data_34260 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34260 _Entry.Title ; Structure of Nrd1 CID - Sen1 NIM complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-17 _Entry.Accession_date 2018-04-17 _Entry.Last_release_date 2019-03-18 _Entry.Original_release_date 2019-03-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34260 stop_ 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 O. Jasnovidova O. . . . 34260 2 K. Kubicek K. . . . 34260 3 R. Stefl R. . . . 34260 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CTD-interacting domain' . 34260 TRANSCRIPTION . 34260 helicase . 34260 'transcription termination' . 34260 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34260 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 34260 '15N chemical shifts' 150 34260 '1H chemical shifts' 972 34260 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-01-31 . original BMRB . 34260 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6GC3 . 34260 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34260 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of Nrd1 CID - Sen1 NIM complex ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 O. Jasnovidova O. . . . 34260 1 2 K. Kubicek K. . . . 34260 1 3 R. Stefl R. . . . 34260 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34260 _Assembly.ID 1 _Assembly.Name 'Protein NRD1, Helicase SEN1 (E.C.3.6.4.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity_1 1 $entity_1 A A yes . . . . . . 34260 1 2 entity_2 2 $entity_2 B B no . . . . . . 34260 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34260 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQQDDDFQNFVATLESFKDL KSGISGSRIKKLTTYALDHI DIESKIISLIIDYSRLCPDS HKLGSLYIIDSIGRAYLDET RSNSNSSSNKPGTCAHAINT LGEVIQELLSDAIAKSNQDH KEKIRMLLDIWDRSGLFQKS YLNAIRSKCFAMDLEHHHHH H ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18315.674 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34260 1 2 . GLN . 34260 1 3 . GLN . 34260 1 4 . ASP . 34260 1 5 . ASP . 34260 1 6 . ASP . 34260 1 7 . PHE . 34260 1 8 . GLN . 34260 1 9 . ASN . 34260 1 10 . PHE . 34260 1 11 . VAL . 34260 1 12 . ALA . 34260 1 13 . THR . 34260 1 14 . LEU . 34260 1 15 . GLU . 34260 1 16 . SER . 34260 1 17 . PHE . 34260 1 18 . LYS . 34260 1 19 . ASP . 34260 1 20 . LEU . 34260 1 21 . LYS . 34260 1 22 . SER . 34260 1 23 . GLY . 34260 1 24 . ILE . 34260 1 25 . SER . 34260 1 26 . GLY . 34260 1 27 . SER . 34260 1 28 . ARG . 34260 1 29 . ILE . 34260 1 30 . LYS . 34260 1 31 . LYS . 34260 1 32 . LEU . 34260 1 33 . THR . 34260 1 34 . THR . 34260 1 35 . TYR . 34260 1 36 . ALA . 34260 1 37 . LEU . 34260 1 38 . ASP . 34260 1 39 . HIS . 34260 1 40 . ILE . 34260 1 41 . ASP . 34260 1 42 . ILE . 34260 1 43 . GLU . 34260 1 44 . SER . 34260 1 45 . LYS . 34260 1 46 . ILE . 34260 1 47 . ILE . 34260 1 48 . SER . 34260 1 49 . LEU . 34260 1 50 . ILE . 34260 1 51 . ILE . 34260 1 52 . ASP . 34260 1 53 . TYR . 34260 1 54 . SER . 34260 1 55 . ARG . 34260 1 56 . LEU . 34260 1 57 . CYS . 34260 1 58 . PRO . 34260 1 59 . ASP . 34260 1 60 . SER . 34260 1 61 . HIS . 34260 1 62 . LYS . 34260 1 63 . LEU . 34260 1 64 . GLY . 34260 1 65 . SER . 34260 1 66 . LEU . 34260 1 67 . TYR . 34260 1 68 . ILE . 34260 1 69 . ILE . 34260 1 70 . ASP . 34260 1 71 . SER . 34260 1 72 . ILE . 34260 1 73 . GLY . 34260 1 74 . ARG . 34260 1 75 . ALA . 34260 1 76 . TYR . 34260 1 77 . LEU . 34260 1 78 . ASP . 34260 1 79 . GLU . 34260 1 80 . THR . 34260 1 81 . ARG . 34260 1 82 . SER . 34260 1 83 . ASN . 34260 1 84 . SER . 34260 1 85 . ASN . 34260 1 86 . SER . 34260 1 87 . SER . 34260 1 88 . SER . 34260 1 89 . ASN . 34260 1 90 . LYS . 34260 1 91 . PRO . 34260 1 92 . GLY . 34260 1 93 . THR . 34260 1 94 . CYS . 34260 1 95 . ALA . 34260 1 96 . HIS . 34260 1 97 . ALA . 34260 1 98 . ILE . 34260 1 99 . ASN . 34260 1 100 . THR . 34260 1 101 . LEU . 34260 1 102 . GLY . 34260 1 103 . GLU . 34260 1 104 . VAL . 34260 1 105 . ILE . 34260 1 106 . GLN . 34260 1 107 . GLU . 34260 1 108 . LEU . 34260 1 109 . LEU . 34260 1 110 . SER . 34260 1 111 . ASP . 34260 1 112 . ALA . 34260 1 113 . ILE . 34260 1 114 . ALA . 34260 1 115 . LYS . 34260 1 116 . SER . 34260 1 117 . ASN . 34260 1 118 . GLN . 34260 1 119 . ASP . 34260 1 120 . HIS . 34260 1 121 . LYS . 34260 1 122 . GLU . 34260 1 123 . LYS . 34260 1 124 . ILE . 34260 1 125 . ARG . 34260 1 126 . MET . 34260 1 127 . LEU . 34260 1 128 . LEU . 34260 1 129 . ASP . 34260 1 130 . ILE . 34260 1 131 . TRP . 34260 1 132 . ASP . 34260 1 133 . ARG . 34260 1 134 . SER . 34260 1 135 . GLY . 34260 1 136 . LEU . 34260 1 137 . PHE . 34260 1 138 . GLN . 34260 1 139 . LYS . 34260 1 140 . SER . 34260 1 141 . TYR . 34260 1 142 . LEU . 34260 1 143 . ASN . 34260 1 144 . ALA . 34260 1 145 . ILE . 34260 1 146 . ARG . 34260 1 147 . SER . 34260 1 148 . LYS . 34260 1 149 . CYS . 34260 1 150 . PHE . 34260 1 151 . ALA . 34260 1 152 . MET . 34260 1 153 . ASP . 34260 1 154 . LEU . 34260 1 155 . GLU . 34260 1 156 . HIS . 34260 1 157 . HIS . 34260 1 158 . HIS . 34260 1 159 . HIS . 34260 1 160 . HIS . 34260 1 161 . HIS . 34260 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 . MET 1 1 34260 1 . GLN 2 2 34260 1 . GLN 3 3 34260 1 . ASP 4 4 34260 1 . ASP 5 5 34260 1 . ASP 6 6 34260 1 . PHE 7 7 34260 1 . GLN 8 8 34260 1 . ASN 9 9 34260 1 . PHE 10 10 34260 1 . VAL 11 11 34260 1 . ALA 12 12 34260 1 . THR 13 13 34260 1 . LEU 14 14 34260 1 . GLU 15 15 34260 1 . SER 16 16 34260 1 . PHE 17 17 34260 1 . LYS 18 18 34260 1 . ASP 19 19 34260 1 . LEU 20 20 34260 1 . LYS 21 21 34260 1 . SER 22 22 34260 1 . GLY 23 23 34260 1 . ILE 24 24 34260 1 . SER 25 25 34260 1 . GLY 26 26 34260 1 . SER 27 27 34260 1 . ARG 28 28 34260 1 . ILE 29 29 34260 1 . LYS 30 30 34260 1 . LYS 31 31 34260 1 . LEU 32 32 34260 1 . THR 33 33 34260 1 . THR 34 34 34260 1 . TYR 35 35 34260 1 . ALA 36 36 34260 1 . LEU 37 37 34260 1 . ASP 38 38 34260 1 . HIS 39 39 34260 1 . ILE 40 40 34260 1 . ASP 41 41 34260 1 . ILE 42 42 34260 1 . GLU 43 43 34260 1 . SER 44 44 34260 1 . LYS 45 45 34260 1 . ILE 46 46 34260 1 . ILE 47 47 34260 1 . SER 48 48 34260 1 . LEU 49 49 34260 1 . ILE 50 50 34260 1 . ILE 51 51 34260 1 . ASP 52 52 34260 1 . TYR 53 53 34260 1 . SER 54 54 34260 1 . ARG 55 55 34260 1 . LEU 56 56 34260 1 . CYS 57 57 34260 1 . PRO 58 58 34260 1 . ASP 59 59 34260 1 . SER 60 60 34260 1 . HIS 61 61 34260 1 . LYS 62 62 34260 1 . LEU 63 63 34260 1 . GLY 64 64 34260 1 . SER 65 65 34260 1 . LEU 66 66 34260 1 . TYR 67 67 34260 1 . ILE 68 68 34260 1 . ILE 69 69 34260 1 . ASP 70 70 34260 1 . SER 71 71 34260 1 . ILE 72 72 34260 1 . GLY 73 73 34260 1 . ARG 74 74 34260 1 . ALA 75 75 34260 1 . TYR 76 76 34260 1 . LEU 77 77 34260 1 . ASP 78 78 34260 1 . GLU 79 79 34260 1 . THR 80 80 34260 1 . ARG 81 81 34260 1 . SER 82 82 34260 1 . ASN 83 83 34260 1 . SER 84 84 34260 1 . ASN 85 85 34260 1 . SER 86 86 34260 1 . SER 87 87 34260 1 . SER 88 88 34260 1 . ASN 89 89 34260 1 . LYS 90 90 34260 1 . PRO 91 91 34260 1 . GLY 92 92 34260 1 . THR 93 93 34260 1 . CYS 94 94 34260 1 . ALA 95 95 34260 1 . HIS 96 96 34260 1 . ALA 97 97 34260 1 . ILE 98 98 34260 1 . ASN 99 99 34260 1 . THR 100 100 34260 1 . LEU 101 101 34260 1 . GLY 102 102 34260 1 . GLU 103 103 34260 1 . VAL 104 104 34260 1 . ILE 105 105 34260 1 . GLN 106 106 34260 1 . GLU 107 107 34260 1 . LEU 108 108 34260 1 . LEU 109 109 34260 1 . SER 110 110 34260 1 . ASP 111 111 34260 1 . ALA 112 112 34260 1 . ILE 113 113 34260 1 . ALA 114 114 34260 1 . LYS 115 115 34260 1 . SER 116 116 34260 1 . ASN 117 117 34260 1 . GLN 118 118 34260 1 . ASP 119 119 34260 1 . HIS 120 120 34260 1 . LYS 121 121 34260 1 . GLU 122 122 34260 1 . LYS 123 123 34260 1 . ILE 124 124 34260 1 . ARG 125 125 34260 1 . MET 126 126 34260 1 . LEU 127 127 34260 1 . LEU 128 128 34260 1 . ASP 129 129 34260 1 . ILE 130 130 34260 1 . TRP 131 131 34260 1 . ASP 132 132 34260 1 . ARG 133 133 34260 1 . SER 134 134 34260 1 . GLY 135 135 34260 1 . LEU 136 136 34260 1 . PHE 137 137 34260 1 . GLN 138 138 34260 1 . LYS 139 139 34260 1 . SER 140 140 34260 1 . TYR 141 141 34260 1 . LEU 142 142 34260 1 . ASN 143 143 34260 1 . ALA 144 144 34260 1 . ILE 145 145 34260 1 . ARG 146 146 34260 1 . SER 147 147 34260 1 . LYS 148 148 34260 1 . CYS 149 149 34260 1 . PHE 150 150 34260 1 . ALA 151 151 34260 1 . MET 152 152 34260 1 . ASP 153 153 34260 1 . LEU 154 154 34260 1 . GLU 155 155 34260 1 . HIS 156 156 34260 1 . HIS 157 157 34260 1 . HIS 158 158 34260 1 . HIS 159 159 34260 1 . HIS 160 160 34260 1 . HIS 161 161 34260 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34260 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DDDEDDYTPSIS ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.6.4.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1371.274 _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 'tRNA-splicing endonuclease positive effector' na 34260 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 . ASP . 34260 2 2 . ASP . 34260 2 3 . ASP . 34260 2 4 . GLU . 34260 2 5 . ASP . 34260 2 6 . ASP . 34260 2 7 . TYR . 34260 2 8 . THR . 34260 2 9 . PRO . 34260 2 10 . SER . 34260 2 11 . ILE . 34260 2 12 . SER . 34260 2 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 . ASP 1 1 34260 2 . ASP 2 2 34260 2 . ASP 3 3 34260 2 . GLU 4 4 34260 2 . ASP 5 5 34260 2 . ASP 6 6 34260 2 . TYR 7 7 34260 2 . THR 8 8 34260 2 . PRO 9 9 34260 2 . SER 10 10 34260 2 . ILE 11 11 34260 2 . SER 12 12 34260 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34260 _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 . 559292 organism . 'Saccharomyces cerevisiae S288C' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . 'NRD1, YNL251C, N0868' . 34260 1 2 2 $entity_2 . 559292 organism . 'Saccharomyces cerevisiae S288C' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 34260 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34260 _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' . . 562 Escherichia coli . . . . . . . . . . 34260 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34260 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34260 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-99% 13C; U-99% 15N] CTD-interacting domain of Nrd1, 1.5 mM ASP-ASP-ASP-GLU-ASP-ASP-TYR-THR-PRO-SER-ILE-SER, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CTD-interacting domain of Nrd1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM 0.1 . . . 34260 1 2 ASP-ASP-ASP-GLU-ASP-ASP-TYR-THR-PRO-SER-ILE-SER 'natural abundance' . . 2 $entity_2 . . 1.5 . . mM 0.1 . . . 34260 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 34260 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 34260 1 pH 8.0 . pH 34260 1 pressure 1 . atm 34260 1 temperature 293 . K 34260 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34260 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version 16 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34260 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34260 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34260 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34260 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34260 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34260 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34260 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34260 3 . 