 2 . . . . . 43 LEU HB3 . 51399 1 476 . 1 . 1 43 43 LEU HG H 1 1.660 0.020 . 1 . . . . . 43 LEU HG . 51399 1 477 . 1 . 1 43 43 LEU HD11 H 1 0.898 0.020 . 2 . . . . . 43 LEU HD1 . 51399 1 478 . 1 . 1 43 43 LEU HD12 H 1 0.898 0.020 . 2 . . . . . 43 LEU HD1 . 51399 1 479 . 1 . 1 43 43 LEU HD13 H 1 0.898 0.020 . 2 . . . . . 43 LEU HD1 . 51399 1 480 . 1 . 1 43 43 LEU HD21 H 1 0.859 0.020 . 1 . . . . . 43 LEU HD2 . 51399 1 481 . 1 . 1 43 43 LEU HD22 H 1 0.859 0.020 . 1 . . . . . 43 LEU HD2 . 51399 1 482 . 1 . 1 43 43 LEU HD23 H 1 0.859 0.020 . 1 . . . . . 43 LEU HD2 . 51399 1 483 . 1 . 1 43 43 LEU C C 13 176.265 0.3 . 1 . . . . . 43 LEU C . 51399 1 484 . 1 . 1 43 43 LEU CA C 13 57.783 0.3 . 1 . . . . . 43 LEU CA . 51399 1 485 . 1 . 1 43 43 LEU CB C 13 43.016 0.3 . 1 . . . . . 43 LEU CB . 51399 1 486 . 1 . 1 43 43 LEU CG C 13 26.904 0.3 . 1 . . . . . 43 LEU CG . 51399 1 487 . 1 . 1 43 43 LEU CD1 C 13 25.321 0.3 . 1 . . . . . 43 LEU CD1 . 51399 1 488 . 1 . 1 43 43 LEU CD2 C 13 25.037 0.3 . 1 . . . . . 43 LEU CD2 . 51399 1 489 . 1 . 1 43 43 LEU N N 15 118.611 0.3 . 1 . . . . . 43 LEU N . 51399 1 490 . 1 . 1 44 44 ASP H H 1 7.597 0.020 . 1 . . . . . 44 ASP H . 51399 1 491 . 1 . 1 44 44 ASP HA H 1 4.359 0.020 . 1 . . . . . 44 ASP HA . 51399 1 492 . 1 . 1 44 44 ASP HB2 H 1 3.041 0.020 . 2 . . . . . 44 ASP HB2 . 51399 1 493 . 1 . 1 44 44 ASP HB3 H 1 2.509 0.020 . 2 . . . . . 44 ASP HB3 . 51399 1 494 . 1 . 1 44 44 ASP C C 13 176.719 0.3 . 1 . . . . . 44 ASP C . 51399 1 495 . 1 . 1 44 44 ASP CA C 13 52.620 0.3 . 1 . . . . . 44 ASP CA . 51399 1 496 . 1 . 1 44 44 ASP CB C 13 39.083 0.3 . 1 . . . . . 44 ASP CB . 51399 1 497 . 1 . 1 44 44 ASP N N 15 110.735 0.3 . 1 . . . . . 44 ASP N . 51399 1 498 . 1 . 1 45 45 LEU H H 1 8.168 0.020 . 1 . . . . . 45 LEU H . 51399 1 499 . 1 . 1 45 45 LEU HA H 1 3.460 0.020 . 1 . . . . . 45 LEU HA . 51399 1 500 . 1 . 1 45 45 LEU HB2 H 1 2.075 0.020 . 2 . . . . . 45 LEU HB2 . 51399 1 501 . 1 . 1 45 45 LEU HB3 H 1 1.401 0.020 . 2 . . . . . 45 LEU HB3 . 51399 1 502 . 1 . 1 45 45 LEU HG H 1 1.422 0.020 . 1 . . . . . 45 LEU HG . 51399 1 503 . 1 . 1 45 45 LEU HD11 H 1 0.678 0.020 . 2 . . . . . 45 LEU HD1 . 51399 1 504 . 1 . 1 45 45 LEU HD12 H 1 0.678 0.020 . 2 . . . . . 45 LEU HD1 . 51399 1 505 . 1 . 1 45 45 LEU HD13 H 1 0.678 0.020 . 2 . . . . . 45 LEU HD1 . 51399 1 506 . 1 . 1 45 45 LEU HD21 H 1 0.670 0.020 . 2 . . . . . 45 LEU HD2 . 51399 1 507 . 1 . 1 45 45 LEU HD22 H 1 0.670 0.020 . 2 . . . . . 45 LEU HD2 . 51399 1 508 . 1 . 1 45 45 LEU HD23 H 1 0.670 0.020 . 2 . . . . . 45 LEU HD2 . 51399 1 509 . 1 . 1 45 45 LEU C C 13 173.924 0.3 . 1 . . . . . 45 LEU C . 51399 1 510 . 1 . 1 45 45 LEU CA C 13 55.900 0.3 . 1 . . . . . 45 LEU CA . 51399 1 511 . 1 . 1 45 45 LEU CB C 13 37.388 0.3 . 1 . . . . . 45 LEU CB . 51399 1 512 . 1 . 1 45 45 LEU CG C 13 25.944 0.3 . 1 . . . . . 45 LEU CG . 51399 1 513 . 1 . 1 45 45 LEU CD1 C 13 22.205 0.3 . 1 . . . . . 45 LEU CD1 . 51399 1 514 . 1 . 1 45 45 LEU CD2 C 13 21.927 0.3 . 1 . . . . . 45 LEU CD2 . 51399 1 515 . 1 . 1 45 45 LEU N N 15 111.578 0.3 . 1 . . . . . 45 LEU N . 51399 1 516 . 1 . 1 46 46 VAL H H 1 7.027 0.020 . 1 . . . . . 46 VAL H . 51399 1 517 . 1 . 1 46 46 VAL HA H 1 3.716 0.020 . 1 . . . . . 46 VAL HA . 51399 1 518 . 1 . 1 46 46 VAL HB H 1 2.265 0.020 . 1 . . . . . 46 VAL HB . 51399 1 519 . 1 . 1 46 46 VAL HG11 H 1 0.893 0.020 . 1 . . . . . 46 VAL HG1 . 51399 1 520 . 1 . 1 46 46 VAL HG12 H 1 0.893 0.020 . 1 . . . . . 46 VAL HG1 . 51399 1 521 . 1 . 1 46 46 VAL HG13 H 1 0.893 0.020 . 1 . . . . . 46 VAL HG1 . 51399 1 522 . 1 . 1 46 46 VAL HG21 H 1 0.796 0.020 . 1 . . . . . 46 VAL HG2 . 51399 1 523 . 1 . 1 46 46 VAL HG22 H 1 0.796 0.020 . 1 . . . . . 46 VAL HG2 . 51399 1 524 . 1 . 1 46 46 VAL HG23 H 1 0.796 0.020 . 1 . . . . . 46 VAL HG2 . 51399 1 525 . 1 . 1 46 46 VAL CA C 13 64.459 0.3 . 1 . . . . . 46 VAL CA . 51399 1 526 . 1 . 1 46 46 VAL CB C 13 31.477 0.3 . 1 . . . . . 46 VAL CB . 51399 1 527 . 1 . 1 46 46 VAL CG1 C 13 22.211 0.3 . 1 . . . . . 46 VAL CG1 . 51399 1 528 . 1 . 1 46 46 VAL CG2 C 13 21.904 0.3 . 1 . . . . . 46 VAL CG2 . 51399 1 529 . 1 . 1 46 46 VAL N N 15 119.692 0.3 . 1 . . . . . 46 VAL N . 51399 1 530 . 1 . 1 49 49 ARG HA H 1 4.197 0.020 . 1 . . . . . 49 ARG HA . 51399 1 531 . 1 . 1 49 49 ARG HB2 H 1 1.502 0.020 . 1 . . . . . 49 ARG HB2 . 51399 1 532 . 1 . 1 49 49 ARG HB3 H 1 1.502 0.020 . 1 . . . . . 49 ARG HB3 . 51399 1 533 . 1 . 1 49 49 ARG HG2 H 1 0.832 0.020 . 1 . . . . . 49 ARG HG2 . 51399 1 534 . 1 . 1 49 49 ARG HG3 H 1 0.832 0.020 . 1 . . . . . 49 ARG HG3 . 51399 1 535 . 1 . 1 49 49 ARG HD2 H 1 2.039 0.020 . 1 . . . . . 49 ARG HD2 . 51399 1 536 . 1 . 1 49 49 ARG HD3 H 1 2.039 0.020 . 1 . . . . . 49 ARG HD3 . 51399 1 537 . 1 . 1 49 49 ARG C C 13 177.817 0.3 . 1 . . . . . 49 ARG C . 51399 1 538 . 1 . 1 49 49 ARG CA C 13 57.394 0.3 . 1 . . . . . 49 ARG CA . 51399 1 539 . 1 . 1 49 49 ARG CB C 13 26.261 0.3 . 1 . . . . . 49 ARG CB . 51399 1 540 . 1 . 1 49 49 ARG CG C 13 23.469 0.3 . 1 . . . . . 49 ARG CG . 51399 1 541 . 1 . 1 49 49 ARG CD C 13 41.583 0.3 . 1 . . . . . 49 ARG CD . 51399 1 542 . 1 . 1 50 50 GLY H H 1 9.722 0.020 . 1 . . . . . 50 GLY H . 51399 1 543 . 1 . 1 50 50 GLY HA2 H 1 3.330 0.020 . 1 . . . . . 50 GLY HA1 . 51399 1 544 . 1 . 1 50 50 GLY HA3 H 1 3.330 0.020 . 1 . . . . . 50 GLY HA2 . 51399 1 545 . 1 . 1 50 50 GLY CA C 13 44.743 0.3 . 1 . . . . . 50 GLY CA . 51399 1 546 . 1 . 1 50 50 GLY N N 15 114.189 0.3 . 1 . . . . . 50 GLY N . 51399 1 547 . 1 . 1 54 54 LYS HA H 1 3.979 0.020 . 1 . . . . . 54 LYS HA . 51399 1 548 . 1 . 1 54 54 LYS HB2 H 1 1.790 0.020 . 1 . . . . . 54 LYS HB2 . 51399 1 549 . 1 . 1 54 54 LYS HB3 H 1 1.790 0.020 . 1 . . . . . 54 LYS HB3 . 51399 1 550 . 1 . 1 54 54 LYS HG2 H 1 1.484 0.020 . 1 . . . . . 54 LYS HG2 . 51399 1 551 . 1 . 1 54 54 LYS HG3 H 1 1.484 0.020 . 1 . . . . . 54 LYS HG3 . 51399 1 552 . 1 . 1 54 54 LYS HD2 H 1 1.518 0.020 . 1 . . . . . 54 LYS HD2 . 51399 1 553 . 1 . 1 54 54 LYS HD3 H 1 1.518 0.020 . 1 . . . . . 54 LYS HD3 . 51399 1 554 . 1 . 1 54 54 LYS HE2 H 1 2.921 0.020 . 1 . . . . . 54 LYS HE2 . 51399 1 555 . 1 . 1 54 54 LYS HE3 H 1 2.921 0.020 . 1 . . . . . 54 LYS HE3 . 51399 1 556 . 1 . 1 54 54 LYS C C 13 179.250 0.3 . 1 . . . . . 54 LYS C . 51399 1 557 . 1 . 1 54 54 LYS CA C 13 59.934 0.3 . 1 . . . . . 54 LYS CA . 51399 1 558 . 1 . 1 54 54 LYS CB C 13 32.669 0.3 . 1 . . . . . 54 LYS CB . 51399 1 559 . 1 . 1 54 54 LYS CG C 13 25.364 0.3 . 1 . . . . . 54 LYS CG . 51399 1 560 . 1 . 1 54 54 LYS CD C 13 29.461 0.3 . 1 . . . . . 54 LYS CD . 51399 1 561 . 1 . 1 54 54 LYS CE C 13 41.815 0.3 . 1 . . . . . 54 LYS CE . 51399 1 562 . 1 . 1 55 55 SER H H 1 7.835 0.020 . 1 . . . . . 55 SER H . 51399 1 563 . 1 . 1 55 55 SER HA H 1 4.276 0.020 . 1 . . . . . 55 SER HA . 51399 1 564 . 1 . 1 55 55 SER HB2 H 1 3.838 0.020 . 1 . . . . . 55 SER HB2 . 51399 1 565 . 1 . 1 55 55 SER HB3 H 1 3.838 0.020 . 1 . . . . . 55 SER HB3 . 51399 1 566 . 1 . 1 55 55 SER C C 13 176.969 0.3 . 1 . . . . . 55 SER C . 51399 1 567 . 1 . 1 55 55 SER CA C 13 62.189 0.3 . 1 . . . . . 55 SER CA . 51399 1 568 . 1 . 1 55 55 SER CB C 13 63.051 0.3 . 1 . . . . . 55 SER CB . 51399 1 569 . 1 . 1 55 55 SER N N 15 115.307 0.3 . 1 . . . . . 55 SER N . 51399 1 570 . 1 . 1 56 56 LEU H H 1 7.407 0.020 . 1 . . . . . 56 LEU H . 51399 1 571 . 1 . 1 56 56 LEU HA H 1 3.992 0.020 . 1 . . . . . 56 LEU HA . 51399 1 572 . 1 . 1 56 56 LEU HB2 H 1 1.848 0.020 . 1 . . . . . 56 LEU HB2 . 51399 1 573 . 1 . 1 56 56 LEU HB3 H 1 1.848 0.020 . 1 . . . . . 56 LEU HB3 . 51399 1 574 . 1 . 1 56 56 LEU HG H 1 1.019 0.020 . 1 . . . . . 56 LEU HG . 51399 1 575 . 1 . 1 56 56 LEU HD11 H 1 0.698 0.020 . 1 . . . . . 56 LEU HD1 . 51399 1 576 . 1 . 1 56 56 LEU HD12 H 1 0.698 0.020 . 1 . . . . . 56 LEU HD1 . 51399 1 577 . 1 . 1 56 56 LEU HD13 H 1 0.698 0.020 . 1 . . . . . 56 LEU HD1 . 51399 1 578 . 1 . 1 56 56 LEU HD21 H 1 0.630 0.020 . 1 . . . . . 56 LEU HD2 . 51399 1 579 . 1 . 1 56 56 LEU HD22 H 1 0.630 0.020 . 1 . . . . . 56 LEU HD2 . 51399 1 580 . 1 . 1 56 56 LEU HD23 H 1 0.630 0.020 . 1 . . . . . 56 LEU HD2 . 51399 1 581 . 1 . 1 56 56 LEU C C 13 178.522 0.3 . 1 . . . . . 56 LEU C . 51399 1 582 . 1 . 1 56 56 LEU CA C 13 58.308 0.3 . 1 . . . . . 56 LEU CA . 51399 1 583 . 1 . 1 56 56 LEU CB C 13 41.980 0.3 . 1 . . . . . 56 LEU CB . 51399 1 584 . 1 . 1 56 56 LEU CG C 13 26.871 0.3 . 1 . . . . . 56 LEU CG . 51399 1 585 . 1 . 1 56 56 LEU CD1 C 13 25.336 0.3 . 1 . . . . . 56 LEU CD1 . 51399 1 586 . 1 . 1 56 56 LEU CD2 C 13 25.046 0.3 . 1 . . . . . 56 LEU CD2 . 51399 1 587 . 1 . 1 56 56 LEU N N 15 122.593 0.3 . 1 . . . . . 56 LEU N . 51399 1 588 . 1 . 1 57 57 LEU H H 1 8.886 0.020 . 1 . . . . . 57 LEU H . 51399 1 589 . 1 . 1 57 57 LEU HA H 1 3.917 0.020 . 1 . . . . . 57 LEU HA . 51399 1 590 . 1 . 1 57 57 LEU HB2 H 1 1.825 0.020 . 2 . . . . . 57 LEU HB2 . 51399 1 591 . 1 . 1 57 57 LEU HB3 H 1 1.401 0.020 . 2 . . . . . 57 LEU HB3 . 51399 1 592 . 1 . 1 57 57 LEU HG H 1 1.393 0.020 . 1 . . . . . 57 LEU HG . 51399 1 593 . 1 . 1 57 57 LEU HD11 H 1 0.862 0.020 . 2 . . . . . 57 LEU HD1 . 51399 1 594 . 1 . 1 57 57 LEU HD12 H 1 0.862 0.020 . 2 . . . . . 57 LEU HD1 . 51399 1 595 . 1 . 1 57 57 LEU HD13 H 1 0.862 0.020 . 2 . . . . . 57 LEU HD1 . 51399 1 596 . 1 . 1 57 57 LEU HD21 H 1 0.697 0.020 . 2 . . . . . 57 LEU HD2 . 51399 1 597 . 1 . 1 57 57 LEU HD22 H 1 0.697 0.020 . 2 . . . . . 57 LEU HD2 . 51399 1 598 . 1 . 1 57 57 LEU HD23 H 1 0.697 0.020 . 2 . . . . . 57 LEU HD2 . 51399 1 599 . 1 . 1 57 57 LEU C C 13 179.143 0.3 . 1 . . . . . 57 LEU C . 51399 1 600 . 1 . 1 57 57 LEU CA C 13 58.267 0.3 . 1 . . . . . 57 LEU CA . 51399 1 601 . 1 . 1 57 57 LEU CB C 13 41.476 0.3 . 1 . . . . . 57 LEU CB . 51399 1 602 . 1 . 1 57 57 LEU CG C 13 26.566 0.3 . 1 . . . . . 57 LEU CG . 51399 1 603 . 1 . 1 57 57 LEU CD1 C 13 25.334 0.3 . 1 . . . . . 57 LEU CD1 . 51399 1 604 . 1 . 1 57 57 LEU CD2 C 13 25.042 0.3 . 1 . . . . . 57 LEU CD2 . 51399 1 605 . 1 . 1 57 57 LEU N N 15 120.776 0.3 . 1 . . . . . 57 LEU N . 51399 1 606 . 1 . 1 58 58 GLU H H 1 8.547 0.020 . 1 . . . . . 58 GLU H . 51399 1 607 . 1 . 1 58 58 GLU HA H 1 3.900 0.020 . 1 . . . . . 58 GLU HA . 51399 1 608 . 1 . 1 58 58 GLU HB2 H 1 2.017 0.020 . 2 . . . . . 58 GLU HB2 . 51399 1 609 . 1 . 1 58 58 GLU HB3 H 1 2.136 0.020 . 2 . . . . . 58 GLU HB3 . 51399 1 610 . 1 . 1 58 58 GLU HG2 H 1 2.450 0.020 . 1 . . . . . 58 GLU HG2 . 51399 1 611 . 1 . 1 58 58 GLU HG3 H 1 2.450 0.020 . 1 . . . . . 58 GLU HG3 . 51399 1 612 . 1 . 1 58 58 GLU C C 13 177.674 0.3 . 1 . . . . . 58 GLU C . 51399 1 613 . 1 . 1 58 58 GLU CA C 13 59.181 0.3 . 1 . . . . . 58 GLU CA . 51399 1 614 . 1 . 1 58 58 GLU CB C 13 29.219 0.3 . 1 . . . . . 58 GLU CB . 51399 1 615 . 1 . 1 58 58 GLU CG C 13 36.585 0.3 . 1 . . . . . 58 GLU CG . 51399 1 616 . 1 . 1 58 58 GLU N N 15 117.967 0.3 . 1 . . . . . 58 GLU N . 51399 1 617 . 1 . 1 59 59 LYS H H 1 6.962 0.020 . 1 . . . . . 59 LYS H . 51399 1 618 . 1 . 1 59 59 LYS HA H 1 4.365 0.020 . 1 . . . . . 59 LYS HA . 51399 1 619 . 1 . 1 59 59 LYS HB2 H 1 1.888 0.020 . 1 . . . . . 59 LYS HB2 . 51399 1 620 . 1 . 1 59 59 LYS HB3 H 1 1.888 0.020 . 1 . . . . . 59 LYS HB3 . 51399 1 621 . 1 . 1 59 59 LYS HG2 H 1 1.362 0.020 . 1 . . . . . 59 LYS HG2 . 51399 1 622 . 1 . 1 59 59 LYS HG3 H 1 1.362 0.020 . 1 . . . . . 59 LYS HG3 . 51399 1 623 . 1 . 1 59 59 LYS HD2 H 1 1.715 0.020 . 1 . . . . . 59 LYS HD2 . 51399 1 624 . 1 . 1 59 59 LYS HD3 H 1 1.715 0.020 . 1 . . . . . 59 LYS HD3 . 51399 1 625 . 1 . 1 59 59 LYS HE2 H 1 2.991 0.020 . 1 . . . . . 59 LYS HE2 . 51399 1 626 . 1 . 1 59 59 LYS HE3 H 1 2.991 0.020 . 1 . . . . . 59 LYS HE3 . 51399 1 627 . 1 . 1 59 59 LYS C C 13 176.969 0.3 . 1 . . . . . 59 LYS C . 51399 1 628 . 1 . 1 59 59 LYS CA C 13 56.868 0.3 . 1 . . . . . 59 LYS CA . 51399 1 629 . 1 . 1 59 59 LYS CB C 13 32.617 0.3 . 1 . . . . . 59 LYS CB . 51399 1 630 . 1 . 1 59 59 LYS CG C 13 24.716 0.3 . 1 . . . . . 59 LYS CG . 51399 1 631 . 1 . 1 59 59 LYS CD C 13 28.751 0.3 . 1 . . . . . 59 LYS CD . 51399 1 632 . 1 . 1 59 59 LYS CE C 13 41.902 0.3 . 1 . . . . . 59 LYS CE . 51399 1 633 . 1 . 1 59 59 LYS N N 15 116.468 0.3 . 1 . . . . . 59 LYS N . 51399 1 634 . 1 . 1 60 60 ALA H H 1 8.983 0.020 . 1 . . . . . 60 ALA H . 51399 1 635 . 1 . 1 60 60 ALA HA H 1 4.012 0.020 . 1 . . . . . 60 ALA HA . 51399 1 636 . 1 . 1 60 60 ALA HB1 H 1 1.686 0.020 . 1 . . . . . 60 ALA HB . 51399 1 637 . 1 . 1 60 60 ALA HB2 H 1 1.686 0.020 . 1 . . . . . 60 ALA HB . 51399 1 638 . 1 . 1 60 60 ALA HB3 H 1 1.686 0.020 . 1 . . . . . 60 ALA HB . 51399 1 639 . 1 . 1 60 60 ALA C C 13 178.558 0.3 . 1 . . . . . 60 ALA C . 51399 1 640 . 1 . 1 60 60 ALA CA C 13 55.517 0.3 . 1 . . . . . 60 ALA CA . 51399 1 641 . 1 . 1 60 60 ALA CB C 13 22.173 0.3 . 1 . . . . . 60 ALA CB . 51399 1 642 . 1 . 1 60 60 ALA N N 15 120.398 0.3 . 1 . . . . . 60 ALA N . 51399 1 643 . 1 . 1 61 61 GLY H H 1 7.814 0.020 . 1 . . . . . 61 GLY H . 51399 1 644 . 1 . 1 61 61 GLY HA2 H 1 4.623 0.020 . 1 . . . . . 61 GLY HA1 . 51399 1 645 . 1 . 1 61 61 GLY HA3 H 1 4.623 0.020 . 1 . . . . . 61 GLY HA2 . 51399 1 646 . 1 . 1 61 61 GLY CA C 13 43.315 0.3 . 1 . . . . . 61 GLY CA . 51399 1 647 . 1 . 1 61 61 GLY N N 15 102.498 0.3 . 1 . . . . . 61 GLY N . 51399 1 648 . 1 . 1 62 62 PRO HA H 1 4.065 0.020 . 1 . . . . . 62 PRO HA . 51399 1 649 . 1 . 1 62 62 PRO HB2 H 1 2.086 0.020 . 2 . . . . . 62 PRO HB2 . 51399 1 650 . 1 . 1 62 62 PRO HB3 H 1 1.765 0.020 . 2 . . . . . 62 PRO HB3 . 51399 1 651 . 1 . 1 62 62 PRO HG2 H 1 1.826 0.020 . 1 . . . . . 62 PRO HG2 . 51399 1 652 . 1 . 1 62 62 PRO HG3 H 1 1.826 0.020 . 1 . . . . . 62 PRO HG3 . 51399 1 653 . 1 . 1 62 62 PRO HD2 H 1 3.737 0.020 . 2 . . . . . 62 PRO HD2 . 51399 1 654 . 1 . 1 62 62 PRO HD3 H 1 3.523 0.020 . 2 . . . . . 62 PRO HD3 . 51399 1 655 . 1 . 1 62 62 PRO C C 13 178.677 0.3 . 1 . . . . . 62 PRO C . 51399 1 656 . 1 . 1 62 62 PRO CA C 13 64.476 0.3 . 1 . . . . . 62 PRO CA . 51399 1 657 . 1 . 1 62 62 PRO CB C 13 31.165 0.3 . 1 . . . . . 62 PRO CB . 51399 1 658 . 1 . 1 62 62 PRO CG C 13 26.900 0.3 . 1 . . . . . 62 PRO CG . 51399 1 659 . 1 . 1 62 62 PRO CD C 13 49.388 0.3 . 1 . . . . . 62 PRO CD . 51399 1 660 . 1 . 1 63 63 GLU H H 1 9.472 0.020 . 1 . . . . . 63 GLU H . 51399 1 661 . 1 . 1 63 63 GLU HA H 1 3.371 0.020 . 1 . . . . . 63 GLU HA . 51399 1 662 . 1 . 1 63 63 GLU HB2 H 1 0.255 0.020 . 2 . . . . . 63 GLU HB2 . 51399 1 663 . 1 . 1 63 63 GLU HB3 H 1 -0.144 0.020 . 2 . . . . . 63 GLU HB3 . 51399 1 664 . 1 . 1 63 63 GLU HG2 H 1 1.783 0.020 . 2 . . . . . 63 GLU HG2 . 51399 1 665 . 1 . 1 63 63 GLU HG3 H 1 1.723 0.020 . 2 . . . . . 63 GLU HG3 . 51399 1 666 . 1 . 1 63 63 GLU C C 13 177.579 0.3 . 1 . . . . . 63 GLU C . 51399 1 667 . 1 . 1 63 63 GLU CA C 13 59.640 0.3 . 1 . . . . . 63 GLU CA . 51399 1 668 . 1 . 1 63 63 GLU CB C 13 26.328 0.3 . 1 . . . . . 63 GLU CB . 51399 1 669 . 1 . 1 63 63 GLU CG C 13 37.191 0.3 . 1 . . . . . 63 GLU CG . 51399 1 670 . 1 . 1 63 63 GLU N N 15 121.618 0.3 . 1 . . . . . 63 GLU N . 51399 1 671 . 1 . 1 64 64 LEU H H 1 7.358 0.020 . 1 . . . . . 64 LEU H . 51399 1 672 . 1 . 1 64 64 LEU HA H 1 3.907 0.020 . 1 . . . . . 64 LEU HA . 51399 1 673 . 1 . 1 64 64 LEU HB2 H 1 1.781 0.020 . 2 . . . . . 64 LEU HB2 . 51399 1 674 . 1 . 1 64 64 LEU HB3 H 1 1.402 0.020 . 