'peak picking' 34260 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34260 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34260 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34260 4 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 34260 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34260 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34260 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34260 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 950 . . . 34260 1 2 NMR_spectrometer_2 Bruker AvanceIII . 850 . . . 34260 1 3 NMR_spectrometer_3 Bruker AvanceIII . 700 . . . 34260 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34260 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34260 1 2 HCCCONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34260 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34260 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34260 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34260 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34260 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34260 1 8 '4D HCCH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34260 1 9 'F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34260 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 34260 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 DMSO 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 34260 1 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 34260 1 N 15 urea nitrogen . . . . ppm 75 na direct 1 . . . . . 34260 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 34260 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '3D HNCACB' . . . 34260 1 2 HCCCONH . . . 34260 1 3 '3D 1H-15N NOESY' . . . 34260 1 4 '3D 1H-13C NOESY aliphatic' . . . 34260 1 5 '3D 1H-13C NOESY aromatic' . . . 34260 1 6 '3D HNCA' . . . 34260 1 7 '3D HBHA(CO)NH' . . . 34260 1 8 '4D HCCH TOCSY' . . . 34260 1 9 'F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' . . . 34260 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 4 4 ASP HA H 1 4.518 0 . . . . . . A 4 ASP HA . 34260 1 2 . 1 . 1 4 4 ASP HB2 H 1 2.61 0 . . . . . . A 4 ASP HB2 . 34260 1 3 . 1 . 1 4 4 ASP HB3 H 1 2.61 0 . . . . . . A 4 ASP HB3 . 34260 1 4 . 1 . 1 4 4 ASP CA C 13 51.519 0 . . . . . . A 4 ASP CA . 34260 1 5 . 1 . 1 5 5 ASP H H 1 8.234 0.01 . . . . . . A 5 ASP H . 34260 1 6 . 1 . 1 5 5 ASP HA H 1 4.452 0.004 . . . . . . A 5 ASP HA . 34260 1 7 . 1 . 1 5 5 ASP HB2 H 1 2.628 0.013 . . . . . . A 5 ASP HB2 . 34260 1 8 . 1 . 1 5 5 ASP HB3 H 1 2.628 0.013 . . . . . . A 5 ASP HB3 . 34260 1 9 . 1 . 1 5 5 ASP CA C 13 52.461 0.136 . . . . . . A 5 ASP CA . 34260 1 10 . 1 . 1 5 5 ASP CB C 13 38.377 0.12 . . . . . . A 5 ASP CB . 34260 1 11 . 1 . 1 5 5 ASP N N 15 120.996 0.031 . . . . . . A 5 ASP N . 34260 1 12 . 1 . 1 6 6 ASP H H 1 8.501 0.006 . . . . . . A 6 ASP H . 34260 1 13 . 1 . 1 6 6 ASP HA H 1 4.491 0.012 . . . . . . A 6 ASP HA . 34260 1 14 . 1 . 1 6 6 ASP HB2 H 1 2.818 0.018 . . . . . . A 6 ASP HB2 . 34260 1 15 . 1 . 1 6 6 ASP HB3 H 1 2.818 0.018 . . . . . . A 6 ASP HB3 . 34260 1 16 . 1 . 1 6 6 ASP CA C 13 52.669 0.101 . . . . . . A 6 ASP CA . 34260 1 17 . 1 . 1 6 6 ASP CB C 13 38.146 0.073 . . . . . . A 6 ASP CB . 34260 1 18 . 1 . 1 6 6 ASP N N 15 120.887 0.032 . . . . . . A 6 ASP N . 34260 1 19 . 1 . 1 7 7 PHE H H 1 8.343 0.011 . . . . . . A 7 PHE H . 34260 1 20 . 1 . 1 7 7 PHE HA H 1 4.103 0.019 . . . . . . A 7 PHE HA . 34260 1 21 . 1 . 1 7 7 PHE HB2 H 1 3.115 0.006 . . . . . . A 7 PHE HB2 . 34260 1 22 . 1 . 1 7 7 PHE HB3 H 1 2.805 0.014 . . . . . . A 7 PHE HB3 . 34260 1 23 . 1 . 1 7 7 PHE HD1 H 1 7.145 0.001 . . . . . . A 7 PHE HD1 . 34260 1 24 . 1 . 1 7 7 PHE HD2 H 1 7.145 0.001 . . . . . . A 7 PHE HD2 . 34260 1 25 . 1 . 1 7 7 PHE HE1 H 1 7.148 0.005 . . . . . . A 7 PHE HE1 . 34260 1 26 . 1 . 1 7 7 PHE HE2 H 1 7.148 0.005 . . . . . . A 7 PHE HE2 . 34260 1 27 . 1 . 1 7 7 PHE HZ H 1 6.897 0.004 . . . . . . A 7 PHE HZ . 34260 1 28 . 1 . 1 7 7 PHE CA C 13 58.649 0.092 . . . . . . A 7 PHE CA . 34260 1 29 . 1 . 1 7 7 PHE CB C 13 36.364 0.08 . . . . . . A 7 PHE CB . 34260 1 30 . 1 . 1 7 7 PHE CD1 C 13 129.316 0.035 . . . . . . A 7 PHE CD1 . 34260 1 31 . 1 . 1 7 7 PHE CE1 C 13 127.701 0.009 . . . . . . A 7 PHE CE1 . 34260 1 32 . 1 . 1 7 7 PHE CZ C 13 126.254 0 . . . . . . A 7 PHE CZ . 34260 1 33 . 1 . 1 7 7 PHE N N 15 122.754 0.086 . . . . . . A 7 PHE N . 34260 1 34 . 1 . 1 8 8 GLN H H 1 8.484 0.007 . . . . . . A 8 GLN H . 34260 1 35 . 1 . 1 8 8 GLN HA H 1 3.751 0.007 . . . . . . A 8 GLN HA . 34260 1 36 . 1 . 1 8 8 GLN HB2 H 1 1.977 0.01 . . . . . . A 8 GLN HB2 . 34260 1 37 . 1 . 1 8 8 GLN HB3 H 1 1.968 0.01 . . . . . . A 8 GLN HB3 . 34260 1 38 . 1 . 1 8 8 GLN HG2 H 1 2.353 0.014 . . . . . . A 8 GLN HG2 . 34260 1 39 . 1 . 1 8 8 GLN HG3 H 1 2.353 0.014 . . . . . . A 8 GLN HG3 . 34260 1 40 . 1 . 1 8 8 GLN HE21 H 1 7.493 0.004 . . . . . . A 8 GLN HE21 . 34260 1 41 . 1 . 1 8 8 GLN HE22 H 1 6.847 0.005 . . . . . . A 8 GLN HE22 . 34260 1 42 . 1 . 1 8 8 GLN CA C 13 55.618 0.12 . . . . . . A 8 GLN CA . 34260 1 43 . 1 . 1 8 8 GLN CB C 13 24.526 0.131 . . . . . . A 8 GLN CB . 34260 1 44 . 1 . 1 8 8 GLN CG C 13 30.839 0.124 . . . . . . A 8 GLN CG . 34260 1 45 . 1 . 1 8 8 GLN N N 15 116.233 0.075 . . . . . . A 8 GLN N . 34260 1 46 . 1 . 1 8 8 GLN NE2 N 15 112.121 0.071 . . . . . . A 8 GLN NE2 . 34260 1 47 . 1 . 1 9 9 ASN H H 1 7.807 0.007 . . . . . . A 9 ASN H . 34260 1 48 . 1 . 1 9 9 ASN HA H 1 4.305 0.013 . . . . . . A 9 ASN HA . 34260 1 49 . 1 . 1 9 9 ASN HB2 H 1 2.751 0.026 . . . . . . A 9 ASN HB2 . 34260 1 50 . 1 . 1 9 9 ASN HB3 H 1 2.702 0.016 . . . . . . A 9 ASN HB3 . 34260 1 51 . 1 . 1 9 9 ASN HD21 H 1 7.561 0.002 . . . . . . A 9 ASN HD21 . 34260 1 52 . 1 . 1 9 9 ASN HD22 H 1 6.939 0.007 . . . . . . A 9 ASN HD22 . 34260 1 53 . 1 . 1 9 9 ASN CA C 13 53.2 0.122 . . . . . . A 9 ASN CA . 34260 1 54 . 1 . 1 9 9 ASN CB C 13 35.748 0.172 . . . . . . A 9 ASN CB . 34260 1 55 . 1 . 1 9 9 ASN N N 15 118.245 0.049 . . . . . . A 9 ASN N . 34260 1 56 . 1 . 1 9 9 ASN ND2 N 15 111.603 0.024 . . . . . . A 9 ASN ND2 . 34260 1 57 . 1 . 1 10 10 PHE H H 1 6.939 0.008 . . . . . . A 10 PHE H . 34260 1 58 . 1 . 1 10 10 PHE HA H 1 3.454 0.012 . . . . . . A 10 PHE HA . 34260 1 59 . 1 . 1 10 10 PHE HB2 H 1 2.308 0.008 . . . . . . A 10 PHE HB2 . 34260 1 60 . 1 . 1 10 10 PHE HB3 H 1 1.19 0.017 . . . . . . A 10 PHE HB3 . 34260 1 61 . 1 . 1 10 10 PHE HD1 H 1 6.485 0.007 . . . . . . A 10 PHE HD1 . 34260 1 62 . 1 . 1 10 10 PHE HD2 H 1 6.485 0.007 . . . . . . A 10 PHE HD2 . 34260 1 63 . 1 . 1 10 10 PHE HE1 H 1 6.484 0 . . . . . . A 10 PHE HE1 . 34260 1 64 . 1 . 1 10 10 PHE HE2 H 1 6.484 0 . . . . . . A 10 PHE HE2 . 34260 1 65 . 1 . 1 10 10 PHE CA C 13 58.916 0.107 . . . . . . A 10 PHE CA . 34260 1 66 . 1 . 1 10 10 PHE CB C 13 34.928 0.106 . . . . . . A 10 PHE CB . 34260 1 67 . 1 . 1 10 10 PHE CD1 C 13 130.346 0.019 . . . . . . A 10 PHE CD1 . 34260 1 68 . 1 . 1 10 10 PHE CE1 C 13 130.308 0 . . . . . . A 10 PHE CE1 . 34260 1 69 . 1 . 1 10 10 PHE N N 15 125 0.037 . . . . . . A 10 PHE N . 34260 1 70 . 1 . 1 11 11 VAL H H 1 7.464 0.005 . . . . . . A 11 VAL H . 34260 1 71 . 1 . 1 11 11 VAL HA H 1 2.831 0.013 . . . . . . A 11 VAL HA . 34260 1 72 . 1 . 1 11 11 VAL HB H 1 1.637 0.014 . . . . . . A 11 VAL HB . 34260 1 73 . 1 . 1 11 11 VAL HG11 H 1 0.434 0.005 . . . . . . A 11 VAL HG11 . 34260 1 74 . 1 . 1 11 11 VAL HG12 H 1 0.434 0.005 . . . . . . A 11 VAL HG12 . 34260 1 75 . 1 . 1 11 11 VAL HG13 H 1 0.434 0.005 . . . . . . A 11 VAL HG13 . 34260 1 76 . 1 . 1 11 11 VAL HG21 H 1 0.684 0.075 . . . . . . A 11 VAL HG21 . 34260 1 77 . 1 . 1 11 11 VAL HG22 H 1 0.684 0.075 . . . . . . A 11 VAL HG22 . 34260 1 78 . 1 . 1 11 11 VAL HG23 H 1 0.684 0.075 . . . . . . A 11 VAL HG23 . 34260 1 79 . 1 . 1 11 11 VAL CA C 13 64.018 0.095 . . . . . . A 11 VAL CA . 34260 1 80 . 1 . 1 11 11 VAL CB C 13 29.14 0.106 . . . . . . A 11 VAL CB . 34260 1 81 . 1 . 1 11 11 VAL CG1 C 13 20.504 0.094 . . . . . . A 11 VAL CG1 . 34260 1 82 . 1 . 1 11 11 VAL CG2 C 13 18.48 0.098 . . . . . . A 11 VAL CG2 . 34260 1 83 . 1 . 1 11 11 VAL N N 15 118.525 0.039 . . . . . . A 11 VAL N . 34260 1 84 . 1 . 1 12 12 ALA H H 1 8.022 0.005 . . . . . . A 12 ALA H . 34260 1 85 . 1 . 1 12 12 ALA HA H 1 3.865 0.022 . . . . . . A 12 ALA HA . 34260 1 86 . 1 . 1 12 12 ALA HB1 H 1 1.278 0.007 . . . . . . A 12 ALA HB1 . 34260 1 87 . 1 . 1 12 12 ALA HB2 H 1 1.278 0.007 . . . . . . A 12 ALA HB2 . 34260 1 88 . 1 . 1 12 12 ALA HB3 H 1 1.278 0.007 . . . . . . A 12 ALA HB3 . 34260 1 89 . 1 . 1 12 12 ALA CA C 13 52.117 0.14 . . . . . . A 12 ALA CA . 34260 1 90 . 1 . 1 12 12 ALA CB C 13 15.342 0.179 . . . . . . A 12 ALA CB . 34260 1 91 . 1 . 1 12 12 ALA N N 15 119.18 0.021 . . . . . . A 12 ALA N . 34260 1 92 . 1 . 1 13 13 THR H H 1 7.65 0.004 . . . . . . A 13 THR H . 34260 1 93 . 1 . 1 13 13 THR HA H 1 3.615 0.017 . . . . . . A 13 THR HA . 34260 1 94 . 1 . 1 13 13 THR HB H 1 3.895 0.009 . . . . . . A 13 THR HB . 34260 1 95 . 1 . 1 13 13 THR HG21 H 1 0.905 0.016 . . . . . . A 13 THR HG21 . 34260 1 96 . 1 . 1 13 13 THR HG22 H 1 0.905 0.016 . . . . . . A 13 THR HG22 . 34260 1 97 . 1 . 1 13 13 THR HG23 H 1 0.905 0.016 . . . . . . A 13 THR HG23 . 34260 1 98 . 1 . 1 13 13 THR CA C 13 63.95 0.095 . . . . . . A 13 THR CA . 34260 1 99 . 1 . 1 13 13 THR CB C 13 64.925 0.142 . . . . . . A 13 THR CB . 34260 1 100 . 1 . 1 13 13 THR CG2 C 13 18.89 0.154 . . . . . . A 13 THR CG2 . 34260 1 101 . 1 . 1 13 13 THR N N 15 116.468 0.056 . . . . . . A 13 THR N . 34260 1 102 . 1 . 1 14 14 LEU H H 1 8.014 0.006 . . . . . . A 14 LEU H . 34260 1 103 . 1 . 1 14 14 LEU HA H 1 3.632 0.006 . . . . . . A 14 LEU HA . 34260 1 104 . 1 . 1 14 14 LEU HB2 H 1 1.546 0.015 . . . . . . A 14 LEU HB2 . 34260 1 105 . 1 . 1 14 14 LEU HB3 H 1 0.474 0.01 . . . . . . A 14 LEU HB3 . 34260 1 106 . 1 . 1 14 14 LEU HG H 1 0.879 0.003 . . . . . . A 14 LEU HG . 34260 1 107 . 1 . 1 14 14 LEU HD11 H 1 -0.199 0.009 . . . . . . A 14 LEU HD11 . 34260 1 108 . 1 . 1 14 14 LEU HD12 H 1 -0.199 0.009 . . . . . . A 14 LEU HD12 . 34260 1 109 . 1 . 1 14 14 LEU HD13 H 1 -0.199 0.009 . . . . . . A 14 LEU HD13 . 34260 1 110 . 1 . 1 14 14 LEU HD21 H 1 0.474 0.006 . . . . . . A 14 LEU HD21 . 34260 1 111 . 1 . 1 14 14 LEU HD22 H 1 0.474 0.006 . . . . . . A 14 LEU HD22 . 34260 1 112 . 1 . 1 14 14 LEU HD23 H 1 0.474 0.006 . . . . . . A 14 LEU HD23 . 34260 1 113 . 1 . 1 14 14 LEU CA C 13 55.479 0.111 . . . . . . A 14 LEU CA . 34260 1 114 . 1 . 1 14 14 LEU CB C 13 38.68 0.128 . . . . . . A 14 LEU CB . 34260 1 115 . 1 . 1 14 14 LEU CG C 13 23.697 0 . . . . . . A 14 LEU CG . 34260 1 116 . 1 . 1 14 14 LEU CD1 C 13 20.231 0.139 . . . . . . A 14 LEU CD1 . 34260 1 117 . 1 . 1 14 14 LEU CD2 C 13 24.344 0.169 . . . . . . A 14 LEU CD2 . 34260 1 118 . 1 . 1 14 14 LEU N N 15 126.387 0.067 . . . . . . A 14 LEU N . 34260 1 119 . 1 . 1 15 15 GLU H H 1 8.507 0.009 . . . . . . A 15 GLU H . 34260 1 120 . 1 . 1 15 15 GLU HA H 1 3.82 0.015 . . . . . . A 15 GLU HA . 34260 1 121 . 1 . 1 15 15 GLU HB2 H 1 1.889 0.011 . . . . . . A 15 GLU HB2 . 34260 1 122 . 1 . 1 15 15 GLU HB3 H 1 1.889 0.011 . . . . . . A 15 GLU HB3 . 34260 1 123 . 1 . 1 15 15 GLU HG2 H 1 2.216 0.015 . . . . . . A 15 GLU HG2 . 34260 1 124 . 1 . 1 15 15 GLU HG3 H 1 2.157 0.008 . . . . . . A 15 GLU HG3 . 34260 1 125 . 1 . 1 15 15 GLU CA C 13 56.242 0.157 . . . . . . A 15 GLU CA . 34260 1 126 . 1 . 1 15 15 GLU CB C 13 26.684 0.129 . . . . . . A 15 GLU CB . 34260 1 127 . 1 . 1 15 15 GLU CG C 13 33.703 0.112 . . . . . . A 15 GLU CG . 34260 1 128 . 1 . 1 15 15 GLU N N 15 116.065 0.052 . . . . . . A 15 GLU N . 34260 1 129 . 1 . 1 16 16 SER H H 1 7.669 0.006 . . . . . . A 16 SER H . 34260 1 130 . 1 . 1 16 16 SER HA H 1 4.199 0.005 . . . . . . A 16 SER HA . 34260 1 131 . 1 . 1 16 16 SER HB2 H 1 3.928 0.004 . . . . . . A 16 SER HB2 . 34260 1 132 . 1 . 1 16 16 SER HB3 H 1 3.928 0.004 . . . . . . A 16 SER HB3 . 34260 1 133 . 1 . 1 16 16 SER CA C 13 58.49 0.075 . . . . . . A 16 SER CA . 34260 1 134 . 1 . 1 16 16 SER CB C 13 59.713 0.014 . . . . . . A 16 SER CB . 34260 1 135 . 1 . 1 16 16 SER N N 15 114.528 0.044 . . . . . . A 16 SER N . 34260 1 136 . 1 . 1 17 17 PHE H H 1 8.101 0.005 . . . . . . A 17 PHE H . 34260 1 137 . 1 . 1 17 17 PHE HA H 1 3.815 0.012 . . . . . . A 17 PHE HA . 34260 1 138 . 1 . 1 17 17 PHE HB2 H 1 3.333 0.016 . . . . . . A 17 PHE HB2 . 34260 1 139 . 1 . 1 17 17 PHE HB3 H 1 2.868 0.018 . . . . . . A 17 PHE HB3 . 34260 1 140 . 1 . 1 17 17 PHE HD1 H 1 7.399 0.002 . . . . . . A 17 PHE HD1 . 34260 1 141 . 1 . 1 17 17 PHE HD2 H 1 7.399 0.002 . . . . . . A 17 PHE HD2 . 34260 1 142 . 1 . 1 17 17 PHE HE1 H 1 7.396 0 . . . . . . A 17 PHE HE1 . 34260 1 143 . 1 . 1 17 17 PHE HE2 H 1 7.396 0 . . . . . . A 17 PHE HE2 . 34260 1 144 . 1 . 1 17 17 PHE HZ H 1 6.671 0.004 . . . . . . A 17 PHE HZ . 34260 1 145 . 1 . 1 17 17 PHE CA C 13 59.206 0.053 . . . . . . A 17 PHE CA . 34260 1 146 . 1 . 1 17 17 PHE CB C 13 35.727 0.026 . . . . . . A 17 PHE CB . 34260 1 147 . 1 . 1 17 17 PHE CD1 C 13 129.611 0.005 . . . . . . A 17 PHE CD1 . 34260 1 148 . 1 . 1 17 17 PHE CE1 C 13 129.617 0 . . . . . . A 17 PHE CE1 . 34260 1 149 . 1 . 1 17 17 PHE CZ C 13 127.274 0.019 . . . . . . A 17 PHE CZ . 34260 1 150 . 1 . 1 17 17 PHE N N 15 124.145 0.064 . . . . . . A 17 PHE N . 34260 1 151 . 1 . 1 18 18 LYS H H 1 7.857 0.009 . . . . . . A 18 LYS H . 34260 1 152 . 1 . 1 18 18 LYS HA H 1 3.931 0.006 . . . . . . A 18 LYS HA . 34260 1 153 . 1 . 1 18 18 LYS HB2 H 1 1.816 0.003 . . . . . . A 18 LYS HB2 . 34260 1 154 . 1 . 1 18 18 LYS HB3 H 1 1.816 0.003 . . . . . . A 18 LYS HB3 . 34260 1 155 . 1 . 1 18 18 LYS HG2 H 1 1.575 0 . . . . . . A 18 LYS HG2 . 34260 1 156 . 1 . 1 18 18 LYS HG3 H 1 1.288 0 . . . . . . A 18 LYS HG3 . 34260 1 157 . 1 . 1 18 18 LYS HD2 H 1 1.655 0 . . . . . . A 18 LYS HD2 . 34260 1 158 . 1 . 1 18 18 LYS HD3 H 1 1.655 0 . . . . . . A 18 LYS HD3 . 34260 1 159 . 1 . 1 18 18 LYS HE2 H 1 2.812 0 . . . . . . A 18 LYS HE2 . 34260 1 160 . 1 . 1 18 18 LYS HE3 H 1 2.812 0 . . . . . . A 18 LYS HE3 . 34260 1 161 . 1 . 1 18 18 LYS CA C 13 56.672 0.052 . . . . . . A 18 LYS CA . 34260 1 162 . 1 . 1 18 18 LYS CB C 13 29.305 0.042 . . . . . . A 18 LYS CB . 34260 1 163 . 1 . 1 18 18 LYS CG C 13 23.905 0.069 . . . . . . A 18 LYS CG . 34260 1 164 . 1 . 1 18 18 LYS CD C 13 26.84 0 . . . . . . A 18 LYS CD . 34260 1 165 . 1 . 1 18 18 LYS CE C 13 39.303 0 . . . . . . A 18 LYS CE . 34260 1 166 . 1 . 1 18 18 LYS N N 15 116.556 0.057 . . . . . . A 18 LYS N . 34260 1 167 . 1 . 1 19 19 ASP H H 1 7.299 0.009 . . . . . . A 19 ASP H . 34260 1 168 . 1 . 1 19 19 ASP HA H 1 4.496 0.012 . . . . . . A 19 ASP HA . 34260 1 169 . 1 . 1 19 19 ASP HB2 H 1 2.739 0.01 . . . . . . A 19 ASP HB2 . 34260 1 170 . 1 . 1 19 19 ASP HB3 H 1 2.616 0.013 . . . . . . A 19 ASP HB3 . 34260 1 171 . 1 . 1 19 19 ASP CA C 13 52.18 0.087 . . . . . . A 19 ASP CA . 34260 1 172 . 1 . 1 19 19 ASP CB C 13 38.588 0.13 . . . . . . A 19 ASP CB . 34260 1 173 . 1 . 1 19 19 ASP N N 15 116.442 0.045 . . . . . . A 19 ASP N . 34260 1 174 . 1 . 1 20 20 LEU H H 1 7.23 0.005 . . . . . . A 20 LEU H . 34260 1 175 . 1 . 1 20 20 LEU HA H 1 4.384 0.013 . . . . . . A 20 LEU HA . 34260 1 176 . 1 . 1 20 20 LEU HB2 H 1 1.662 0.028 . . . . . . A 20 LEU HB2 . 34260 1 177 . 1 . 1 20 20 LEU HB3 H 1 1.332 0.008 . . . . . . A 20 LEU HB3 . 34260 1 178 . 1 . 1 20 20 LEU HG H 1 1.586 0.011 . . . . . . A 20 LEU HG . 34260 1 179 . 1 . 1 20 20 LEU HD11 H 1 0.22 0.004 . . . . . . A 20 LEU HD11 . 34260 1 180 . 1 . 1 20 20 LEU HD12 H 1 0.22 0.004 . . . . . . A 20 LEU HD12 . 34260 1 181 . 1 . 1 20 20 LEU HD13 H 1 0.22 0.004 . . . . . . A 20 LEU HD13 . 34260 1 182 . 1 . 1 20 20 LEU HD21 H 1 0.588 0.006 . . . . . . A 20 LEU HD21 . 34260 1 183 . 1 . 1 20 20 LEU HD22 H 1 0.588 0.006 . . . . . . A 20 LEU HD22 . 34260 1 184 . 1 . 1 20 20 LEU HD23 H 1 0.588 0.006 . . . . . . A 20 LEU HD23 . 34260 1 185 . 1 . 1 20 20 LEU CA C 13 50.797 0.18 . . . . . . A 20 LEU CA . 34260 1 186 . 1 . 1 20 20 LEU CB C 13 39.692 0.133 . . . . . . A 20 LEU CB . 34260 1 187 . 1 . 1 20 20 LEU CG C 13 23.319 0.16 . . . . . . A 20 LEU CG . 34260 1 188 . 1 . 1 20 20 LEU CD1 C 13 24.138 0.085 . . . . . . A 20 LEU CD1 . 34260 1 189 . 1 . 1 20 20 LEU CD2 C 13 19.304 0.116 . . . . . . A 20 LEU CD2 . 34260 1 190 . 1 . 1 20 20 LEU N N 15 119.712 0.046 . . . . . . A 20 LEU N . 34260 1 191 . 1 . 1 21 21 LYS H H 1 9.441 0.012 . . . . . . A 21 LYS H . 34260 1 192 . 1 . 1 21 21 LYS HA H 1 4.044 0.019 . . . . . . A 21 LYS HA . 34260 1 193 . 1 . 1 21 21 LYS HB2 H 1 1.868 0.014 . . . . . . A 21 LYS HB2 . 34260 1 194 . 1 . 1 21 21 LYS HB3 H 1 1.786 0.012 . . . . . . A 21 LYS HB3 . 34260 1 195 . 1 . 1 21 21 LYS HG2 H 1 1.449 0 . . . . . . A 21 LYS HG2 . 34260 1 196 . 1 . 1 21 21 LYS HG3 H 1 1.449 0 . . . . . . A 21 LYS HG3 . 34260 1 197 . 1 . 1 21 21 LYS HD2 H 1 1.632 0.005 . . . . . . A 21 LYS HD2 . 34260 1 198 . 1 . 1 21 21 LYS HD3 H 1 1.632 0.005 . . . . . . A 21 LYS HD3 . 34260 1 199 . 1 . 1 21 21 LYS HE2 H 1 2.921 0.005 . . . . . . A 21 LYS HE2 . 34260 1 200 . 1 . 1 21 21 LYS HE3 H 1 2.921 0.005 . . . . . . A 21 LYS HE3 . 34260 1 201 . 1 . 1 21 21 LYS CA C 13 56.822 0.054 . . . . . . A 21 LYS CA . 34260 1 202 . 1 . 1 21 21 LYS CB C 13 29.33 0.106 . . . . . . A 21 LYS CB . 34260 1 203 . 1 . 1 21 21 LYS CG C 13 22.119 0.127 . . . . . . A 21 LYS CG . 34260 1 204 . 1 . 1 21 21 LYS CD C 13 26.297 0.051 . . . . . . A 21 LYS CD . 34260 1 205 . 1 . 1 21 21 LYS CE C 13 39.351 0.026 . . . . . . A 21 LYS CE . 34260 1 206 . 1 . 1 21 21 LYS N N 15 126.471 0.061 . . . . . . A 21 LYS N . 34260 1 207 . 1 . 1 22 22 SER H H 1 8.771 0.01 . . . . . . A 22 SER H . 34260 1 208 . 1 . 1 22 22 SER HA H 1 4.319 0.006 . . . . . . A 22 SER HA . 34260 1 209 . 1 . 1 22 22 SER HB2 H 1 3.879 0.015 . . . . . . A 22 SER HB2 . 34260 1 210 . 1 . 1 22 22 SER HB3 H 1 3.948 0.005 . . . . . . A 22 SER HB3 . 34260 1 211 . 1 . 1 22 22 SER CA C 13 55.523 0.018 . . . . . . A 22 SER CA . 34260 1 212 . 1 . 1 22 22 SER CB C 13 62.208 0.082 . . . . . . A 22 SER CB . 34260 1 213 . 1 . 1 22 22 SER N N 15 110.158 0.024 . . . . . . A 22 SER N . 34260 1 214 . 1 . 1 23 23 GLY H H 1 6.596 0.003 . . . . . . A 23 GLY H . 34260 1 215 . 1 . 1 23 23 GLY HA2 H 1 3.341 0.001 . . . . . . A 23 GLY HA2 . 34260 1 216 . 1 . 1 23 23 GLY HA3 H 1 3.2 0.022 . . . . . . A 23 GLY HA3 . 34260 1 217 . 1 . 1 23 23 GLY CA C 13 43.584 0.094 . . . . . . A 23 GLY CA . 34260 1 218 . 1 . 1 23 23 GLY N N 15 106.338 0.029 . . . . . . A 23 GLY N . 34260 1 219 . 1 . 1 24 24 ILE H H 1 7.957 0.017 . . . . . . A 24 ILE H . 34260 1 220 . 1 . 1 24 24 ILE HA H 1 3.982 0.004 . . . . . . A 24 ILE HA . 34260 1 221 . 1 . 1 24 24 ILE HB H 1 1.544 0.015 . . . . . . A 24 ILE HB . 34260 1 222 . 1 . 1 24 24 ILE HG12 H 1 1.41 0 . . . . . . A 24 ILE HG12 . 34260 1 223 . 1 . 1 24 24 ILE HG13 H 1 0.593 0.004 . . . . . . A 24 ILE HG13 . 34260 1 224 . 1 . 1 24 24 ILE HG21 H 1 1.014 0.008 . . . . . . A 24 ILE HG21 . 34260 1 225 . 1 . 1 24 24 ILE HG22 H 1 1.014 0.008 . . . . . . A 24 ILE HG22 . 34260 1 226 . 1 . 1 24 24 ILE HG23 H 1 1.014 0.008 . . . . . . A 24 ILE HG23 . 34260 1 227 . 1 . 1 24 24 ILE HD11 H 1 0.822 0 . . . . . . A 24 ILE HD11 . 34260 1 228 . 1 . 1 24 24 ILE HD12 H 1 0.822 0 . . . . . . A 24 ILE HD12 . 34260 1 229 . 1 . 1 24 24 ILE HD13 H 1 0.822 0 . . . . . . A 24 ILE HD13 . 34260 1 230 . 1 . 1 24 24 ILE CA C 13 59.174 0.099 . . . . . . A 24 ILE CA . 34260 1 231 . 1 . 1 24 24 ILE CB C 13 39.477 0.069 . . . . . . A 24 ILE CB . 34260 1 232 . 1 . 1 24 24 ILE CG1 C 13 26.151 0.095 . . . . . . A 24 ILE CG1 . 34260 1 233 . 1 . 1 24 24 ILE CG2 C 13 16.277 0.101 . . . . . . A 24 ILE CG2 . 34260 1 234 . 1 . 1 24 24 ILE CD1 C 13 11.668 0 . . . . . . A 24 ILE CD1 . 34260 1 235 . 1 . 1 24 24 ILE N N 15 119.161 0.055 . . . . . . A 24 ILE N . 34260 1 236 . 1 . 1 25 25 SER H H 1 5.651 0.007 . . . . . . A 25 SER H . 34260 1 237 . 1 . 1 25 25 SER HA H 1 4.982 0.01 . . . . . . A 25 SER HA . 34260 1 238 . 1 . 1 25 25 SER HB2 H 1 3.641 0.008 . . . . . . A 25 SER HB2 . 34260 1 239 . 1 . 1 25 25 SER HB3 H 1 2.78 0.005 . . . . . . A 25 SER HB3 . 34260 1 240 . 1 . 1 25 25 SER CA C 13 52.835 0.04 . . . . . . A 25 SER CA . 34260 1 241 . 1 . 1 25 25 SER CB C 13 61.897 0.151 . . . . . . A 25 SER CB . 34260 1 242 . 1 . 1 25 25 SER N N 15 117.397 0.037 . . . . . . A 25 SER N . 34260 1 243 . 1 . 1 26 26 GLY H H 1 8.021 0.002 . . . . . . A 26 GLY H . 34260 1 244 . 1 . 1 26 26 GLY HA2 H 1 4.036 0.028 . . . . . . A 26 GLY HA2 . 34260 1 245 . 1 . 1 26 26 GLY HA3 H 1 3.576 0.017 . . . . . . A 26 GLY HA3 . 34260 1 246 . 1 . 1 26 26 GLY CA C 13 45.6 0.111 . . . . . . A 26 GLY CA . 34260 1 247 . 1 . 1 26 26 GLY N N 15 123.206 0 . . . . . . A 26 GLY N . 34260 1 248 . 1 . 1 27 27 SER H H 1 9.939 0.025 . . . . . . A 27 SER H . 34260 1 249 . 1 . 1 27 27 SER HA H 1 3.749 0 . . . . . . A 27 SER HA . 34260 1 250 . 1 . 1 27 27 SER CA C 13 59.279 0.094 . . . . . . A 27 SER CA . 34260 1 251 . 1 . 1 27 27 SER N N 15 120.617 0.043 . . . . . . A 27 SER N . 34260 1 252 . 1 . 1 28 28 ARG H H 1 8.023 0.007 . . . . . . A 28 ARG H . 34260 1 253 . 1 . 1 28 28 ARG HA H 1 3.858 0.015 . . . . . . A 28 ARG HA . 34260 1 254 . 1 . 1 28 28 ARG HB2 H 1 1.307 0 . . . . . . A 28 ARG HB2 . 34260 1 255 . 1 . 1 28 28 ARG HB3 H 1 1.123 0 . . . . . . A 28 ARG HB3 . 34260 1 256 . 1 . 1 28 28 ARG CA C 13 56.696 0.112 . . . . . . A 28 ARG CA . 34260 1 257 . 1 . 1 28 28 ARG CB C 13 28.671 0.097 . . . . . . A 28 ARG CB . 34260 1 258 . 1 . 1 28 28 ARG N N 15 123.19 0.058 . . . . . . A 28 ARG N . 34260 1 259 . 1 . 1 29 29 ILE H H 1 8.348 0.007 . . . . . . A 29 ILE H . 34260 1 260 . 1 . 1 29 29 ILE HA H 1 3.463 0.005 . . . . . . A 29 ILE HA . 34260 1 261 . 1 . 1 29 29 ILE HB H 1 1.819 0.005 . . . . . . A 29 ILE HB . 34260 1 262 . 1 . 1 29 29 ILE HG12 H 1 2.148 0.004 . . . . . . A 29 ILE HG12 . 34260 1 263 . 1 . 1 29 29 ILE HG13 H 1 0.677 0.005 . . . . . . A 29 ILE HG13 . 34260 1 264 . 1 . 1 29 29 ILE HG21 H 1 0.609 0.146 . . . . . . A 29 ILE HG21 . 34260 1 265 . 1 . 1 29 29 ILE HG22 H 1 0.609 0.146 . . . . . . A 29 ILE HG22 . 34260 1 266 . 1 . 1 29 29 ILE HG23 H 1 0.609 0.146 . . . . . . A 29 ILE HG23 . 34260 1 267 . 1 . 1 29 29 ILE HD11 H 1 0.359 0.003 . . . . . . A 29 ILE HD11 . 34260 1 268 . 1 . 1 29 29 ILE HD12 H 1 0.359 0.003 . . . . . . A 29 ILE HD12 . 34260 1 269 . 1 . 1 29 29 ILE HD13 H 1 0.359 0.003 . . . . . . A 29 ILE HD13 . 34260 1 270 . 1 . 1 29 29 ILE CA C 13 64.425 0.093 . . . . . . A 29 ILE CA . 34260 1 271 . 1 . 1 29 29 ILE CB C 13 34.861 0.048 . . . . . . A 29 ILE CB . 34260 1 272 . 1 . 1 29 29 ILE CG1 C 13 29.092 0.131 . . . . . . A 29 ILE CG1 . 34260 1 273 . 1 . 1 29 29 ILE CG2 C 13 15.655 0.155 . . . . . . A 29 ILE CG2 . 34260 1 274 . 1 . 1 29 29 ILE CD1 C 13 11.155 0.13 . . . . . . A 29 ILE CD1 . 34260 1 275 . 1 . 1 29 29 ILE N N 15 120.526 0.086 . . . . . . A 29 ILE N . 34260 1 276 . 1 . 1 30 30 LYS H H 1 8.225 0.013 . . . . . . A 30 LYS H . 34260 1 277 . 1 . 1 30 30 LYS HA H 1 3.988 0.008 . . . . . . A 30 LYS HA . 34260 1 278 . 1 . 1 30 30 LYS HB2 H 1 1.912 0.02 . . . . . . A 30 LYS HB2 . 34260 1 279 . 1 . 