2 . . . . . 64 LEU HB3 . 51399 1 675 . 1 . 1 64 64 LEU HG H 1 1.649 0.020 . 1 . . . . . 64 LEU HG . 51399 1 676 . 1 . 1 64 64 LEU HD11 H 1 1.248 0.020 . 2 . . . . . 64 LEU HD1 . 51399 1 677 . 1 . 1 64 64 LEU HD12 H 1 1.248 0.020 . 2 . . . . . 64 LEU HD1 . 51399 1 678 . 1 . 1 64 64 LEU HD13 H 1 1.248 0.020 . 2 . . . . . 64 LEU HD1 . 51399 1 679 . 1 . 1 64 64 LEU HD21 H 1 0.803 0.020 . 2 . . . . . 64 LEU HD2 . 51399 1 680 . 1 . 1 64 64 LEU HD22 H 1 0.803 0.020 . 2 . . . . . 64 LEU HD2 . 51399 1 681 . 1 . 1 64 64 LEU HD23 H 1 0.803 0.020 . 2 . . . . . 64 LEU HD2 . 51399 1 682 . 1 . 1 64 64 LEU C C 13 177.674 0.3 . 1 . . . . . 64 LEU C . 51399 1 683 . 1 . 1 64 64 LEU CA C 13 57.857 0.3 . 1 . . . . . 64 LEU CA . 51399 1 684 . 1 . 1 64 64 LEU CB C 13 41.767 0.3 . 1 . . . . . 64 LEU CB . 51399 1 685 . 1 . 1 64 64 LEU CG C 13 26.582 0.3 . 1 . . . . . 64 LEU CG . 51399 1 686 . 1 . 1 64 64 LEU CD1 C 13 25.032 0.3 . 1 . . . . . 64 LEU CD1 . 51399 1 687 . 1 . 1 64 64 LEU CD2 C 13 23.482 0.3 . 1 . . . . . 64 LEU CD2 . 51399 1 688 . 1 . 1 64 64 LEU N N 15 117.637 0.3 . 1 . . . . . 64 LEU N . 51399 1 689 . 1 . 1 65 65 GLN H H 1 6.628 0.020 . 1 . . . . . 65 GLN H . 51399 1 690 . 1 . 1 65 65 GLN HA H 1 3.869 0.020 . 1 . . . . . 65 GLN HA . 51399 1 691 . 1 . 1 65 65 GLN HB2 H 1 1.967 0.020 . 1 . . . . . 65 GLN HB2 . 51399 1 692 . 1 . 1 65 65 GLN HB3 H 1 1.967 0.020 . 1 . . . . . 65 GLN HB3 . 51399 1 693 . 1 . 1 65 65 GLN HG2 H 1 1.867 0.020 . 1 . . . . . 65 GLN HG2 . 51399 1 694 . 1 . 1 65 65 GLN HG3 H 1 1.867 0.020 . 1 . . . . . 65 GLN HG3 . 51399 1 695 . 1 . 1 65 65 GLN C C 13 177.226 0.3 . 1 . . . . . 65 GLN C . 51399 1 696 . 1 . 1 65 65 GLN CA C 13 57.405 0.3 . 1 . . . . . 65 GLN CA . 51399 1 697 . 1 . 1 65 65 GLN CB C 13 29.800 0.3 . 1 . . . . . 65 GLN CB . 51399 1 698 . 1 . 1 65 65 GLN CG C 13 35.934 0.3 . 1 . . . . . 65 GLN CG . 51399 1 699 . 1 . 1 65 65 GLN N N 15 114.714 0.3 . 1 . . . . . 65 GLN N . 51399 1 700 . 1 . 1 66 66 GLU H H 1 7.008 0.020 . 1 . . . . . 66 GLU H . 51399 1 701 . 1 . 1 66 66 GLU HA H 1 4.117 0.020 . 1 . . . . . 66 GLU HA . 51399 1 702 . 1 . 1 66 66 GLU HB2 H 1 1.956 0.020 . 1 . . . . . 66 GLU HB2 . 51399 1 703 . 1 . 1 66 66 GLU HB3 H 1 1.956 0.020 . 1 . . . . . 66 GLU HB3 . 51399 1 704 . 1 . 1 66 66 GLU HG2 H 1 2.228 0.020 . 1 . . . . . 66 GLU HG2 . 51399 1 705 . 1 . 1 66 66 GLU HG3 H 1 2.228 0.020 . 1 . . . . . 66 GLU HG3 . 51399 1 706 . 1 . 1 66 66 GLU C C 13 179.059 0.3 . 1 . . . . . 66 GLU C . 51399 1 707 . 1 . 1 66 66 GLU CA C 13 58.846 0.3 . 1 . . . . . 66 GLU CA . 51399 1 708 . 1 . 1 66 66 GLU CB C 13 28.918 0.3 . 1 . . . . . 66 GLU CB . 51399 1 709 . 1 . 1 66 66 GLU CG C 13 36.160 0.3 . 1 . . . . . 66 GLU CG . 51399 1 710 . 1 . 1 66 66 GLU N N 15 118.301 0.3 . 1 . . . . . 66 GLU N . 51399 1 711 . 1 . 1 67 67 GLU H H 1 8.551 0.020 . 1 . . . . . 67 GLU H . 51399 1 712 . 1 . 1 67 67 GLU HA H 1 3.902 0.020 . 1 . . . . . 67 GLU HA . 51399 1 713 . 1 . 1 67 67 GLU HB2 H 1 2.220 0.020 . 1 . . . . . 67 GLU HB2 . 51399 1 714 . 1 . 1 67 67 GLU HB3 H 1 2.220 0.020 . 1 . . . . . 67 GLU HB3 . 51399 1 715 . 1 . 1 67 67 GLU HG2 H 1 2.449 0.020 . 1 . . . . . 67 GLU HG2 . 51399 1 716 . 1 . 1 67 67 GLU HG3 H 1 2.449 0.020 . 1 . . . . . 67 GLU HG3 . 51399 1 717 . 1 . 1 67 67 GLU C C 13 178.522 0.3 . 1 . . . . . 67 GLU C . 51399 1 718 . 1 . 1 67 67 GLU CA C 13 59.584 0.3 . 1 . . . . . 67 GLU CA . 51399 1 719 . 1 . 1 67 67 GLU CB C 13 29.313 0.3 . 1 . . . . . 67 GLU CB . 51399 1 720 . 1 . 1 67 67 GLU CG C 13 36.595 0.3 . 1 . . . . . 67 GLU CG . 51399 1 721 . 1 . 1 67 67 GLU N N 15 120.594 0.3 . 1 . . . . . 67 GLU N . 51399 1 722 . 1 . 1 68 68 LEU H H 1 8.000 0.020 . 1 . . . . . 68 LEU H . 51399 1 723 . 1 . 1 68 68 LEU HA H 1 3.841 0.020 . 1 . . . . . 68 LEU HA . 51399 1 724 . 1 . 1 68 68 LEU HB2 H 1 0.946 0.020 . 1 . . . . . 68 LEU HB2 . 51399 1 725 . 1 . 1 68 68 LEU HB3 H 1 0.946 0.020 . 1 . . . . . 68 LEU HB3 . 51399 1 726 . 1 . 1 68 68 LEU HG H 1 0.437 0.020 . 1 . . . . . 68 LEU HG . 51399 1 727 . 1 . 1 68 68 LEU HD11 H 1 0.629 0.020 . 1 . . . . . 68 LEU HD1 . 51399 1 728 . 1 . 1 68 68 LEU HD12 H 1 0.629 0.020 . 1 . . . . . 68 LEU HD1 . 51399 1 729 . 1 . 1 68 68 LEU HD13 H 1 0.629 0.020 . 1 . . . . . 68 LEU HD1 . 51399 1 730 . 1 . 1 68 68 LEU HD21 H 1 0.455 0.020 . 1 . . . . . 68 LEU HD2 . 51399 1 731 . 1 . 1 68 68 LEU HD22 H 1 0.455 0.020 . 1 . . . . . 68 LEU HD2 . 51399 1 732 . 1 . 1 68 68 LEU HD23 H 1 0.455 0.020 . 1 . . . . . 68 LEU HD2 . 51399 1 733 . 1 . 1 68 68 LEU C C 13 177.538 0.3 . 1 . . . . . 68 LEU C . 51399 1 734 . 1 . 1 68 68 LEU CA C 13 57.913 0.3 . 1 . . . . . 68 LEU CA . 51399 1 735 . 1 . 1 68 68 LEU CB C 13 41.417 0.3 . 1 . . . . . 68 LEU CB . 51399 1 736 . 1 . 1 68 68 LEU CG C 13 27.722 0.3 . 1 . . . . . 68 LEU CG . 51399 1 737 . 1 . 1 68 68 LEU CD1 C 13 25.968 0.3 . 1 . . . . . 68 LEU CD1 . 51399 1 738 . 1 . 1 68 68 LEU CD2 C 13 23.128 0.3 . 1 . . . . . 68 LEU CD2 . 51399 1 739 . 1 . 1 68 68 LEU N N 15 120.214 0.3 . 1 . . . . . 68 LEU N . 51399 1 740 . 1 . 1 69 69 ASP H H 1 8.258 0.020 . 1 . . . . . 69 ASP H . 51399 1 741 . 1 . 1 69 69 ASP HA H 1 4.271 0.020 . 1 . . . . . 69 ASP HA . 51399 1 742 . 1 . 1 69 69 ASP HB2 H 1 2.826 0.020 . 2 . . . . . 69 ASP HB2 . 51399 1 743 . 1 . 1 69 69 ASP HB3 H 1 2.608 0.020 . 2 . . . . . 69 ASP HB3 . 51399 1 744 . 1 . 1 69 69 ASP C C 13 179.418 0.3 . 1 . . . . . 69 ASP C . 51399 1 745 . 1 . 1 69 69 ASP CA C 13 57.216 0.3 . 1 . . . . . 69 ASP CA . 51399 1 746 . 1 . 1 69 69 ASP CB C 13 39.700 0.3 . 1 . . . . . 69 ASP CB . 51399 1 747 . 1 . 1 69 69 ASP N N 15 117.275 0.3 . 1 . . . . . 69 ASP N . 51399 1 748 . 1 . 1 70 70 THR H H 1 7.913 0.020 . 1 . . . . . 70 THR H . 51399 1 749 . 1 . 1 70 70 THR HA H 1 3.982 0.020 . 1 . . . . . 70 THR HA . 51399 1 750 . 1 . 1 70 70 THR HB H 1 4.509 0.020 . 1 . . . . . 70 THR HB . 51399 1 751 . 1 . 1 70 70 THR HG21 H 1 1.293 0.020 . 1 . . . . . 70 THR HG2 . 51399 1 752 . 1 . 1 70 70 THR HG22 H 1 1.293 0.020 . 1 . . . . . 70 THR HG2 . 51399 1 753 . 1 . 1 70 70 THR HG23 H 1 1.293 0.020 . 1 . . . . . 70 THR HG2 . 51399 1 754 . 1 . 1 70 70 THR C C 13 177.387 0.3 . 1 . . . . . 70 THR C . 51399 1 755 . 1 . 1 70 70 THR CA C 13 67.000 0.3 . 1 . . . . . 70 THR CA . 51399 1 756 . 1 . 1 70 70 THR CB C 13 68.716 0.3 . 1 . . . . . 70 THR CB . 51399 1 757 . 1 . 1 70 70 THR CG2 C 13 21.280 0.3 . 1 . . . . . 70 THR CG2 . 51399 1 758 . 1 . 1 70 70 THR N N 15 116.787 0.3 . 1 . . . . . 70 THR N . 51399 1 759 . 1 . 1 71 71 VAL H H 1 8.830 0.020 . 1 . . . . . 71 VAL H . 51399 1 760 . 1 . 1 71 71 VAL HA H 1 3.916 0.020 . 1 . . . . . 71 VAL HA . 51399 1 761 . 1 . 1 71 71 VAL HB H 1 2.251 0.020 . 1 . . . . . 71 VAL HB . 51399 1 762 . 1 . 1 71 71 VAL HG11 H 1 1.288 0.020 . 1 . . . . . 71 VAL HG1 . 51399 1 763 . 1 . 1 71 71 VAL HG12 H 1 1.288 0.020 . 1 . . . . . 71 VAL HG1 . 51399 1 764 . 1 . 1 71 71 VAL HG13 H 1 1.288 0.020 . 1 . . . . . 71 VAL HG1 . 51399 1 765 . 1 . 1 71 71 VAL HG21 H 1 1.158 0.020 . 1 . . . . . 71 VAL HG2 . 51399 1 766 . 1 . 1 71 71 VAL HG22 H 1 1.158 0.020 . 1 . . . . . 71 VAL HG2 . 51399 1 767 . 1 . 1 71 71 VAL HG23 H 1 1.158 0.020 . 1 . . . . . 71 VAL HG2 . 51399 1 768 . 1 . 1 71 71 VAL C C 13 178.797 0.3 . 1 . . . . . 71 VAL C . 51399 1 769 . 1 . 1 71 71 VAL CA C 13 65.769 0.3 . 1 . . . . . 71 VAL CA . 51399 1 770 . 1 . 1 71 71 VAL CB C 13 31.668 0.3 . 1 . . . . . 71 VAL CB . 51399 1 771 . 1 . 1 71 71 VAL CG1 C 13 22.531 0.3 . 1 . . . . . 71 VAL CG1 . 51399 1 772 . 1 . 1 71 71 VAL CG2 C 13 21.287 0.3 . 1 . . . . . 71 VAL CG2 . 51399 1 773 . 1 . 1 71 71 VAL N N 15 122.958 0.3 . 1 . . . . . 71 VAL N . 51399 1 774 . 1 . 1 72 72 GLY H H 1 8.592 0.020 . 1 . . . . . 72 GLY H . 51399 1 775 . 1 . 1 72 72 GLY HA2 H 1 3.767 0.020 . 2 . . . . . 72 GLY HA1 . 51399 1 776 . 1 . 1 72 72 GLY HA3 H 1 3.462 0.020 . 2 . . . . . 72 GLY HA2 . 51399 1 777 . 1 . 1 72 72 GLY C C 13 174.175 0.3 . 1 . . . . . 72 GLY C . 51399 1 778 . 1 . 1 72 72 GLY CA C 13 45.635 0.3 . 1 . . . . . 72 GLY CA . 51399 1 779 . 1 . 1 72 72 GLY N N 15 106.303 0.3 . 1 . . . . . 72 GLY N . 51399 1 780 . 1 . 1 73 73 GLN H H 1 7.344 0.020 . 1 . . . . . 73 GLN H . 51399 1 781 . 1 . 1 73 73 GLN HA H 1 4.136 0.020 . 1 . . . . . 73 GLN HA . 51399 1 782 . 1 . 1 73 73 GLN HB2 H 1 2.209 0.020 . 1 . . . . . 73 GLN HB2 . 51399 1 783 . 1 . 1 73 73 GLN HB3 H 1 2.209 0.020 . 1 . . . . . 73 GLN HB3 . 51399 1 784 . 1 . 1 73 73 GLN HG2 H 1 2.651 0.020 . 1 . . . . . 73 GLN HG2 . 51399 1 785 . 1 . 1 73 73 GLN HG3 H 1 2.651 0.020 . 1 . . . . . 73 GLN HG3 . 51399 1 786 . 1 . 1 73 73 GLN C C 13 177.507 0.3 . 1 . . . . . 73 GLN C . 51399 1 787 . 1 . 1 73 73 GLN CA C 13 57.578 0.3 . 1 . . . . . 73 GLN CA . 51399 1 788 . 1 . 1 73 73 GLN CB C 13 28.187 0.3 . 1 . . . . . 73 GLN CB . 51399 1 789 . 1 . 1 73 73 GLN CG C 13 33.742 0.3 . 1 . . . . . 73 GLN CG . 51399 1 790 . 1 . 1 73 73 GLN N N 15 118.655 0.3 . 1 . . . . . 73 GLN N . 51399 1 791 . 1 . 1 74 74 GLY H H 1 8.373 0.020 . 1 . . . . . 74 GLY H . 51399 1 792 . 1 . 1 74 74 GLY HA2 H 1 3.954 0.020 . 1 . . . . . 74 GLY HA1 . 51399 1 793 . 1 . 1 74 74 GLY HA3 H 1 3.954 0.020 . 1 . . . . . 74 GLY HA2 . 51399 1 794 . 1 . 1 74 74 GLY C C 13 173.590 0.3 . 1 . . . . . 74 GLY C . 51399 1 795 . 1 . 1 74 74 GLY CA C 13 45.098 0.3 . 1 . . . . . 74 GLY CA . 51399 1 796 . 1 . 1 74 74 GLY N N 15 108.541 0.3 . 1 . . . . . 74 GLY N . 51399 1 797 . 1 . 1 75 75 VAL H H 1 7.554 0.020 . 1 . . . . . 75 VAL H . 51399 1 798 . 1 . 1 75 75 VAL HA H 1 4.245 0.020 . 1 . . . . . 75 VAL HA . 51399 1 799 . 1 . 1 75 75 VAL HB H 1 2.070 0.020 . 1 . . . . . 75 VAL HB . 51399 1 800 . 1 . 1 75 75 VAL HG11 H 1 0.855 0.020 . 1 . . . . . 75 VAL HG1 . 51399 1 801 . 1 . 1 75 75 VAL HG12 H 1 0.855 0.020 . 1 . . . . . 75 VAL HG1 . 51399 1 802 . 1 . 1 75 75 VAL HG13 H 1 0.855 0.020 . 1 . . . . . 75 VAL HG1 . 51399 1 803 . 1 . 1 75 75 VAL HG21 H 1 0.878 0.020 . 1 . . . . . 75 VAL HG2 . 51399 1 804 . 1 . 1 75 75 VAL HG22 H 1 0.878 0.020 . 1 . . . . . 75 VAL HG2 . 51399 1 805 . 1 . 1 75 75 VAL HG23 H 1 0.878 0.020 . 1 . . . . . 75 VAL HG2 . 51399 1 806 . 1 . 1 75 75 VAL C C 13 174.402 0.3 . 1 . . . . . 75 VAL C . 51399 1 807 . 1 . 1 75 75 VAL CA C 13 60.531 0.3 . 1 . . . . . 75 VAL CA . 51399 1 808 . 1 . 1 75 75 VAL CB C 13 34.164 0.3 . 1 . . . . . 75 VAL CB . 51399 1 809 . 1 . 1 75 75 VAL CG1 C 13 20.971 0.3 . 1 . . . . . 75 VAL CG1 . 51399 1 810 . 1 . 1 75 75 VAL CG2 C 13 20.664 0.3 . 1 . . . . . 75 VAL CG2 . 51399 1 811 . 1 . 1 75 75 VAL N N 15 118.687 0.3 . 1 . . . . . 75 VAL N . 51399 1 812 . 1 . 1 76 76 ALA H H 1 8.388 0.020 . 1 . . . . . 76 ALA H . 51399 1 813 . 1 . 1 76 76 ALA HA H 1 4.527 0.020 . 1 . . . . . 76 ALA HA . 51399 1 814 . 1 . 1 76 76 ALA HB1 H 1 1.292 0.020 . 1 . . . . . 76 ALA HB . 51399 1 815 . 1 . 1 76 76 ALA HB2 H 1 1.292 0.020 . 1 . . . . . 76 ALA HB . 51399 1 816 . 1 . 1 76 76 ALA HB3 H 1 1.292 0.020 . 1 . . . . . 76 ALA HB . 51399 1 817 . 1 . 1 76 76 ALA C C 13 176.408 0.3 . 1 . . . . . 76 ALA C . 51399 1 818 . 1 . 1 76 76 ALA CA C 13 50.669 0.3 . 1 . . . . . 76 ALA CA . 51399 1 819 . 1 . 1 76 76 ALA CB C 13 16.606 0.3 . 1 . . . . . 76 ALA CB . 51399 1 820 . 1 . 1 76 76 ALA N N 15 128.070 0.3 . 1 . . . . . 76 ALA N . 51399 1 821 . 1 . 1 77 77 VAL H H 1 8.333 0.020 . 1 . . . . . 77 VAL H . 51399 1 822 . 1 . 1 77 77 VAL HA H 1 3.818 0.020 . 1 . . . . . 77 VAL HA . 51399 1 823 . 1 . 1 77 77 VAL HB H 1 2.051 0.020 . 1 . . . . . 77 VAL HB . 51399 1 824 . 1 . 1 77 77 VAL HG11 H 1 1.042 0.020 . 1 . . . . . 77 VAL HG1 . 51399 1 825 . 1 . 1 77 77 VAL HG12 H 1 1.042 0.020 . 1 . . . . . 77 VAL HG1 . 51399 1 826 . 1 . 1 77 77 VAL HG13 H 1 1.042 0.020 . 1 . . . . . 77 VAL HG1 . 51399 1 827 . 1 . 1 77 77 VAL HG21 H 1 1.052 0.020 . 1 . . . . . 77 VAL HG2 . 51399 1 828 . 1 . 1 77 77 VAL HG22 H 1 1.052 0.020 . 1 . . . . . 77 VAL HG2 . 51399 1 829 . 1 . 1 77 77 VAL HG23 H 1 1.052 0.020 . 1 . . . . . 77 VAL HG2 . 51399 1 830 . 1 . 1 77 77 VAL C C 13 175.214 0.3 . 1 . . . . . 77 VAL C . 51399 1 831 . 1 . 1 77 77 VAL CA C 13 64.097 0.3 . 1 . . . . . 77 VAL CA . 51399 1 832 . 1 . 1 77 77 VAL CB C 13 31.559 0.3 . 1 . . . . . 77 VAL CB . 51399 1 833 . 1 . 1 77 77 VAL CG1 C 13 22.516 0.3 . 1 . . . . . 77 VAL CG1 . 51399 1 834 . 1 . 1 77 77 VAL CG2 C 13 22.229 0.3 . 1 . . . . . 77 VAL CG2 . 51399 1 835 . 1 . 1 77 77 VAL N N 15 127.061 0.3 . 1 . . . . . 77 VAL N . 51399 1 836 . 1 . 1 78 78 SER H H 1 8.860 0.020 . 1 . . . . . 78 SER H . 51399 1 837 . 1 . 1 78 78 SER HA H 1 4.628 0.020 . 1 . . . . . 78 SER HA . 51399 1 838 . 1 . 1 78 78 SER HB2 H 1 3.763 0.020 . 1 . . . . . 78 SER HB2 . 51399 1 839 . 1 . 1 78 78 SER HB3 H 1 3.763 0.020 . 1 . . . . . 78 SER HB3 . 51399 1 840 . 1 . 1 78 78 SER C C 13 173.375 0.3 . 1 . . . . . 78 SER C . 51399 1 841 . 1 . 1 78 78 SER CA C 13 56.241 0.3 . 1 . . . . . 78 SER CA . 51399 1 842 . 1 . 1 78 78 SER CB C 13 65.808 0.3 . 1 . . . . . 78 SER CB . 51399 1 843 . 1 . 1 78 78 SER N N 15 121.730 0.3 . 1 . . . . . 78 SER N . 51399 1 844 . 1 . 1 79 79 MET H H 1 8.451 0.020 . 1 . . . . . 79 MET H . 51399 1 845 . 1 . 1 79 79 MET HA H 1 4.266 0.020 . 1 . . . . . 79 MET HA . 51399 1 846 . 1 . 1 79 79 MET HB2 H 1 2.661 0.020 . 1 . . . . . 79 MET HB2 . 51399 1 847 . 1 . 1 79 79 MET HB3 H 1 2.661 0.020 . 1 . . . . . 79 MET HB3 . 51399 1 848 . 1 . 1 79 79 MET HG2 H 1 2.125 0.020 . 1 . . . . . 79 MET HG2 . 51399 1 849 . 1 . 1 79 79 MET HG3 H 1 2.125 0.020 . 1 . . . . . 79 MET HG3 . 51399 1 850 . 1 . 1 79 79 MET C C 13 177.841 0.3 . 1 . . . . . 79 MET C . 51399 1 851 . 1 . 1 79 79 MET CA C 13 57.537 0.3 . 1 . . . . . 79 MET CA . 51399 1 852 . 1 . 1 79 79 MET CB C 13 31.908 0.3 . 1 . . . . . 79 MET CB . 51399 1 853 . 1 . 1 79 79 MET CG C 13 32.207 0.3 . 1 . . . . . 79 MET CG . 51399 1 854 . 1 . 1 79 79 MET N N 15 119.447 0.3 . 1 . . . . . 79 MET N . 51399 1 855 . 1 . 1 80 80 GLY H H 1 9.779 0.020 . 1 . . . . . 80 GLY H . 51399 1 856 . 1 . 1 80 80 GLY HA2 H 1 4.457 0.020 . 2 . . . . . 80 GLY HA1 . 51399 1 857 . 1 . 1 80 80 GLY HA3 H 1 3.331 0.020 . 2 . . . . . 80 GLY HA2 . 51399 1 858 . 1 . 1 80 80 GLY C C 13 173.447 0.3 . 1 . . . . . 80 GLY C . 51399 1 859 . 1 . 1 80 80 GLY CA C 13 44.652 0.3 . 1 . . . . . 80 GLY CA . 51399 1 860 . 1 . 1 80 80 GLY N N 15 114.385 0.3 . 1 . . . . . 80 GLY N . 51399 1 861 . 1 . 1 81 81 THR H H 1 8.202 0.020 . 1 . . . . . 81 THR H . 51399 1 862 . 1 . 1 81 81 THR HA H 1 3.998 0.020 . 1 . . . . . 81 THR HA . 51399 1 863 . 1 . 1 81 81 THR HB H 1 4.136 0.020 . 1 . . . . . 81 THR HB . 51399 1 864 . 1 . 1 81 81 THR HG21 H 1 1.267 0.020 . 1 . . . . . 81 THR HG2 . 51399 1 865 . 1 . 1 81 81 THR HG22 H 1 1.267 0.020 . 1 . . . . . 81 THR HG2 . 51399 1 866 . 1 . 1 81 81 THR HG23 H 1 1.267 0.020 . 1 . . . . . 81 THR HG2 . 51399 1 867 . 1 . 1 81 81 THR C C 13 171.787 0.3 . 1 . . . . . 81 THR C . 51399 1 868 . 1 . 1 81 81 THR CA C 13 65.879 0.3 . 1 . . . . . 81 THR CA . 51399 1 869 . 1 . 1 81 81 THR CB C 13 69.416 0.3 . 1 . . . . . 81 THR CB . 51399 1 870 . 1 . 1 81 81 THR CG2 C 13 22.519 0.3 . 1 . . . . . 81 THR CG2 . 51399 1 871 . 1 . 1 81 81 THR N N 15 119.667 0.3 . 1 . . . . . 81 THR N . 51399 1 872 . 1 . 1 82 82 VAL H H 1 8.066 0.020 . 1 . . . . . 82 VAL H . 51399 1 873 . 1 . 1 82 82 VAL HA H 1 4.688 0.020 . 1 . . . . . 82 VAL HA . 