1 30 30 LYS HB3 H 1 1.912 0.02 . . . . . . A 30 LYS HB3 . 34260 1 280 . 1 . 1 30 30 LYS HG2 H 1 1.449 0 . . . . . . A 30 LYS HG2 . 34260 1 281 . 1 . 1 30 30 LYS HG3 H 1 1.354 0 . . . . . . A 30 LYS HG3 . 34260 1 282 . 1 . 1 30 30 LYS HD2 H 1 1.562 0 . . . . . . A 30 LYS HD2 . 34260 1 283 . 1 . 1 30 30 LYS HD3 H 1 1.562 0 . . . . . . A 30 LYS HD3 . 34260 1 284 . 1 . 1 30 30 LYS HE2 H 1 2.819 0.001 . . . . . . A 30 LYS HE2 . 34260 1 285 . 1 . 1 30 30 LYS HE3 H 1 2.819 0.001 . . . . . . A 30 LYS HE3 . 34260 1 286 . 1 . 1 30 30 LYS CA C 13 57.499 0.123 . . . . . . A 30 LYS CA . 34260 1 287 . 1 . 1 30 30 LYS CB C 13 28.856 0.136 . . . . . . A 30 LYS CB . 34260 1 288 . 1 . 1 30 30 LYS CG C 13 22.333 0.165 . . . . . . A 30 LYS CG . 34260 1 289 . 1 . 1 30 30 LYS CD C 13 26.39 0.005 . . . . . . A 30 LYS CD . 34260 1 290 . 1 . 1 30 30 LYS CE C 13 39.286 0.001 . . . . . . A 30 LYS CE . 34260 1 291 . 1 . 1 30 30 LYS N N 15 124.123 0.04 . . . . . . A 30 LYS N . 34260 1 292 . 1 . 1 31 31 LYS H H 1 7.478 0.01 . . . . . . A 31 LYS H . 34260 1 293 . 1 . 1 31 31 LYS HA H 1 4.044 0.008 . . . . . . A 31 LYS HA . 34260 1 294 . 1 . 1 31 31 LYS HB2 H 1 1.875 0.023 . . . . . . A 31 LYS HB2 . 34260 1 295 . 1 . 1 31 31 LYS HB3 H 1 1.875 0.023 . . . . . . A 31 LYS HB3 . 34260 1 296 . 1 . 1 31 31 LYS HG2 H 1 1.494 0.013 . . . . . . A 31 LYS HG2 . 34260 1 297 . 1 . 1 31 31 LYS HG3 H 1 1.439 0.001 . . . . . . A 31 LYS HG3 . 34260 1 298 . 1 . 1 31 31 LYS HE2 H 1 2.817 0.001 . . . . . . A 31 LYS HE2 . 34260 1 299 . 1 . 1 31 31 LYS HE3 H 1 2.817 0.001 . . . . . . A 31 LYS HE3 . 34260 1 300 . 1 . 1 31 31 LYS CA C 13 57.374 0.118 . . . . . . A 31 LYS CA . 34260 1 301 . 1 . 1 31 31 LYS CB C 13 29.9 0.146 . . . . . . A 31 LYS CB . 34260 1 302 . 1 . 1 31 31 LYS CG C 13 22.478 0.05 . . . . . . A 31 LYS CG . 34260 1 303 . 1 . 1 31 31 LYS CE C 13 39.441 0 . . . . . . A 31 LYS CE . 34260 1 304 . 1 . 1 31 31 LYS N N 15 120.471 0.134 . . . . . . A 31 LYS N . 34260 1 305 . 1 . 1 32 32 LEU H H 1 8.13 0.007 . . . . . . A 32 LEU H . 34260 1 306 . 1 . 1 32 32 LEU HA H 1 4.074 0.015 . . . . . . A 32 LEU HA . 34260 1 307 . 1 . 1 32 32 LEU HB2 H 1 1.957 0.016 . . . . . . A 32 LEU HB2 . 34260 1 308 . 1 . 1 32 32 LEU HB3 H 1 1.277 0.014 . . . . . . A 32 LEU HB3 . 34260 1 309 . 1 . 1 32 32 LEU HG H 1 1.84 0.005 . . . . . . A 32 LEU HG . 34260 1 310 . 1 . 1 32 32 LEU HD11 H 1 -0.022 0.007 . . . . . . A 32 LEU HD11 . 34260 1 311 . 1 . 1 32 32 LEU HD12 H 1 -0.022 0.007 . . . . . . A 32 LEU HD12 . 34260 1 312 . 1 . 1 32 32 LEU HD13 H 1 -0.022 0.007 . . . . . . A 32 LEU HD13 . 34260 1 313 . 1 . 1 32 32 LEU HD21 H 1 0.356 0.006 . . . . . . A 32 LEU HD21 . 34260 1 314 . 1 . 1 32 32 LEU HD22 H 1 0.356 0.006 . . . . . . A 32 LEU HD22 . 34260 1 315 . 1 . 1 32 32 LEU HD23 H 1 0.356 0.006 . . . . . . A 32 LEU HD23 . 34260 1 316 . 1 . 1 32 32 LEU CA C 13 55.35 0.153 . . . . . . A 32 LEU CA . 34260 1 317 . 1 . 1 32 32 LEU CB C 13 39.457 0.082 . . . . . . A 32 LEU CB . 34260 1 318 . 1 . 1 32 32 LEU CG C 13 23.245 0.103 . . . . . . A 32 LEU CG . 34260 1 319 . 1 . 1 32 32 LEU CD1 C 13 20.422 0.067 . . . . . . A 32 LEU CD1 . 34260 1 320 . 1 . 1 32 32 LEU CD2 C 13 25.825 0.091 . . . . . . A 32 LEU CD2 . 34260 1 321 . 1 . 1 32 32 LEU N N 15 118.251 0.055 . . . . . . A 32 LEU N . 34260 1 322 . 1 . 1 33 33 THR H H 1 8.039 0.009 . . . . . . A 33 THR H . 34260 1 323 . 1 . 1 33 33 THR HA H 1 3.657 0.012 . . . . . . A 33 THR HA . 34260 1 324 . 1 . 1 33 33 THR HB H 1 4.299 0.007 . . . . . . A 33 THR HB . 34260 1 325 . 1 . 1 33 33 THR HG21 H 1 0.99 0.005 . . . . . . A 33 THR HG21 . 34260 1 326 . 1 . 1 33 33 THR HG22 H 1 0.99 0.005 . . . . . . A 33 THR HG22 . 34260 1 327 . 1 . 1 33 33 THR HG23 H 1 0.99 0.005 . . . . . . A 33 THR HG23 . 34260 1 328 . 1 . 1 33 33 THR CA C 13 64.601 0.138 . . . . . . A 33 THR CA . 34260 1 329 . 1 . 1 33 33 THR CB C 13 65.882 0.081 . . . . . . A 33 THR CB . 34260 1 330 . 1 . 1 33 33 THR CG2 C 13 18.321 0.076 . . . . . . A 33 THR CG2 . 34260 1 331 . 1 . 1 33 33 THR N N 15 116.422 0.088 . . . . . . A 33 THR N . 34260 1 332 . 1 . 1 34 34 THR H H 1 8.669 0.007 . . . . . . A 34 THR H . 34260 1 333 . 1 . 1 34 34 THR HA H 1 3.76 0.005 . . . . . . A 34 THR HA . 34260 1 334 . 1 . 1 34 34 THR HB H 1 4.136 0.008 . . . . . . A 34 THR HB . 34260 1 335 . 1 . 1 34 34 THR HG21 H 1 1.179 0.011 . . . . . . A 34 THR HG21 . 34260 1 336 . 1 . 1 34 34 THR HG22 H 1 1.179 0.011 . . . . . . A 34 THR HG22 . 34260 1 337 . 1 . 1 34 34 THR HG23 H 1 1.179 0.011 . . . . . . A 34 THR HG23 . 34260 1 338 . 1 . 1 34 34 THR CA C 13 64.053 0.188 . . . . . . A 34 THR CA . 34260 1 339 . 1 . 1 34 34 THR CB C 13 66.428 0.11 . . . . . . A 34 THR CB . 34260 1 340 . 1 . 1 34 34 THR CG2 C 13 19.167 0.161 . . . . . . A 34 THR CG2 . 34260 1 341 . 1 . 1 34 34 THR N N 15 119.002 0.048 . . . . . . A 34 THR N . 34260 1 342 . 1 . 1 35 35 TYR H H 1 7.645 0.006 . . . . . . A 35 TYR H . 34260 1 343 . 1 . 1 35 35 TYR HA H 1 4.2 0.014 . . . . . . A 35 TYR HA . 34260 1 344 . 1 . 1 35 35 TYR HB2 H 1 3.3 0.002 . . . . . . A 35 TYR HB2 . 34260 1 345 . 1 . 1 35 35 TYR HB3 H 1 3.195 0.017 . . . . . . A 35 TYR HB3 . 34260 1 346 . 1 . 1 35 35 TYR HD1 H 1 6.684 0.003 . . . . . . A 35 TYR HD1 . 34260 1 347 . 1 . 1 35 35 TYR HD2 H 1 6.684 0.003 . . . . . . A 35 TYR HD2 . 34260 1 348 . 1 . 1 35 35 TYR HE1 H 1 6.181 0.006 . . . . . . A 35 TYR HE1 . 34260 1 349 . 1 . 1 35 35 TYR HE2 H 1 6.181 0.006 . . . . . . A 35 TYR HE2 . 34260 1 350 . 1 . 1 35 35 TYR CA C 13 60.066 0.088 . . . . . . A 35 TYR CA . 34260 1 351 . 1 . 1 35 35 TYR CB C 13 35.639 0.147 . . . . . . A 35 TYR CB . 34260 1 352 . 1 . 1 35 35 TYR CD1 C 13 130.738 0.004 . . . . . . A 35 TYR CD1 . 34260 1 353 . 1 . 1 35 35 TYR CE1 C 13 115.025 0.014 . . . . . . A 35 TYR CE1 . 34260 1 354 . 1 . 1 35 35 TYR N N 15 120.219 0.049 . . . . . . A 35 TYR N . 34260 1 355 . 1 . 1 36 36 ALA H H 1 8.532 0.011 . . . . . . A 36 ALA H . 34260 1 356 . 1 . 1 36 36 ALA HA H 1 3.906 0.003 . . . . . . A 36 ALA HA . 34260 1 357 . 1 . 1 36 36 ALA HB1 H 1 1.445 0.008 . . . . . . A 36 ALA HB1 . 34260 1 358 . 1 . 1 36 36 ALA HB2 H 1 1.445 0.008 . . . . . . A 36 ALA HB2 . 34260 1 359 . 1 . 1 36 36 ALA HB3 H 1 1.445 0.008 . . . . . . A 36 ALA HB3 . 34260 1 360 . 1 . 1 36 36 ALA CA C 13 52.982 0.06 . . . . . . A 36 ALA CA . 34260 1 361 . 1 . 1 36 36 ALA CB C 13 14.658 0.189 . . . . . . A 36 ALA CB . 34260 1 362 . 1 . 1 36 36 ALA N N 15 121.414 0.103 . . . . . . A 36 ALA N . 34260 1 363 . 1 . 1 37 37 LEU H H 1 8.332 0.02 . . . . . . A 37 LEU H . 34260 1 364 . 1 . 1 37 37 LEU HA H 1 4.109 0.005 . . . . . . A 37 LEU HA . 34260 1 365 . 1 . 1 37 37 LEU HB2 H 1 1.898 0.01 . . . . . . A 37 LEU HB2 . 34260 1 366 . 1 . 1 37 37 LEU HB3 H 1 1.448 0.014 . . . . . . A 37 LEU HB3 . 34260 1 367 . 1 . 1 37 37 LEU HG H 1 1.66 0.006 . . . . . . A 37 LEU HG . 34260 1 368 . 1 . 1 37 37 LEU HD11 H 1 0.874 0.011 . . . . . . A 37 LEU HD11 . 34260 1 369 . 1 . 1 37 37 LEU HD12 H 1 0.874 0.011 . . . . . . A 37 LEU HD12 . 34260 1 370 . 1 . 1 37 37 LEU HD13 H 1 0.874 0.011 . . . . . . A 37 LEU HD13 . 34260 1 371 . 1 . 1 37 37 LEU HD21 H 1 0.853 0.004 . . . . . . A 37 LEU HD21 . 34260 1 372 . 1 . 1 37 37 LEU HD22 H 1 0.853 0.004 . . . . . . A 37 LEU HD22 . 34260 1 373 . 1 . 1 37 37 LEU HD23 H 1 0.853 0.004 . . . . . . A 37 LEU HD23 . 34260 1 374 . 1 . 1 37 37 LEU CA C 13 54.777 0.189 . . . . . . A 37 LEU CA . 34260 1 375 . 1 . 1 37 37 LEU CB C 13 39.929 0.085 . . . . . . A 37 LEU CB . 34260 1 376 . 1 . 1 37 37 LEU CG C 13 24.791 0.18 . . . . . . A 37 LEU CG . 34260 1 377 . 1 . 1 37 37 LEU CD1 C 13 19.937 0.139 . . . . . . A 37 LEU CD1 . 34260 1 378 . 1 . 1 37 37 LEU CD2 C 13 22.531 0.143 . . . . . . A 37 LEU CD2 . 34260 1 379 . 1 . 1 37 37 LEU N N 15 120.679 0.09 . . . . . . A 37 LEU N . 34260 1 380 . 1 . 1 38 38 ASP H H 1 7.542 0.008 . . . . . . A 38 ASP H . 34260 1 381 . 1 . 1 38 38 ASP HA H 1 4.468 0.005 . . . . . . A 38 ASP HA . 34260 1 382 . 1 . 1 38 38 ASP HB2 H 1 2.366 0.005 . . . . . . A 38 ASP HB2 . 34260 1 383 . 1 . 1 38 38 ASP HB3 H 1 2.085 0.007 . . . . . . A 38 ASP HB3 . 34260 1 384 . 1 . 1 38 38 ASP CA C 13 52.016 0.133 . . . . . . A 38 ASP CA . 34260 1 385 . 1 . 1 38 38 ASP CB C 13 38.804 0.125 . . . . . . A 38 ASP CB . 34260 1 386 . 1 . 1 38 38 ASP N N 15 119.027 0.069 . . . . . . A 38 ASP N . 34260 1 387 . 1 . 1 39 39 HIS H H 1 7.082 0.004 . . . . . . A 39 HIS H . 34260 1 388 . 1 . 1 39 39 HIS HA H 1 4.616 0.027 . . . . . . A 39 HIS HA . 34260 1 389 . 1 . 1 39 39 HIS HB2 H 1 3.203 0.01 . . . . . . A 39 HIS HB2 . 34260 1 390 . 1 . 1 39 39 HIS HB3 H 1 2.134 0.013 . . . . . . A 39 HIS HB3 . 34260 1 391 . 1 . 1 39 39 HIS HE1 H 1 7.885 0 . . . . . . A 39 HIS HE1 . 34260 1 392 . 1 . 1 39 39 HIS CA C 13 52.091 0.127 . . . . . . A 39 HIS CA . 34260 1 393 . 1 . 1 39 39 HIS CB C 13 25.292 0.159 . . . . . . A 39 HIS CB . 34260 1 394 . 1 . 1 39 39 HIS CE1 C 13 134.572 0 . . . . . . A 39 HIS CE1 . 34260 1 395 . 1 . 1 39 39 HIS N N 15 118.152 0.035 . . . . . . A 39 HIS N . 34260 1 396 . 1 . 1 40 40 ILE H H 1 7.651 0.005 . . . . . . A 40 ILE H . 34260 1 397 . 1 . 1 40 40 ILE HA H 1 3.421 0.008 . . . . . . A 40 ILE HA . 34260 1 398 . 1 . 1 40 40 ILE HB H 1 1.36 0.008 . . . . . . A 40 ILE HB . 34260 1 399 . 1 . 1 40 40 ILE HG12 H 1 1.764 0.009 . . . . . . A 40 ILE HG12 . 34260 1 400 . 1 . 1 40 40 ILE HG13 H 1 0.515 0.007 . . . . . . A 40 ILE HG13 . 34260 1 401 . 1 . 1 40 40 ILE HG21 H 1 0.579 0.008 . . . . . . A 40 ILE HG21 . 34260 1 402 . 1 . 1 40 40 ILE HG22 H 1 0.579 0.008 . . . . . . A 40 ILE HG22 . 34260 1 403 . 1 . 1 40 40 ILE HG23 H 1 0.579 0.008 . . . . . . A 40 ILE HG23 . 34260 1 404 . 1 . 1 40 40 ILE HD11 H 1 0.668 0.006 . . . . . . A 40 ILE HD11 . 34260 1 405 . 1 . 1 40 40 ILE HD12 H 1 0.668 0.006 . . . . . . A 40 ILE HD12 . 34260 1 406 . 1 . 1 40 40 ILE HD13 H 1 0.668 0.006 . . . . . . A 40 ILE HD13 . 34260 1 407 . 1 . 1 40 40 ILE CA C 13 62.377 0.153 . . . . . . A 40 ILE CA . 34260 1 408 . 1 . 1 40 40 ILE CB C 13 35.85 0.139 . . . . . . A 40 ILE CB . 34260 1 409 . 1 . 1 40 40 ILE CG1 C 13 27.204 0.101 . . . . . . A 40 ILE CG1 . 34260 1 410 . 1 . 1 40 40 ILE CG2 C 13 15.753 0.152 . . . . . . A 40 ILE CG2 . 34260 1 411 . 1 . 1 40 40 ILE CD1 C 13 11.889 0.083 . . . . . . A 40 ILE CD1 . 34260 1 412 . 1 . 1 40 40 ILE N N 15 121.904 0.037 . . . . . . A 40 ILE N . 34260 1 413 . 1 . 1 41 41 ASP H H 1 8.445 0.006 . . . . . . A 41 ASP H . 34260 1 414 . 1 . 1 41 41 ASP HA H 1 4.188 0.022 . . . . . . A 41 ASP HA . 34260 1 415 . 1 . 1 41 41 ASP HB2 H 1 2.601 0.019 . . . . . . A 41 ASP HB2 . 34260 1 416 . 1 . 1 41 41 ASP HB3 H 1 2.537 0.021 . . . . . . A 41 ASP HB3 . 34260 1 417 . 1 . 1 41 41 ASP CA C 13 53.952 0.08 . . . . . . A 41 ASP CA . 34260 1 418 . 1 . 1 41 41 ASP CB C 13 36.495 0.186 . . . . . . A 41 ASP CB . 34260 1 419 . 1 . 1 41 41 ASP N N 15 114.866 0.051 . . . . . . A 41 ASP N . 34260 1 420 . 1 . 1 42 42 ILE H H 1 7.452 0.006 . . . . . . A 42 ILE H . 34260 1 421 . 1 . 1 42 42 ILE HA H 1 4.721 0.01 . . . . . . A 42 ILE HA . 34260 1 422 . 1 . 1 42 42 ILE HB H 1 2.008 0.027 . . . . . . A 42 ILE HB . 34260 1 423 . 1 . 1 42 42 ILE HG12 H 1 1.524 0 . . . . . . A 42 ILE HG12 . 34260 1 424 . 1 . 1 42 42 ILE HG13 H 1 1.024 0 . . . . . . A 42 ILE HG13 . 34260 1 425 . 1 . 1 42 42 ILE HG21 H 1 0.745 0.005 . . . . . . A 42 ILE HG21 . 34260 1 426 . 1 . 1 42 42 ILE HG22 H 1 0.745 0.005 . . . . . . A 42 ILE HG22 . 34260 1 427 . 1 . 1 42 42 ILE HG23 H 1 0.745 0.005 . . . . . . A 42 ILE HG23 . 34260 1 428 . 1 . 1 42 42 ILE HD11 H 1 0.805 0.008 . . . . . . A 42 ILE HD11 . 34260 1 429 . 1 . 1 42 42 ILE HD12 H 1 0.805 0.008 . . . . . . A 42 ILE HD12 . 34260 1 430 . 1 . 1 42 42 ILE HD13 H 1 0.805 0.008 . . . . . . A 42 ILE HD13 . 34260 1 431 . 1 . 1 42 42 ILE CA C 13 58.139 0.047 . . . . . . A 42 ILE CA . 34260 1 432 . 1 . 1 42 42 ILE CB C 13 34.621 0.139 . . . . . . A 42 ILE CB . 34260 1 433 . 1 . 1 42 42 ILE CG1 C 13 25.285 0.006 . . . . . . A 42 ILE CG1 . 34260 1 434 . 1 . 1 42 42 ILE CG2 C 13 15.08 0.1 . . . . . . A 42 ILE CG2 . 34260 1 435 . 1 . 1 42 42 ILE CD1 C 13 12.334 0.131 . . . . . . A 42 ILE CD1 . 34260 1 436 . 1 . 1 42 42 ILE N N 15 113.811 0.038 . . . . . . A 42 ILE N . 34260 1 437 . 1 . 1 43 43 GLU H H 1 8.203 0.008 . . . . . . A 43 GLU H . 34260 1 438 . 1 . 1 43 43 GLU HA H 1 4.036 0.012 . . . . . . A 43 GLU HA . 34260 1 439 . 1 . 1 43 43 GLU HB2 H 1 2.461 0.005 . . . . . . A 43 GLU HB2 . 34260 1 440 . 1 . 1 43 43 GLU HB3 H 1 2.285 0.02 . . . . . . A 43 GLU HB3 . 34260 1 441 . 1 . 1 43 43 GLU HG2 H 1 2.475 0 . . . . . . A 43 GLU HG2 . 34260 1 442 . 1 . 1 43 43 GLU HG3 H 1 2.475 0 . . . . . . A 43 GLU HG3 . 34260 1 443 . 1 . 1 43 43 GLU CA C 13 56.574 0.106 . . . . . . A 43 GLU CA . 34260 1 444 . 1 . 1 43 43 GLU CB C 13 23.817 0.142 . . . . . . A 43 GLU CB . 34260 1 445 . 1 . 1 43 43 GLU CG C 13 30.407 0 . . . . . . A 43 GLU CG . 34260 1 446 . 1 . 1 43 43 GLU N N 15 120.912 0.055 . . . . . . A 43 GLU N . 34260 1 447 . 1 . 1 44 44 SER H H 1 8.75 0.009 . . . . . . A 44 SER H . 34260 1 448 . 1 . 1 44 44 SER HA H 1 3.762 0 . . . . . . A 44 SER HA . 34260 1 449 . 1 . 1 44 44 SER HB2 H 1 3.733 0 . . . . . . A 44 SER HB2 . 34260 1 450 . 1 . 1 44 44 SER HB3 H 1 3.813 0 . . . . . . A 44 SER HB3 . 34260 1 451 . 1 . 1 44 44 SER CA C 13 59.642 0.044 . . . . . . A 44 SER CA . 34260 1 452 . 1 . 1 44 44 SER CB C 13 59.998 0.003 . . . . . . A 44 SER CB . 34260 1 453 . 1 . 1 44 44 SER N N 15 113.82 0.029 . . . . . . A 44 SER N . 34260 1 454 . 1 . 1 45 45 LYS H H 1 7.338 0.004 . . . . . . A 45 LYS H . 34260 1 455 . 1 . 1 45 45 LYS HA H 1 4.079 0.01 . . . . . . A 45 LYS HA . 34260 1 456 . 1 . 1 45 45 LYS HB2 H 1 1.643 0 . . . . . . A 45 LYS HB2 . 34260 1 457 . 1 . 1 45 45 LYS HB3 H 1 1.573 0.019 . . . . . . A 45 LYS HB3 . 34260 1 458 . 1 . 1 45 45 LYS HG2 H 1 1.25 0 . . . . . . A 45 LYS HG2 . 34260 1 459 . 1 . 1 45 45 LYS HG3 H 1 1.183 0.008 . . . . . . A 45 LYS HG3 . 34260 1 460 . 1 . 1 45 45 LYS HD2 H 1 1.224 0.001 . . . . . . A 45 LYS HD2 . 34260 1 461 . 1 . 1 45 45 LYS HD3 H 1 1.166 0.005 . . . . . . A 45 LYS HD3 . 34260 1 462 . 1 . 1 45 45 LYS HE2 H 1 2.404 0.005 . . . . . . A 45 LYS HE2 . 34260 1 463 . 1 . 1 45 45 LYS HE3 H 1 2.219 0.002 . . . . . . A 45 LYS HE3 . 34260 1 464 . 1 . 1 45 45 LYS CA C 13 56.019 0.056 . . . . . . A 45 LYS CA . 34260 1 465 . 1 . 1 45 45 LYS CB C 13 30.148 0.096 . . . . . . A 45 LYS CB . 34260 1 466 . 1 . 1 45 45 LYS CG C 13 22.155 0.122 . . . . . . A 45 LYS CG . 34260 1 467 . 1 . 1 45 45 LYS CD C 13 26.602 0.11 . . . . . . A 45 LYS CD . 34260 1 468 . 1 . 1 45 45 LYS CE C 13 38.757 0.093 . . . . . . A 45 LYS CE . 34260 1 469 . 1 . 1 45 45 LYS N N 15 121.243 0.044 . . . . . . A 45 LYS N . 34260 1 470 . 1 . 1 46 46 ILE H H 1 7.371 0.007 . . . . . . A 46 ILE H . 34260 1 471 . 1 . 1 46 46 ILE HA H 1 3.371 0.012 . . . . . . A 46 ILE HA . 34260 1 472 . 1 . 1 46 46 ILE HB H 1 1.83 0.014 . . . . . . A 46 ILE HB . 34260 1 473 . 1 . 1 46 46 ILE HG12 H 1 1.565 0.008 . . . . . . A 46 ILE HG12 . 34260 1 474 . 1 . 1 46 46 ILE HG13 H 1 0.289 0.005 . . . . . . A 46 ILE HG13 . 34260 1 475 . 1 . 1 46 46 ILE HG21 H 1 0.713 0.004 . . . . . . A 46 ILE HG21 . 34260 1 476 . 1 . 1 46 46 ILE HG22 H 1 0.713 0.004 . . . . . . A 46 ILE HG22 . 34260 1 477 . 1 . 1 46 46 ILE HG23 H 1 0.713 0.004 . . . . . . A 46 ILE HG23 . 34260 1 478 . 1 . 1 46 46 ILE HD11 H 1 0.712 0 . . . . . . A 46 ILE HD11 . 34260 1 479 . 1 . 1 46 46 ILE HD12 H 1 0.712 0 . . . . . . A 46 ILE HD12 . 34260 1 480 . 1 . 1 46 46 ILE HD13 H 1 0.712 0 . . . . . . A 46 ILE HD13 . 34260 1 481 . 1 . 1 46 46 ILE CA C 13 63.09 0.082 . . . . . . A 46 ILE CA . 34260 1 482 . 1 . 1 46 46 ILE CB C 13 36.698 0.055 . . . . . . A 46 ILE CB . 34260 1 483 . 1 . 1 46 46 ILE CG1 C 13 26.143 0.2 . . . . . . A 46 ILE CG1 . 34260 1 484 . 1 . 1 46 46 ILE CG2 C 13 13.282 0.139 . . . . . . A 46 ILE CG2 . 34260 1 485 . 1 . 1 46 46 ILE CD1 C 13 11.783 0 . . . . . . A 46 ILE CD1 . 34260 1 486 . 1 . 1 46 46 ILE N N 15 121.06 0.064 . . . . . . A 46 ILE N . 34260 1 487 . 1 . 1 47 47 ILE H H 1 9.393 0.008 . . . . . . A 47 ILE H . 34260 1 488 . 1 . 1 47 47 ILE HA H 1 3.734 0.002 . . . . . . A 47 ILE HA . 34260 1 489 . 1 . 1 47 47 ILE HB H 1 2.321 0.007 . . . . . . A 47 ILE HB . 34260 1 490 . 1 . 1 47 47 ILE HG12 H 1 2.087 0.007 . . . . . . A 47 ILE HG12 . 34260 1 491 . 1 . 1 47 47 ILE HG13 H 1 1.475 0 . . . . . . A 47 ILE HG13 . 34260 1 492 . 1 . 1 47 47 ILE HG21 H 1 0.813 0.007 . . . . . . A 47 ILE HG21 . 34260 1 493 . 1 . 1 47 47 ILE HG22 H 1 0.813 0.007 . . . . . . A 47 ILE HG22 . 34260 1 494 . 1 . 1 47 47 ILE HG23 H 1 0.813 0.007 . . . . . . A 47 ILE HG23 . 34260 1 495 . 1 . 1 47 47 ILE HD11 H 1 0.611 0.005 . . . . . . A 47 ILE HD11 . 34260 1 496 . 1 . 1 47 47 ILE HD12 H 1 0.611 0.005 . . . . . . A 47 ILE HD12 . 34260 1 497 . 1 . 1 47 47 ILE HD13 H 1 0.611 0.005 . . . . . . A 47 ILE HD13 . 34260 1 498 . 1 . 1 47 47 ILE CA C 13 58.461 0.033 . . . . . . A 47 ILE CA . 34260 1 499 . 1 . 1 47 47 ILE CB C 13 31.992 0.151 . . . . . . A 47 ILE CB . 34260 1 500 . 1 . 1 47 47 ILE CG1 C 13 24.96 0.093 . . . . . . A 47 ILE CG1 . 34260 1 501 . 1 . 1 47 47 ILE CG2 C 13 15.672 0.084 . . . . . . A 47 ILE CG2 . 34260 1 502 . 1 . 1 47 47 ILE CD1 C 13 6.155 0.093 . . . . . . A 47 ILE CD1 . 34260 1 503 . 1 . 1 47 47 ILE N N 15 118.585 0.048 . . . . . . A 47 ILE N . 34260 1 504 . 1 . 1 48 48 SER H H 1 7.402 0.008 . . . . . . A 48 SER H . 34260 1 505 . 1 . 1 48 48 SER HA H 1 3.949 0 . . . . . . A 48 SER HA . 34260 1 506 . 1 . 1 48 48 SER CA C 13 60.067 0 . . . . . . A 48 SER CA . 34260 1 507 . 1 . 1 48 48 SER CB C 13 60.213 0.032 . . . . . . A 48 SER CB . 34260 1 508 . 1 . 1 48 48 SER N N 15 113.088 0.059 . . . . . . A 48 SER N . 34260 1 509 . 1 . 1 49 49 LEU H H 1 7.49 0.008 . . . . . . A 49 LEU H . 34260 1 510 . 1 . 1 49 49 LEU HA H 1 4.173 0.007 . . . . . . A 49 LEU HA . 34260 1 511 . 1 . 1 49 49 LEU HB2 H 1 2.017 0.016 . . . . . . A 49 LEU HB2 . 34260 1 512 . 1 . 1 49 49 LEU HB3 H 1 1.631 0.012 . . . . . . A 49 LEU HB3 . 34260 1 513 . 1 . 1 49 49 LEU HG H 1 1.793 0.007 . . . . . . A 49 LEU HG . 34260 1 514 . 1 . 1 49 49 LEU HD11 H 1 0.895 0 . . . . . . A 49 LEU HD11 . 34260 1 515 . 1 . 1 49 49 LEU HD12 H 1 0.895 0 . . . . . . A 49 LEU HD12 . 34260 1 516 . 1 . 1 49 49 LEU HD13 H 1 0.895 0 . . . . . . A 49 LEU HD13 . 34260 1 517 . 1 . 1 49 49 LEU HD21 H 1 0.997 0.008 . . . . . . A 49 LEU HD21 . 34260 1 518 . 1 . 1 49 49 LEU HD22 H 1 0.997 0.008 . . . . . . A 49 LEU HD22 . 34260 1 519 . 1 . 1 49 49 LEU HD23 H 1 0.997 0.008 . . . . . . A 49 LEU HD23 . 34260 1 520 . 1 . 1 49 49 LEU CA C 13 55.598 0.082 . . . . . . A 49 LEU CA . 34260 1 521 . 1 . 1 49 49 LEU CB C 13 39.554 0.119 . . . . . . A 49 LEU CB . 34260 1 522 . 1 . 1 49 49 LEU CG C 13 24.709 0.085 . . . . . . A 49 LEU CG . 34260 1 523 . 1 . 1 49 49 LEU CD1 C 13 22.6 0 . . . . . . A 49 LEU CD1 . 34260 1 524 . 1 . 1 49 49 LEU CD2 C 13 23.23 0.069 . . . . . . A 49 LEU CD2 . 34260 1 525 . 1 . 1 49 49 LEU N N 15 120.145 0.094 . . . . . . A 49 LEU N . 34260 1 526 . 1 . 1 50 50 ILE H H 1 8.105 0.01 . . . . . . A 50 ILE H . 34260 1 527 . 1 . 1 50 50 ILE HA H 1 4.108 0.01 . . . . . . A 50 ILE HA . 34260 1 528 . 1 . 1 50 50 ILE HB H 1 2.172 0.006 . . . . . . A 50 ILE HB . 34260 1 529 . 1 . 1 50 50 ILE HG12 H 1 1.798 0 . . . . . . A 50 ILE HG12 . 34260 1 530 . 1 . 1 50 50 ILE HG13 H 1 1.375 0 . . . . . . A 50 ILE HG13 . 34260 1 531 . 1 . 1 50 50 ILE HG21 H 1 0.881 0.008 . . . . . . A 50 ILE HG21 . 34260 1 532 . 1 . 1 50 50 ILE HG22 H 1 0.881 0.008 . . . . . . A 50 ILE HG22 . 34260 1 533 . 1 . 1 50 50 ILE HG23 H 1 0.881 0.008 . . . . . . A 50 ILE HG23 . 34260 1 534 . 1 . 1 50 50 ILE HD11 H 1 0.724 0.013 . . . . . . A 50 ILE HD11 . 34260 1 535 . 1 . 1 50 50 ILE HD12 H 1 0.724 0.013 . . . . . . A 50 ILE HD12 . 34260 1 536 . 1 . 1 50 50 ILE HD13 H 1 0.724 0.013 . . . . . . A 50 ILE HD13 . 34260 1 537 . 1 . 1 50 50 ILE CA C 13 62.575 0.085 . . . . . . A 50 ILE CA . 34260 1 538 . 1 . 1 50 50 ILE CB C 13 33.953 0.087 . . . . . . A 50 ILE CB . 34260 1 539 . 1 . 1 50 50 ILE CG1 C 13 23.309 0.02 . . . . . . A 50 ILE CG1 . 34260 1 540 . 1 . 1 50 50 ILE CG2 C 13 14.633 0.096 . . . . . . A 50 ILE CG2 . 34260 1 541 . 1 . 1 50 50 ILE CD1 C 13 12.16 0.074 . . . . . . A 50 ILE CD1 . 34260 1 542 . 1 . 1 50 50 ILE N N 15 115.396 0.077 . . . . . . A 50 ILE N . 34260 1 543 . 1 . 1 51 51 ILE H H 1 8.204 0.006 . . . . . . A 51 ILE H . 34260 1 544 . 1 . 1 51 51 ILE HA H 1 3.454 0.01 . . . . . . A 51 ILE HA . 34260 1 545 . 1 . 1 51 51 ILE HB H 1 1.793 0.01 . . . . . . A 51 ILE HB . 34260 1 546 . 1 . 1 51 51 ILE HG12 H 1 1.783 0 . . . . . . A 51 ILE HG12 . 34260 1 547 . 1 . 1 51 51 ILE HG13 H 1 0.577 0 . . . . . . A 51 ILE HG13 . 34260 1 548 . 1 . 1 51 51 ILE HG21 H 1 0.796 0.009 . . . . . . A 51 ILE HG21 . 34260 1 549 . 1 . 1 51 51 ILE HG22 H 1 0.796 0.009 . . . . . . A 51 ILE HG22 . 34260 1 550 . 1 . 1 51 51 ILE HG23 H 1 0.796 0.009 . . . . . . A 51 ILE HG23 . 34260 1 551 . 1 . 1 51 51 ILE HD11 H 1 0.639 0.007 . . . . . . A 51 ILE HD11 . 34260 1 552 . 1 . 1 51 51 ILE HD12 H 1 0.639 0.007 . . . . . . A 51 ILE HD12 . 34260 1 553 . 1 . 1 51 51 ILE HD13 H 1 0.639 0.007 . . . . . . A 51 ILE HD13 . 34260 1 554 . 1 . 1 51 51 ILE CA C 13 64.018 0.207 . . . . . . A 51 ILE CA . 34260 1 555 . 1 . 1 51 51 ILE CB C 13 35.325 0.195 . . . . . . A 51 ILE CB . 34260 1 556 . 1 . 1 51 51 ILE CG1 C 13 26.925 0.009 . . . . . . A 51 ILE CG1 . 34260 1 557 . 1 . 1 51 51 ILE CG2 C 13 14.247 0.157 . . . . . . A 51 ILE CG2 . 34260 1 558 . 1 . 1 51 51 ILE CD1 C 13 12.841 0.082 . . . . . . A 51 ILE CD1 . 34260 1 559 . 1 . 1 51 51 ILE N N 15 125.241 0.097 . . . . . . A 51 ILE N . 34260 1 560 . 1 . 1 52 52 ASP H H 1 7.87 0.01 . . . . . . A 52 ASP H . 34260 1 561 . 1 . 1 52 52 ASP HA H 1 4.218 0.013 . . . . . . A 52 ASP HA . 34260 1 562 . 1 . 1 52 52 ASP HB2 H 1 2.711 0.009 . . . . . . A 52 ASP HB2 . 34260 1 563 . 1 . 1 52 52 ASP HB3 H 1 2.484 0.007 . . . . . . A 52 ASP HB3 . 34260 1 564 . 1 . 1 52 52 ASP CA C 13 55.075 0.11 . . . . . . A 52 ASP CA . 34260 1 565 . 1 . 1 52 52 ASP CB C 13 37.699 0.117 . . . . . . A 52 ASP CB . 34260 1 566 . 1 . 1 52 52 ASP N N 15 119.546 0.065 . . . . . . A 52 ASP N . 34260 1 567 . 1 . 1 53 53 TYR H H 1 8.276 0.007 . . . . . . A 53 TYR H . 34260 1 568 . 1 . 1 53 53 TYR HA H 1 3.904 0.012 . . . . . . A 53 TYR HA . 34260 1 569 . 1 . 1 53 53 TYR HB2 H 1 3.006 0.005 . . . . . . A 53 TYR HB2 . 34260 1 570 . 1 . 1 53 53 TYR HB3 H 1 2.765 0.009 . . . . . . A 53 TYR HB3 . 34260 1 571 . 1 . 1 53 53 TYR HD1 H 1 6.97 0.003 . . . . . . A 53 TYR HD1 . 34260 1 572 . 1 . 1 53 53 TYR HD2 H 1 6.97 0.003 . . . . . . A 53 TYR HD2 . 34260 1 573 . 1 . 1 53 53 TYR HE1 H 1 6.325 0.009 . . . . . . A 53 TYR HE1 . 34260 1 574 . 1 . 1 53 53 TYR HE2 H 1 6.325 0.009 . . . . . . A 53 TYR HE2 . 34260 1 575 . 1 . 1 53 53 TYR CA C 13 59.497 0.186 . . . . . . A 53 TYR CA . 34260 1 576 . 1 . 1 53 53 TYR CB C 13 35.617 0.172 . . . . . . A 53 TYR CB . 34260 1 577 . 1 . 1 53 53 TYR CD1 C 13 129.729 0.066 . . . . . . A 53 TYR CD1 . 