51399 1 874 . 1 . 1 82 82 VAL HB H 1 1.913 0.020 . 1 . . . . . 82 VAL HB . 51399 1 875 . 1 . 1 82 82 VAL HG11 H 1 1.082 0.020 . 1 . . . . . 82 VAL HG1 . 51399 1 876 . 1 . 1 82 82 VAL HG12 H 1 1.082 0.020 . 1 . . . . . 82 VAL HG1 . 51399 1 877 . 1 . 1 82 82 VAL HG13 H 1 1.082 0.020 . 1 . . . . . 82 VAL HG1 . 51399 1 878 . 1 . 1 82 82 VAL HG21 H 1 0.707 0.020 . 1 . . . . . 82 VAL HG2 . 51399 1 879 . 1 . 1 82 82 VAL HG22 H 1 0.707 0.020 . 1 . . . . . 82 VAL HG2 . 51399 1 880 . 1 . 1 82 82 VAL HG23 H 1 0.707 0.020 . 1 . . . . . 82 VAL HG2 . 51399 1 881 . 1 . 1 82 82 VAL C C 13 175.572 0.3 . 1 . . . . . 82 VAL C . 51399 1 882 . 1 . 1 82 82 VAL CA C 13 61.528 0.3 . 1 . . . . . 82 VAL CA . 51399 1 883 . 1 . 1 82 82 VAL CB C 13 33.832 0.3 . 1 . . . . . 82 VAL CB . 51399 1 884 . 1 . 1 82 82 VAL CG1 C 13 22.217 0.3 . 1 . . . . . 82 VAL CG1 . 51399 1 885 . 1 . 1 82 82 VAL CG2 C 13 20.602 0.3 . 1 . . . . . 82 VAL CG2 . 51399 1 886 . 1 . 1 82 82 VAL N N 15 125.441 0.3 . 1 . . . . . 82 VAL N . 51399 1 887 . 1 . 1 83 83 LEU H H 1 9.451 0.020 . 1 . . . . . 83 LEU H . 51399 1 888 . 1 . 1 83 83 LEU HA H 1 4.811 0.020 . 1 . . . . . 83 LEU HA . 51399 1 889 . 1 . 1 83 83 LEU HB2 H 1 1.621 0.020 . 2 . . . . . 83 LEU HB2 . 51399 1 890 . 1 . 1 83 83 LEU HB3 H 1 1.294 0.020 . 2 . . . . . 83 LEU HB3 . 51399 1 891 . 1 . 1 83 83 LEU HG H 1 0.767 0.020 . 1 . . . . . 83 LEU HG . 51399 1 892 . 1 . 1 83 83 LEU HD11 H 1 0.855 0.020 . 2 . . . . . 83 LEU HD1 . 51399 1 893 . 1 . 1 83 83 LEU HD12 H 1 0.855 0.020 . 2 . . . . . 83 LEU HD1 . 51399 1 894 . 1 . 1 83 83 LEU HD13 H 1 0.855 0.020 . 2 . . . . . 83 LEU HD1 . 51399 1 895 . 1 . 1 83 83 LEU HD21 H 1 0.848 0.020 . 1 . . . . . 83 LEU HD2 . 51399 1 896 . 1 . 1 83 83 LEU HD22 H 1 0.848 0.020 . 1 . . . . . 83 LEU HD2 . 51399 1 897 . 1 . 1 83 83 LEU HD23 H 1 0.848 0.020 . 1 . . . . . 83 LEU HD2 . 51399 1 898 . 1 . 1 83 83 LEU C C 13 174.772 0.3 . 1 . . . . . 83 LEU C . 51399 1 899 . 1 . 1 83 83 LEU CA C 13 53.411 0.3 . 1 . . . . . 83 LEU CA . 51399 1 900 . 1 . 1 83 83 LEU CB C 13 44.705 0.3 . 1 . . . . . 83 LEU CB . 51399 1 901 . 1 . 1 83 83 LEU CG C 13 26.899 0.3 . 1 . . . . . 83 LEU CG . 51399 1 902 . 1 . 1 83 83 LEU CD1 C 13 24.403 0.3 . 1 . . . . . 83 LEU CD1 . 51399 1 903 . 1 . 1 83 83 LEU CD2 C 13 24.105 0.3 . 1 . . . . . 83 LEU CD2 . 51399 1 904 . 1 . 1 83 83 LEU N N 15 127.643 0.3 . 1 . . . . . 83 LEU N . 51399 1 905 . 1 . 1 84 84 LYS H H 1 8.644 0.020 . 1 . . . . . 84 LYS H . 51399 1 906 . 1 . 1 84 84 LYS HA H 1 5.462 0.020 . 1 . . . . . 84 LYS HA . 51399 1 907 . 1 . 1 84 84 LYS HB2 H 1 1.772 0.020 . 2 . . . . . 84 LYS HB2 . 51399 1 908 . 1 . 1 84 84 LYS HB3 H 1 1.404 0.020 . 2 . . . . . 84 LYS HB3 . 51399 1 909 . 1 . 1 84 84 LYS HG2 H 1 1.238 0.020 . 2 . . . . . 84 LYS HG2 . 51399 1 910 . 1 . 1 84 84 LYS HG3 H 1 1.164 0.020 . 2 . . . . . 84 LYS HG3 . 51399 1 911 . 1 . 1 84 84 LYS HD2 H 1 1.141 0.020 . 2 . . . . . 84 LYS HD2 . 51399 1 912 . 1 . 1 84 84 LYS HD3 H 1 0.992 0.020 . 2 . . . . . 84 LYS HD3 . 51399 1 913 . 1 . 1 84 84 LYS HE2 H 1 2.619 0.020 . 2 . . . . . 84 LYS HE2 . 51399 1 914 . 1 . 1 84 84 LYS HE3 H 1 2.455 0.020 . 2 . . . . . 84 LYS HE3 . 51399 1 915 . 1 . 1 84 84 LYS C C 13 176.086 0.3 . 1 . . . . . 84 LYS C . 51399 1 916 . 1 . 1 84 84 LYS CA C 13 54.960 0.3 . 1 . . . . . 84 LYS CA . 51399 1 917 . 1 . 1 84 84 LYS CB C 13 34.847 0.3 . 1 . . . . . 84 LYS CB . 51399 1 918 . 1 . 1 84 84 LYS CG C 13 24.036 0.3 . 1 . . . . . 84 LYS CG . 51399 1 919 . 1 . 1 84 84 LYS CD C 13 28.466 0.3 . 1 . . . . . 84 LYS CD . 51399 1 920 . 1 . 1 84 84 LYS CE C 13 40.665 0.3 . 1 . . . . . 84 LYS CE . 51399 1 921 . 1 . 1 84 84 LYS N N 15 124.475 0.3 . 1 . . . . . 84 LYS N . 51399 1 922 . 1 . 1 85 85 THR H H 1 9.481 0.020 . 1 . . . . . 85 THR H . 51399 1 923 . 1 . 1 85 85 THR HA H 1 4.958 0.020 . 1 . . . . . 85 THR HA . 51399 1 924 . 1 . 1 85 85 THR HB H 1 4.873 0.020 . 1 . . . . . 85 THR HB . 51399 1 925 . 1 . 1 85 85 THR HG21 H 1 1.152 0.020 . 1 . . . . . 85 THR HG2 . 51399 1 926 . 1 . 1 85 85 THR HG22 H 1 1.152 0.020 . 1 . . . . . 85 THR HG2 . 51399 1 927 . 1 . 1 85 85 THR HG23 H 1 1.152 0.020 . 1 . . . . . 85 THR HG2 . 51399 1 928 . 1 . 1 85 85 THR C C 13 174.605 0.3 . 1 . . . . . 85 THR C . 51399 1 929 . 1 . 1 85 85 THR CA C 13 60.197 0.3 . 1 . . . . . 85 THR CA . 51399 1 930 . 1 . 1 85 85 THR CB C 13 73.488 0.3 . 1 . . . . . 85 THR CB . 51399 1 931 . 1 . 1 85 85 THR CG2 C 13 20.303 0.3 . 1 . . . . . 85 THR CG2 . 51399 1 932 . 1 . 1 85 85 THR N N 15 114.319 0.3 . 1 . . . . . 85 THR N . 51399 1 933 . 1 . 1 86 86 SER H H 1 9.639 0.020 . 1 . . . . . 86 SER H . 51399 1 934 . 1 . 1 86 86 SER HA H 1 4.650 0.020 . 1 . . . . . 86 SER HA . 51399 1 935 . 1 . 1 86 86 SER HB2 H 1 3.899 0.020 . 1 . . . . . 86 SER HB2 . 51399 1 936 . 1 . 1 86 86 SER HB3 H 1 3.899 0.020 . 1 . . . . . 86 SER HB3 . 51399 1 937 . 1 . 1 86 86 SER C C 13 173.178 0.3 . 1 . . . . . 86 SER C . 51399 1 938 . 1 . 1 86 86 SER CA C 13 59.528 0.3 . 1 . . . . . 86 SER CA . 51399 1 939 . 1 . 1 86 86 SER CB C 13 62.592 0.3 . 1 . . . . . 86 SER CB . 51399 1 940 . 1 . 1 86 86 SER N N 15 116.727 0.3 . 1 . . . . . 86 SER N . 51399 1 941 . 1 . 1 87 87 SER H H 1 7.292 0.020 . 1 . . . . . 87 SER H . 51399 1 942 . 1 . 1 87 87 SER HA H 1 4.253 0.020 . 1 . . . . . 87 SER HA . 51399 1 943 . 1 . 1 87 87 SER HB2 H 1 3.762 0.020 . 2 . . . . . 87 SER HB2 . 51399 1 944 . 1 . 1 87 87 SER HB3 H 1 2.930 0.020 . 2 . . . . . 87 SER HB3 . 51399 1 945 . 1 . 1 87 87 SER C C 13 174.020 0.3 . 1 . . . . . 87 SER C . 51399 1 946 . 1 . 1 87 87 SER CA C 13 57.913 0.3 . 1 . . . . . 87 SER CA . 51399 1 947 . 1 . 1 87 87 SER CB C 13 66.540 0.3 . 1 . . . . . 87 SER CB . 51399 1 948 . 1 . 1 87 87 SER N N 15 110.354 0.3 . 1 . . . . . 87 SER N . 51399 1 949 . 1 . 1 88 88 TRP H H 1 7.586 0.020 . 1 . . . . . 88 TRP H . 51399 1 950 . 1 . 1 88 88 TRP HA H 1 3.754 0.020 . 1 . . . . . 88 TRP HA . 51399 1 951 . 1 . 1 88 88 TRP HB2 H 1 3.482 0.020 . 2 . . . . . 88 TRP HB2 . 51399 1 952 . 1 . 1 88 88 TRP HB3 H 1 3.119 0.020 . 2 . . . . . 88 TRP HB3 . 51399 1 953 . 1 . 1 88 88 TRP C C 13 176.265 0.3 . 1 . . . . . 88 TRP C . 51399 1 954 . 1 . 1 88 88 TRP CA C 13 58.867 0.3 . 1 . . . . . 88 TRP CA . 51399 1 955 . 1 . 1 88 88 TRP CB C 13 26.337 0.3 . 1 . . . . . 88 TRP CB . 51399 1 956 . 1 . 1 88 88 TRP N N 15 120.713 0.3 . 1 . . . . . 88 TRP N . 51399 1 957 . 1 . 1 89 89 ASN H H 1 8.725 0.020 . 1 . . . . . 89 ASN H . 51399 1 958 . 1 . 1 89 89 ASN HA H 1 5.019 0.020 . 1 . . . . . 89 ASN HA . 51399 1 959 . 1 . 1 89 89 ASN HB2 H 1 3.275 0.020 . 2 . . . . . 89 ASN HB2 . 51399 1 960 . 1 . 1 89 89 ASN HB3 H 1 3.207 0.020 . 2 . . . . . 89 ASN HB3 . 51399 1 961 . 1 . 1 89 89 ASN C C 13 175.883 0.3 . 1 . . . . . 89 ASN C . 51399 1 962 . 1 . 1 89 89 ASN CA C 13 54.402 0.3 . 1 . . . . . 89 ASN CA . 51399 1 963 . 1 . 1 89 89 ASN CB C 13 37.907 0.3 . 1 . . . . . 89 ASN CB . 51399 1 964 . 1 . 1 89 89 ASN N N 15 118.873 0.3 . 1 . . . . . 89 ASN N . 51399 1 965 . 1 . 1 90 90 LEU H H 1 8.032 0.020 . 1 . . . . . 90 LEU H . 51399 1 966 . 1 . 1 90 90 LEU HA H 1 4.310 0.020 . 1 . . . . . 90 LEU HA . 51399 1 967 . 1 . 1 90 90 LEU HB2 H 1 1.738 0.020 . 2 . . . . . 90 LEU HB2 . 51399 1 968 . 1 . 1 90 90 LEU HB3 H 1 1.903 0.020 . 2 . . . . . 90 LEU HB3 . 51399 1 969 . 1 . 1 90 90 LEU HG H 1 0.841 0.020 . 1 . . . . . 90 LEU HG . 51399 1 970 . 1 . 1 90 90 LEU HD11 H 1 1.035 0.020 . 2 . . . . . 90 LEU HD1 . 51399 1 971 . 1 . 1 90 90 LEU HD12 H 1 1.035 0.020 . 2 . . . . . 90 LEU HD1 . 51399 1 972 . 1 . 1 90 90 LEU HD13 H 1 1.035 0.020 . 2 . . . . . 90 LEU HD1 . 51399 1 973 . 1 . 1 90 90 LEU HD21 H 1 1.033 0.020 . 2 . . . . . 90 LEU HD2 . 51399 1 974 . 1 . 1 90 90 LEU HD22 H 1 1.033 0.020 . 2 . . . . . 90 LEU HD2 . 51399 1 975 . 1 . 1 90 90 LEU HD23 H 1 1.033 0.020 . 2 . . . . . 90 LEU HD2 . 51399 1 976 . 1 . 1 90 90 LEU C C 13 175.966 0.3 . 1 . . . . . 90 LEU C . 51399 1 977 . 1 . 1 90 90 LEU CA C 13 55.243 0.3 . 1 . . . . . 90 LEU CA . 51399 1 978 . 1 . 1 90 90 LEU CB C 13 43.042 0.3 . 1 . . . . . 90 LEU CB . 51399 1 979 . 1 . 1 90 90 LEU CG C 13 26.565 0.3 . 1 . . . . . 90 LEU CG . 51399 1 980 . 1 . 1 90 90 LEU CD1 C 13 22.831 0.3 . 1 . . . . . 90 LEU CD1 . 51399 1 981 . 1 . 1 90 90 LEU CD2 C 13 22.514 0.3 . 1 . . . . . 90 LEU CD2 . 51399 1 982 . 1 . 1 90 90 LEU N N 15 118.845 0.3 . 1 . . . . . 90 LEU N . 51399 1 983 . 1 . 1 91 91 ASP H H 1 8.622 0.020 . 1 . . . . . 91 ASP H . 51399 1 984 . 1 . 1 91 91 ASP HA H 1 4.763 0.020 . 1 . . . . . 91 ASP HA . 51399 1 985 . 1 . 1 91 91 ASP HB2 H 1 2.832 0.020 . 2 . . . . . 91 ASP HB2 . 51399 1 986 . 1 . 1 91 91 ASP HB3 H 1 2.531 0.020 . 2 . . . . . 91 ASP HB3 . 51399 1 987 . 1 . 1 91 91 ASP C C 13 175.763 0.3 . 1 . . . . . 91 ASP C . 51399 1 988 . 1 . 1 91 91 ASP CA C 13 54.779 0.3 . 1 . . . . . 91 ASP CA . 51399 1 989 . 1 . 1 91 91 ASP CB C 13 41.170 0.3 . 1 . . . . . 91 ASP CB . 51399 1 990 . 1 . 1 91 91 ASP N N 15 118.210 0.3 . 1 . . . . . 91 ASP N . 51399 1 991 . 1 . 1 92 92 CYS H H 1 7.019 0.020 . 1 . . . . . 92 CYS H . 51399 1 992 . 1 . 1 92 92 CYS HA H 1 5.102 0.020 . 1 . . . . . 92 CYS HA . 51399 1 993 . 1 . 1 92 92 CYS HB2 H 1 2.805 0.020 . 2 . . . . . 92 CYS HB2 . 51399 1 994 . 1 . 1 92 92 CYS HB3 H 1 2.592 0.020 . 2 . . . . . 92 CYS HB3 . 51399 1 995 . 1 . 1 92 92 CYS C C 13 173.160 0.3 . 1 . . . . . 92 CYS C . 51399 1 996 . 1 . 1 92 92 CYS CA C 13 55.294 0.3 . 1 . . . . . 92 CYS CA . 51399 1 997 . 1 . 1 92 92 CYS CB C 13 29.749 0.3 . 1 . . . . . 92 CYS CB . 51399 1 998 . 1 . 1 92 92 CYS N N 15 114.528 0.3 . 1 . . . . . 92 CYS N . 51399 1 999 . 1 . 1 93 93 ARG H H 1 8.645 0.020 . 1 . . . . . 93 ARG H . 51399 1 1000 . 1 . 1 93 93 ARG HA H 1 4.244 0.020 . 1 . . . . . 93 ARG HA . 51399 1 1001 . 1 . 1 93 93 ARG HB2 H 1 1.915 0.020 . 2 . . . . . 93 ARG HB2 . 51399 1 1002 . 1 . 1 93 93 ARG HB3 H 1 1.539 0.020 . 2 . . . . . 93 ARG HB3 . 51399 1 1003 . 1 . 1 93 93 ARG HG2 H 1 1.532 0.020 . 2 . . . . . 93 ARG HG2 . 51399 1 1004 . 1 . 1 93 93 ARG HG3 H 1 1.395 0.020 . 2 . . . . . 93 ARG HG3 . 51399 1 1005 . 1 . 1 93 93 ARG HD2 H 1 3.061 0.020 . 1 . . . . . 93 ARG HD2 . 51399 1 1006 . 1 . 1 93 93 ARG HD3 H 1 3.061 0.020 . 1 . . . . . 93 ARG HD3 . 51399 1 1007 . 1 . 1 93 93 ARG C C 13 175.978 0.3 . 1 . . . . . 93 ARG C . 51399 1 1008 . 1 . 1 93 93 ARG CA C 13 57.690 0.3 . 1 . . . . . 93 ARG CA . 51399 1 1009 . 1 . 1 93 93 ARG CB C 13 31.435 0.3 . 1 . . . . . 93 ARG CB . 51399 1 1010 . 1 . 1 93 93 ARG CG C 13 26.634 0.3 . 1 . . . . . 93 ARG CG . 51399 1 1011 . 1 . 1 93 93 ARG CD C 13 42.845 0.3 . 1 . . . . . 93 ARG CD . 51399 1 1012 . 1 . 1 93 93 ARG N N 15 118.828 0.3 . 1 . . . . . 93 ARG N . 51399 1 1013 . 1 . 1 94 94 TYR H H 1 7.795 0.020 . 1 . . . . . 94 TYR H . 51399 1 1014 . 1 . 1 94 94 TYR HA H 1 5.080 0.020 . 1 . . . . . 94 TYR HA . 51399 1 1015 . 1 . 1 94 94 TYR HB2 H 1 3.000 0.020 . 2 . . . . . 94 TYR HB2 . 51399 1 1016 . 1 . 1 94 94 TYR HB3 H 1 2.244 0.020 . 2 . . . . . 94 TYR HB3 . 51399 1 1017 . 1 . 1 94 94 TYR C C 13 173.590 0.3 . 1 . . . . . 94 TYR C . 51399 1 1018 . 1 . 1 94 94 TYR CA C 13 56.297 0.3 . 1 . . . . . 94 TYR CA . 51399 1 1019 . 1 . 1 94 94 TYR CB C 13 43.852 0.3 . 1 . . . . . 94 TYR CB . 51399 1 1020 . 1 . 1 94 94 TYR N N 15 112.155 0.3 . 1 . . . . . 94 TYR N . 51399 1 1021 . 1 . 1 95 95 VAL H H 1 8.616 0.020 . 1 . . . . . 95 VAL H . 51399 1 1022 . 1 . 1 95 95 VAL HA H 1 4.745 0.020 . 1 . . . . . 95 VAL HA . 51399 1 1023 . 1 . 1 95 95 VAL HB H 1 1.598 0.020 . 1 . . . . . 95 VAL HB . 51399 1 1024 . 1 . 1 95 95 VAL HG11 H 1 0.507 0.020 . 1 . . . . . 95 VAL HG1 . 51399 1 1025 . 1 . 1 95 95 VAL HG12 H 1 0.507 0.020 . 1 . . . . . 95 VAL HG1 . 51399 1 1026 . 1 . 1 95 95 VAL HG13 H 1 0.507 0.020 . 1 . . . . . 95 VAL HG1 . 51399 1 1027 . 1 . 1 95 95 VAL HG21 H 1 -0.070 0.020 . 1 . . . . . 95 VAL HG2 . 51399 1 1028 . 1 . 1 95 95 VAL HG22 H 1 -0.070 0.020 . 1 . . . . . 95 VAL HG2 . 51399 1 1029 . 1 . 1 95 95 VAL HG23 H 1 -0.070 0.020 . 1 . . . . . 95 VAL HG2 . 51399 1 1030 . 1 . 1 95 95 VAL C C 13 174.462 0.3 . 1 . . . . . 95 VAL C . 51399 1 1031 . 1 . 1 95 95 VAL CA C 13 59.863 0.3 . 1 . . . . . 95 VAL CA . 51399 1 1032 . 1 . 1 95 95 VAL CB C 13 33.229 0.3 . 1 . . . . . 95 VAL CB . 51399 1 1033 . 1 . 1 95 95 VAL CG1 C 13 21.871 0.3 . 1 . . . . . 95 VAL CG1 . 51399 1 1034 . 1 . 1 95 95 VAL CG2 C 13 20.017 0.3 . 1 . . . . . 95 VAL CG2 . 51399 1 1035 . 1 . 1 95 95 VAL N N 15 120.440 0.3 . 1 . . . . . 95 VAL N . 51399 1 1036 . 1 . 1 96 96 LEU H H 1 8.529 0.020 . 1 . . . . . 96 LEU H . 51399 1 1037 . 1 . 1 96 96 LEU HA H 1 5.042 0.020 . 1 . . . . . 96 LEU HA . 51399 1 1038 . 1 . 1 96 96 LEU HB2 H 1 1.662 0.020 . 2 . . . . . 96 LEU HB2 . 51399 1 1039 . 1 . 1 96 96 LEU HB3 H 1 1.050 0.020 . 2 . . . . . 96 LEU HB3 . 51399 1 1040 . 1 . 1 96 96 LEU HG H 1 0.713 0.020 . 1 . . . . . 96 LEU HG . 51399 1 1041 . 1 . 1 96 96 LEU HD11 H 1 0.676 0.020 . 2 . . . . . 96 LEU HD1 . 51399 1 1042 . 1 . 1 96 96 LEU HD12 H 1 0.676 0.020 . 2 . . . . . 96 LEU HD1 . 51399 1 1043 . 1 . 1 96 96 LEU HD13 H 1 0.676 0.020 . 2 . . . . . 96 LEU HD1 . 51399 1 1044 . 1 . 1 96 96 LEU HD21 H 1 0.672 0.020 . 2 . . . . . 96 LEU HD2 . 51399 1 1045 . 1 . 1 96 96 LEU HD22 H 1 0.672 0.020 . 2 . . . . . 96 LEU HD2 . 51399 1 1046 . 1 . 1 96 96 LEU HD23 H 1 0.672 0.020 . 2 . . . . . 96 LEU HD2 . 51399 1 1047 . 1 . 1 96 96 LEU C C 13 173.737 0.3 . 1 . . . . . 96 LEU C . 51399 1 1048 . 1 . 1 96 96 LEU CA C 13 52.007 0.3 . 1 . . . . . 96 LEU CA . 51399 1 1049 . 1 . 1 96 96 LEU CB C 13 41.616 0.3 . 1 . . . . . 96 LEU CB . 51399 1 1050 . 1 . 1 96 96 LEU CG C 13 27.194 0.3 . 1 . . . . . 96 LEU CG . 51399 1 1051 . 1 . 1 96 96 LEU CD1 C 13 22.196 0.3 . 1 . . . . . 96 LEU CD1 . 51399 1 1052 . 1 . 1 96 96 LEU CD2 C 13 21.930 0.3 . 1 . . . . . 96 LEU CD2 . 51399 1 1053 . 1 . 1 96 96 LEU N N 15 124.258 0.3 . 1 . . . . . 96 LEU N . 51399 1 1054 . 1 . 1 97 97 HIS H H 1 9.660 0.020 . 1 . . . . . 97 HIS H . 51399 1 1055 . 1 . 1 97 97 HIS HA H 1 4.685 0.020 . 1 . . . . . 97 HIS HA . 51399 1 1056 . 1 . 1 97 97 HIS HB2 H 1 2.959 0.020 . 2 . . . . . 97 HIS HB2 . 51399 1 1057 . 1 . 1 97 97 HIS HB3 H 1 2.860 0.020 . 2 . . . . . 97 HIS HB3 . 51399 1 1058 . 1 . 1 97 97 HIS CA C 13 54.673 0.3 . 1 . . . . . 97 HIS CA . 51399 1 1059 . 1 . 1 97 97 HIS CB C 13 31.724 0.3 . 1 . . . . . 97 HIS CB . 51399 1 1060 . 1 . 1 97 97 HIS N N 15 125.347 0.3 . 1 . . . . . 97 HIS N . 51399 1 1061 . 1 . 1 98 98 VAL H H 1 8.931 0.020 . 1 . . . . . 98 VAL H . 51399 1 1062 . 1 . 1 98 98 VAL HA H 1 5.515 0.020 . 1 . . . . . 98 VAL HA . 51399 1 1063 . 1 . 1 98 98 VAL HB H 1 1.895 0.020 . 1 . . . . . 98 VAL HB . 51399 1 1064 . 1 . 1 98 98 VAL HG11 H 1 0.802 0.020 . 1 . . . . . 98 VAL HG1 . 51399 1 1065 . 1 . 1 98 98 VAL HG12 H 1 0.802 0.020 . 1 . . . . . 98 VAL HG1 . 51399 1 1066 . 1 . 1 98 98 VAL HG13 H 1 0.802 0.020 . 1 . . . . . 98 VAL HG1 . 51399 1 1067 . 1 . 1 98 98 VAL HG21 H 1 0.970 0.020 . 1 . . . . . 98 VAL HG2 . 51399 1 1068 . 1 . 1 98 98 VAL HG22 H 1 0.970 0.020 . 1 . . . . . 98 VAL HG2 . 51399 1 1069 . 1 . 1 98 98 VAL HG23 H 1 0.970 0.020 . 1 . . . . . 98 VAL HG2 . 51399 1 1070 . 1 . 1 98 98 VAL CA C 13 57.244 0.3 . 1 . . . . . 98 VAL CA . 51399 1 1071 . 1 . 1 98 98 VAL CB C 13 32.822 0.3 . 1 . . . . . 98 VAL CB . 51399 1 1072 . 1 . 1 98 98 VAL CG1 C 13 22.221 0.3 . 1 . . . . . 98 VAL CG1 . 51399 1 1073 . 1 . 1 98 98 VAL CG2 C 13 19.103 0.3 . 1 . . . . . 98 VAL CG2 . 51399 1 1074 . 1 . 1 98 98 VAL N N 15 117.945 0.3 . 1 . . . . . 98 VAL N . 51399 1 1075 . 1 . 1 106 106 GLY HA2 H 1 3.248 0.020 . 1 . . . . . 106 GLY HA1 . 51399 1 1076 . 1 . 1 106 106 GLY HA3 H 1 3.248 0.020 . 1 . . . . . 106 GLY HA2 . 51399 1 1077 . 1 . 1 106 106 GLY C C 13 174.008 0.3 . 1 . . . . . 106 GLY C . 51399 1 1078 . 1 . 1 106 106 GLY CA C 13 44.954 0.3 . 1 . . . . . 106 GLY CA . 51399 1 1079 . 1 . 1 107 107 SER H H 1 6.890 0.020 . 1 . . . . . 107 SER H . 51399 1 1080 . 1 . 1 107 107 SER HA H 1 4.122 0.020 . 1 . . . . . 107 SER HA . 51399 1 1081 . 1 . 1 107 107 SER HB2 H 1 3.917 0.020 . 2 . . . . . 107 SER HB2 . 51399 1 1082 . 1 . 1 107 107 SER HB3 H 1 3.706 0.020 . 2 . . . . . 107 SER HB3 . 51399 1 1083 . 1 . 1 107 107 SER C C 13 175.835 0.3 . 1 . . . . . 107 SER C . 51399 1 1084 . 1 . 1 107 107 SER CA C 13 57.902 0.3 . 1 . . . . . 107 SER CA . 51399 1 1085 . 1 . 1 107 107 SER CB C 13 63.817 0.3 . 1 . . . . . 107 SER CB . 51399 1 1086 . 1 . 1 107 107 SER N N 15 114.221 0.3 . 1 . . . . . 107 SER N . 51399 1 1087 . 1 . 1 108 108 THR H H 1 8.652 0.020 . 1 . . . . . 108 THR H . 51399 1 1088 . 1 . 1 108 108 THR HA H 1 3.959 0.020 . 1 . . . . . 108 THR HA . 51399 1 1089 . 1 . 1 108 108 THR HB H 1 4.241 0.020 . 1 . . . . . 108 THR HB . 51399 1 1090 . 1 . 1 108 108 THR HG21 H 1 1.299 0.020 . 1 . . . . . 108 THR HG2 . 51399 1 1091 . 1 . 1 108 108 THR HG22 H 1 1.299 0.020 . 1 . . . . . 108 THR HG2 . 51399 1 1092 . 1 . 1 108 108 THR HG23 H 1 1.299 0.020 . 1 . . . . . 108 THR HG2 . 51399 1 1093 . 1 . 1 108 108 THR C C 13 176.946 0.3 . 1 . . . . . 108 THR C . 51399 1 1094 . 1 . 1 108 108 THR CA C 13 65.434 0.3 . 1 . . . . . 108 THR CA . 51399 1 1095 . 1 . 1 108 108 THR CB C 13 68.633 0.3 . 1 . . . . . 108 THR CB . 51399 1 1096 . 1 . 1 108 108 THR CG2 C 13 21.904 0.3 . 1 . . . . . 108 THR CG2 . 51399 1 1097 . 1 . 1 108 108 THR N N 15 120.418 0.3 . 1 . . . . . 108 THR N . 51399 1 1098 . 1 . 1 109 109 SER H H 1 8.175 0.020 . 1 . . . . . 109 SER H . 51399 1 1099 . 1 . 1 109 109 SER HA H 1 4.769 0.020 . 1 . . . . . 109 SER HA . 51399 1 1100 . 1 . 1 109 109 SER HB2 H 1 3.882 0.020 . 1 . . . . . 109 SER HB2 . 51399 1 1101 . 1 . 1 109 109 SER HB3 H 1 3.882 0.020 . 1 . . . . . 109 SER HB3 . 51399 1 1102 . 1 . 1 109 109 SER CA C 13 60.969 0.3 . 1 . . . . . 109 SER CA . 51399 1 1103 . 1 . 1 109 109 SER CB C 13 62.468 0.3 . 1 . . . . . 109 SER CB . 51399 1 1104 . 1 . 1 109 109 SER N N 15 116.277 0.3 . 1 . . . . . 109 SER N . 51399 1 1105 . 1 . 1 110 110 SER HA H 1 3.813 0.020 . 1 . . . . . 110 SER HA . 51399 1 1106 . 1 . 1 110 110 SER HB2 H 1 3.971 0.020 . 1 . . . . . 110 SER HB2 . 51399 1 1107 . 1 . 1 110 110 SER HB3 H 1 3.971 0.020 . 1 . . . . . 110 SER HB3 . 51399 1 1108 . 1 . 1 110 110 SER C C 13 175.501 0.3 . 1 . . . . . 110 SER C . 51399 1 1109 . 1 . 1 110 110 SER CA C 13 62.526 0.3 . 1 . . . . . 110 SER CA . 51399 1 1110 . 1 . 1 110 110 SER CB C 13 63.771 0.3 . 1 . . . . . 110 SER CB . 51399 1 1111 . 1 . 1 111 111 LEU H H 1 7.645 0.020 . 1 . . . . . 111 LEU H . 51399 1 1112 . 1 . 1 111 111 LEU HA H 1 4.122 0.020 . 1 . . . . . 111 LEU HA . 51399 1 1113 . 1 . 1 111 111 LEU HB2 H 1 1.873 0.020 . 2 . . . . . 111 LEU HB2 . 51399 1 1114 . 1 . 1 111 111 LEU HB3 H 1 1.720 0.020 . 2 . . . . . 111 LEU HB3 . 51399 1 1115 . 1 . 1 111 111 LEU HG H 1 1.757 0.020 . 1 . . . . . 111 LEU HG . 51399 1 1116 . 1 . 1 111 111 LEU HD11 H 1 0.965 0.020 . 2 . . . . . 111 LEU HD1 . 51399 1 1117 . 1 . 1 111 111 LEU HD12 H 1 0.965 0.020 . 2 . . . . . 111 LEU HD1 . 51399 1 1118 . 1 . 1 111 111 LEU HD13 H 1 0.965 0.020 . 2 . . . . . 111 LEU HD1 . 51399 1 1119 . 1 . 1 111 111 LEU HD21 H 1 1.087 0.020 . 2 . . . . . 111 LEU HD2 . 51399 1 1120 . 1 . 1 111 111 LEU HD22 H 1 1.087 0.020 . 2 . . . . . 111 LEU HD2 . 51399 1 1121 . 1 . 1 111 111 LEU HD23 H 1 1.087 0.020 . 2 . . . . . 111 LEU HD2 . 51399 1 1122 . 1 . 1 111 111 LEU C C 13 177.961 0.3 . 1 . . . . . 111 LEU C . 51399 1 1123 . 1 . 1 111 111 LEU CA C 13 59.048 0.3 . 1 . . . . . 111 LEU CA . 51399 1 1124 . 1 . 1 111 111 LEU CB C 13 41.606 0.3 . 1 . . . . . 111 LEU CB . 51399 1 1125 . 1 . 1 111 111 LEU CG C 13 27.226 0.3 . 1 . . . . . 111 LEU CG . 51399 1 1126 . 1 . 1 111 111 LEU CD1 C 13 25.608 0.3 . 1 . . . . . 111 LEU CD1 . 51399 1 1127 . 1 . 1 111 111 LEU CD2 C 13 24.399 0.3 . 1 . . . . . 111 LEU CD2 . 51399 1 1128 . 1 . 1 111 111 LEU N N 15 121.357 0.3 . 1 . . . . . 111 LEU N . 51399 1 1129 . 1 . 1 112 112 LYS H H 1 7.737 0.020 . 1 . . . . . 112 LYS H . 51399 1 1130 . 1 . 1 112 112 LYS HA H 1 4.036 0.020 . 1 . . . . . 112 LYS HA . 51399 1 1131 . 1 . 1 112 112 LYS HB2 H 1 1.976 0.020 . 1 . . . . . 112 LYS HB2 . 51399 1 1132 . 1 . 1 112 112 LYS HB3 H 1 1.976 0.020 . 1 . . . . . 112 LYS HB3 . 51399 1 1133 . 1 . 1 112 112 LYS HG2 H 1 1.518 0.020 . 1 . . . . . 112 LYS HG2 . 51399 1 1134 . 1 . 1 112 112 LYS HG3 H 1 1.518 0.020 . 1 . . . . . 112 LYS HG3 . 51399 1 1135 . 1 . 1 112 112 LYS HD2 H 1 1.744 0.020 . 1 . . . . . 112 LYS HD2 . 51399 1 1136 . 1 . 1 112 112 LYS HD3 H 1 1.744 0.020 . 1 . . . . . 112 LYS HD3 . 51399 1 1137 . 1 . 1 112 112 LYS HE2 H 1 2.986 0.020 . 1 . . . . . 112 LYS HE2 . 51399 1 1138 . 1 . 1 112 112 LYS HE3 H 1 2.986 0.020 . 1 . . . . . 112 LYS HE3 . 51399 1 1139 . 1 . 1 112 112 LYS C C 13 178.381 0.3 . 1 . . . . . 112 LYS C . 51399 1 1140 . 1 . 1 112 112 LYS CA C 13 58.898 0.3 . 1 . . . . . 112 LYS CA . 51399 1 1141 . 1 . 1 112 112 LYS CB C 13 32.207 0.3 . 1 . . . . . 112 LYS CB . 51399 1 1142 . 1 . 1 112 112 LYS CG C 13 24.707 0.3 . 1 . . . . . 112 LYS CG . 51399 1 1143 . 1 . 1 112 112 LYS CD C 13 28.466 0.3 . 1 . . . . . 112 LYS CD . 51399 1 1144 . 1 . 1 112 112 LYS CE C 13 42.201 0.3 . 1 . . . . . 112 LYS CE . 51399 1 1145 . 1 . 1 112 112 LYS N N 15 118.308 0.3 . 1 . . . . . 112 LYS N . 51399 1 1146 . 1 . 1 113 113 ILE H H 1 8.148 0.020 . 1 . . . . . 113 ILE H . 51399 1 1147 . 1 . 1 113 113 ILE HA H 1 3.945 0.020 . 1 . . . . . 113 ILE HA . 51399 1 1148 . 1 . 1 113 113 ILE HB H 1 1.832 0.020 . 1 . . . . . 113 ILE HB . 51399 1 1149 . 1 . 1 113 113 ILE HG12 H 1 1.932 0.020 . 2 . . . . . 113 ILE HG12 . 51399 1 1150 . 1 . 1 113 113 ILE HG13 H 1 1.183 0.020 . 2 . . . . . 113 ILE HG13 . 51399 1 1151 . 1 . 1 113 113 ILE HG21 H 1 0.930 0.020 . 1 . . . . . 113 ILE HG2 . 51399 1 1152 . 1 . 1 113 113 ILE HG22 H 1 0.930 0.020 . 1 . . . . . 113 ILE HG2 . 51399 1 1153 . 1 . 1 113 113 ILE HG23 H 1 0.930 0.020 . 1 . . . . . 113 ILE HG2 . 51399 1 1154 . 1 . 1 113 113 ILE HD11 H 1 0.833 0.020 . 1 . . . . . 113 ILE HD1 . 51399 1 1155 . 1 . 1 113 113 ILE HD12 H 1 0.833 0.020 . 1 . . . . . 113 ILE HD1 . 51399 1 1156 . 1 . 1 113 113 ILE HD13 H 1 0.833 0.020 . 1 . . . . . 113 ILE HD1 . 51399 1 1157 . 1 . 1 113 113 ILE C C 13 178.104 0.3 . 1 . . . . . 113 ILE C . 51399 1 1158 . 1 . 1 113 113 ILE CA C 13 64.793 0.3 . 1 . . . . . 113 ILE CA . 51399 1 1159 . 1 . 1 113 113 ILE CB C 13 38.484 0.3 . 1 . . . . . 113 ILE CB . 51399 1 1160 . 1 . 1 113 113 ILE CG1 C 13 29.087 0.3 . 1 . . . . . 113 ILE CG1 . 51399 1 1161 . 1 . 1 113 113 ILE CG2 C 13 17.212 0.3 . 1 . . . . . 113 ILE CG2 . 51399 1 1162 . 1 . 1 113 113 ILE CD1 C 13 13.481 0.3 . 1 . . . . . 113 ILE CD1 . 51399 1 1163 . 1 . 1 113 113 ILE N N 15 117.646 0.3 . 1 . . . . . 113 ILE N . 51399 1 1164 . 1 . 1 114 114 MET H H 1 8.056 0.020 . 1 . . . . . 114 MET H . 51399 1 1165 . 1 . 1 114 114 MET HA H 1 4.404 0.020 . 1 . . . . . 114 MET HA . 51399 1 1166 . 1 . 1 114 114 MET HB2 H 1 2.396 0.020 . 1 . . . . . 114 MET HB2 . 51399 1 1167 . 1 . 1 114 114 MET HB3 H 1 2.396 0.020 . 1 . . . . . 114 MET HB3 . 51399 1 1168 . 1 . 1 114 114 MET HG2 H 1 2.406 0.020 . 1 . . . . . 114 MET HG2 . 51399 1 1169 . 1 . 1 114 114 MET HG3 H 1 2.406 0.020 . 1 . . . . . 114 MET HG3 . 51399 1 1170 . 1 . 1 114 114 MET C C 13 177.674 0.3 . 1 . . . . . 114 MET C . 51399 1 1171 . 1 . 1 114 114 MET CA C 13 58.173 0.3 . 1 . . . . . 114 MET CA . 51399 1 1172 . 1 . 1 114 114 MET CB C 13 33.162 0.3 . 1 . . . . . 114 MET CB . 51399 1 1173 . 1 . 1 114 114 MET CG C 13 33.465 0.3 . 1 . . . . . 114 MET CG . 51399 1 1174 . 1 . 1 114 114 MET N N 15 118.297 0.3 . 1 . . . . . 114 MET N . 51399 1 1175 . 1 . 1 115 115 GLU H H 1 8.315 0.020 . 1 . . . . . 115 GLU H . 51399 1 1176 . 1 . 1 115 115 GLU HA H 1 3.609 0.020 . 1 . . . . . 115 GLU HA . 51399 1 1177 . 1 . 1 115 115 GLU HB2 H 1 2.358 0.020 . 2 . . . . . 115 GLU HB2 . 51399 1 1178 . 1 . 1 115 115 GLU HB3 H 1 2.131 0.020 . 2 . . . . . 115 GLU HB3 . 51399 1 1179 . 1 . 1 115 115 GLU HG2 H 1 2.581 0.020 . 1 . . . . . 115 GLU HG2 . 51399 1 1180 . 1 . 1 115 115 GLU HG3 H 1 2.581 0.020 . 1 . . . . . 115 GLU HG3 . 51399 1 1181 . 1 . 1 115 115 GLU C C 13 177.913 0.3 . 1 . . . . . 115 GLU C . 51399 1 1182 . 1 . 1 115 115 GLU CA C 13 60.475 0.3 . 1 . . . . . 115 GLU CA . 51399 1 1183 . 1 . 1 115 115 GLU CB C 13 29.414 0.3 . 1 . . . . . 115 GLU CB . 51399 1 1184 . 1 . 1 115 115 GLU CG C 13 35.656 0.3 . 1 . . . . . 115 GLU CG . 51399 1 1185 . 1 . 1 115 115 GLU N N 15 118.607 0.3 . 1 . . . . . 115 GLU N . 51399 1 1186 . 1 . 1 116 116 ASP H H 1 8.351 0.020 . 1 . . . . . 116 ASP H . 51399 1 1187 . 1 . 1 116 116 ASP HA H 1 4.357 0.020 . 1 . . . . . 116 ASP HA . 51399 1 1188 . 1 . 1 116 116 ASP HB2 H 1 3.133 0.020 . 2 . . . . . 116 ASP HB2 . 51399 1 1189 . 1 . 1 116 116 ASP HB3 H 1 2.706 0.020 . 2 . . . . . 116 ASP HB3 . 51399 1 1190 . 1 . 1 116 116 ASP CA C 13 57.582 0.3 . 1 . . . . . 116 ASP CA . 51399 1 1191 . 1 . 1 116 116 ASP CB C 13 39.909 0.3 . 1 . . . . . 116 ASP CB . 51399 1 1192 . 1 . 1 116 116 ASP N N 15 118.669 0.3 . 1 . . . . . 116 ASP N . 51399 1 1193 . 1 . 1 117 117 ILE H H 1 8.540 0.020 . 1 . . . . . 117 ILE H . 51399 1 1194 . 1 . 1 117 117 ILE HA H 1 3.684 0.020 . 1 . . . . . 117 ILE HA . 51399 1 1195 . 1 . 1 117 117 ILE HB H 1 2.184 0.020 . 1 . . . . . 117 ILE HB . 51399 1 1196 . 1 . 1 117 117 ILE HG12 H 1 0.819 0.020 . 1 . . . . . 117 ILE HG12 . 51399 1 1197 . 1 . 1 117 117 ILE HG13 H 1 0.819 0.020 . 1 . . . . . 117 ILE HG13 . 51399 1 1198 . 1 . 1 117 117 ILE HG21 H 1 0.835 0.020 . 1 . . . . . 117 ILE HG2 . 51399 1 1199 . 1 . 1 117 117 ILE HG22 H 1 0.835 0.020 . 1 . . . . . 117 ILE HG2 . 51399 1 1200 . 1 . 1 117 117 ILE HG23 H 1 0.835 0.020 . 1 . . . . . 117 ILE HG2 . 51399 1 1201 . 1 . 1 117 117 ILE HD11 H 1 0.891 0.020 . 1 . . . . . 117 ILE HD1 . 51399 1 1202 . 1 . 1 117 117 ILE HD12 H 1 0.891 0.020 . 1 . . . . . 117 ILE HD1 . 51399 1 1203 . 1 . 1 117 117 ILE HD13 H 1 0.891 0.020 . 1 . . . . . 117 ILE HD1 . 51399 1 1204 . 1 . 1 117 117 ILE C C 13 178.176 0.3 . 1 . . . . . 117 ILE C . 51399 1 1205 . 1 . 1 117 117 ILE CA C 13 65.643 0.3 . 1 . . . . . 117 ILE CA . 51399 1 1206 . 1 . 1 117 117 ILE CB C 13 38.465 0.3 . 1 . . . . . 117 ILE CB . 51399 1 1207 . 1 . 1 117 117 ILE CG1 C 13 29.397 0.3 . 1 . . . . . 117 ILE CG1 . 51399 1 1208 . 1 . 1 117 117 ILE CG2 C 13 17.535 0.3 . 1 . . . . . 117 ILE CG2 . 51399 1 1209 . 1 . 1 117 117 ILE CD1 C 13 15.033 0.3 . 1 . . . . . 117 ILE CD1 . 51399 1 1210 . 1 . 1 117 117 ILE N N 15 121.423 0.3 . 1 . . . . . 117 ILE N . 51399 1 1211 . 1 . 1 118 118 ILE H H 1 7.962 0.020 . 1 . . . . . 118 ILE H . 51399 1 1212 . 1 . 1 118 118 ILE HA H 1 3.540 0.020 . 1 . . . . . 118 ILE HA . 51399 1 1213 . 1 . 1 118 118 ILE HB H 1 1.838 0.020 . 1 . . . . . 118 ILE HB . 51399 1 1214 . 1 . 1 118 118 ILE HG12 H 1 0.966 0.020 . 1 . . . . . 118 ILE HG12 . 51399 1 1215 . 1 . 1 118 118 ILE HG13 H 1 0.966 0.020 . 1 . . . . . 118 ILE HG13 . 51399 1 1216 . 1 . 1 118 118 ILE HG21 H 1 0.636 0.020 . 1 . . . . . 118 ILE HG2 . 51399 1 1217 . 1 . 1 118 118 ILE HG22 H 1 0.636 0.020 . 1 . . . . . 118 ILE HG2 . 51399 1 1218 . 1 . 1 118 118 ILE HG23 H 1 0.636 0.020 . 1 . . . . . 118 ILE HG2 . 51399 1 1219 . 1 . 1 118 118 ILE HD11 H 1 0.590 0.020 . 1 . . . . . 118 ILE HD1 . 51399 1 1220 . 1 . 1 118 118 ILE HD12 H 1 0.590 0.020 . 1 . . . . . 118 ILE HD1 . 51399 1 1221 . 1 . 1 118 118 ILE HD13 H 1 0.590 0.020 . 1 . . . . . 118 ILE HD1 . 51399 1 1222 . 1 . 1 118 118 ILE C C 13 177.579 0.3 . 1 . . . . . 118 ILE C . 51399 1 1223 . 1 . 1 118 118 ILE CA C 13 65.774 0.3 . 1 . . . . . 118 ILE CA . 51399 1 1224 . 1 . 1 118 118 ILE CB C 13 38.420 0.3 . 1 . . . . . 118 ILE CB . 51399 1 1225 . 1 . 1 118 118 ILE CG1 C 13 28.806 0.3 . 1 . . . . . 118 ILE CG1 . 51399 1 1226 . 1 . 1 118 118 ILE CG2 C 13 17.237 0.3 . 1 . . . . . 118 ILE CG2 . 51399 1 1227 . 1 . 1 118 118 ILE CD1 C 13 13.467 0.3 . 1 . . . . . 118 ILE CD1 . 51399 1 1228 . 1 . 1 118 118 ILE N N 15 120.865 0.3 . 1 . . . . . 118 ILE N . 51399 1 1229 . 1 . 1 119 119 ARG H H 1 8.207 0.020 . 1 . . . . . 119 ARG H . 51399 1 1230 . 1 . 1 119 119 ARG HA H 1 3.691 0.020 . 1 . . . . . 119 ARG HA . 51399 1 1231 . 1 . 1 119 119 ARG HB2 H 1 2.176 0.020 . 2 . . . . . 119 ARG HB2 . 51399 1 1232 . 1 . 1 119 119 ARG HB3 H 1 1.990 0.020 . 2 . . . . . 119 ARG HB3 . 51399 1 1233 . 1 . 1 119 119 ARG HG2 H 1 1.752 0.020 . 1 . . . . . 119 ARG HG2 . 51399 1 1234 . 1 . 1 119 119 ARG HG3 H 1 1.752 0.020 . 1 . . . . . 119 ARG HG3 . 51399 1 1235 . 1 . 1 119 119 ARG HD2 H 1 3.439 0.020 . 2 . . . . . 119 ARG HD2 . 51399 1 1236 . 1 . 1 119 119 ARG HD3 H 1 3.346 0.020 . 2 . . . . . 119 ARG HD3 . 51399 1 1237 . 1 . 1 119 119 ARG C C 13 178.510 0.3 . 1 . . . . . 119 ARG C . 51399 1 1238 . 1 . 1 119 119 ARG CA C 13 60.328 0.3 . 1 . . . . . 119 ARG CA . 51399 1 1239 . 1 . 1 119 119 ARG CB C 13 29.740 0.3 . 1 . . . . . 119 ARG CB . 51399 1 1240 . 1 . 1 119 119 ARG CG C 13 27.531 0.3 . 1 . . . . . 119 ARG CG . 51399 1 1241 . 1 . 1 119 119 ARG CD C 13 43.148 0.3 . 1 . . . . . 119 ARG CD . 51399 1 1242 . 1 . 1 119 119 ARG N N 15 118.742 0.3 . 1 . . . . . 119 ARG N . 51399 1 1243 . 1 . 1 120 120 GLU H H 1 8.830 0.020 . 1 . . . . . 120 GLU H . 51399 1 1244 . 1 . 1 120 120 GLU HA H 1 4.071 0.020 . 1 . . . . . 120 GLU HA . 51399 1 1245 . 1 . 1 120 120 GLU HB2 H 1 2.288 0.020 . 2 . . . . . 120 GLU HB2 . 51399 1 1246 . 1 . 1 120 120 GLU HB3 H 1 2.124 0.020 . 2 . . . . . 120 GLU HB3 . 51399 1 1247 . 1 . 1 120 120 GLU HG2 H 1 2.327 0.020 . 2 . . . . . 120 GLU HG2 . 51399 1 1248 . 1 . 1 120 120 GLU HG3 H 1 2.502 0.020 . 2 . . . . . 120 GLU HG3 . 51399 1 1249 . 1 . 1 120 120 GLU C C 13 179.023 0.3 . 1 . . . . . 120 GLU C . 51399 1 1250 . 1 . 1 120 120 GLU CA C 13 59.561 0.3 . 1 . . . . . 120 GLU CA . 51399 1 1251 . 1 . 1 120 120 GLU CB C 13 28.789 0.3 . 1 . . . . . 120 GLU CB . 51399 1 1252 . 1 . 1 120 120 GLU CG C 13 35.334 0.3 . 1 . . . . . 120 GLU CG . 51399 1 1253 . 1 . 1 120 120 GLU N N 15 119.380 0.3 . 1 . . . . . 120 GLU N . 51399 1 1254 . 1 . 1 121 121 CYS H H 1 8.483 0.020 . 1 . . . . . 121 CYS H . 51399 1 1255 . 1 . 1 121 121 CYS HA H 1 3.945 0.020 . 1 . . . . . 121 CYS HA . 51399 1 1256 . 1 . 1 121 121 CYS HB2 H 1 3.366 0.020 . 1 . . . . . 121 CYS HB2 . 51399 1 1257 . 1 . 1 121 121 CYS HB3 H 1 3.366 0.020 . 1 . . . . . 121 CYS HB3 . 51399 1 1258 . 1 . 1 121 121 CYS C C 13 178.032 0.3 . 1 . . . . . 121 CYS C . 51399 1 1259 . 1 . 1 121 121 CYS CA C 13 64.821 0.3 . 1 . . . . . 121 CYS CA . 51399 1 1260 . 1 . 1 121 121 CYS CB C 13 26.964 0.3 . 1 . . . . . 121 CYS CB . 51399 1 1261 . 