34260 1 578 . 1 . 1 53 53 TYR CE1 C 13 113.903 0 . . . . . . A 53 TYR CE1 . 34260 1 579 . 1 . 1 53 53 TYR N N 15 118.354 0.049 . . . . . . A 53 TYR N . 34260 1 580 . 1 . 1 54 54 SER H H 1 7.319 0.006 . . . . . . A 54 SER H . 34260 1 581 . 1 . 1 54 54 SER HB2 H 1 4.007 0 . . . . . . A 54 SER HB2 . 34260 1 582 . 1 . 1 54 54 SER HB3 H 1 4.007 0 . . . . . . A 54 SER HB3 . 34260 1 583 . 1 . 1 54 54 SER CA C 13 58.484 0 . . . . . . A 54 SER CA . 34260 1 584 . 1 . 1 54 54 SER CB C 13 61.697 0.051 . . . . . . A 54 SER CB . 34260 1 585 . 1 . 1 54 54 SER N N 15 111.607 0.06 . . . . . . A 54 SER N . 34260 1 586 . 1 . 1 55 55 ARG H H 1 7.914 0.01 . . . . . . A 55 ARG H . 34260 1 587 . 1 . 1 55 55 ARG HA H 1 4.168 0.027 . . . . . . A 55 ARG HA . 34260 1 588 . 1 . 1 55 55 ARG HB2 H 1 1.78 0.039 . . . . . . A 55 ARG HB2 . 34260 1 589 . 1 . 1 55 55 ARG HB3 H 1 1.575 0.012 . . . . . . A 55 ARG HB3 . 34260 1 590 . 1 . 1 55 55 ARG HD2 H 1 3.044 0.008 . . . . . . A 55 ARG HD2 . 34260 1 591 . 1 . 1 55 55 ARG HD3 H 1 2.883 0.002 . . . . . . A 55 ARG HD3 . 34260 1 592 . 1 . 1 55 55 ARG HE H 1 7.632 0.005 . . . . . . A 55 ARG HE . 34260 1 593 . 1 . 1 55 55 ARG CA C 13 56.636 0.067 . . . . . . A 55 ARG CA . 34260 1 594 . 1 . 1 55 55 ARG CB C 13 28.163 0.173 . . . . . . A 55 ARG CB . 34260 1 595 . 1 . 1 55 55 ARG CG C 13 26.102 0 . . . . . . A 55 ARG CG . 34260 1 596 . 1 . 1 55 55 ARG CD C 13 40.936 0.064 . . . . . . A 55 ARG CD . 34260 1 597 . 1 . 1 55 55 ARG N N 15 114.839 0.05 . . . . . . A 55 ARG N . 34260 1 598 . 1 . 1 55 55 ARG NE N 15 85.281 0.042 . . . . . . A 55 ARG NE . 34260 1 599 . 1 . 1 56 56 LEU H H 1 7.827 0.01 . . . . . . A 56 LEU H . 34260 1 600 . 1 . 1 56 56 LEU HA H 1 4.208 0.017 . . . . . . A 56 LEU HA . 34260 1 601 . 1 . 1 56 56 LEU HB2 H 1 1.55 0.032 . . . . . . A 56 LEU HB2 . 34260 1 602 . 1 . 1 56 56 LEU HB3 H 1 1.326 0.038 . . . . . . A 56 LEU HB3 . 34260 1 603 . 1 . 1 56 56 LEU HG H 1 1.582 0.008 . . . . . . A 56 LEU HG . 34260 1 604 . 1 . 1 56 56 LEU HD11 H 1 0.666 0.007 . . . . . . A 56 LEU HD11 . 34260 1 605 . 1 . 1 56 56 LEU HD12 H 1 0.666 0.007 . . . . . . A 56 LEU HD12 . 34260 1 606 . 1 . 1 56 56 LEU HD13 H 1 0.666 0.007 . . . . . . A 56 LEU HD13 . 34260 1 607 . 1 . 1 56 56 LEU HD21 H 1 0.641 0.005 . . . . . . A 56 LEU HD21 . 34260 1 608 . 1 . 1 56 56 LEU HD22 H 1 0.641 0.005 . . . . . . A 56 LEU HD22 . 34260 1 609 . 1 . 1 56 56 LEU HD23 H 1 0.641 0.005 . . . . . . A 56 LEU HD23 . 34260 1 610 . 1 . 1 56 56 LEU CA C 13 52.568 0.147 . . . . . . A 56 LEU CA . 34260 1 611 . 1 . 1 56 56 LEU CB C 13 40.586 0.106 . . . . . . A 56 LEU CB . 34260 1 612 . 1 . 1 56 56 LEU CG C 13 24.072 0.144 . . . . . . A 56 LEU CG . 34260 1 613 . 1 . 1 56 56 LEU CD1 C 13 22.499 0.194 . . . . . . A 56 LEU CD1 . 34260 1 614 . 1 . 1 56 56 LEU CD2 C 13 19.873 0.129 . . . . . . A 56 LEU CD2 . 34260 1 615 . 1 . 1 56 56 LEU N N 15 116.354 0.048 . . . . . . A 56 LEU N . 34260 1 616 . 1 . 1 57 57 CYS H H 1 7.742 0.006 . . . . . . A 57 CYS H . 34260 1 617 . 1 . 1 57 57 CYS HA H 1 4.251 0 . . . . . . A 57 CYS HA . 34260 1 618 . 1 . 1 57 57 CYS HB2 H 1 2.505 0 . . . . . . A 57 CYS HB2 . 34260 1 619 . 1 . 1 57 57 CYS HB3 H 1 1.986 0 . . . . . . A 57 CYS HB3 . 34260 1 620 . 1 . 1 57 57 CYS CA C 13 54.331 0.131 . . . . . . A 57 CYS CA . 34260 1 621 . 1 . 1 57 57 CYS CB C 13 22.01 0.14 . . . . . . A 57 CYS CB . 34260 1 622 . 1 . 1 57 57 CYS N N 15 119.141 0.042 . . . . . . A 57 CYS N . 34260 1 623 . 1 . 1 58 58 PRO HA H 1 4.346 0.012 . . . . . . A 58 PRO HA . 34260 1 624 . 1 . 1 58 58 PRO HB2 H 1 2.246 0.005 . . . . . . A 58 PRO HB2 . 34260 1 625 . 1 . 1 58 58 PRO HB3 H 1 1.682 0.019 . . . . . . A 58 PRO HB3 . 34260 1 626 . 1 . 1 58 58 PRO HG2 H 1 1.424 0.006 . . . . . . A 58 PRO HG2 . 34260 1 627 . 1 . 1 58 58 PRO HG3 H 1 1.424 0.006 . . . . . . A 58 PRO HG3 . 34260 1 628 . 1 . 1 58 58 PRO HD2 H 1 3.523 0.008 . . . . . . A 58 PRO HD2 . 34260 1 629 . 1 . 1 58 58 PRO HD3 H 1 2.935 0.021 . . . . . . A 58 PRO HD3 . 34260 1 630 . 1 . 1 58 58 PRO CA C 13 60.318 0.135 . . . . . . A 58 PRO CA . 34260 1 631 . 1 . 1 58 58 PRO CB C 13 29.944 0.177 . . . . . . A 58 PRO CB . 34260 1 632 . 1 . 1 58 58 PRO CG C 13 24.478 0.189 . . . . . . A 58 PRO CG . 34260 1 633 . 1 . 1 58 58 PRO CD C 13 47.427 0.049 . . . . . . A 58 PRO CD . 34260 1 634 . 1 . 1 59 59 ASP H H 1 8.714 0.006 . . . . . . A 59 ASP H . 34260 1 635 . 1 . 1 59 59 ASP HA H 1 3.917 0.017 . . . . . . A 59 ASP HA . 34260 1 636 . 1 . 1 59 59 ASP HB2 H 1 2.895 0.009 . . . . . . A 59 ASP HB2 . 34260 1 637 . 1 . 1 59 59 ASP HB3 H 1 2.616 0.014 . . . . . . A 59 ASP HB3 . 34260 1 638 . 1 . 1 59 59 ASP CA C 13 55.702 0.085 . . . . . . A 59 ASP CA . 34260 1 639 . 1 . 1 59 59 ASP CB C 13 36.875 0.155 . . . . . . A 59 ASP CB . 34260 1 640 . 1 . 1 59 59 ASP N N 15 123.694 0.065 . . . . . . A 59 ASP N . 34260 1 641 . 1 . 1 60 60 SER H H 1 8.091 0.006 . . . . . . A 60 SER H . 34260 1 642 . 1 . 1 60 60 SER HA H 1 4.12 0 . . . . . . A 60 SER HA . 34260 1 643 . 1 . 1 60 60 SER HB2 H 1 4.222 0 . . . . . . A 60 SER HB2 . 34260 1 644 . 1 . 1 60 60 SER HB3 H 1 4.222 0 . . . . . . A 60 SER HB3 . 34260 1 645 . 1 . 1 60 60 SER CA C 13 57.303 0.028 . . . . . . A 60 SER CA . 34260 1 646 . 1 . 1 60 60 SER CB C 13 61.423 0.086 . . . . . . A 60 SER CB . 34260 1 647 . 1 . 1 60 60 SER N N 15 110.439 0.031 . . . . . . A 60 SER N . 34260 1 648 . 1 . 1 61 61 HIS H H 1 8.135 0.013 . . . . . . A 61 HIS H . 34260 1 649 . 1 . 1 61 61 HIS HA H 1 4.624 0.035 . . . . . . A 61 HIS HA . 34260 1 650 . 1 . 1 61 61 HIS HB2 H 1 3.339 0.007 . . . . . . A 61 HIS HB2 . 34260 1 651 . 1 . 1 61 61 HIS HB3 H 1 2.849 0.009 . . . . . . A 61 HIS HB3 . 34260 1 652 . 1 . 1 61 61 HIS HD2 H 1 6.664 0 . . . . . . A 61 HIS HD2 . 34260 1 653 . 1 . 1 61 61 HIS HE1 H 1 7.971 0 . . . . . . A 61 HIS HE1 . 34260 1 654 . 1 . 1 61 61 HIS CA C 13 54.694 0.043 . . . . . . A 61 HIS CA . 34260 1 655 . 1 . 1 61 61 HIS CB C 13 29.785 0.208 . . . . . . A 61 HIS CB . 34260 1 656 . 1 . 1 61 61 HIS CD2 C 13 115.734 0 . . . . . . A 61 HIS CD2 . 34260 1 657 . 1 . 1 61 61 HIS CE1 C 13 136.375 0 . . . . . . A 61 HIS CE1 . 34260 1 658 . 1 . 1 61 61 HIS N N 15 122.405 0.033 . . . . . . A 61 HIS N . 34260 1 659 . 1 . 1 62 62 LYS H H 1 7.52 0.004 . . . . . . A 62 LYS H . 34260 1 660 . 1 . 1 62 62 LYS CA C 13 55.4 0 . . . . . . A 62 LYS CA . 34260 1 661 . 1 . 1 62 62 LYS CB C 13 28.927 0 . . . . . . A 62 LYS CB . 34260 1 662 . 1 . 1 62 62 LYS N N 15 121.683 0.057 . . . . . . A 62 LYS N . 34260 1 663 . 1 . 1 63 63 LEU HA H 1 3.456 0.007 . . . . . . A 63 LEU HA . 34260 1 664 . 1 . 1 63 63 LEU HB2 H 1 1.359 0.018 . . . . . . A 63 LEU HB2 . 34260 1 665 . 1 . 1 63 63 LEU HB3 H 1 0.694 0.019 . . . . . . A 63 LEU HB3 . 34260 1 666 . 1 . 1 63 63 LEU HG H 1 0.183 0.01 . . . . . . A 63 LEU HG . 34260 1 667 . 1 . 1 63 63 LEU HD11 H 1 0.12 0.01 . . . . . . A 63 LEU HD11 . 34260 1 668 . 1 . 1 63 63 LEU HD12 H 1 0.12 0.01 . . . . . . A 63 LEU HD12 . 34260 1 669 . 1 . 1 63 63 LEU HD13 H 1 0.12 0.01 . . . . . . A 63 LEU HD13 . 34260 1 670 . 1 . 1 63 63 LEU HD21 H 1 0.125 0.007 . . . . . . A 63 LEU HD21 . 34260 1 671 . 1 . 1 63 63 LEU HD22 H 1 0.125 0.007 . . . . . . A 63 LEU HD22 . 34260 1 672 . 1 . 1 63 63 LEU HD23 H 1 0.125 0.007 . . . . . . A 63 LEU HD23 . 34260 1 673 . 1 . 1 63 63 LEU CA C 13 56.412 0.055 . . . . . . A 63 LEU CA . 34260 1 674 . 1 . 1 63 63 LEU CB C 13 37.745 0.171 . . . . . . A 63 LEU CB . 34260 1 675 . 1 . 1 63 63 LEU CG C 13 23.691 0.075 . . . . . . A 63 LEU CG . 34260 1 676 . 1 . 1 63 63 LEU CD1 C 13 22.885 0.189 . . . . . . A 63 LEU CD1 . 34260 1 677 . 1 . 1 63 63 LEU CD2 C 13 19.97 0.093 . . . . . . A 63 LEU CD2 . 34260 1 678 . 1 . 1 64 64 GLY H H 1 8.637 0.013 . . . . . . A 64 GLY H . 34260 1 679 . 1 . 1 64 64 GLY HA2 H 1 3.861 0.016 . . . . . . A 64 GLY HA2 . 34260 1 680 . 1 . 1 64 64 GLY HA3 H 1 3.384 0.009 . . . . . . A 64 GLY HA3 . 34260 1 681 . 1 . 1 64 64 GLY CA C 13 45.264 0.135 . . . . . . A 64 GLY CA . 34260 1 682 . 1 . 1 64 64 GLY N N 15 105.458 0.032 . . . . . . A 64 GLY N . 34260 1 683 . 1 . 1 65 65 SER H H 1 7.915 0.006 . . . . . . A 65 SER H . 34260 1 684 . 1 . 1 65 65 SER HA H 1 4.255 0.028 . . . . . . A 65 SER HA . 34260 1 685 . 1 . 1 65 65 SER CA C 13 59.019 0.104 . . . . . . A 65 SER CA . 34260 1 686 . 1 . 1 65 65 SER CB C 13 60.474 0.177 . . . . . . A 65 SER CB . 34260 1 687 . 1 . 1 65 65 SER N N 15 117.795 0.041 . . . . . . A 65 SER N . 34260 1 688 . 1 . 1 66 66 LEU H H 1 7.446 0.004 . . . . . . A 66 LEU H . 34260 1 689 . 1 . 1 66 66 LEU HA H 1 4.268 0.021 . . . . . . A 66 LEU HA . 34260 1 690 . 1 . 1 66 66 LEU HB2 H 1 1.888 0.015 . . . . . . A 66 LEU HB2 . 34260 1 691 . 1 . 1 66 66 LEU HB3 H 1 1.29 0.01 . . . . . . A 66 LEU HB3 . 34260 1 692 . 1 . 1 66 66 LEU HG H 1 1.73 0 . . . . . . A 66 LEU HG . 34260 1 693 . 1 . 1 66 66 LEU HD11 H 1 0.617 0.022 . . . . . . A 66 LEU HD11 . 34260 1 694 . 1 . 1 66 66 LEU HD12 H 1 0.617 0.022 . . . . . . A 66 LEU HD12 . 34260 1 695 . 1 . 1 66 66 LEU HD13 H 1 0.617 0.022 . . . . . . A 66 LEU HD13 . 34260 1 696 . 1 . 1 66 66 LEU HD21 H 1 0.682 0 . . . . . . A 66 LEU HD21 . 34260 1 697 . 1 . 1 66 66 LEU HD22 H 1 0.682 0 . . . . . . A 66 LEU HD22 . 34260 1 698 . 1 . 1 66 66 LEU HD23 H 1 0.682 0 . . . . . . A 66 LEU HD23 . 34260 1 699 . 1 . 1 66 66 LEU CA C 13 54.167 0.098 . . . . . . A 66 LEU CA . 34260 1 700 . 1 . 1 66 66 LEU CB C 13 37.93 0.037 . . . . . . A 66 LEU CB . 34260 1 701 . 1 . 1 66 66 LEU CG C 13 23.519 0 . . . . . . A 66 LEU CG . 34260 1 702 . 1 . 1 66 66 LEU CD1 C 13 24.677 0 . . . . . . A 66 LEU CD1 . 34260 1 703 . 1 . 1 66 66 LEU CD2 C 13 18.49 0 . . . . . . A 66 LEU CD2 . 34260 1 704 . 1 . 1 66 66 LEU N N 15 124.365 0.054 . . . . . . A 66 LEU N . 34260 1 705 . 1 . 1 67 67 TYR H H 1 8.134 0.005 . . . . . . A 67 TYR H . 34260 1 706 . 1 . 1 67 67 TYR HA H 1 4.643 0.004 . . . . . . A 67 TYR HA . 34260 1 707 . 1 . 1 67 67 TYR HB2 H 1 3.076 0.017 . . . . . . A 67 TYR HB2 . 34260 1 708 . 1 . 1 67 67 TYR HB3 H 1 3.076 0.017 . . . . . . A 67 TYR HB3 . 34260 1 709 . 1 . 1 67 67 TYR HD1 H 1 6.668 0 . . . . . . A 67 TYR HD1 . 34260 1 710 . 1 . 1 67 67 TYR HD2 H 1 6.668 0 . . . . . . A 67 TYR HD2 . 34260 1 711 . 1 . 1 67 67 TYR HE1 H 1 6.737 0 . . . . . . A 67 TYR HE1 . 34260 1 712 . 1 . 1 67 67 TYR HE2 H 1 6.737 0 . . . . . . A 67 TYR HE2 . 34260 1 713 . 1 . 1 67 67 TYR CA C 13 53.504 0.103 . . . . . . A 67 TYR CA . 34260 1 714 . 1 . 1 67 67 TYR CB C 13 33.429 0.209 . . . . . . A 67 TYR CB . 34260 1 715 . 1 . 1 67 67 TYR CD1 C 13 127.253 0 . . . . . . A 67 TYR CD1 . 34260 1 716 . 1 . 1 67 67 TYR CE1 C 13 116.797 0 . . . . . . A 67 TYR CE1 . 34260 1 717 . 1 . 1 67 67 TYR N N 15 121.596 0.075 . . . . . . A 67 TYR N . 34260 1 718 . 1 . 1 68 68 ILE H H 1 7.924 0.012 . . . . . . A 68 ILE H . 34260 1 719 . 1 . 1 68 68 ILE HA H 1 3.267 0.006 . . . . . . A 68 ILE HA . 34260 1 720 . 1 . 1 68 68 ILE HB H 1 1.803 0.011 . . . . . . A 68 ILE HB . 34260 1 721 . 1 . 1 68 68 ILE HG12 H 1 1.486 0.006 . . . . . . A 68 ILE HG12 . 34260 1 722 . 1 . 1 68 68 ILE HG13 H 1 0.146 0.006 . . . . . . A 68 ILE HG13 . 34260 1 723 . 1 . 1 68 68 ILE HG21 H 1 0.558 0.008 . . . . . . A 68 ILE HG21 . 34260 1 724 . 1 . 1 68 68 ILE HG22 H 1 0.558 0.008 . . . . . . A 68 ILE HG22 . 34260 1 725 . 1 . 1 68 68 ILE HG23 H 1 0.558 0.008 . . . . . . A 68 ILE HG23 . 34260 1 726 . 1 . 1 68 68 ILE HD11 H 1 -0.415 0.017 . . . . . . A 68 ILE HD11 . 34260 1 727 . 1 . 1 68 68 ILE HD12 H 1 -0.415 0.017 . . . . . . A 68 ILE HD12 . 