1 . 1 121 121 CYS N N 15 115.253 0.3 . 1 . . . . . 121 CYS N . 51399 1 1262 . 1 . 1 122 122 MET H H 1 7.496 0.020 . 1 . . . . . 122 MET H . 51399 1 1263 . 1 . 1 122 122 MET HA H 1 3.618 0.020 . 1 . . . . . 122 MET HA . 51399 1 1264 . 1 . 1 122 122 MET HB2 H 1 1.452 0.020 . 2 . . . . . 122 MET HB2 . 51399 1 1265 . 1 . 1 122 122 MET HB3 H 1 0.858 0.020 . 2 . . . . . 122 MET HB3 . 51399 1 1266 . 1 . 1 122 122 MET HG2 H 1 2.739 0.020 . 2 . . . . . 122 MET HG2 . 51399 1 1267 . 1 . 1 122 122 MET HG3 H 1 2.077 0.020 . 2 . . . . . 122 MET HG3 . 51399 1 1268 . 1 . 1 122 122 MET C C 13 178.701 0.3 . 1 . . . . . 122 MET C . 51399 1 1269 . 1 . 1 122 122 MET CA C 13 60.308 0.3 . 1 . . . . . 122 MET CA . 51399 1 1270 . 1 . 1 122 122 MET CB C 13 31.071 0.3 . 1 . . . . . 122 MET CB . 51399 1 1271 . 1 . 1 122 122 MET CG C 13 33.588 0.3 . 1 . . . . . 122 MET CG . 51399 1 1272 . 1 . 1 122 122 MET N N 15 120.054 0.3 . 1 . . . . . 122 MET N . 51399 1 1273 . 1 . 1 123 123 GLU H H 1 8.618 0.020 . 1 . . . . . 123 GLU H . 51399 1 1274 . 1 . 1 123 123 GLU HA H 1 4.076 0.020 . 1 . . . . . 123 GLU HA . 51399 1 1275 . 1 . 1 123 123 GLU HB2 H 1 2.447 0.020 . 2 . . . . . 123 GLU HB2 . 51399 1 1276 . 1 . 1 123 123 GLU HB3 H 1 2.133 0.020 . 2 . . . . . 123 GLU HB3 . 51399 1 1277 . 1 . 1 123 123 GLU HG2 H 1 2.708 0.020 . 1 . . . . . 123 GLU HG2 . 51399 1 1278 . 1 . 1 123 123 GLU HG3 H 1 2.708 0.020 . 1 . . . . . 123 GLU HG3 . 51399 1 1279 . 1 . 1 123 123 GLU C C 13 180.772 0.3 . 1 . . . . . 123 GLU C . 51399 1 1280 . 1 . 1 123 123 GLU CA C 13 59.906 0.3 . 1 . . . . . 123 GLU CA . 51399 1 1281 . 1 . 1 123 123 GLU CB C 13 29.504 0.3 . 1 . . . . . 123 GLU CB . 51399 1 1282 . 1 . 1 123 123 GLU CG C 13 36.599 0.3 . 1 . . . . . 123 GLU CG . 51399 1 1283 . 1 . 1 123 123 GLU N N 15 120.109 0.3 . 1 . . . . . 123 GLU N . 51399 1 1284 . 1 . 1 124 124 ILE H H 1 9.079 0.020 . 1 . . . . . 124 ILE H . 51399 1 1285 . 1 . 1 124 124 ILE HA H 1 3.637 0.020 . 1 . . . . . 124 ILE HA . 51399 1 1286 . 1 . 1 124 124 ILE HB H 1 1.682 0.020 . 1 . . . . . 124 ILE HB . 51399 1 1287 . 1 . 1 124 124 ILE HG12 H 1 1.956 0.020 . 2 . . . . . 124 ILE HG12 . 51399 1 1288 . 1 . 1 124 124 ILE HG13 H 1 0.960 0.020 . 2 . . . . . 124 ILE HG13 . 51399 1 1289 . 1 . 1 124 124 ILE HG21 H 1 0.698 0.020 . 1 . . . . . 124 ILE HG2 . 51399 1 1290 . 1 . 1 124 124 ILE HG22 H 1 0.698 0.020 . 1 . . . . . 124 ILE HG2 . 51399 1 1291 . 1 . 1 124 124 ILE HG23 H 1 0.698 0.020 . 1 . . . . . 124 ILE HG2 . 51399 1 1292 . 1 . 1 124 124 ILE HD11 H 1 0.826 0.020 . 1 . . . . . 124 ILE HD1 . 51399 1 1293 . 1 . 1 124 124 ILE HD12 H 1 0.826 0.020 . 1 . . . . . 124 ILE HD1 . 51399 1 1294 . 1 . 1 124 124 ILE HD13 H 1 0.826 0.020 . 1 . . . . . 124 ILE HD1 . 51399 1 1295 . 1 . 1 124 124 ILE C C 13 178.391 0.3 . 1 . . . . . 124 ILE C . 51399 1 1296 . 1 . 1 124 124 ILE CA C 13 65.128 0.3 . 1 . . . . . 124 ILE CA . 51399 1 1297 . 1 . 1 124 124 ILE CB C 13 38.218 0.3 . 1 . . . . . 124 ILE CB . 51399 1 1298 . 1 . 1 124 124 ILE CG1 C 13 29.425 0.3 . 1 . . . . . 124 ILE CG1 . 51399 1 1299 . 1 . 1 124 124 ILE CG2 C 13 17.205 0.3 . 1 . . . . . 124 ILE CG2 . 51399 1 1300 . 1 . 1 124 124 ILE CD1 C 13 14.721 0.3 . 1 . . . . . 124 ILE CD1 . 51399 1 1301 . 1 . 1 124 124 ILE N N 15 121.173 0.3 . 1 . . . . . 124 ILE N . 51399 1 1302 . 1 . 1 125 125 THR H H 1 7.342 0.020 . 1 . . . . . 125 THR H . 51399 1 1303 . 1 . 1 125 125 THR HA H 1 3.446 0.020 . 1 . . . . . 125 THR HA . 51399 1 1304 . 1 . 1 125 125 THR HB H 1 4.183 0.020 . 1 . . . . . 125 THR HB . 51399 1 1305 . 1 . 1 125 125 THR HG21 H 1 0.896 0.020 . 1 . . . . . 125 THR HG2 . 51399 1 1306 . 1 . 1 125 125 THR HG22 H 1 0.896 0.020 . 1 . . . . . 125 THR HG2 . 51399 1 1307 . 1 . 1 125 125 THR HG23 H 1 0.896 0.020 . 1 . . . . . 125 THR HG2 . 51399 1 1308 . 1 . 1 125 125 THR C C 13 175.704 0.3 . 1 . . . . . 125 THR C . 51399 1 1309 . 1 . 1 125 125 THR CA C 13 69.390 0.3 . 1 . . . . . 125 THR CA . 51399 1 1310 . 1 . 1 125 125 THR CB C 13 68.079 0.3 . 1 . . . . . 125 THR CB . 51399 1 1311 . 1 . 1 125 125 THR CG2 C 13 22.227 0.3 . 1 . . . . . 125 THR CG2 . 51399 1 1312 . 1 . 1 125 125 THR N N 15 117.588 0.3 . 1 . . . . . 125 THR N . 51399 1 1313 . 1 . 1 126 126 GLU H H 1 7.906 0.020 . 1 . . . . . 126 GLU H . 51399 1 1314 . 1 . 1 126 126 GLU HA H 1 4.389 0.020 . 1 . . . . . 126 GLU HA . 51399 1 1315 . 1 . 1 126 126 GLU HB2 H 1 2.330 0.020 . 2 . . . . . 126 GLU HB2 . 51399 1 1316 . 1 . 1 126 126 GLU HB3 H 1 2.097 0.020 . 2 . . . . . 126 GLU HB3 . 51399 1 1317 . 1 . 1 126 126 GLU HG2 H 1 2.332 0.020 . 2 . . . . . 126 GLU HG2 . 51399 1 1318 . 1 . 1 126 126 GLU HG3 H 1 2.506 0.020 . 2 . . . . . 126 GLU HG3 . 51399 1 1319 . 1 . 1 126 126 GLU C C 13 180.540 0.3 . 1 . . . . . 126 GLU C . 51399 1 1320 . 1 . 1 126 126 GLU CA C 13 58.943 0.3 . 1 . . . . . 126 GLU CA . 51399 1 1321 . 1 . 1 126 126 GLU CB C 13 29.402 0.3 . 1 . . . . . 126 GLU CB . 51399 1 1322 . 1 . 1 126 126 GLU CG C 13 35.346 0.3 . 1 . . . . . 126 GLU CG . 51399 1 1323 . 1 . 1 126 126 GLU N N 15 120.386 0.3 . 1 . . . . . 126 GLU N . 51399 1 1324 . 1 . 1 127 127 SER H H 1 8.743 0.020 . 1 . . . . . 127 SER H . 51399 1 1325 . 1 . 1 127 127 SER HA H 1 4.354 0.020 . 1 . . . . . 127 SER HA . 51399 1 1326 . 1 . 1 127 127 SER HB2 H 1 4.053 0.020 . 1 . . . . . 127 SER HB2 . 51399 1 1327 . 1 . 1 127 127 SER HB3 H 1 4.053 0.020 . 1 . . . . . 127 SER HB3 . 51399 1 1328 . 1 . 1 127 127 SER C C 13 175.931 0.3 . 1 . . . . . 127 SER C . 51399 1 1329 . 1 . 1 127 127 SER CA C 13 61.629 0.3 . 1 . . . . . 127 SER CA . 51399 1 1330 . 1 . 1 127 127 SER CB C 13 62.721 0.3 . 1 . . . . . 127 SER CB . 51399 1 1331 . 1 . 1 127 127 SER N N 15 119.027 0.3 . 1 . . . . . 127 SER N . 51399 1 1332 . 1 . 1 128 128 LEU H H 1 7.559 0.020 . 1 . . . . . 128 LEU H . 51399 1 1333 . 1 . 1 128 128 LEU HA H 1 4.325 0.020 . 1 . . . . . 128 LEU HA . 51399 1 1334 . 1 . 1 128 128 LEU HB2 H 1 1.594 0.020 . 2 . . . . . 128 LEU HB2 . 51399 1 1335 . 1 . 1 128 128 LEU HB3 H 1 1.517 0.020 . 2 . . . . . 128 LEU HB3 . 51399 1 1336 . 1 . 1 128 128 LEU HG H 1 1.663 0.020 . 1 . . . . . 128 LEU HG . 51399 1 1337 . 1 . 1 128 128 LEU HD11 H 1 0.966 0.020 . 2 . . . . . 128 LEU HD1 . 51399 1 1338 . 1 . 1 128 128 LEU HD12 H 1 0.966 0.020 . 2 . . . . . 128 LEU HD1 . 51399 1 1339 . 1 . 1 128 128 LEU HD13 H 1 0.966 0.020 . 2 . . . . . 128 LEU HD1 . 51399 1 1340 . 1 . 1 128 128 LEU HD21 H 1 0.558 0.020 . 2 . . . . . 128 LEU HD2 . 51399 1 1341 . 1 . 1 128 128 LEU HD22 H 1 0.558 0.020 . 2 . . . . . 128 LEU HD2 . 51399 1 1342 . 1 . 1 128 128 LEU HD23 H 1 0.558 0.020 . 2 . . . . . 128 LEU HD2 . 51399 1 1343 . 1 . 1 128 128 LEU C C 13 175.704 0.3 . 1 . . . . . 128 LEU C . 51399 1 1344 . 1 . 1 128 128 LEU CA C 13 54.611 0.3 . 1 . . . . . 128 LEU CA . 51399 1 1345 . 1 . 1 128 128 LEU CB C 13 42.453 0.3 . 1 . . . . . 128 LEU CB . 51399 1 1346 . 1 . 1 128 128 LEU CG C 13 26.913 0.3 . 1 . . . . . 128 LEU CG . 51399 1 1347 . 1 . 1 128 128 LEU CD1 C 13 25.313 0.3 . 1 . . . . . 128 LEU CD1 . 51399 1 1348 . 1 . 1 128 128 LEU CD2 C 13 25.037 0.3 . 1 . . . . . 128 LEU CD2 . 51399 1 1349 . 1 . 1 128 128 LEU N N 15 122.009 0.3 . 1 . . . . . 128 LEU N . 51399 1 1350 . 1 . 1 129 129 SER H H 1 8.248 0.020 . 1 . . . . . 129 SER H . 51399 1 1351 . 1 . 1 129 129 SER HA H 1 4.393 0.020 . 1 . . . . . 129 SER HA . 51399 1 1352 . 1 . 1 129 129 SER HB2 H 1 4.123 0.020 . 1 . . . . . 129 SER HB2 . 51399 1 1353 . 1 . 1 129 129 SER HB3 H 1 4.123 0.020 . 1 . . . . . 129 SER HB3 . 51399 1 1354 . 1 . 1 129 129 SER C C 13 174.498 0.3 . 1 . . . . . 129 SER C . 51399 1 1355 . 1 . 1 129 129 SER CA C 13 58.691 0.3 . 1 . . . . . 129 SER CA . 51399 1 1356 . 1 . 1 129 129 SER CB C 13 60.712 0.3 . 1 . . . . . 129 SER CB . 51399 1 1357 . 1 . 1 129 129 SER N N 15 111.874 0.3 . 1 . . . . . 129 SER N . 51399 1 1358 . 1 . 1 130 130 LEU H H 1 7.384 0.020 . 1 . . . . . 130 LEU H . 51399 1 1359 . 1 . 1 130 130 LEU HA H 1 4.639 0.020 . 1 . . . . . 130 LEU HA . 51399 1 1360 . 1 . 1 130 130 LEU HB2 H 1 1.766 0.020 . 1 . . . . . 130 LEU HB2 . 51399 1 1361 . 1 . 1 130 130 LEU HB3 H 1 1.766 0.020 . 1 . . . . . 130 LEU HB3 . 51399 1 1362 . 1 . 1 130 130 LEU HG H 1 0.968 0.020 . 1 . . . . . 130 LEU HG . 51399 1 1363 . 1 . 1 130 130 LEU HD11 H 1 0.855 0.020 . 1 . . . . . 130 LEU HD1 . 51399 1 1364 . 1 . 1 130 130 LEU HD12 H 1 0.855 0.020 . 1 . . . . . 130 LEU HD1 . 51399 1 1365 . 1 . 1 130 130 LEU HD13 H 1 0.855 0.020 . 1 . . . . . 130 LEU HD1 . 51399 1 1366 . 1 . 1 130 130 LEU HD21 H 1 0.876 0.020 . 1 . . . . . 130 LEU HD2 . 51399 1 1367 . 1 . 1 130 130 LEU HD22 H 1 0.876 0.020 . 1 . . . . . 130 LEU HD2 . 51399 1 1368 . 1 . 1 130 130 LEU HD23 H 1 0.876 0.020 . 1 . . . . . 130 LEU HD2 . 51399 1 1369 . 1 . 1 130 130 LEU C C 13 176.128 0.3 . 1 . . . . . 130 LEU C . 51399 1 1370 . 1 . 1 130 130 LEU CA C 13 52.982 0.3 . 1 . . . . . 130 LEU CA . 51399 1 1371 . 1 . 1 130 130 LEU CB C 13 41.601 0.3 . 1 . . . . . 130 LEU CB . 51399 1 1372 . 1 . 1 130 130 LEU CG C 13 27.365 0.3 . 1 . . . . . 130 LEU CG . 51399 1 1373 . 1 . 1 130 130 LEU CD1 C 13 21.897 0.3 . 1 . . . . . 130 LEU CD1 . 51399 1 1374 . 1 . 1 130 130 LEU CD2 C 13 21.622 0.3 . 1 . . . . . 130 LEU CD2 . 51399 1 1375 . 1 . 1 130 130 LEU N N 15 117.856 0.3 . 1 . . . . . 130 LEU N . 51399 1 1376 . 1 . 1 131 131 LYS H H 1 8.654 0.020 . 1 . . . . . 131 LYS H . 51399 1 1377 . 1 . 1 131 131 LYS HA H 1 5.089 0.020 . 1 . . . . . 131 LYS HA . 51399 1 1378 . 1 . 1 131 131 LYS HB2 H 1 1.845 0.020 . 1 . . . . . 131 LYS HB2 . 51399 1 1379 . 1 . 1 131 131 LYS HB3 H 1 1.845 0.020 . 1 . . . . . 131 LYS HB3 . 51399 1 1380 . 1 . 1 131 131 LYS HG2 H 1 1.519 0.020 . 2 . . . . . 131 LYS HG2 . 51399 1 1381 . 1 . 1 131 131 LYS HG3 H 1 1.438 0.020 . 2 . . . . . 131 LYS HG3 . 51399 1 1382 . 1 . 1 131 131 LYS HD2 H 1 1.711 0.020 . 1 . . . . . 131 LYS HD2 . 51399 1 1383 . 1 . 1 131 131 LYS HD3 H 1 1.711 0.020 . 1 . . . . . 131 LYS HD3 . 51399 1 1384 . 1 . 1 131 131 LYS HE2 H 1 2.996 0.020 . 1 . . . . . 131 LYS HE2 . 51399 1 1385 . 1 . 1 131 131 LYS HE3 H 1 2.996 0.020 . 1 . . . . . 131 LYS HE3 . 51399 1 1386 . 1 . 1 131 131 LYS C C 13 177.531 0.3 . 1 . . . . . 131 LYS C . 51399 1 1387 . 1 . 1 131 131 LYS CA C 13 57.411 0.3 . 1 . . . . . 131 LYS CA . 51399 1 1388 . 1 . 1 131 131 LYS CB C 13 35.370 0.3 . 1 . . . . . 131 LYS CB . 51399 1 1389 . 1 . 1 131 131 LYS CG C 13 25.028 0.3 . 1 . . . . . 131 LYS CG . 51399 1 1390 . 1 . 1 131 131 LYS CD C 13 29.103 0.3 . 1 . . . . . 131 LYS CD . 51399 1 1391 . 1 . 1 131 131 LYS CE C 13 41.901 0.3 . 1 . . . . . 131 LYS CE . 51399 1 1392 . 1 . 1 131 131 LYS N N 15 116.722 0.3 . 1 . . . . . 131 LYS N . 51399 1 1393 . 1 . 1 132 132 SER H H 1 7.707 0.020 . 1 . . . . . 132 SER H . 51399 1 1394 . 1 . 1 132 132 SER HA H 1 5.833 0.020 . 1 . . . . . 132 SER HA . 51399 1 1395 . 1 . 1 132 132 SER HB2 H 1 3.356 0.020 . 1 . . . . . 132 SER HB2 . 51399 1 1396 . 1 . 1 132 132 SER HB3 H 1 3.356 0.020 . 1 . . . . . 132 SER HB3 . 51399 1 1397 . 1 . 1 132 132 SER C C 13 172.145 0.3 . 1 . . . . . 132 SER C . 51399 1 1398 . 1 . 1 132 132 SER CA C 13 55.141 0.3 . 1 . . . . . 132 SER CA . 51399 1 1399 . 1 . 1 132 132 SER CB C 13 66.725 0.3 . 1 . . . . . 132 SER CB . 51399 1 1400 . 1 . 1 132 132 SER N N 15 111.064 0.3 . 1 . . . . . 132 SER N . 51399 1 1401 . 1 . 1 133 133 ILE H H 1 7.918 0.020 . 1 . . . . . 133 ILE H . 51399 1 1402 . 1 . 1 133 133 ILE HA H 1 4.941 0.020 . 1 . . . . . 133 ILE HA . 51399 1 1403 . 1 . 1 133 133 ILE HB H 1 1.563 0.020 . 1 . . . . . 133 ILE HB . 51399 1 1404 . 1 . 1 133 133 ILE HG12 H 1 0.048 0.020 . 1 . . . . . 133 ILE HG12 . 51399 1 1405 . 1 . 1 133 133 ILE HG13 H 1 0.048 0.020 . 1 . . . . . 133 ILE HG13 . 51399 1 1406 . 1 . 1 133 133 ILE HG21 H 1 0.882 0.020 . 1 . . . . . 133 ILE HG2 . 51399 1 1407 . 1 . 1 133 133 ILE HG22 H 1 0.882 0.020 . 1 . . . . . 133 ILE HG2 . 51399 1 1408 . 1 . 1 133 133 ILE HG23 H 1 0.882 0.020 . 1 . . . . . 133 ILE HG2 . 51399 1 1409 . 1 . 1 133 133 ILE HD11 H 1 0.195 0.020 . 1 . . . . . 133 ILE HD1 . 51399 1 1410 . 1 . 1 133 133 ILE HD12 H 1 0.195 0.020 . 1 . . . . . 133 ILE HD1 . 51399 1 1411 . 1 . 1 133 133 ILE HD13 H 1 0.195 0.020 . 1 . . . . . 133 ILE HD1 . 51399 1 1412 . 1 . 1 133 133 ILE C C 13 170.676 0.3 . 1 . . . . . 133 ILE C . 51399 1 1413 . 1 . 1 133 133 ILE CA C 13 57.438 0.3 . 1 . . . . . 133 ILE CA . 51399 1 1414 . 1 . 1 133 133 ILE CB C 13 41.315 0.3 . 1 . . . . . 133 ILE CB . 51399 1 1415 . 1 . 1 133 133 ILE CG1 C 13 28.940 0.3 . 1 . . . . . 133 ILE CG1 . 51399 1 1416 . 1 . 1 133 133 ILE CG2 C 13 15.973 0.3 . 1 . . . . . 133 ILE CG2 . 51399 1 1417 . 1 . 1 133 133 ILE CD1 C 13 14.722 0.3 . 1 . . . . . 133 ILE CD1 . 51399 1 1418 . 1 . 1 133 133 ILE N N 15 117.710 0.3 . 1 . . . . . 133 ILE N . 51399 1 1419 . 1 . 1 134 134 ALA H H 1 8.199 0.020 . 1 . . . . . 134 ALA H . 51399 1 1420 . 1 . 1 134 134 ALA HA H 1 5.611 0.020 . 1 . . . . . 134 ALA HA . 51399 1 1421 . 1 . 1 134 134 ALA HB1 H 1 1.326 0.020 . 1 . . . . . 134 ALA HB . 51399 1 1422 . 1 . 1 134 134 ALA HB2 H 1 1.326 0.020 . 1 . . . . . 134 ALA HB . 51399 1 1423 . 1 . 1 134 134 ALA HB3 H 1 1.326 0.020 . 1 . . . . . 134 ALA HB . 51399 1 1424 . 1 . 1 134 134 ALA C C 13 175.704 0.3 . 1 . . . . . 134 ALA C . 51399 1 1425 . 1 . 1 134 134 ALA CA C 13 49.174 0.3 . 1 . . . . . 134 ALA CA . 51399 1 1426 . 1 . 1 134 134 ALA CB C 13 21.559 0.3 . 1 . . . . . 134 ALA CB . 51399 1 1427 . 1 . 1 134 134 ALA N N 15 128.020 0.3 . 1 . . . . . 134 ALA N . 51399 1 1428 . 1 . 1 135 135 PHE H H 1 9.425 0.020 . 1 . . . . . 135 PHE H . 51399 1 1429 . 1 . 1 135 135 PHE HA H 1 5.236 0.020 . 1 . . . . . 135 PHE HA . 51399 1 1430 . 1 . 1 135 135 PHE HB2 H 1 3.461 0.020 . 2 . . . . . 135 PHE HB2 . 51399 1 1431 . 1 . 1 135 135 PHE HB3 H 1 3.124 0.020 . 2 . . . . . 135 PHE HB3 . 51399 1 1432 . 1 . 1 135 135 PHE CA C 13 54.960 0.3 . 1 . . . . . 135 PHE CA . 51399 1 1433 . 1 . 1 135 135 PHE CB C 13 42.379 0.3 . 1 . . . . . 135 PHE CB . 51399 1 1434 . 1 . 1 135 135 PHE N N 15 120.223 0.3 . 1 . . . . . 135 PHE N . 51399 1 1435 . 1 . 1 136 136 PRO HA H 1 5.862 0.020 . 1 . . . . . 136 PRO HA . 51399 1 1436 . 1 . 1 136 136 PRO HB2 H 1 2.131 0.020 . 1 . . . . . 136 PRO HB2 . 51399 1 1437 . 1 . 1 136 136 PRO HB3 H 1 2.131 0.020 . 1 . . . . . 136 PRO HB3 . 51399 1 1438 . 1 . 1 136 136 PRO HG2 H 1 2.201 0.020 . 1 . . . . . 136 PRO HG2 . 51399 1 1439 . 1 . 1 136 136 PRO HG3 H 1 2.201 0.020 . 1 . . . . . 136 PRO HG3 . 51399 1 1440 . 1 . 1 136 136 PRO HD2 H 1 3.736 0.020 . 1 . . . . . 136 PRO HD2 . 51399 1 1441 . 1 . 1 136 136 PRO HD3 H 1 3.736 0.020 . 1 . . . . . 136 PRO HD3 . 51399 1 1442 . 1 . 1 136 136 PRO CA C 13 61.877 0.3 . 1 . . . . . 136 PRO CA . 51399 1 1443 . 1 . 1 136 136 PRO CB C 13 33.282 0.3 . 1 . . . . . 136 PRO CB . 51399 1 1444 . 1 . 1 136 136 PRO CG C 13 27.883 0.3 . 1 . . . . . 136 PRO CG . 51399 1 1445 . 1 . 1 136 136 PRO CD C 13 51.112 0.3 . 1 . . . . . 136 PRO CD . 51399 1 1446 . 1 . 1 137 137 ALA H H 1 9.490 0.020 . 1 . . . . . 137 ALA H . 51399 1 1447 . 1 . 1 137 137 ALA HA H 1 4.693 0.020 . 1 . . . . . 137 ALA HA . 51399 1 1448 . 1 . 1 137 137 ALA HB1 H 1 1.290 0.020 . 1 . . . . . 137 ALA HB . 51399 1 1449 . 1 . 1 137 137 ALA HB2 H 1 1.290 0.020 . 1 . . . . . 137 ALA HB . 51399 1 1450 . 1 . 