34260 1 728 . 1 . 1 68 68 ILE HD13 H 1 -0.415 0.017 . . . . . . A 68 ILE HD13 . 34260 1 729 . 1 . 1 68 68 ILE CA C 13 64.29 0.056 . . . . . . A 68 ILE CA . 34260 1 730 . 1 . 1 68 68 ILE CB C 13 35.602 0.106 . . . . . . A 68 ILE CB . 34260 1 731 . 1 . 1 68 68 ILE CG1 C 13 27.221 0.1 . . . . . . A 68 ILE CG1 . 34260 1 732 . 1 . 1 68 68 ILE CG2 C 13 15.602 0.2 . . . . . . A 68 ILE CG2 . 34260 1 733 . 1 . 1 68 68 ILE CD1 C 13 10.065 0.106 . . . . . . A 68 ILE CD1 . 34260 1 734 . 1 . 1 68 68 ILE N N 15 122.291 0.048 . . . . . . A 68 ILE N . 34260 1 735 . 1 . 1 69 69 ILE H H 1 6.949 0.011 . . . . . . A 69 ILE H . 34260 1 736 . 1 . 1 69 69 ILE HA H 1 3.28 0.009 . . . . . . A 69 ILE HA . 34260 1 737 . 1 . 1 69 69 ILE HB H 1 2.052 0.019 . . . . . . A 69 ILE HB . 34260 1 738 . 1 . 1 69 69 ILE HG12 H 1 1.754 0 . . . . . . A 69 ILE HG12 . 34260 1 739 . 1 . 1 69 69 ILE HG13 H 1 0.729 0 . . . . . . A 69 ILE HG13 . 34260 1 740 . 1 . 1 69 69 ILE HG21 H 1 0.834 0.001 . . . . . . A 69 ILE HG21 . 34260 1 741 . 1 . 1 69 69 ILE HG22 H 1 0.834 0.001 . . . . . . A 69 ILE HG22 . 34260 1 742 . 1 . 1 69 69 ILE HG23 H 1 0.834 0.001 . . . . . . A 69 ILE HG23 . 34260 1 743 . 1 . 1 69 69 ILE HD11 H 1 0.696 0.015 . . . . . . A 69 ILE HD11 . 34260 1 744 . 1 . 1 69 69 ILE HD12 H 1 0.696 0.015 . . . . . . A 69 ILE HD12 . 34260 1 745 . 1 . 1 69 69 ILE HD13 H 1 0.696 0.015 . . . . . . A 69 ILE HD13 . 34260 1 746 . 1 . 1 69 69 ILE CA C 13 63.838 0.18 . . . . . . A 69 ILE CA . 34260 1 747 . 1 . 1 69 69 ILE CB C 13 35.823 0.086 . . . . . . A 69 ILE CB . 34260 1 748 . 1 . 1 69 69 ILE CG1 C 13 28.637 0.065 . . . . . . A 69 ILE CG1 . 34260 1 749 . 1 . 1 69 69 ILE CG2 C 13 14.077 0.019 . . . . . . A 69 ILE CG2 . 34260 1 750 . 1 . 1 69 69 ILE CD1 C 13 11.108 0.066 . . . . . . A 69 ILE CD1 . 34260 1 751 . 1 . 1 69 69 ILE N N 15 118.283 0.045 . . . . . . A 69 ILE N . 34260 1 752 . 1 . 1 70 70 ASP H H 1 9.163 0.007 . . . . . . A 70 ASP H . 34260 1 753 . 1 . 1 70 70 ASP HA H 1 4.41 0.032 . . . . . . A 70 ASP HA . 34260 1 754 . 1 . 1 70 70 ASP HB2 H 1 3.366 0.009 . . . . . . A 70 ASP HB2 . 34260 1 755 . 1 . 1 70 70 ASP HB3 H 1 3.251 0.007 . . . . . . A 70 ASP HB3 . 34260 1 756 . 1 . 1 70 70 ASP CA C 13 55.894 0.165 . . . . . . A 70 ASP CA . 34260 1 757 . 1 . 1 70 70 ASP CB C 13 41.6 0.177 . . . . . . A 70 ASP CB . 34260 1 758 . 1 . 1 70 70 ASP N N 15 118.696 0.064 . . . . . . A 70 ASP N . 34260 1 759 . 1 . 1 71 71 SER H H 1 7.909 0.013 . . . . . . A 71 SER H . 34260 1 760 . 1 . 1 71 71 SER CA C 13 58.882 0.061 . . . . . . A 71 SER CA . 34260 1 761 . 1 . 1 71 71 SER CB C 13 61.063 0.088 . . . . . . A 71 SER CB . 34260 1 762 . 1 . 1 71 71 SER N N 15 110.138 0.068 . . . . . . A 71 SER N . 34260 1 763 . 1 . 1 72 72 ILE H H 1 7.924 0.014 . . . . . . A 72 ILE H . 34260 1 764 . 1 . 1 72 72 ILE HA H 1 3.283 0.025 . . . . . . A 72 ILE HA . 34260 1 765 . 1 . 1 72 72 ILE HB H 1 1.303 0.011 . . . . . . A 72 ILE HB . 34260 1 766 . 1 . 1 72 72 ILE HG12 H 1 0.591 0.008 . . . . . . A 72 ILE HG12 . 34260 1 767 . 1 . 1 72 72 ILE HG13 H 1 1.759 0.005 . . . . . . A 72 ILE HG13 . 34260 1 768 . 1 . 1 72 72 ILE HG21 H 1 0.665 0.011 . . . . . . A 72 ILE HG21 . 34260 1 769 . 1 . 1 72 72 ILE HG22 H 1 0.665 0.011 . . . . . . A 72 ILE HG22 . 34260 1 770 . 1 . 1 72 72 ILE HG23 H 1 0.665 0.011 . . . . . . A 72 ILE HG23 . 34260 1 771 . 1 . 1 72 72 ILE HD11 H 1 -0.014 0.008 . . . . . . A 72 ILE HD11 . 34260 1 772 . 1 . 1 72 72 ILE HD12 H 1 -0.014 0.008 . . . . . . A 72 ILE HD12 . 34260 1 773 . 1 . 1 72 72 ILE HD13 H 1 -0.014 0.008 . . . . . . A 72 ILE HD13 . 34260 1 774 . 1 . 1 72 72 ILE CA C 13 63.352 0.096 . . . . . . A 72 ILE CA . 34260 1 775 . 1 . 1 72 72 ILE CB C 13 35.648 0.118 . . . . . . A 72 ILE CB . 34260 1 776 . 1 . 1 72 72 ILE CG1 C 13 28.997 0.145 . . . . . . A 72 ILE CG1 . 34260 1 777 . 1 . 1 72 72 ILE CG2 C 13 11.031 0.052 . . . . . . A 72 ILE CG2 . 34260 1 778 . 1 . 1 72 72 ILE CD1 C 13 12.628 0.109 . . . . . . A 72 ILE CD1 . 34260 1 779 . 1 . 1 72 72 ILE N N 15 117.704 0.061 . . . . . . A 72 ILE N . 34260 1 780 . 1 . 1 73 73 GLY H H 1 8.846 0.007 . . . . . . A 73 GLY H . 34260 1 781 . 1 . 1 73 73 GLY HA2 H 1 3.385 0.02 . . . . . . A 73 GLY HA2 . 34260 1 782 . 1 . 1 73 73 GLY HA3 H 1 3.157 0.007 . . . . . . A 73 GLY HA3 . 34260 1 783 . 1 . 1 73 73 GLY CA C 13 44.627 0.102 . . . . . . A 73 GLY CA . 34260 1 784 . 1 . 1 73 73 GLY N N 15 107.283 0.05 . . . . . . A 73 GLY N . 34260 1 785 . 1 . 1 74 74 ARG H H 1 8.63 0.006 . . . . . . A 74 ARG H . 34260 1 786 . 1 . 1 74 74 ARG HA H 1 3.929 0.018 . . . . . . A 74 ARG HA . 34260 1 787 . 1 . 1 74 74 ARG HB2 H 1 2.06 0 . . . . . . A 74 ARG HB2 . 34260 1 788 . 1 . 1 74 74 ARG HB3 H 1 2.06 0 . . . . . . A 74 ARG HB3 . 34260 1 789 . 1 . 1 74 74 ARG HG2 H 1 1.094 0.008 . . . . . . A 74 ARG HG2 . 34260 1 790 . 1 . 1 74 74 ARG HG3 H 1 1.094 0.008 . . . . . . A 74 ARG HG3 . 34260 1 791 . 1 . 1 74 74 ARG HD2 H 1 3.13 0 . . . . . . A 74 ARG HD2 . 34260 1 792 . 1 . 1 74 74 ARG HD3 H 1 3.13 0 . . . . . . A 74 ARG HD3 . 34260 1 793 . 1 . 1 74 74 ARG HE H 1 9.164 0.008 . . . . . . A 74 ARG HE . 34260 1 794 . 1 . 1 74 74 ARG CA C 13 58.867 0.102 . . . . . . A 74 ARG CA . 34260 1 795 . 1 . 1 74 74 ARG CB C 13 26.647 0 . . . . . . A 74 ARG CB . 34260 1 796 . 1 . 1 74 74 ARG CG C 13 31.102 0.045 . . . . . . A 74 ARG CG . 34260 1 797 . 1 . 1 74 74 ARG CD C 13 40.751 0 . . . . . . A 74 ARG CD . 34260 1 798 . 1 . 1 74 74 ARG N N 15 117.761 0.045 . . . . . . A 74 ARG N . 34260 1 799 . 1 . 1 74 74 ARG NE N 15 86.731 0.033 . . . . . . A 74 ARG NE . 34260 1 800 . 1 . 1 75 75 ALA H H 1 7.632 0.005 . . . . . . A 75 ALA H . 34260 1 801 . 1 . 1 75 75 ALA HA H 1 4.236 0.004 . . . . . . A 75 ALA HA . 34260 1 802 . 1 . 1 75 75 ALA HB1 H 1 1.448 0.008 . . . . . . A 75 ALA HB1 . 34260 1 803 . 1 . 1 75 75 ALA HB2 H 1 1.448 0.008 . . . . . . A 75 ALA HB2 . 34260 1 804 . 1 . 1 75 75 ALA HB3 H 1 1.448 0.008 . . . . . . A 75 ALA HB3 . 34260 1 805 . 1 . 1 75 75 ALA CA C 13 52.681 0.152 . . . . . . A 75 ALA CA . 34260 1 806 . 1 . 1 75 75 ALA CB C 13 15.194 0.145 . . . . . . A 75 ALA CB . 34260 1 807 . 1 . 1 75 75 ALA N N 15 123.781 0.048 . . . . . . A 75 ALA N . 34260 1 808 . 1 . 1 76 76 TYR H H 1 8.636 0.019 . . . . . . A 76 TYR H . 34260 1 809 . 1 . 1 76 76 TYR HA H 1 4.348 0 . . . . . . A 76 TYR HA . 34260 1 810 . 1 . 1 76 76 TYR HB2 H 1 3.384 0.008 . . . . . . A 76 TYR HB2 . 34260 1 811 . 1 . 1 76 76 TYR HB3 H 1 2.615 0 . . . . . . A 76 TYR HB3 . 34260 1 812 . 1 . 1 76 76 TYR HD1 H 1 6.866 0 . . . . . . A 76 TYR HD1 . 34260 1 813 . 1 . 1 76 76 TYR HD2 H 1 6.866 0 . . . . . . A 76 TYR HD2 . 34260 1 814 . 1 . 1 76 76 TYR HE1 H 1 6.3 0 . . . . . . A 76 TYR HE1 . 34260 1 815 . 1 . 1 76 76 TYR HE2 H 1 6.3 0 . . . . . . A 76 TYR HE2 . 34260 1 816 . 1 . 1 76 76 TYR CA C 13 55.02 0 . . . . . . A 76 TYR CA . 34260 1 817 . 1 . 1 76 76 TYR CB C 13 33.428 0.112 . . . . . . A 76 TYR CB . 34260 1 818 . 1 . 1 76 76 TYR CD1 C 13 128.445 0 . . . . . . A 76 TYR CD1 . 34260 1 819 . 1 . 1 76 76 TYR CE1 C 13 114.268 0 . . . . . . A 76 TYR CE1 . 34260 1 820 . 1 . 1 76 76 TYR N N 15 119.941 0.088 . . . . . . A 76 TYR N . 34260 1 821 . 1 . 1 77 77 LEU H H 1 8.721 0.016 . . . . . . A 77 LEU H . 34260 1 822 . 1 . 1 77 77 LEU HA H 1 3.814 0.009 . . . . . . A 77 LEU HA . 34260 1 823 . 1 . 1 77 77 LEU HB2 H 1 1.924 0.004 . . . . . . A 77 LEU HB2 . 34260 1 824 . 1 . 1 77 77 LEU HB3 H 1 1.323 0.006 . . . . . . A 77 LEU HB3 . 34260 1 825 . 1 . 1 77 77 LEU HG H 1 1.31 0 . . . . . . A 77 LEU HG . 34260 1 826 . 1 . 1 77 77 LEU HD11 H 1 0.595 0.011 . . . . . . A 77 LEU HD11 . 34260 1 827 . 1 . 1 77 77 LEU HD12 H 1 0.595 0.011 . . . . . . A 77 LEU HD12 . 34260 1 828 . 1 . 1 77 77 LEU HD13 H 1 0.595 0.011 . . . . . . A 77 LEU HD13 . 34260 1 829 . 1 . 1 77 77 LEU HD21 H 1 0.671 0.009 . . . . . . A 77 LEU HD21 . 34260 1 830 . 1 . 1 77 77 LEU HD22 H 1 0.671 0.009 . . . . . . A 77 LEU HD22 . 34260 1 831 . 1 . 1 77 77 LEU HD23 H 1 0.671 0.009 . . . . . . A 77 LEU HD23 . 34260 1 832 . 1 . 1 77 77 LEU CA C 13 54.927 0.007 . . . . . . A 77 LEU CA . 34260 1 833 . 1 . 1 77 77 LEU CB C 13 39.689 0.143 . . . . . . A 77 LEU CB . 34260 1 834 . 1 . 1 77 77 LEU CG C 13 23.754 0 . . . . . . A 77 LEU CG . 34260 1 835 . 1 . 1 77 77 LEU CD1 C 13 23.307 0.042 . . . . . . A 77 LEU CD1 . 34260 1 836 . 1 . 1 77 77 LEU CD2 C 13 20.306 0.076 . . . . . . A 77 LEU CD2 . 34260 1 837 . 1 . 1 77 77 LEU N N 15 123.437 0.074 . . . . . . A 77 LEU N . 34260 1 838 . 1 . 1 78 78 ASP H H 1 7.925 0.005 . . . . . . A 78 ASP H . 34260 1 839 . 1 . 1 78 78 ASP HA H 1 4.29 0.016 . . . . . . A 78 ASP HA . 34260 1 840 . 1 . 1 78 78 ASP HB2 H 1 2.781 0.004 . . . . . . A 78 ASP HB2 . 34260 1 841 . 1 . 1 78 78 ASP HB3 H 1 2.667 0 . . . . . . A 78 ASP HB3 . 34260 1 842 . 1 . 1 78 78 ASP CA C 13 54.983 0.058 . . . . . . A 78 ASP CA . 34260 1 843 . 1 . 1 78 78 ASP CB C 13 37.568 0.095 . . . . . . A 78 ASP CB . 34260 1 844 . 1 . 1 78 78 ASP N N 15 120.185 0.066 . . . . . . A 78 ASP N . 34260 1 845 . 1 . 1 79 79 GLU H H 1 7.498 0.008 . . . . . . A 79 GLU H . 34260 1 846 . 1 . 1 79 79 GLU HA H 1 4.025 0.007 . . . . . . A 79 GLU HA . 34260 1 847 . 1 . 1 79 79 GLU HB2 H 1 2.243 0.009 . . . . . . A 79 GLU HB2 . 34260 1 848 . 1 . 1 79 79 GLU HB3 H 1 2.214 0.032 . . . . . . A 79 GLU HB3 . 34260 1 849 . 1 . 1 79 79 GLU HG2 H 1 2.172 0 . . . . . . A 79 GLU HG2 . 34260 1 850 . 1 . 1 79 79 GLU HG3 H 1 2.172 0 . . . . . . A 79 GLU HG3 . 34260 1 851 . 1 . 1 79 79 GLU CA C 13 56.418 0.194 . . . . . . A 79 GLU CA . 34260 1 852 . 1 . 1 79 79 GLU CB C 13 27.03 0.12 . . . . . . A 79 GLU CB . 34260 1 853 . 1 . 1 79 79 GLU CG C 13 33.132 0.176 . . . . . . A 79 GLU CG . 34260 1 854 . 1 . 1 79 79 GLU N N 15 120.377 0.115 . . . . . . A 79 GLU N . 34260 1 855 . 1 . 1 80 80 THR H H 1 7.882 0.008 . . . . . . A 80 THR H . 34260 1 856 . 1 . 1 80 80 THR HA H 1 4.167 0.013 . . . . . . A 80 THR HA . 34260 1 857 . 1 . 1 80 80 THR HB H 1 4.139 0.026 . . . . . . A 80 THR HB . 34260 1 858 . 1 . 1 80 80 THR HG21 H 1 1.21 0.004 . . . . . . A 80 THR HG21 . 34260 1 859 . 1 . 1 80 80 THR HG22 H 1 1.21 0.004 . . . . . . A 80 THR HG22 . 34260 1 860 . 1 . 1 80 80 THR HG23 H 1 1.21 0.004 . . . . . . A 80 THR HG23 . 34260 1 861 . 1 . 1 80 80 THR CA C 13 61.708 0.097 . . . . . . A 80 THR CA . 34260 1 862 . 1 . 1 80 80 THR CB C 13 67.031 0.187 . . . . . . A 80 THR CB . 34260 1 863 . 1 . 1 80 80 THR CG2 C 13 19.1 0.156 . . . . . . A 80 THR CG2 . 34260 1 864 . 1 . 1 80 80 THR N N 15 110.99 0.047 . . . . . . A 80 THR N . 34260 1 865 . 1 . 1 81 81 ARG H H 1 7.482 0.007 . . . . . . A 81 ARG H . 34260 1 866 . 1 . 1 81 81 ARG HA H 1 4.109 0.006 . . . . . . A 81 ARG HA . 34260 1 867 . 1 . 1 81 81 ARG HB2 H 1 1.811 0 . . . . . . A 81 ARG HB2 . 34260 1 868 . 1 . 1 81 81 ARG HD2 H 1 3.065 0.005 . . . . . . A 81 ARG HD2 . 34260 1 869 . 1 . 1 81 81 ARG HD3 H 1 3.065 0.005 . . . . . . A 81 ARG HD3 . 34260 1 870 . 1 . 1 81 81 ARG CA C 13 55.291 0.179 . . . . . . A 81 ARG CA . 34260 1 871 . 1 . 1 81 81 ARG CB C 13 27.443 0.127 . . . . . . A 81 ARG CB . 34260 1 872 . 1 . 1 81 81 ARG CG C 13 24.911 0 . . . . . . A 81 ARG CG . 34260 1 873 . 1 . 1 81 81 ARG CD C 13 40.818 0.194 . . . . . . A 81 ARG CD . 34260 1 874 . 1 . 1 81 81 ARG N N 15 120.231 0.101 . . . . . . A 81 ARG N . 34260 1 875 . 1 . 1 82 82 SER H H 1 7.752 0.007 . . . . . . A 82 SER H . 34260 1 876 . 1 . 1 82 82 SER HA H 1 4.339 0.005 . . . . . . A 82 SER HA . 34260 1 877 . 1 . 