1 137 137 ALA HB3 H 1 1.290 0.020 . 1 . . . . . 137 ALA HB . 51399 1 1451 . 1 . 1 137 137 ALA CA C 13 50.502 0.3 . 1 . . . . . 137 ALA CA . 51399 1 1452 . 1 . 1 137 137 ALA CB C 13 16.547 0.3 . 1 . . . . . 137 ALA CB . 51399 1 1453 . 1 . 1 137 137 ALA N N 15 123.779 0.3 . 1 . . . . . 137 ALA N . 51399 1 1454 . 1 . 1 139 139 GLY HA2 H 1 4.352 0.020 . 2 . . . . . 139 GLY HA1 . 51399 1 1455 . 1 . 1 139 139 GLY HA3 H 1 3.483 0.020 . 2 . . . . . 139 GLY HA2 . 51399 1 1456 . 1 . 1 139 139 GLY C C 13 175.142 0.3 . 1 . . . . . 139 GLY C . 51399 1 1457 . 1 . 1 139 139 GLY CA C 13 45.012 0.3 . 1 . . . . . 139 GLY CA . 51399 1 1458 . 1 . 1 140 140 THR H H 1 7.034 0.020 . 1 . . . . . 140 THR H . 51399 1 1459 . 1 . 1 140 140 THR HA H 1 4.186 0.020 . 1 . . . . . 140 THR HA . 51399 1 1460 . 1 . 1 140 140 THR HB H 1 4.588 0.020 . 1 . . . . . 140 THR HB . 51399 1 1461 . 1 . 1 140 140 THR HG21 H 1 0.902 0.020 . 1 . . . . . 140 THR HG2 . 51399 1 1462 . 1 . 1 140 140 THR HG22 H 1 0.902 0.020 . 1 . . . . . 140 THR HG2 . 51399 1 1463 . 1 . 1 140 140 THR HG23 H 1 0.902 0.020 . 1 . . . . . 140 THR HG2 . 51399 1 1464 . 1 . 1 140 140 THR C C 13 174.274 0.3 . 1 . . . . . 140 THR C . 51399 1 1465 . 1 . 1 140 140 THR CA C 13 61.935 0.3 . 1 . . . . . 140 THR CA . 51399 1 1466 . 1 . 1 140 140 THR CB C 13 70.890 0.3 . 1 . . . . . 140 THR CB . 51399 1 1467 . 1 . 1 140 140 THR CG2 C 13 20.342 0.3 . 1 . . . . . 140 THR CG2 . 51399 1 1468 . 1 . 1 140 140 THR N N 15 104.561 0.3 . 1 . . . . . 140 THR N . 51399 1 1469 . 1 . 1 141 141 GLY H H 1 9.015 0.020 . 1 . . . . . 141 GLY H . 51399 1 1470 . 1 . 1 141 141 GLY HA2 H 1 4.457 0.020 . 2 . . . . . 141 GLY HA1 . 51399 1 1471 . 1 . 1 141 141 GLY HA3 H 1 4.143 0.020 . 2 . . . . . 141 GLY HA2 . 51399 1 1472 . 1 . 1 141 141 GLY C C 13 175.489 0.3 . 1 . . . . . 141 GLY C . 51399 1 1473 . 1 . 1 141 141 GLY CA C 13 44.440 0.3 . 1 . . . . . 141 GLY CA . 51399 1 1474 . 1 . 1 141 141 GLY N N 15 114.793 0.3 . 1 . . . . . 141 GLY N . 51399 1 1475 . 1 . 1 142 142 ASN H H 1 10.066 0.020 . 1 . . . . . 142 ASN H . 51399 1 1476 . 1 . 1 142 142 ASN HA H 1 4.655 0.020 . 1 . . . . . 142 ASN HA . 51399 1 1477 . 1 . 1 142 142 ASN HB2 H 1 2.459 0.020 . 2 . . . . . 142 ASN HB2 . 51399 1 1478 . 1 . 1 142 142 ASN HB3 H 1 2.710 0.020 . 2 . . . . . 142 ASN HB3 . 51399 1 1479 . 1 . 1 142 142 ASN CA C 13 55.963 0.3 . 1 . . . . . 142 ASN CA . 51399 1 1480 . 1 . 1 142 142 ASN CB C 13 36.813 0.3 . 1 . . . . . 142 ASN CB . 51399 1 1481 . 1 . 1 142 142 ASN N N 15 132.377 0.3 . 1 . . . . . 142 ASN N . 51399 1 1482 . 1 . 1 143 143 LEU HA H 1 4.674 0.020 . 1 . . . . . 143 LEU HA . 51399 1 1483 . 1 . 1 143 143 LEU HB2 H 1 2.214 0.020 . 1 . . . . . 143 LEU HB2 . 51399 1 1484 . 1 . 1 143 143 LEU HB3 H 1 2.214 0.020 . 1 . . . . . 143 LEU HB3 . 51399 1 1485 . 1 . 1 143 143 LEU HG H 1 1.846 0.020 . 1 . . . . . 143 LEU HG . 51399 1 1486 . 1 . 1 143 143 LEU HD11 H 1 0.854 0.020 . 1 . . . . . 143 LEU HD1 . 51399 1 1487 . 1 . 1 143 143 LEU HD12 H 1 0.854 0.020 . 1 . . . . . 143 LEU HD1 . 51399 1 1488 . 1 . 1 143 143 LEU HD13 H 1 0.854 0.020 . 1 . . . . . 143 LEU HD1 . 51399 1 1489 . 1 . 1 143 143 LEU HD21 H 1 0.861 0.020 . 1 . . . . . 143 LEU HD2 . 51399 1 1490 . 1 . 1 143 143 LEU HD22 H 1 0.861 0.020 . 1 . . . . . 143 LEU HD2 . 51399 1 1491 . 1 . 1 143 143 LEU HD23 H 1 0.861 0.020 . 1 . . . . . 143 LEU HD2 . 51399 1 1492 . 1 . 1 143 143 LEU C C 13 179.226 0.3 . 1 . . . . . 143 LEU C . 51399 1 1493 . 1 . 1 143 143 LEU CA C 13 56.924 0.3 . 1 . . . . . 143 LEU CA . 51399 1 1494 . 1 . 1 143 143 LEU CB C 13 40.306 0.3 . 1 . . . . . 143 LEU CB . 51399 1 1495 . 1 . 1 143 143 LEU CG C 13 26.019 0.3 . 1 . . . . . 143 LEU CG . 51399 1 1496 . 1 . 1 143 143 LEU CD1 C 13 21.900 0.3 . 1 . . . . . 143 LEU CD1 . 51399 1 1497 . 1 . 1 143 143 LEU CD2 C 13 21.609 0.3 . 1 . . . . . 143 LEU CD2 . 51399 1 1498 . 1 . 1 144 144 GLY H H 1 7.458 0.020 . 1 . . . . . 144 GLY H . 51399 1 1499 . 1 . 1 144 144 GLY HA2 H 1 4.118 0.020 . 2 . . . . . 144 GLY HA1 . 51399 1 1500 . 1 . 1 144 144 GLY HA3 H 1 3.762 0.020 . 2 . . . . . 144 GLY HA2 . 51399 1 1501 . 1 . 1 144 144 GLY CA C 13 46.546 0.3 . 1 . . . . . 144 GLY CA . 51399 1 1502 . 1 . 1 144 144 GLY N N 15 104.618 0.3 . 1 . . . . . 144 GLY N . 51399 1 1503 . 1 . 1 146 146 PRO HA H 1 4.172 0.020 . 1 . . . . . 146 PRO HA . 51399 1 1504 . 1 . 1 146 146 PRO HB2 H 1 2.332 0.020 . 2 . . . . . 146 PRO HB2 . 51399 1 1505 . 1 . 1 146 146 PRO HB3 H 1 1.480 0.020 . 2 . . . . . 146 PRO HB3 . 51399 1 1506 . 1 . 1 146 146 PRO HG2 H 1 1.986 0.020 . 2 . . . . . 146 PRO HG2 . 51399 1 1507 . 1 . 1 146 146 PRO HG3 H 1 1.928 0.020 . 2 . . . . . 146 PRO HG3 . 51399 1 1508 . 1 . 1 146 146 PRO HD2 H 1 1.906 0.020 . 2 . . . . . 146 PRO HD2 . 51399 1 1509 . 1 . 1 146 146 PRO HD3 H 1 1.332 0.020 . 2 . . . . . 146 PRO HD3 . 51399 1 1510 . 1 . 1 146 146 PRO C C 13 178.199 0.3 . 1 . . . . . 146 PRO C . 51399 1 1511 . 1 . 1 146 146 PRO CA C 13 62.000 0.3 . 1 . . . . . 146 PRO CA . 51399 1 1512 . 1 . 1 146 146 PRO CB C 13 32.052 0.3 . 1 . . . . . 146 PRO CB . 51399 1 1513 . 1 . 1 146 146 PRO CG C 13 27.847 0.3 . 1 . . . . . 146 PRO CG . 51399 1 1514 . 1 . 1 146 146 PRO CD C 13 48.763 0.3 . 1 . . . . . 146 PRO CD . 51399 1 1515 . 1 . 1 147 147 LYS H H 1 8.937 0.020 . 1 . . . . . 147 LYS H . 51399 1 1516 . 1 . 1 147 147 LYS HA H 1 4.072 0.020 . 1 . . . . . 147 LYS HA . 51399 1 1517 . 1 . 1 147 147 LYS HB2 H 1 1.908 0.020 . 2 . . . . . 147 LYS HB2 . 51399 1 1518 . 1 . 1 147 147 LYS HB3 H 1 1.536 0.020 . 2 . . . . . 147 LYS HB3 . 51399 1 1519 . 1 . 1 147 147 LYS HG2 H 1 1.359 0.020 . 1 . . . . . 147 LYS HG2 . 51399 1 1520 . 1 . 1 147 147 LYS HG3 H 1 1.359 0.020 . 1 . . . . . 147 LYS HG3 . 51399 1 1521 . 1 . 1 147 147 LYS HD2 H 1 1.651 0.020 . 1 . . . . . 147 LYS HD2 . 51399 1 1522 . 1 . 1 147 147 LYS HD3 H 1 1.651 0.020 . 1 . . . . . 147 LYS HD3 . 51399 1 1523 . 1 . 1 147 147 LYS HE2 H 1 2.975 0.020 . 1 . . . . . 147 LYS HE2 . 51399 1 1524 . 1 . 1 147 147 LYS HE3 H 1 2.975 0.020 . 1 . . . . . 147 LYS HE3 . 51399 1 1525 . 1 . 1 147 147 LYS C C 13 178.164 0.3 . 1 . . . . . 147 LYS C . 51399 1 1526 . 1 . 1 147 147 LYS CA C 13 60.754 0.3 . 1 . . . . . 147 LYS CA . 51399 1 1527 . 1 . 1 147 147 LYS CB C 13 31.890 0.3 . 1 . . . . . 147 LYS CB . 51399 1 1528 . 1 . 1 147 147 LYS CG C 13 24.718 0.3 . 1 . . . . . 147 LYS CG . 51399 1 1529 . 1 . 1 147 147 LYS CD C 13 29.191 0.3 . 1 . . . . . 147 LYS CD . 51399 1 1530 . 1 . 1 147 147 LYS CE C 13 41.902 0.3 . 1 . . . . . 147 LYS CE . 51399 1 1531 . 1 . 1 147 147 LYS N N 15 125.776 0.3 . 1 . . . . . 147 LYS N . 51399 1 1532 . 1 . 1 148 148 ASN H H 1 8.764 0.020 . 1 . . . . . 148 ASN H . 51399 1 1533 . 1 . 1 148 148 ASN HA H 1 4.267 0.020 . 1 . . . . . 148 ASN HA . 51399 1 1534 . 1 . 1 148 148 ASN HB2 H 1 2.823 0.020 . 1 . . . . . 148 ASN HB2 . 51399 1 1535 . 1 . 1 148 148 ASN HB3 H 1 2.823 0.020 . 1 . . . . . 148 ASN HB3 . 51399 1 1536 . 1 . 1 148 148 ASN C C 13 177.256 0.3 . 1 . . . . . 148 ASN C . 51399 1 1537 . 1 . 1 148 148 ASN CA C 13 56.241 0.3 . 1 . . . . . 148 ASN CA . 51399 1 1538 . 1 . 1 148 148 ASN CB C 13 35.699 0.3 . 1 . . . . . 148 ASN CB . 51399 1 1539 . 1 . 1 148 148 ASN N N 15 115.279 0.3 . 1 . . . . . 148 ASN N . 51399 1 1540 . 1 . 1 149 149 ILE H H 1 6.724 0.020 . 1 . . . . . 149 ILE H . 51399 1 1541 . 1 . 1 149 149 ILE HA H 1 3.827 0.020 . 1 . . . . . 149 ILE HA . 51399 1 1542 . 1 . 1 149 149 ILE HB H 1 1.731 0.020 . 1 . . . . . 149 ILE HB . 51399 1 1543 . 1 . 1 149 149 ILE HG12 H 1 1.474 0.020 . 2 . . . . . 149 ILE HG12 . 51399 1 1544 . 1 . 1 149 149 ILE HG13 H 1 1.314 0.020 . 2 . . . . . 149 ILE HG13 . 51399 1 1545 . 1 . 1 149 149 ILE HG21 H 1 0.998 0.020 . 1 . . . . . 149 ILE HG2 . 51399 1 1546 . 1 . 1 149 149 ILE HG22 H 1 0.998 0.020 . 1 . . . . . 149 ILE HG2 . 51399 1 1547 . 1 . 1 149 149 ILE HG23 H 1 0.998 0.020 . 1 . . . . . 149 ILE HG2 . 51399 1 1548 . 1 . 1 149 149 ILE HD11 H 1 0.873 0.020 . 1 . . . . . 149 ILE HD1 . 51399 1 1549 . 1 . 1 149 149 ILE HD12 H 1 0.873 0.020 . 1 . . . . . 149 ILE HD1 . 51399 1 1550 . 1 . 1 149 149 ILE HD13 H 1 0.873 0.020 . 1 . . . . . 149 ILE HD1 . 51399 1 1551 . 1 . 1 149 149 ILE C C 13 178.104 0.3 . 1 . . . . . 149 ILE C . 51399 1 1552 . 1 . 1 149 149 ILE CA C 13 62.495 0.3 . 1 . . . . . 149 ILE CA . 51399 1 1553 . 1 . 1 149 149 ILE CB C 13 37.043 0.3 . 1 . . . . . 149 ILE CB . 51399 1 1554 . 1 . 1 149 149 ILE CG1 C 13 27.528 0.3 . 1 . . . . . 149 ILE CG1 . 51399 1 1555 . 1 . 1 149 149 ILE CG2 C 13 16.283 0.3 . 1 . . . . . 149 ILE CG2 . 51399 1 1556 . 1 . 1 149 149 ILE CD1 C 13 10.972 0.3 . 1 . . . . . 149 ILE CD1 . 51399 1 1557 . 1 . 1 149 149 ILE N N 15 121.158 0.3 . 1 . . . . . 149 ILE N . 51399 1 1558 . 1 . 1 150 150 PHE H H 1 8.480 0.020 . 1 . . . . . 150 PHE H . 51399 1 1559 . 1 . 1 150 150 PHE HA H 1 3.843 0.020 . 1 . . . . . 150 PHE HA . 51399 1 1560 . 1 . 1 150 150 PHE HB2 H 1 3.078 0.020 . 2 . . . . . 150 PHE HB2 . 51399 1 1561 . 1 . 1 150 150 PHE HB3 H 1 2.723 0.020 . 2 . . . . . 150 PHE HB3 . 51399 1 1562 . 1 . 1 150 150 PHE C C 13 174.999 0.3 . 1 . . . . . 150 PHE C . 51399 1 1563 . 1 . 1 150 150 PHE CA C 13 63.004 0.3 . 1 . . . . . 150 PHE CA . 51399 1 1564 . 1 . 1 150 150 PHE CB C 13 39.370 0.3 . 1 . . . . . 150 PHE CB . 51399 1 1565 . 1 . 1 150 150 PHE N N 15 120.572 0.3 . 1 . . . . . 150 PHE N . 51399 1 1566 . 1 . 1 151 151 ALA H H 1 7.789 0.020 . 1 . . . . . 151 ALA H . 51399 1 1567 . 1 . 1 151 151 ALA HA H 1 2.928 0.020 . 1 . . . . . 151 ALA HA . 51399 1 1568 . 1 . 1 151 151 ALA HB1 H 1 0.372 0.020 . 1 . . . . . 151 ALA HB . 51399 1 1569 . 1 . 1 151 151 ALA HB2 H 1 0.372 0.020 . 1 . . . . . 151 ALA HB . 51399 1 1570 . 1 . 1 151 151 ALA HB3 H 1 0.372 0.020 . 1 . . . . . 151 ALA HB . 51399 1 1571 . 1 . 1 151 151 ALA C C 13 177.961 0.3 . 1 . . . . . 151 ALA C . 51399 1 1572 . 1 . 1 151 151 ALA CA C 13 55.050 0.3 . 1 . . . . . 151 ALA CA . 51399 1 1573 . 1 . 1 151 151 ALA CB C 13 15.981 0.3 . 1 . . . . . 151 ALA CB . 51399 1 1574 . 1 . 1 151 151 ALA N N 15 118.662 0.3 . 1 . . . . . 151 ALA N . 51399 1 1575 . 1 . 1 152 152 GLU H H 1 6.846 0.020 . 1 . . . . . 152 GLU H . 51399 1 1576 . 1 . 1 152 152 GLU HA H 1 3.433 0.020 . 1 . . . . . 152 GLU HA . 51399 1 1577 . 1 . 1 152 152 GLU HB2 H 1 1.930 0.020 . 2 . . . . . 152 GLU HB2 . 51399 1 1578 . 1 . 1 152 152 GLU HB3 H 1 1.839 0.020 . 2 . . . . . 152 GLU HB3 . 51399 1 1579 . 1 . 1 152 152 GLU HG2 H 1 2.214 0.020 . 1 . . . . . 152 GLU HG2 . 51399 1 1580 . 1 . 1 152 152 GLU HG3 H 1 2.214 0.020 . 1 . . . . . 152 GLU HG3 . 51399 1 1581 . 1 . 1 152 152 GLU C C 13 177.555 0.3 . 1 . . . . . 152 GLU C . 51399 1 1582 . 1 . 1 152 152 GLU CA C 13 59.556 0.3 . 1 . . . . . 152 GLU CA . 51399 1 1583 . 1 . 1 152 152 GLU CB C 13 28.885 0.3 . 1 . . . . . 152 GLU CB . 51399 1 1584 . 1 . 1 152 152 GLU CG C 13 35.977 0.3 . 1 . . . . . 152 GLU CG . 51399 1 1585 . 1 . 1 152 152 GLU N N 15 113.780 0.3 . 1 . . . . . 152 GLU N . 51399 1 1586 . 1 . 1 153 153 LEU H H 1 7.808 0.020 . 1 . . . . . 153 LEU H . 51399 1 1587 . 1 . 1 153 153 LEU HA H 1 3.919 0.020 . 1 . . . . . 153 LEU HA . 51399 1 1588 . 1 . 1 153 153 LEU HB2 H 1 1.875 0.020 . 2 . . . . . 153 LEU HB2 . 51399 1 1589 . 1 . 1 153 153 LEU HB3 H 1 1.721 0.020 . 2 . . . . . 153 LEU HB3 . 51399 1 1590 . 1 . 1 153 153 LEU HG H 1 1.019 0.020 . 1 . . . . . 153 LEU HG . 51399 1 1591 . 1 . 1 153 153 LEU HD11 H 1 0.650 0.020 . 2 . . . . . 153 LEU HD1 . 51399 1 1592 . 1 . 1 153 153 LEU HD12 H 1 0.650 0.020 . 2 . . . . . 153 LEU HD1 . 51399 1 1593 . 1 . 1 153 153 LEU HD13 H 1 0.650 0.020 . 2 . . . . . 153 LEU HD1 . 51399 1 1594 . 1 . 1 153 153 LEU HD21 H 1 0.643 0.020 . 2 . . . . . 153 LEU HD2 . 51399 1 1595 . 1 . 1 153 153 LEU HD22 H 1 0.643 0.020 . 2 . . . . . 153 LEU HD2 . 51399 1 1596 . 1 . 1 153 153 LEU HD23 H 1 0.643 0.020 . 2 . . . . . 153 LEU HD2 . 51399 1 1597 . 1 . 1 153 153 LEU C C 13 179.446 0.3 . 1 . . . . . 153 LEU C . 51399 1 1598 . 1 . 1 153 153 LEU CA C 13 58.637 0.3 . 1 . . . . . 153 LEU CA . 51399 1 1599 . 1 . 1 153 153 LEU CB C 13 41.601 0.3 . 1 . . . . . 153 LEU CB . 51399 1 1600 . 1 . 1 153 153 LEU CG C 13 26.728 0.3 . 1 . . . . . 153 LEU CG . 51399 1 1601 . 1 . 1 153 153 LEU CD1 C 13 25.342 0.3 . 1 . . . . . 153 LEU CD1 . 51399 1 1602 . 1 . 1 153 153 LEU CD2 C 13 25.043 0.3 . 1 . . . . . 153 LEU CD2 . 51399 1 1603 . 1 . 1 153 153 LEU N N 15 120.968 0.3 . 1 . . . . . 153 LEU N . 51399 1 1604 . 1 . 1 154 154 ILE H H 1 8.507 0.020 . 1 . . . . . 154 ILE H . 51399 1 1605 . 1 . 1 154 154 ILE HA H 1 3.631 0.020 . 1 . . . . . 154 ILE HA . 51399 1 1606 . 1 . 1 154 154 ILE HB H 1 0.782 0.020 . 1 . . . . . 154 ILE HB . 51399 1 1607 . 1 . 1 154 154 ILE HG12 H 1 1.223 0.020 . 2 . . . . . 154 ILE HG12 . 51399 1 1608 . 1 . 1 154 154 ILE HG13 H 1 0.910 0.020 . 2 . . . . . 154 ILE HG13 . 51399 1 1609 . 1 . 1 154 154 ILE HG21 H 1 0.650 0.020 . 1 . . . . . 154 ILE HG2 . 51399 1 1610 . 1 . 1 154 154 ILE HG22 H 1 0.650 0.020 . 1 . . . . . 154 ILE HG2 . 51399 1 1611 . 1 . 1 154 154 ILE HG23 H 1 0.650 0.020 . 1 . . . . . 154 ILE HG2 . 51399 1 1612 . 1 . 1 154 154 ILE HD11 H 1 0.398 0.020 . 1 . . . . . 154 ILE HD1 . 51399 1 1613 . 1 . 1 154 154 ILE HD12 H 1 0.398 0.020 . 1 . . . . . 154 ILE HD1 . 51399 1 1614 . 1 . 1 154 154 ILE HD13 H 1 0.398 0.020 . 1 . . . . . 154 ILE HD1 . 51399 1 1615 . 1 . 1 154 154 ILE C C 13 176.122 0.3 . 1 . . . . . 154 ILE C . 51399 1 1616 . 1 . 1 154 154 ILE CA C 13 65.763 0.3 . 1 . . . . . 154 ILE CA . 51399 1 1617 . 1 . 1 154 154 ILE CB C 13 36.596 0.3 . 1 . . . . . 154 ILE CB . 51399 1 1618 . 1 . 1 154 154 ILE CG1 C 13 30.341 0.3 . 1 . . . . . 154 ILE CG1 . 51399 1 1619 . 1 . 1 154 154 ILE CG2 C 13 16.577 0.3 . 1 . . . . . 154 ILE CG2 . 51399 1 1620 . 1 . 1 154 154 ILE CD1 C 13 13.299 0.3 . 1 . . . . . 154 ILE CD1 . 51399 1 1621 . 1 . 1 154 154 ILE N N 15 119.358 0.3 . 1 . . . . . 154 ILE N . 51399 1 1622 . 1 . 1 155 155 ILE H H 1 7.285 0.020 . 1 . . . . . 155 ILE H . 51399 1 1623 . 1 . 1 155 155 ILE HA H 1 3.631 0.020 . 1 . . . . . 155 ILE HA . 51399 1 1624 . 1 . 1 155 155 ILE HB H 1 1.654 0.020 . 1 . . . . . 155 ILE HB . 51399 1 1625 . 1 . 1 155 155 ILE HG12 H 1 1.575 0.020 . 2 . . . . . 155 ILE HG12 . 51399 1 1626 . 1 . 1 155 155 ILE HG13 H 1 0.977 0.020 . 2 . . . . . 155 ILE HG13 . 51399 1 1627 . 1 . 1 155 155 ILE HG21 H 1 0.691 0.020 . 1 . . . . . 155 ILE HG2 . 51399 1 1628 . 1 . 1 155 155 ILE HG22 H 1 0.691 0.020 . 1 . . . . . 155 ILE HG2 . 51399 1 1629 . 1 . 1 155 155 ILE HG23 H 1 0.691 0.020 . 1 . . . . . 155 ILE HG2 . 51399 1 1630 . 1 . 1 155 155 ILE HD11 H 1 0.710 0.020 . 1 . . . . . 155 ILE HD1 . 51399 1 1631 . 1 . 1 155 155 ILE HD12 H 1 0.710 0.020 . 1 . . . . . 155 ILE HD1 . 51399 1 1632 . 1 . 1 155 155 ILE HD13 H 1 0.710 0.020 . 1 . . . . . 155 ILE HD1 . 51399 1 1633 . 1 . 1 155 155 ILE CA C 13 66.660 0.3 . 1 . . . . . 155 ILE CA . 51399 1 1634 . 1 . 1 155 155 ILE CB C 13 37.280 0.3 . 1 . . . . . 155 ILE CB . 51399 1 1635 . 1 . 1 155 155 ILE CG1 C 13 31.270 0.3 . 1 . . . . . 155 ILE CG1 . 51399 1 1636 . 1 . 1 155 155 ILE CG2 C 13 17.219 0.3 . 1 . . . . . 155 ILE CG2 . 51399 1 1637 . 1 . 1 155 155 ILE CD1 C 13 14.590 0.3 . 1 . . . . . 155 ILE CD1 . 51399 1 1638 . 1 . 1 155 155 ILE N N 15 123.130 0.3 . 1 . . . . . 155 ILE N . 51399 1 1639 . 1 . 1 156 156 SER H H 1 8.202 0.020 . 1 . . . . . 156 SER H . 51399 1 1640 . 1 . 1 156 156 SER HA H 1 4.068 0.020 . 1 . . . . . 156 SER HA . 51399 1 1641 . 1 . 1 156 156 SER HB2 H 1 3.841 0.020 . 1 . . . . . 156 SER HB2 . 51399 1 1642 . 1 . 1 156 156 SER HB3 H 1 3.841 0.020 . 1 . . . . . 156 SER HB3 . 51399 1 1643 . 1 . 1 156 156 SER CA C 13 62.616 0.3 . 1 . . . . . 156 SER CA . 51399 1 1644 . 1 . 1 156 156 SER CB C 13 64.362 0.3 . 1 . . . . . 156 SER CB . 51399 1 1645 . 1 . 1 156 156 SER N N 15 114.832 0.3 . 1 . . . . . 156 SER N . 51399 1 1646 . 1 . 1 157 157 GLU H H 1 8.476 0.020 . 1 . . . . . 157 GLU H . 51399 1 1647 . 1 . 1 157 157 GLU HA H 1 4.045 0.020 . 1 . . . . . 157 GLU HA . 51399 1 1648 . 1 . 1 157 157 GLU HB2 H 1 2.044 0.020 . 2 . . . . . 157 GLU HB2 . 51399 1 1649 . 1 . 1 157 157 GLU HB3 H 1 2.175 0.020 . 2 . . . . . 157 GLU HB3 . 51399 1 1650 . 1 . 1 157 157 GLU HG2 H 1 2.455 0.020 . 1 . . . . . 157 GLU HG2 . 51399 1 1651 . 1 . 1 157 157 GLU HG3 H 1 2.455 0.020 . 1 . . . . . 157 GLU HG3 . 51399 1 1652 . 1 . 1 157 157 GLU C C 13 179.358 0.3 . 1 . . . . . 157 GLU C . 51399 1 1653 . 1 . 1 157 157 GLU CA C 13 58.971 0.3 . 1 . . . . . 157 GLU CA . 51399 1 1654 . 1 . 1 157 157 GLU CB C 13 29.460 0.3 . 1 . . . . . 157 GLU CB . 51399 1 1655 . 1 . 1 157 157 GLU CG C 13 36.758 0.3 . 1 . . . . . 157 GLU CG . 51399 1 1656 . 1 . 1 157 157 GLU N N 15 122.846 0.3 . 1 . . . . . 157 GLU N . 51399 1 1657 . 1 . 1 158 158 VAL H H 1 8.556 0.020 . 1 . . . . . 158 VAL H . 51399 1 1658 . 1 . 1 158 158 VAL HA H 1 3.602 0.020 . 1 . . . . . 158 VAL HA . 51399 1 1659 . 1 . 1 158 158 VAL HB H 1 2.468 0.020 . 1 . . . . . 158 VAL HB . 51399 1 1660 . 1 . 1 158 158 VAL HG11 H 1 0.972 0.020 . 1 . . . . . 158 VAL HG1 . 51399 1 1661 . 1 . 1 158 158 VAL HG12 H 1 0.972 0.020 . 1 . . . . . 158 VAL HG1 . 51399 1 1662 . 1 . 1 158 158 VAL HG13 H 1 0.972 0.020 . 1 . . . . . 158 VAL HG1 . 51399 1 1663 . 1 . 1 158 158 VAL HG21 H 1 1.209 0.020 . 1 . . . . . 158 VAL HG2 . 51399 1 1664 . 1 . 1 158 158 VAL HG22 H 1 1.209 0.020 . 1 . . . . . 158 VAL HG2 . 51399 1 1665 . 1 . 1 158 158 VAL HG23 H 1 1.209 0.020 . 1 . . . . . 158 VAL HG2 . 51399 1 1666 . 1 . 1 158 158 VAL C C 13 176.550 0.3 . 1 . . . . . 158 VAL C . 51399 1 1667 . 1 . 1 158 158 VAL CA C 13 67.751 0.3 . 1 . . . . . 158 VAL CA . 51399 1 1668 . 1 . 1 158 158 VAL CB C 13 31.381 0.3 . 1 . . . . . 158 VAL CB . 51399 1 1669 . 1 . 1 158 158 VAL CG1 C 13 23.157 0.3 . 1 . . . . . 158 VAL CG1 . 51399 1 1670 . 1 . 1 158 158 VAL CG2 C 13 22.230 0.3 . 1 . . . . . 158 VAL CG2 . 51399 1 1671 . 1 . 1 158 158 VAL N N 15 122.802 0.3 . 1 . . . . . 158 VAL N . 51399 1 1672 . 1 . 1 159 159 PHE H H 1 8.615 0.020 . 1 . . . . . 159 PHE H . 51399 1 1673 . 1 . 1 159 159 PHE HA H 1 4.095 0.020 . 1 . . . . . 159 PHE HA . 51399 1 1674 . 1 . 1 159 159 PHE HB2 H 1 3.375 0.020 . 2 . . . . . 159 PHE HB2 . 51399 1 1675 . 1 . 1 159 159 PHE HB3 H 1 3.129 0.020 . 2 . . . . . 159 PHE HB3 . 51399 1 1676 . 1 . 1 159 159 PHE CA C 13 62.520 0.3 . 1 . . . . . 159 PHE CA . 51399 1 1677 . 1 . 1 159 159 PHE CB C 13 38.667 0.3 . 1 . . . . . 159 PHE CB . 51399 1 1678 . 1 . 1 159 159 PHE N N 15 120.265 0.3 . 1 . . . . . 159 PHE N . 51399 1 1679 . 1 . 1 162 162 SER HA H 1 4.208 0.020 . 1 . . . . . 162 SER HA . 51399 1 1680 . 1 . 1 162 162 SER HB2 H 1 3.974 0.020 . 1 . . . . . 162 SER HB2 . 51399 1 1681 . 1 . 1 162 162 SER HB3 H 1 3.974 0.020 . 1 . . . . . 162 SER HB3 . 51399 1 1682 . 1 . 1 162 162 SER C C 13 174.295 0.3 . 1 . . . . . 162 SER C . 51399 1 1683 . 1 . 1 162 162 SER CA C 13 59.218 0.3 . 1 . . . . . 162 SER CA . 51399 1 1684 . 1 . 1 162 162 SER CB C 13 64.060 0.3 . 1 . . . . . 162 SER CB . 51399 1 1685 . 1 . 1 163 163 SER H H 1 7.868 0.020 . 1 . . . . . 163 SER H . 51399 1 1686 . 1 . 1 163 163 SER HA H 1 4.353 0.020 . 1 . . . . . 163 SER HA . 51399 1 1687 . 1 . 1 163 163 SER HB2 H 1 4.001 0.020 . 1 . . . . . 163 SER HB2 . 51399 1 1688 . 1 . 1 163 163 SER HB3 H 1 4.001 0.020 . 1 . . . . . 163 SER HB3 . 51399 1 1689 . 1 . 1 163 163 SER CA C 13 60.197 0.3 . 1 . . . . . 163 SER CA . 51399 1 1690 . 1 . 1 163 163 SER CB C 13 63.838 0.3 . 1 . . . . . 163 SER CB . 51399 1 1691 . 1 . 1 163 163 SER N N 15 113.541 0.3 . 1 . . . . . 163 SER N . 51399 1 1692 . 1 . 1 168 168 LYS HA H 1 4.390 0.020 . 1 . . . . . 168 LYS HA . 51399 1 1693 . 1 . 1 168 168 LYS HB2 H 1 2.062 0.020 . 2 . . . . . 168 LYS HB2 . 51399 1 1694 . 1 . 1 168 168 LYS HB3 H 1 1.895 0.020 . 2 . . . . . 168 LYS HB3 . 51399 1 1695 . 1 . 1 168 168 LYS HG2 H 1 1.418 0.020 . 1 . . . . . 168 LYS HG2 . 51399 1 1696 . 1 . 1 168 168 LYS HG3 H 1 1.418 0.020 . 1 . . . . . 168 LYS HG3 . 51399 1 1697 . 1 . 1 168 168 LYS HD2 H 1 1.703 0.020 . 1 . . . . . 168 LYS HD2 . 51399 1 1698 . 1 . 1 168 168 LYS HD3 H 1 1.703 0.020 . 1 . . . . . 168 LYS HD3 . 51399 1 1699 . 1 . 1 168 168 LYS HE2 H 1 3.024 0.020 . 1 . . . . . 168 LYS HE2 . 51399 1 1700 . 1 . 1 168 168 LYS HE3 H 1 3.024 0.020 . 1 . . . . . 168 LYS HE3 . 51399 1 1701 . 1 . 1 168 168 LYS C C 13 178.032 0.3 . 1 . . . . . 168 LYS C . 51399 1 1702 . 1 . 1 168 168 LYS CA C 13 57.634 0.3 . 1 . . . . . 168 LYS CA . 51399 1 1703 . 1 . 1 168 168 LYS CB C 13 33.500 0.3 . 1 . . . . . 168 LYS CB . 51399 1 1704 . 1 . 1 168 168 LYS CG C 13 24.728 0.3 . 1 . . . . . 168 LYS CG . 51399 1 1705 . 1 . 1 168 168 LYS CD C 13 28.948 0.3 . 1 . . . . . 168 LYS CD . 51399 1 1706 . 1 . 1 168 168 LYS CE C 13 41.886 0.3 . 1 . . . . . 168 LYS CE . 51399 1 1707 . 1 . 1 169 169 THR H H 1 9.142 0.020 . 1 . . . . . 169 THR H . 51399 1 1708 . 1 . 1 169 169 THR HA H 1 4.460 0.020 . 1 . . . . . 169 THR HA . 51399 1 1709 . 1 . 1 169 169 THR HB H 1 3.703 0.020 . 1 . . . . . 169 THR HB . 51399 1 1710 . 1 . 1 169 169 THR HG21 H 1 0.998 0.020 . 1 . . . . . 169 THR HG2 . 51399 1 1711 . 1 . 1 169 169 THR HG22 H 1 0.998 0.020 . 1 . . . . . 169 THR HG2 . 51399 1 1712 . 1 . 1 169 169 THR HG23 H 1 0.998 0.020 . 1 . . . . . 169 THR HG2 . 51399 1 1713 . 1 . 1 169 169 THR C C 13 174.856 0.3 . 1 . . . . . 169 THR C . 51399 1 1714 . 1 . 1 169 169 THR CA C 13 62.704 0.3 . 1 . . . . . 169 THR CA . 51399 1 1715 . 1 . 1 169 169 THR CB C 13 70.010 0.3 . 1 . . . . . 169 THR CB . 51399 1 1716 . 1 . 1 169 169 THR CG2 C 13 21.280 0.3 . 1 . . . . . 169 THR CG2 . 51399 1 1717 . 1 . 1 169 169 THR N N 15 111.302 0.3 . 1 . . . . . 169 THR N . 51399 1 1718 . 1 . 1 170 170 LEU H H 1 9.121 0.020 . 1 . . . . . 170 LEU H . 51399 1 1719 . 1 . 1 170 170 LEU HA H 1 4.201 0.020 . 1 . . . . . 170 LEU HA . 51399 1 1720 . 1 . 1 170 170 LEU HB2 H 1 1.373 0.020 . 1 . . . . . 170 LEU HB2 . 51399 1 1721 . 1 . 1 170 170 LEU HB3 H 1 1.373 0.020 . 1 . . . . . 170 LEU HB3 . 51399 1 1722 . 1 . 1 170 170 LEU HG H 1 0.835 0.020 . 1 . . . . . 170 LEU HG . 51399 1 1723 . 1 . 1 170 170 LEU HD11 H 1 0.855 0.020 . 1 . . . . . 170 LEU HD1 . 51399 1 1724 . 1 . 1 170 170 LEU HD12 H 1 0.855 0.020 . 1 . . . . . 170 LEU HD1 . 51399 1 1725 . 1 . 1 170 170 LEU HD13 H 1 0.855 0.020 . 1 . . . . . 170 LEU HD1 . 51399 1 1726 . 1 . 1 170 170 LEU HD21 H 1 0.784 0.020 . 1 . . . . . 170 LEU HD2 . 51399 1 1727 . 1 . 1 170 170 LEU HD22 H 1 0.784 0.020 . 1 . . . . . 170 LEU HD2 . 51399 1 1728 . 1 . 1 170 170 LEU HD23 H 1 0.784 0.020 . 1 . . . . . 170 LEU HD2 . 51399 1 1729 . 1 . 1 170 170 LEU C C 13 175.913 0.3 . 1 . . . . . 170 LEU C . 51399 1 1730 . 1 . 1 170 170 LEU CA C 13 57.606 0.3 . 1 . . . . . 170 LEU CA . 51399 1 1731 . 1 . 1 170 170 LEU CB C 13 41.625 0.3 . 1 . . . . . 170 LEU CB . 51399 1 1732 . 1 . 1 170 170 LEU CG C 13 26.600 0.3 . 1 . . . . . 170 LEU CG . 51399 1 1733 . 1 . 1 170 170 LEU CD1 C 13 25.030 0.3 . 1 . . . . . 170 LEU CD1 . 51399 1 1734 . 1 . 1 170 170 LEU CD2 C 13 23.468 0.3 . 1 . . . . . 170 LEU CD2 . 51399 1 1735 . 1 . 1 170 170 LEU N N 15 127.592 0.3 . 1 . . . . . 170 LEU N . 51399 1 1736 . 1 . 1 171 171 GLN H H 1 9.121 0.020 . 1 . . . . . 171 GLN H . 51399 1 1737 . 1 . 1 171 171 GLN HA H 1 4.674 0.020 . 1 . . . . . 171 GLN HA . 51399 1 1738 . 1 . 1 171 171 GLN HB2 H 1 2.232 0.020 . 2 . . . . . 171 GLN HB2 . 51399 1 1739 . 1 . 1 171 171 GLN HB3 H 1 2.012 0.020 . 2 . . . . . 171 GLN HB3 . 51399 1 1740 . 1 . 1 171 171 GLN HG2 H 1 2.537 0.020 . 2 . . . . . 171 GLN HG2 . 51399 1 1741 . 1 . 1 171 171 GLN HG3 H 1 2.466 0.020 . 2 . . . . . 171 GLN HG3 . 51399 1 1742 . 1 . 1 171 171 GLN C C 13 176.128 0.3 . 1 . . . . . 171 GLN C . 51399 1 1743 . 1 . 1 171 171 GLN CA C 13 56.269 0.3 . 1 . . . . . 171 GLN CA . 51399 1 1744 . 1 . 1 171 171 GLN CB C 13 33.156 0.3 . 1 . . . . . 171 GLN CB . 51399 1 1745 . 1 . 1 171 171 GLN CG C 13 33.774 0.3 . 1 . . . . . 171 GLN CG . 51399 1 1746 . 1 . 1 171 171 GLN N N 15 123.985 0.3 . 1 . . . . . 171 GLN N . 51399 1 1747 . 1 . 1 172 172 GLU H H 1 7.876 0.020 . 1 . . . . . 172 GLU H . 51399 1 1748 . 1 . 1 172 172 GLU HA H 1 5.495 0.020 . 1 . . . . . 172 GLU HA . 51399 1 1749 . 1 . 1 172 172 GLU HB2 H 1 1.970 0.020 . 2 . . . . . 172 GLU HB2 . 51399 1 1750 . 1 . 1 172 172 GLU HB3 H 1 1.845 0.020 . 2 . . . . . 172 GLU HB3 . 51399 1 1751 . 1 . 1 172 172 GLU HG2 H 1 2.196 0.020 . 1 . . . . . 172 GLU HG2 . 51399 1 1752 . 1 . 1 172 172 GLU HG3 H 1 2.196 0.020 . 1 . . . . . 172 GLU HG3 . 51399 1 1753 . 1 . 1 172 172 GLU C C 13 174.112 0.3 . 1 . . . . . 172 GLU C . 51399 1 1754 . 1 . 1 172 172 GLU CA C 13 54.842 0.3 . 1 . . . . . 172 GLU CA . 51399 1 1755 . 1 . 1 172 172 GLU CB C 13 34.885 0.3 . 1 . . . . . 172 GLU CB . 51399 1 1756 . 1 . 1 172 172 GLU CG C 13 35.952 0.3 . 1 . . . . . 172 GLU CG . 51399 1 1757 . 1 . 1 172 172 GLU N N 15 118.064 0.3 . 1 . . . . . 172 GLU N . 51399 1 1758 . 1 . 1 173 173 VAL H H 1 9.086 0.020 . 1 . . . . . 173 VAL H . 51399 1 1759 . 1 . 1 173 173 VAL HA H 1 4.670 0.020 . 1 . . . . . 173 VAL HA . 51399 1 1760 . 1 . 1 173 173 VAL HB H 1 1.918 0.020 . 1 . . . . . 173 VAL HB . 51399 1 1761 . 1 . 1 173 173 VAL HG11 H 1 0.758 0.020 . 1 . . . . . 173 VAL HG1 . 51399 1 1762 . 1 . 1 173 173 VAL HG12 H 1 0.758 0.020 . 1 . . . . . 173 VAL HG1 . 51399 1 1763 . 1 . 1 173 173 VAL HG13 H 1 0.758 0.020 . 1 . . . . . 173 VAL HG1 . 51399 1 1764 . 1 . 1 173 173 VAL HG21 H 1 0.702 0.020 . 1 . . . . . 173 VAL HG2 . 51399 1 1765 . 1 . 1 173 173 VAL HG22 H 1 0.702 0.020 . 1 . . . . . 173 VAL HG2 . 51399 1 1766 . 1 . 1 173 173 VAL HG23 H 1 0.702 0.020 . 1 . . . . . 173 VAL HG2 . 51399 1 1767 . 1 . 1 173 173 VAL C C 13 173.853 0.3 . 1 . . . . . 173 VAL C . 51399 1 1768 . 1 . 1 173 173 VAL CA C 13 60.810 0.3 . 1 . . . . . 173 VAL CA . 51399 1 1769 . 1 . 1 173 173 VAL CB C 13 33.965 0.3 . 1 . . . . . 173 VAL CB . 51399 1 1770 . 1 . 1 173 173 VAL CG1 C 13 22.243 0.3 . 1 . . . . . 173 VAL CG1 . 51399 1 1771 . 1 . 1 173 173 VAL CG2 C 13 20.597 0.3 . 1 . . . . . 173 VAL CG2 . 51399 1 1772 . 1 . 1 173 173 VAL N N 15 122.791 0.3 . 1 . . . . . 173 VAL N . 51399 1 1773 . 1 . 1 174 174 HIS H H 1 9.529 0.020 . 1 . . . . . 174 HIS H . 51399 1 1774 . 1 . 1 174 174 HIS HA H 1 5.186 0.020 . 1 . . . . . 174 HIS HA . 51399 1 1775 . 1 . 1 174 174 HIS HB2 H 1 2.865 0.020 . 2 . . . . . 174 HIS HB2 . 51399 1 1776 . 1 . 1 174 174 HIS HB3 H 1 2.740 0.020 . 2 . . . . . 174 HIS HB3 . 51399 1 1777 . 1 . 1 174 174 HIS C C 13 173.932 0.3 . 1 . . . . . 174 HIS C . 51399 1 1778 . 1 . 1 174 174 HIS CA C 13 53.121 0.3 . 1 . . . . . 174 HIS CA . 51399 1 1779 . 1 . 1 174 174 HIS CB C 13 33.858 0.3 . 1 . . . . . 174 HIS CB . 51399 1 1780 . 1 . 1 174 174 HIS N N 15 126.859 0.3 . 1 . . . . . 174 HIS N . 51399 1 1781 . 1 . 1 175 175 PHE H H 1 9.263 0.020 . 1 . . . . . 175 PHE H . 51399 1 1782 . 1 . 1 175 175 PHE HA H 1 5.743 0.020 . 1 . . . . . 175 PHE HA . 51399 1 1783 . 1 . 1 175 175 PHE HB2 H 1 2.819 0.020 . 2 . . . . . 175 PHE HB2 . 51399 1 1784 . 1 . 1 175 175 PHE HB3 H 1 2.441 0.020 . 2 . . . . . 175 PHE HB3 . 51399 1 1785 . 1 . 1 175 175 PHE C C 13 173.327 0.3 . 1 . . . . . 175 PHE C . 51399 1 1786 . 1 . 1 175 175 PHE CA C 13 55.280 0.3 . 1 . . . . . 175 PHE CA . 51399 1 1787 . 1 . 1 175 175 PHE CB C 13 38.508 0.3 . 1 . . . . . 175 PHE CB . 51399 1 1788 . 1 . 1 175 175 PHE N N 15 123.804 0.3 . 1 . . . . . 175 PHE N . 51399 1 1789 . 1 . 1 176 176 LEU H H 1 8.075 0.020 . 1 . . . . . 176 LEU H . 51399 1 1790 . 1 . 1 176 176 LEU HA H 1 4.985 0.020 . 1 . . . . . 176 LEU HA . 51399 1 1791 . 1 . 1 176 176 LEU HB2 H 1 1.761 0.020 . 2 . . . . . 176 LEU HB2 . 51399 1 1792 . 1 . 1 176 176 LEU HB3 H 1 1.414 0.020 . 2 . . . . . 176 LEU HB3 . 51399 1 1793 . 1 . 1 176 176 LEU HG H 1 1.722 0.020 . 1 . . . . . 176 LEU HG . 51399 1 1794 . 1 . 1 176 176 LEU HD11 H 1 0.800 0.020 . 2 . . . . . 176 LEU HD1 . 51399 1 1795 . 1 . 1 176 176 LEU HD12 H 1 0.800 0.020 . 2 . . . . . 176 LEU HD1 . 51399 1 1796 . 1 . 1 176 176 LEU HD13 H 1 0.800 0.020 . 2 . . . . . 176 LEU HD1 . 51399 1 1797 . 1 . 1 176 176 LEU HD21 H 1 0.864 0.020 . 2 . . . . . 176 LEU HD2 . 51399 1 1798 . 1 . 1 176 176 LEU HD22 H 1 0.864 0.020 . 2 . . . . . 176 LEU HD2 . 51399 1 1799 . 1 . 1 176 176 LEU HD23 H 1 0.864 0.020 . 2 . . . . . 176 LEU HD2 . 51399 1 1800 . 1 . 1 176 176 LEU C C 13 174.832 0.3 . 1 . . . . . 176 LEU C . 51399 1 1801 . 1 . 1 176 176 LEU CA C 13 52.452 0.3 . 1 . . . . . 176 LEU CA . 51399 1 1802 . 1 . 1 176 176 LEU CB C 13 41.318 0.3 . 1 . . . . . 176 LEU CB . 51399 1 1803 . 1 . 1 176 176 LEU CG C 13 28.815 0.3 . 1 . . . . . 176 LEU CG . 51399 1 1804 . 1 . 1 176 176 LEU CD1 C 13 25.343 0.3 . 1 . . . . . 176 LEU CD1 . 51399 1 1805 . 1 . 1 176 176 LEU CD2 C 13 25.048 0.3 . 1 . . . . . 176 LEU CD2 . 51399 1 1806 . 1 . 1 176 176 LEU N N 15 128.831 0.3 . 1 . . . . . 176 LEU N . 51399 1 1807 . 1 . 1 177 177 LEU H H 1 8.885 0.020 . 1 . . . . . 177 LEU H . 51399 1 1808 . 1 . 1 177 177 LEU HA H 1 4.628 0.020 . 1 . . . . . 177 LEU HA . 51399 1 1809 . 1 . 1 177 177 LEU HB2 H 1 1.422 0.020 . 2 . . . . . 177 LEU HB2 . 51399 1 1810 . 1 . 1 177 177 LEU HB3 H 1 1.233 0.020 . 2 . . . . . 177 LEU HB3 . 51399 1 1811 . 1 . 1 177 177 LEU HG H 1 0.509 0.020 . 1 . . . . . 177 LEU HG . 51399 1 1812 . 1 . 1 177 177 LEU HD11 H 1 0.288 0.020 . 2 . . . . . 177 LEU HD1 . 51399 1 1813 . 1 . 1 177 177 LEU HD12 H 1 0.288 0.020 . 2 . . . . . 177 LEU HD1 . 51399 1 1814 . 1 . 1 177 177 LEU HD13 H 1 0.288 0.020 . 2 . . . . . 177 LEU HD1 . 51399 1 1815 . 1 . 1 177 177 LEU HD21 H 1 0.288 0.020 . 2 . . . . . 177 LEU HD2 . 51399 1 1816 . 1 . 1 177 177 LEU HD22 H 1 0.288 0.020 . 2 . . . . . 177 LEU HD2 . 51399 1 1817 . 1 . 1 177 177 LEU HD23 H 1 0.288 0.020 . 2 . . . . . 177 LEU HD2 . 51399 1 1818 . 1 . 1 177 177 LEU C C 13 174.342 0.3 . 1 . . . . . 177 LEU C . 51399 1 1819 . 1 . 1 177 177 LEU CA C 13 51.672 0.3 . 1 . . . . . 177 LEU CA . 51399 1 1820 . 1 . 1 177 177 LEU CB C 13 41.889 0.3 . 1 . . . . . 177 LEU CB . 51399 1 1821 . 1 . 1 177 177 LEU CG C 13 26.279 0.3 . 1 . . . . . 177 LEU CG . 51399 1 1822 . 1 . 1 177 177 LEU CD1 C 13 22.824 0.3 . 1 . . . . . 177 LEU CD1 . 51399 1 1823 . 1 . 1 177 177 LEU CD2 C 13 22.545 0.3 . 1 . . . . . 177 LEU CD2 . 51399 1 1824 . 1 . 1 177 177 LEU N N 15 126.300 0.3 . 1 . . . . . 177 LEU N . 51399 1 1825 . 1 . 1 178 178 HIS H H 1 8.992 0.020 . 1 . . . . . 178 HIS H . 51399 1 1826 . 1 . 1 178 178 HIS HA H 1 3.581 0.020 . 1 . . . . . 178 HIS HA . 51399 1 1827 . 1 . 1 178 178 HIS HB2 H 1 2.626 0.020 . 1 . . . . . 178 HIS HB2 . 51399 1 1828 . 1 . 1 178 178 HIS HB3 H 1 2.626 0.020 . 1 . . . . . 178 HIS HB3 . 51399 1 1829 . 1 . 1 178 178 HIS CA C 13 56.269 0.3 . 1 . . . . . 178 HIS CA . 51399 1 1830 . 1 . 1 178 178 HIS CB C 13 30.373 0.3 . 1 . . . . . 178 HIS CB . 51399 1 1831 . 1 . 1 178 178 HIS N N 15 124.274 0.3 . 1 . . . . . 178 HIS N . 51399 1 1832 . 1 . 1 179 179 PRO HA H 1 3.848 0.020 . 1 . . . . . 179 PRO HA . 51399 1 1833 . 1 . 1 179 179 PRO HB2 H 1 2.083 0.020 . 2 . . . . . 179 PRO HB2 . 51399 1 1834 . 1 . 1 179 179 PRO HB3 H 1 1.765 0.020 . 2 . . . . . 179 PRO HB3 . 51399 1 1835 . 1 . 1 179 179 PRO HG2 H 1 1.826 0.020 . 2 . . . . . 179 PRO HG2 . 51399 1 1836 . 1 . 1 179 179 PRO HG3 H 1 1.973 0.020 . 2 . . . . . 179 PRO HG3 . 51399 1 1837 . 1 . 1 179 179 PRO HD2 H 1 2.974 0.020 . 2 . . . . . 179 PRO HD2 . 51399 1 1838 . 1 . 1 179 179 PRO HD3 H 1 1.989 0.020 . 2 . . . . . 179 PRO HD3 . 51399 1 1839 . 1 . 1 179 179 PRO C C 13 177.119 0.3 . 1 . . . . . 179 PRO C . 51399 1 1840 . 1 . 1 179 179 PRO CA C 13 64.800 0.3 . 1 . . . . . 179 PRO CA . 51399 1 1841 . 1 . 1 179 179 PRO CB C 13 31.573 0.3 . 1 . . . . . 179 PRO CB . 51399 1 1842 . 1 . 1 179 179 PRO CG C 13 27.046 0.3 . 1 . . . . . 179 PRO CG . 51399 1 1843 . 1 . 1 179 179 PRO CD C 13 49.408 0.3 . 1 . . . . . 179 PRO CD . 51399 1 1844 . 1 . 1 180 180 SER H H 1 9.662 0.020 . 1 . . . . . 180 SER H . 51399 1 1845 . 1 . 1 180 180 SER HA H 1 4.397 0.020 . 1 . . . . . 180 SER HA . 51399 1 1846 . 1 . 1 180 180 SER HB2 H 1 3.995 0.020 . 2 . . . . . 180 SER HB2 . 51399 1 1847 . 1 . 1 180 180 SER HB3 H 1 3.915 0.020 . 2 . . . . . 180 SER HB3 . 51399 1 1848 . 1 . 1 180 180 SER C C 13 174.617 0.3 . 1 . . . . . 180 SER C . 51399 1 1849 . 1 . 1 180 180 SER CA C 13 58.569 0.3 . 1 . . . . . 180 SER CA . 51399 1 1850 . 1 . 1 180 180 SER CB C 13 63.625 0.3 . 1 . . . . . 180 SER CB . 51399 1 1851 . 1 . 1 180 180 SER N N 15 113.492 0.3 . 1 . . . . . 180 SER N . 51399 1 1852 . 1 . 1 181 181 ASP H H 1 8.521 0.020 . 1 . . . . . 181 ASP H . 51399 1 1853 . 1 . 1 181 181 ASP HA H 1 4.768 0.020 . 1 . . . . . 181 ASP HA . 51399 1 1854 . 1 . 1 181 181 ASP HB2 H 1 3.415 0.020 . 2 . . . . . 181 ASP HB2 . 51399 1 1855 . 1 . 1 181 181 ASP HB3 H 1 2.341 0.020 . 2 . . . . . 181 ASP HB3 . 51399 1 1856 . 1 . 1 181 181 ASP C C 13 175.847 0.3 . 1 . . . . . 181 ASP C . 51399 1 1857 . 1 . 1 181 181 ASP CA C 13 51.227 0.3 . 1 . . . . . 181 ASP CA . 51399 1 1858 . 1 . 1 181 181 ASP CB C 13 38.890 0.3 . 1 . . . . . 181 ASP CB . 51399 1 1859 . 1 . 1 181 181 ASP N N 15 125.179 0.3 . 1 . . . . . 181 ASP N . 51399 1 1860 . 1 . 1 182 182 HIS H H 1 7.746 0.020 . 1 . . . . . 182 HIS H . 51399 1 1861 . 1 . 1 182 182 HIS HA H 1 4.666 0.020 . 1 . . . . . 182 HIS HA . 51399 1 1862 . 1 . 1 182 182 HIS HB2 H 1 3.215 0.020 . 1 . . . . . 182 HIS HB2 . 51399 1 1863 . 1 . 1 182 182 HIS HB3 H 1 3.215 0.020 . 1 . . . . . 182 HIS HB3 . 51399 1 1864 . 1 . 1 182 182 HIS C C 13 177.674 0.3 . 1 . . . . . 182 HIS C . 51399 1 1865 . 1 . 1 182 182 HIS CA C 13 58.151 0.3 . 1 . . . . . 182 HIS CA . 51399 1 1866 . 1 . 1 182 182 HIS CB C 13 29.359 0.3 . 1 . . . . . 182 HIS CB . 51399 1 1867 . 1 . 1 182 182 HIS N N 15 121.721 0.3 . 1 . . . . . 182 HIS N . 51399 1 1868 . 1 . 1 183 183 GLU H H 1 9.092 0.020 . 1 . . . . . 183 GLU H . 51399 1 1869 . 1 . 1 183 183 GLU HA H 1 4.175 0.020 . 1 . . . . . 183 GLU HA . 51399 1 1870 . 1 . 1 183 183 GLU HB2 H 1 1.971 0.020 . 1 . . . . . 183 GLU HB2 . 51399 1 1871 . 1 . 1 183 183 GLU HB3 H 1 1.971 0.020 . 1 . . . . . 183 GLU HB3 . 51399 1 1872 . 1 . 1 183 183 GLU HG2 H 1 2.433 0.020 . 2 . . . . . 183 GLU HG2 . 51399 1 1873 . 1 . 1 183 183 GLU HG3 H 1 2.296 0.020 . 2 . . . . . 183 GLU HG3 . 51399 1 1874 . 1 . 1 183 183 GLU C C 13 179.919 0.3 . 1 . . . . . 183 GLU C . 51399 1 1875 . 1 . 1 183 183 GLU CA C 13 59.231 0.3 . 1 . . . . . 183 GLU CA . 51399 1 1876 . 1 . 1 183 183 GLU CB C 13 30.186 0.3 . 1 . . . . . 183 GLU CB . 51399 1 1877 . 1 . 1 183 183 GLU CG C 13 36.660 0.3 . 1 . . . . . 183 GLU CG . 51399 1 1878 . 1 . 1 183 183 GLU N N 15 119.199 0.3 . 1 . . . . . 183 GLU N . 51399 1 1879 . 1 . 1 184 184 ASN H H 1 7.554 0.020 . 1 . . . . . 184 ASN H . 51399 1 1880 . 1 . 1 184 184 ASN HA H 1 4.934 0.020 . 1 . . . . . 184 ASN HA . 51399 1 1881 . 1 . 1 184 184 ASN HB2 H 1 2.728 0.020 . 2 . . . . . 184 ASN HB2 . 51399 1 1882 . 1 . 1 184 184 ASN HB3 H 1 2.547 0.020 . 2 . . . . . 184 ASN HB3 . 51399 1 1883 . 1 . 1 184 184 ASN C C 13 178.080 0.3 . 1 . . . . . 184 ASN C . 51399 1 1884 . 1 . 1 184 184 ASN CA C 13 55.921 0.3 . 1 . . . . . 184 ASN CA . 51399 1 1885 . 1 . 1 184 184 ASN CB C 13 38.218 0.3 . 1 . . . . . 184 ASN CB . 51399 1 1886 . 1 . 1 184 184 ASN N N 15 120.445 0.3 . 1 . . . . . 184 ASN N . 51399 1 1887 . 1 . 1 185 185 ILE H H 1 8.306 0.020 . 1 . . . . . 185 ILE H . 51399 1 1888 . 1 . 1 185 185 ILE HA H 1 3.524 0.020 . 1 . . . . . 185 ILE HA . 51399 1 1889 . 1 . 1 185 185 ILE HB H 1 1.785 0.020 . 1 . . . . . 185 ILE HB . 51399 1 1890 . 1 . 1 185 185 ILE HG12 H 1 0.586 0.020 . 1 . . . . . 185 ILE HG12 . 51399 1 1891 . 1 . 1 185 185 ILE HG13 H 1 0.586 0.020 . 1 . . . . . 185 ILE HG13 . 51399 1 1892 . 1 . 1 185 185 ILE HG21 H 1 0.839 0.020 . 1 . . . . . 185 ILE HG2 . 51399 1 1893 . 1 . 1 185 185 ILE HG22 H 1 0.839 0.020 . 1 . . . . . 185 ILE HG2 . 51399 1 1894 . 1 . 1 185 185 ILE HG23 H 1 0.839 0.020 . 1 . . . . . 185 ILE HG2 . 51399 1 1895 . 1 . 1 185 185 ILE HD11 H 1 0.704 0.020 . 1 . . . . . 185 ILE HD1 . 51399 1 1896 . 1 . 1 185 185 ILE HD12 H 1 0.704 0.020 . 1 . . . . . 185 ILE HD1 . 51399 1 1897 . 1 . 1 185 185 ILE HD13 H 1 0.704 0.020 . 1 . . . . . 185 ILE HD1 . 51399 1 1898 . 1 . 1 185 185 ILE C C 13 178.940 0.3 . 1 . . . . . 185 ILE C . 51399 1 1899 . 1 . 1 185 185 ILE CA C 13 66.549 0.3 . 1 . . . . . 185 ILE CA . 51399 1 1900 . 1 . 1 185 185 ILE CB C 13 38.195 0.3 . 1 . . . . . 185 ILE CB . 51399 1 1901 . 1 . 1 185 185 ILE CG1 C 13 30.967 0.3 . 1 . . . . . 185 ILE CG1 . 51399 1 1902 . 1 . 1 185 185 ILE CG2 C 13 17.220 0.3 . 1 . . . . . 185 ILE CG2 . 51399 1 1903 . 1 . 1 185 185 ILE CD1 C 13 13.765 0.3 . 1 . . . . . 185 ILE CD1 . 51399 1 1904 . 1 . 1 185 185 ILE N N 15 120.068 0.3 . 1 . . . . . 185 ILE N . 51399 1 1905 . 1 . 1 186 186 GLN H H 1 8.542 0.020 . 1 . . . . . 186 GLN H . 51399 1 1906 . 1 . 1 186 186 GLN HA H 1 3.936 0.020 . 1 . . . . . 186 GLN HA . 51399 1 1907 . 1 . 1 186 186 GLN HB2 H 1 2.172 0.020 . 1 . . . . . 186 GLN HB2 . 51399 1 1908 . 1 . 1 186 186 GLN HB3 H 1 2.172 0.020 . 1 . . . . . 186 GLN HB3 . 51399 1 1909 . 1 . 1 186 186 GLN HG2 H 1 2.395 0.020 . 1 . . . . . 186 GLN HG2 . 51399 1 1910 . 1 . 1 186 186 GLN HG3 H 1 2.395 0.020 . 1 . . . . . 186 GLN HG3 . 51399 1 1911 . 1 . 1 186 186 GLN C C 13 176.862 0.3 . 1 . . . . . 186 GLN C . 51399 1 1912 . 1 . 1 186 186 GLN CA C 13 58.804 0.3 . 1 . . . . . 186 GLN CA . 51399 1 1913 . 1 . 1 186 186 GLN CB C 13 28.514 0.3 . 1 . . . . . 186 GLN CB . 51399 1 1914 . 1 . 1 186 186 GLN CG C 13 33.423 0.3 . 1 . . . . . 186 GLN CG . 51399 1 1915 . 1 . 1 186 186 GLN N N 15 121.257 0.3 . 1 . . . . . 186 GLN N . 51399 1 1916 . 1 . 1 187 187 ALA H H 1 8.001 0.020 . 1 . . . . . 187 ALA H . 51399 1 1917 . 1 . 1 187 187 ALA HA H 1 4.164 0.020 . 1 . . . . . 187 ALA HA . 51399 1 1918 . 1 . 1 187 187 ALA HB1 H 1 1.440 0.020 . 1 . . . . . 187 ALA HB . 51399 1 1919 . 1 . 1 187 187 ALA HB2 H 1 1.440 0.020 . 1 . . . . . 187 ALA HB . 51399 1 1920 . 1 . 1 187 187 ALA HB3 H 1 1.440 0.020 . 1 . . . . . 187 ALA HB . 51399 1 1921 . 1 . 1 187 187 ALA C C 13 181.472 0.3 . 1 . . . . . 187 ALA C . 51399 1 1922 . 1 . 1 187 187 ALA CA C 13 55.043 0.3 . 1 . . . . . 187 ALA CA . 51399 1 1923 . 1 . 1 187 187 ALA CB C 13 17.649 0.3 . 1 . . . . . 187 ALA CB . 51399 1 1924 . 1 . 1 187 187 ALA N N 15 120.728 0.3 . 1 . . . . . 187 ALA N . 51399 1 1925 . 1 . 1 188 188 PHE H H 1 8.799 0.020 . 1 . . . . . 188 PHE H . 51399 1 1926 . 1 . 1 188 188 PHE HA H 1 3.797 0.020 . 1 . . . . . 188 PHE HA . 51399 1 1927 . 1 . 1 188 188 PHE HB2 H 1 2.999 0.020 . 2 . . . . . 188 PHE HB2 . 51399 1 1928 . 1 . 1 188 188 PHE HB3 H 1 2.590 0.020 . 2 . . . . . 188 PHE HB3 . 51399 1 1929 . 1 . 1 188 188 PHE CA C 13 62.991 0.3 . 1 . . . . . 188 PHE CA . 51399 1 1930 . 1 . 1 188 188 PHE CB C 13 39.309 0.3 . 1 . . . . . 188 PHE CB . 51399 1 1931 . 1 . 1 188 188 PHE N N 15 116.092 0.3 . 1 . . . . . 188 PHE N . 51399 1 1932 . 1 . 1 189 189 SER HA H 1 3.992 0.020 . 1 . . . . . 189 SER HA . 51399 1 1933 . 1 . 1 189 189 SER HB2 H 1 3.913 0.020 . 1 . . . . . 189 SER HB2 . 51399 1 1934 . 1 . 1 189 189 SER HB3 H 1 3.913 0.020 . 1 . . . . . 189 SER HB3 . 51399 1 1935 . 1 . 1 189 189 SER C C 13 176.972 0.3 . 1 . . . . . 189 SER C . 51399 1 1936 . 1 . 1 189 189 SER CA C 13 62.978 0.3 . 1 . . . . . 189 SER CA . 51399 1 1937 . 1 . 1 189 189 SER CB C 13 63.478 0.3 . 1 . . . . . 189 SER CB . 51399 1 1938 . 1 . 1 190 190 ASP H H 1 8.791 0.020 . 1 . . . . . 190 ASP H . 51399 1 1939 . 1 . 1 190 190 ASP HA H 1 4.450 0.020 . 1 . . . . . 190 ASP HA . 51399 1 1940 . 1 . 1 190 190 ASP HB2 H 1 2.831 0.020 . 2 . . . . . 190 ASP HB2 . 51399 1 1941 . 1 . 1 190 190 ASP HB3 H 1 2.615 0.020 . 2 . . . . . 190 ASP HB3 . 51399 1 1942 . 1 . 1 190 190 ASP C C 13 178.892 0.3 . 1 . . . . . 190 ASP C . 51399 1 1943 . 1 . 1 190 190 ASP CA C 13 57.244 0.3 . 1 . . . . . 190 ASP CA . 51399 1 1944 . 1 . 1 190 190 ASP CB C 13 39.741 0.3 . 1 . . . . . 190 ASP CB . 51399 1 1945 . 1 . 1 190 190 ASP N N 15 122.221 0.3 . 1 . . . . . 190 ASP N . 51399 1 1946 . 1 . 1 191 191 GLU H H 1 7.602 0.020 . 1 . . . . . 191 GLU H . 51399 1 1947 . 1 . 1 191 191 GLU HA H 1 3.900 0.020 . 1 . . . . . 191 GLU HA . 51399 1 1948 . 1 . 1 191 191 GLU HB2 H 1 2.134 0.020 . 2 . . . . . 191 GLU HB2 . 51399 1 1949 . 1 . 1 191 191 GLU HB3 H 1 2.013 0.020 . 2 . . . . . 191 GLU HB3 . 51399 1 1950 . 1 . 1 191 191 GLU HG2 H 1 2.453 0.020 . 2 . . . . . 191 GLU HG2 . 51399 1 1951 . 1 . 1 191 191 GLU HG3 H 1 2.232 0.020 . 2 . . . . . 191 GLU HG3 . 51399 1 1952 . 1 . 1 191 191 GLU C C 13 177.961 0.3 . 1 . . . . . 191 GLU C . 51399 1 1953 . 1 . 1 191 191 GLU CA C 13 58.741 0.3 . 1 . . . . . 191 GLU CA . 51399 1 1954 . 1 . 1 191 191 GLU CB C 13 29.407 0.3 . 1 . . . . . 191 GLU CB . 51399 1 1955 . 1 . 1 191 191 GLU CG C 13 36.596 0.3 . 1 . . . . . 191 GLU CG . 51399 1 1956 . 1 . 1 191 191 GLU N N 15 120.994 0.3 . 1 . . . . . 191 GLU N . 51399 1 1957 . 1 . 1 192 192 PHE H H 1 8.884 0.020 . 1 . . . . . 192 PHE H . 51399 1 1958 . 1 . 1 192 192 PHE HA H 1 4.047 0.020 . 1 . . . . . 192 PHE HA . 51399 1 1959 . 1 . 1 192 192 PHE HB2 H 1 3.441 0.020 . 2 . . . . . 192 PHE HB2 . 51399 1 1960 . 1 . 1 192 192 PHE HB3 H 1 2.765 0.020 . 2 . . . . . 192 PHE HB3 . 51399 1 1961 . 1 . 1 192 192 PHE C C 13 178.271 0.3 . 1 . . . . . 192 PHE C . 51399 1 1962 . 1 . 1 192 192 PHE CA C 13 61.581 0.3 . 1 . . . . . 192 PHE CA . 51399 1 1963 . 1 . 1 192 192 PHE CB C 13 37.894 0.3 . 1 . . . . . 192 PHE CB . 51399 1 1964 . 1 . 1 192 192 PHE N N 15 121.061 0.3 . 1 . . . . . 192 PHE N . 51399 1 1965 . 1 . 1 193 193 ALA H H 1 8.012 0.020 . 1 . . . . . 193 ALA H . 51399 1 1966 . 1 . 1 193 193 ALA HA H 1 4.116 0.020 . 1 . . . . . 193 ALA HA . 51399 1 1967 . 1 . 1 193 193 ALA HB1 H 1 1.550 0.020 . 1 . . . . . 193 ALA HB . 51399 1 1968 . 1 . 1 193 193 ALA HB2 H 1 1.550 0.020 . 1 . . . . . 193 ALA HB . 51399 1 1969 . 1 . 1 193 193 ALA HB3 H 1 1.550 0.020 . 1 . . . . . 193 ALA HB . 51399 1 1970 . 1 . 1 193 193 ALA C C 13 180.373 0.3 . 1 . . . . . 193 ALA C . 51399 1 1971 . 1 . 1 193 193 ALA CA C 13 54.952 0.3 . 1 . . . . . 193 ALA CA . 51399 1 1972 . 1 . 1 193 193 ALA CB C 13 17.796 0.3 . 1 . . . . . 193 ALA CB . 51399 1 1973 . 1 . 1 193 193 ALA N N 15 118.639 0.3 . 1 . . . . . 193 ALA N . 51399 1 1974 . 1 . 1 194 194 ARG H H 1 7.801 0.020 . 1 . . . . . 194 ARG H . 51399 1 1975 . 1 . 1 194 194 ARG HA H 1 4.117 0.020 . 1 . . . . . 194 ARG HA . 51399 1 1976 . 1 . 1 194 194 ARG HB2 H 1 1.919 0.020 . 1 . . . . . 194 ARG HB2 . 51399 1 1977 . 1 . 1 194 194 ARG HB3 H 1 1.919 0.020 . 1 . . . . . 194 ARG HB3 . 51399 1 1978 . 1 . 1 194 194 ARG HG2 H 1 1.715 0.020 . 1 . . . . . 194 ARG HG2 . 51399 1 1979 . 1 . 1 194 194 ARG HG3 H 1 1.715 0.020 . 1 . . . . . 194 ARG HG3 . 51399 1 1980 . 1 . 1 194 194 ARG HD2 H 1 3.138 0.020 . 1 . . . . . 194 ARG HD2 . 51399 1 1981 . 1 . 1 194 194 ARG HD3 H 1 3.138 0.020 . 1 . . . . . 194 ARG HD3 . 51399 1 1982 . 1 . 1 194 194 ARG C C 13 178.235 0.3 . 1 . . . . . 194 ARG C . 51399 1 1983 . 1 . 1 194 194 ARG CA C 13 58.581 0.3 . 1 . . . . . 194 ARG CA . 51399 1 1984 . 1 . 1 194 194 ARG CB C 13 30.589 0.3 . 1 . . . . . 194 ARG CB . 51399 1 1985 . 1 . 1 194 194 ARG CG C 13 27.820 0.3 . 1 . . . . . 194 ARG CG . 51399 1 1986 . 1 . 1 194 194 ARG CD C 13 43.154 0.3 . 1 . . . . . 194 ARG CD . 51399 1 1987 . 1 . 1 194 194 ARG N N 15 116.933 0.3 . 1 . . . . . 194 ARG N . 51399 1 1988 . 1 . 1 195 195 ARG H H 1 7.544 0.020 . 1 . . . . . 195 ARG H . 51399 1 1989 . 1 . 1 195 195 ARG HA H 1 4.243 0.020 . 1 . . . . . 195 ARG HA . 51399 1 1990 . 1 . 1 195 195 ARG HB2 H 1 1.877 0.020 . 1 . . . . . 195 ARG HB2 . 51399 1 1991 . 1 . 1 195 195 ARG HB3 H 1 1.877 0.020 . 1 . . . . . 195 ARG HB3 . 51399 1 1992 . 1 . 1 195 195 ARG HG2 H 1 1.638 0.020 . 1 . . . . . 195 ARG HG2 . 51399 1 1993 . 1 . 1 195 195 ARG HG3 H 1 1.638 0.020 . 1 . . . . . 195 ARG HG3 . 51399 1 1994 . 1 . 1 195 195 ARG HD2 H 1 2.783 0.020 . 2 . . . . . 195 ARG HD2 . 51399 1 1995 . 1 . 1 195 195 ARG HD3 H 1 2.605 0.020 . 2 . . . . . 195 ARG HD3 . 51399 1 1996 . 1 . 1 195 195 ARG C C 13 175.978 0.3 . 1 . . . . . 195 ARG C . 51399 1 1997 . 1 . 1 195 195 ARG CA C 13 55.550 0.3 . 1 . . . . . 195 ARG CA . 51399 1 1998 . 1 . 1 195 195 ARG CB C 13 30.589 0.3 . 1 . . . . . 195 ARG CB . 51399 1 1999 . 1 . 1 195 195 ARG CG C 13 27.847 0.3 . 1 . . . . . 195 ARG CG . 51399 1 2000 . 1 . 1 195 195 ARG CD C 13 42.892 0.3 . 1 . . . . . 195 ARG CD . 51399 1 2001 . 1 . 1 195 195 ARG N N 15 116.054 0.3 . 1 . . . . . 195 ARG N . 51399 1 2002 . 1 . 1 196 196 ALA H H 1 7.482 0.020 . 1 . . . . . 196 ALA H . 51399 1 2003 . 1 . 1 196 196 ALA HA H 1 4.261 0.020 . 1 . . . . . 196 ALA HA . 51399 1 2004 . 1 . 1 196 196 ALA HB1 H 1 1.506 0.020 . 1 . . . . . 196 ALA HB . 51399 1 2005 . 1 . 1 196 196 ALA HB2 H 1 1.506 0.020 . 1 . . . . . 196 ALA HB . 51399 1 2006 . 1 . 1 196 196 ALA HB3 H 1 1.506 0.020 . 1 . . . . . 196 ALA HB . 51399 1 2007 . 1 . 1 196 196 ALA C C 13 176.408 0.3 . 1 . . . . . 196 ALA C . 51399 1 2008 . 1 . 1 196 196 ALA CA C 13 52.842 0.3 . 1 . . . . . 196 ALA CA . 51399 1 2009 . 1 . 1 196 196 ALA CB C 13 19.342 0.3 . 1 . . . . . 196 ALA CB . 51399 1 2010 . 1 . 1 196 196 ALA N N 15 122.499 0.3 . 1 . . . . . 196 ALA N . 51399 1 2011 . 1 . 1 197 197 ASN H H 1 7.730 0.020 . 1 . . . . . 197 ASN H . 51399 1 2012 . 1 . 1 197 197 ASN HA H 1 4.495 0.020 . 1 . . . . . 197 ASN HA . 51399 1 2013 . 1 . 1 197 197 ASN HB2 H 1 2.797 0.020 . 2 . . . . . 197 ASN HB2 . 51399 1 2014 . 1 . 1 197 197 ASN HB3 H 1 2.686 0.020 . 2 . . . . . 197 ASN HB3 . 51399 1 2015 . 1 . 1 197 197 ASN CA C 13 54.834 0.3 . 1 . . . . . 197 ASN CA . 51399 1 2016 . 1 . 1 197 197 ASN CB C 13 40.495 0.3 . 1 . . . . . 197 ASN CB . 51399 1 2017 . 1 . 1 197 197 ASN N N 15 122.714 0.3 . 1 . . . . . 197 ASN N . 51399 1 stop_ save_