1 82 82 SER HB2 H 1 3.804 0.006 . . . . . . A 82 SER HB2 . 34260 1 878 . 1 . 1 82 82 SER HB3 H 1 3.804 0.006 . . . . . . A 82 SER HB3 . 34260 1 879 . 1 . 1 82 82 SER CA C 13 56.202 0.053 . . . . . . A 82 SER CA . 34260 1 880 . 1 . 1 82 82 SER CB C 13 61.078 0.048 . . . . . . A 82 SER CB . 34260 1 881 . 1 . 1 82 82 SER N N 15 113.568 0.037 . . . . . . A 82 SER N . 34260 1 882 . 1 . 1 83 83 ASN H H 1 7.816 0.024 . . . . . . A 83 ASN H . 34260 1 883 . 1 . 1 83 83 ASN HA H 1 4.711 0.013 . . . . . . A 83 ASN HA . 34260 1 884 . 1 . 1 83 83 ASN HB2 H 1 2.702 0.015 . . . . . . A 83 ASN HB2 . 34260 1 885 . 1 . 1 83 83 ASN HB3 H 1 2.702 0.015 . . . . . . A 83 ASN HB3 . 34260 1 886 . 1 . 1 83 83 ASN CA C 13 50.189 0.117 . . . . . . A 83 ASN CA . 34260 1 887 . 1 . 1 83 83 ASN CB C 13 36.484 0.138 . . . . . . A 83 ASN CB . 34260 1 888 . 1 . 1 83 83 ASN N N 15 119.928 0.144 . . . . . . A 83 ASN N . 34260 1 889 . 1 . 1 84 84 SER H H 1 8.358 0.006 . . . . . . A 84 SER H . 34260 1 890 . 1 . 1 84 84 SER HA H 1 4.301 0.011 . . . . . . A 84 SER HA . 34260 1 891 . 1 . 1 84 84 SER HB2 H 1 3.797 0 . . . . . . A 84 SER HB2 . 34260 1 892 . 1 . 1 84 84 SER HB3 H 1 3.797 0 . . . . . . A 84 SER HB3 . 34260 1 893 . 1 . 1 84 84 SER CA C 13 56.477 0.057 . . . . . . A 84 SER CA . 34260 1 894 . 1 . 1 84 84 SER CB C 13 60.717 0.109 . . . . . . A 84 SER CB . 34260 1 895 . 1 . 1 84 84 SER N N 15 116.792 0.058 . . . . . . A 84 SER N . 34260 1 896 . 1 . 1 85 85 ASN H H 1 8.369 0.009 . . . . . . A 85 ASN H . 34260 1 897 . 1 . 1 85 85 ASN HA H 1 4.659 0 . . . . . . A 85 ASN HA . 34260 1 898 . 1 . 1 85 85 ASN HB2 H 1 2.715 0 . . . . . . A 85 ASN HB2 . 34260 1 899 . 1 . 1 85 85 ASN HB3 H 1 2.715 0 . . . . . . A 85 ASN HB3 . 34260 1 900 . 1 . 1 85 85 ASN CA C 13 50.747 0.082 . . . . . . A 85 ASN CA . 34260 1 901 . 1 . 1 85 85 ASN CB C 13 36.174 0.09 . . . . . . A 85 ASN CB . 34260 1 902 . 1 . 1 85 85 ASN N N 15 120.132 0.052 . . . . . . A 85 ASN N . 34260 1 903 . 1 . 1 86 86 SER H H 1 8.118 0.004 . . . . . . A 86 SER H . 34260 1 904 . 1 . 1 86 86 SER N N 15 116.07 0.033 . . . . . . A 86 SER N . 34260 1 905 . 1 . 1 91 91 PRO HA H 1 3.415 0.015 . . . . . . A 91 PRO HA . 34260 1 906 . 1 . 1 91 91 PRO HB2 H 1 1.821 0.013 . . . . . . A 91 PRO HB2 . 34260 1 907 . 1 . 1 91 91 PRO HB3 H 1 1.588 0.02 . . . . . . A 91 PRO HB3 . 34260 1 908 . 1 . 1 91 91 PRO CA C 13 60.491 0.078 . . . . . . A 91 PRO CA . 34260 1 909 . 1 . 1 91 91 PRO CB C 13 28.533 0.127 . . . . . . A 91 PRO CB . 34260 1 910 . 1 . 1 91 91 PRO CD C 13 46.349 0 . . . . . . A 91 PRO CD . 34260 1 911 . 1 . 1 92 92 GLY H H 1 10.142 0.013 . . . . . . A 92 GLY H . 34260 1 912 . 1 . 1 92 92 GLY HA2 H 1 4.229 0.009 . . . . . . A 92 GLY HA2 . 34260 1 913 . 1 . 1 92 92 GLY HA3 H 1 4.031 0.011 . . . . . . A 92 GLY HA3 . 34260 1 914 . 1 . 1 92 92 GLY CA C 13 43.134 0.161 . . . . . . A 92 GLY CA . 34260 1 915 . 1 . 1 92 92 GLY N N 15 112.493 0.06 . . . . . . A 92 GLY N . 34260 1 916 . 1 . 1 93 93 THR H H 1 7.197 0.008 . . . . . . A 93 THR H . 34260 1 917 . 1 . 1 93 93 THR HA H 1 4.54 0.013 . . . . . . A 93 THR HA . 34260 1 918 . 1 . 1 93 93 THR HB H 1 4.321 0.04 . . . . . . A 93 THR HB . 34260 1 919 . 1 . 1 93 93 THR HG21 H 1 0.996 0.005 . . . . . . A 93 THR HG21 . 34260 1 920 . 1 . 1 93 93 THR HG22 H 1 0.996 0.005 . . . . . . A 93 THR HG22 . 34260 1 921 . 1 . 1 93 93 THR HG23 H 1 0.996 0.005 . . . . . . A 93 THR HG23 . 34260 1 922 . 1 . 1 93 93 THR CA C 13 56.483 0.096 . . . . . . A 93 THR CA . 34260 1 923 . 1 . 1 93 93 THR CB C 13 70.717 0.118 . . . . . . A 93 THR CB . 34260 1 924 . 1 . 1 93 93 THR CG2 C 13 18.392 0.139 . . . . . . A 93 THR CG2 . 34260 1 925 . 1 . 1 93 93 THR N N 15 106.305 0.067 . . . . . . A 93 THR N . 34260 1 926 . 1 . 1 94 94 CYS H H 1 8.786 0.012 . . . . . . A 94 CYS H . 34260 1 927 . 1 . 1 94 94 CYS HA H 1 3.445 0.013 . . . . . . A 94 CYS HA . 34260 1 928 . 1 . 1 94 94 CYS HB2 H 1 2.582 0.005 . . . . . . A 94 CYS HB2 . 34260 1 929 . 1 . 1 94 94 CYS HB3 H 1 2.461 0.007 . . . . . . A 94 CYS HB3 . 34260 1 930 . 1 . 1 94 94 CYS CA C 13 60.694 0.13 . . . . . . A 94 CYS CA . 34260 1 931 . 1 . 1 94 94 CYS CB C 13 25.199 0.095 . . . . . . A 94 CYS CB . 34260 1 932 . 1 . 1 94 94 CYS N N 15 121.521 0.032 . . . . . . A 94 CYS N . 34260 1 933 . 1 . 1 95 95 ALA H H 1 8.41 0.005 . . . . . . A 95 ALA H . 34260 1 934 . 1 . 1 95 95 ALA HA H 1 3.878 0.016 . . . . . . A 95 ALA HA . 34260 1 935 . 1 . 1 95 95 ALA HB1 H 1 1.301 0.019 . . . . . . A 95 ALA HB1 . 34260 1 936 . 1 . 1 95 95 ALA HB2 H 1 1.301 0.019 . . . . . . A 95 ALA HB2 . 34260 1 937 . 1 . 1 95 95 ALA HB3 H 1 1.301 0.019 . . . . . . A 95 ALA HB3 . 34260 1 938 . 1 . 1 95 95 ALA CA C 13 52.405 0.114 . . . . . . A 95 ALA CA . 34260 1 939 . 1 . 1 95 95 ALA CB C 13 15.578 0.136 . . . . . . A 95 ALA CB . 34260 1 940 . 1 . 1 95 95 ALA N N 15 119.631 0.057 . . . . . . A 95 ALA N . 34260 1 941 . 1 . 1 96 96 HIS H H 1 7.626 0.006 . . . . . . A 96 HIS H . 34260 1 942 . 1 . 1 96 96 HIS HA H 1 4.184 0.016 . . . . . . A 96 HIS HA . 34260 1 943 . 1 . 1 96 96 HIS HB2 H 1 2.904 0.036 . . . . . . A 96 HIS HB2 . 34260 1 944 . 1 . 1 96 96 HIS HB3 H 1 2.829 0.031 . . . . . . A 96 HIS HB3 . 34260 1 945 . 1 . 1 96 96 HIS HD2 H 1 7.033 0 . . . . . . A 96 HIS HD2 . 34260 1 946 . 1 . 1 96 96 HIS HE1 H 1 7.579 0 . . . . . . A 96 HIS HE1 . 34260 1 947 . 1 . 1 96 96 HIS CA C 13 57.343 0.085 . . . . . . A 96 HIS CA . 34260 1 948 . 1 . 1 96 96 HIS CB C 13 26.667 0.197 . . . . . . A 96 HIS CB . 34260 1 949 . 1 . 1 96 96 HIS CD2 C 13 114.679 0 . . . . . . A 96 HIS CD2 . 34260 1 950 . 1 . 1 96 96 HIS CE1 C 13 137.91 0 . . . . . . A 96 HIS CE1 . 34260 1 951 . 1 . 1 96 96 HIS N N 15 118.016 0.1 . . . . . . A 96 HIS N . 34260 1 952 . 1 . 1 97 97 ALA H H 1 7.351 0.006 . . . . . . A 97 ALA H . 34260 1 953 . 1 . 1 97 97 ALA HA H 1 3.946 0.009 . . . . . . A 97 ALA HA . 34260 1 954 . 1 . 1 97 97 ALA HB1 H 1 1.668 0.006 . . . . . . A 97 ALA HB1 . 34260 1 955 . 1 . 1 97 97 ALA HB2 H 1 1.668 0.006 . . . . . . A 97 ALA HB2 . 34260 1 956 . 1 . 1 97 97 ALA HB3 H 1 1.668 0.006 . . . . . . A 97 ALA HB3 . 34260 1 957 . 1 . 1 97 97 ALA CA C 13 53.018 0.083 . . . . . . A 97 ALA CA . 34260 1 958 . 1 . 1 97 97 ALA CB C 13 17.48 0.141 . . . . . . A 97 ALA CB . 34260 1 959 . 1 . 1 97 97 ALA N N 15 123.641 0.058 . . . . . . A 97 ALA N . 34260 1 960 . 1 . 1 98 98 ILE H H 1 7.911 0.009 . . . . . . A 98 ILE H . 34260 1 961 . 1 . 1 98 98 ILE HA H 1 3.526 0.01 . . . . . . A 98 ILE HA . 34260 1 962 . 1 . 1 98 98 ILE HB H 1 1.699 0.022 . . . . . . A 98 ILE HB . 34260 1 963 . 1 . 1 98 98 ILE HG12 H 1 0.938 0.01 . . . . . . A 98 ILE HG12 . 34260 1 964 . 1 . 1 98 98 ILE HG13 H 1 1.643 0 . . . . . . A 98 ILE HG13 . 34260 1 965 . 1 . 1 98 98 ILE HG21 H 1 0.774 0.029 . . . . . . A 98 ILE HG21 . 34260 1 966 . 1 . 1 98 98 ILE HG22 H 1 0.774 0.029 . . . . . . A 98 ILE HG22 . 34260 1 967 . 1 . 1 98 98 ILE HG23 H 1 0.774 0.029 . . . . . . A 98 ILE HG23 . 34260 1 968 . 1 . 1 98 98 ILE HD11 H 1 0.644 0 . . . . . . A 98 ILE HD11 . 34260 1 969 . 1 . 1 98 98 ILE HD12 H 1 0.644 0 . . . . . . A 98 ILE HD12 . 34260 1 970 . 1 . 1 98 98 ILE HD13 H 1 0.644 0 . . . . . . A 98 ILE HD13 . 34260 1 971 . 1 . 1 98 98 ILE CA C 13 62.812 0.129 . . . . . . A 98 ILE CA . 34260 1 972 . 1 . 1 98 98 ILE CB C 13 35.354 0.17 . . . . . . A 98 ILE CB . 34260 1 973 . 1 . 1 98 98 ILE CG1 C 13 26.332 0.079 . . . . . . A 98 ILE CG1 . 34260 1 974 . 1 . 1 98 98 ILE CG2 C 13 15.038 0.164 . . . . . . A 98 ILE CG2 . 34260 1 975 . 1 . 1 98 98 ILE CD1 C 13 10.489 0 . . . . . . A 98 ILE CD1 . 34260 1 976 . 1 . 1 98 98 ILE N N 15 115.281 0.153 . . . . . . A 98 ILE N . 34260 1 977 . 1 . 1 99 99 ASN H H 1 7.988 0.01 . . . . . . A 99 ASN H . 34260 1 978 . 1 . 1 99 99 ASN HA H 1 4.365 0.028 . . . . . . A 99 ASN HA . 34260 1 979 . 1 . 1 99 99 ASN HB2 H 1 2.819 0.007 . . . . . . A 99 ASN HB2 . 34260 1 980 . 1 . 1 99 99 ASN HB3 H 1 2.704 0.007 . . . . . . A 99 ASN HB3 . 34260 1 981 . 1 . 1 99 99 ASN HD21 H 1 7.603 0 . . . . . . A 99 ASN HD21 . 34260 1 982 . 1 . 1 99 99 ASN HD22 H 1 6.862 0 . . . . . . A 99 ASN HD22 . 34260 1 983 . 1 . 1 99 99 ASN CA C 13 53.934 0.214 . . . . . . A 99 ASN CA . 34260 1 984 . 1 . 1 99 99 ASN CB C 13 36.022 0.186 . . . . . . A 99 ASN CB . 34260 1 985 . 1 . 1 99 99 ASN N N 15 120.626 0.044 . . . . . . A 99 ASN N . 34260 1 986 . 1 . 1 99 99 ASN ND2 N 15 112.9 0 . . . . . . A 99 ASN ND2 . 34260 1 987 . 1 . 1 100 100 THR H H 1 8.307 0.007 . . . . . . A 100 THR H . 34260 1 988 . 1 . 1 100 100 THR HA H 1 3.633 0.01 . . . . . . A 100 THR HA . 34260 1 989 . 1 . 1 100 100 THR HB H 1 4.137 0 . . . . . . A 100 THR HB . 34260 1 990 . 1 . 1 100 100 THR HG21 H 1 0.931 0.008 . . . . . . A 100 THR HG21 . 34260 1 991 . 1 . 1 100 100 THR HG22 H 1 0.931 0.008 . . . . . . A 100 THR HG22 . 34260 1 992 . 1 . 1 100 100 THR HG23 H 1 0.931 0.008 . . . . . . A 100 THR HG23 . 34260 1 993 . 1 . 1 100 100 THR CA C 13 63.77 0.09 . . . . . . A 100 THR CA . 34260 1 994 . 1 . 1 100 100 THR CB C 13 65.653 0.186 . . . . . . A 100 THR CB . 34260 1 995 . 1 . 1 100 100 THR CG2 C 13 19.046 0.142 . . . . . . A 100 THR CG2 . 34260 1 996 . 1 . 1 100 100 THR N N 15 117.797 0.043 . . . . . . A 100 THR N . 34260 1 997 . 1 . 1 101 101 LEU H H 1 7.821 0 . . . . . . A 101 LEU H . 34260 1 998 . 1 . 1 101 101 LEU HA H 1 3.736 0.007 . . . . . . A 101 LEU HA . 34260 1 999 . 1 . 1 101 101 LEU HB2 H 1 2.146 0.016 . . . . . . A 101 LEU HB2 . 34260 1 1000 . 1 . 1 101 101 LEU HB3 H 1 1.153 0.022 . . . . . . A 101 LEU HB3 . 34260 1 1001 . 1 . 1 101 101 LEU HG H 1 1.82 0 . . . . . . A 101 LEU HG . 34260 1 1002 . 1 . 1 101 101 LEU HD11 H 1 0.71 0 . . . . . . A 101 LEU HD11 . 34260 1 1003 . 1 . 1 101 101 LEU HD12 H 1 0.71 0 . . . . . . A 101 LEU HD12 . 34260 1 1004 . 1 . 1 101 101 LEU HD13 H 1 0.71 0 . . . . . . A 101 LEU HD13 . 34260 1 1005 . 1 . 1 101 101 LEU HD21 H 1 0.672 0 . . . . . . A 101 LEU HD21 . 34260 1 1006 . 1 . 1 101 101 LEU HD22 H 1 0.672 0 . . . . . . A 101 LEU HD22 . 34260 1 1007 . 1 . 1 101 101 LEU HD23 H 1 0.672 0 . . . . . . A 101 LEU HD23 . 34260 1 1008 . 1 . 1 101 101 LEU CA C 13 54.737 0.156 . . . . . . A 101 LEU CA . 34260 1 1009 . 1 . 1 101 101 LEU CB C 13 40.788 0.196 . . . . . . A 101 LEU CB . 34260 1 1010 . 1 . 1 101 101 LEU CG C 13 23.633 0 . . . . . . A 101 LEU CG . 34260 1 1011 . 1 . 1 101 101 LEU CD1 C 13 21.977 0 . . . . . . A 101 LEU CD1 . 34260 1 1012 . 1 . 1 101 101 LEU CD2 C 13 20.227 0 . . . . . . A 101 LEU CD2 . 34260 1 1013 . 1 . 1 102 102 GLY H H 1 8.604 0.011 . . . . . . A 102 GLY H . 34260 1 1014 . 1 . 1 102 102 GLY HA2 H 1 4.124 0.012 . . . . . . A 102 GLY HA2 . 34260 1 1015 . 1 . 1 102 102 GLY HA3 H 1 3.367 0.018 . . . . . . A 102 GLY HA3 . 34260 1 1016 . 1 . 1 102 102 GLY CA C 13 45.137 0.122 . . . . . . A 102 GLY CA . 34260 1 1017 . 1 . 1 102 102 GLY N N 15 105.76 0.103 . . . . . . A 102 GLY N . 34260 1 1018 . 1 . 1 103 103 GLU H H 1 7.461 0.003 . . . . . . A 103 GLU H . 34260 1 1019 . 1 . 1 103 103 GLU HA H 1 4.081 0.007 . . . . . . A 103 GLU HA . 34260 1 1020 . 1 . 1 103 103 GLU HB2 H 1 2.058 0.033 . . . . . . A 103 GLU HB2 . 34260 1 1021 . 1 . 1 103 103 GLU HB3 H 1 2.067 0.026 . . . . . . A 103 GLU HB3 . 34260 1 1022 . 1 . 1 103 103 GLU HG2 H 1 2.386 0.002 . . . . . . A 103 GLU HG2 . 34260 1 1023 . 1 . 1 103 103 GLU HG3 H 1 2.33 0.009 . . . . . . A 103 GLU HG3 . 34260 1 1024 . 1 . 1 103 103 GLU CA C 13 55.281 0.156 . . . . . . A 103 GLU CA . 34260 1 1025 . 1 . 1 103 103 GLU CB C 13 27.159 0.141 . . . . . . A 103 GLU CB . 34260 1 1026 . 1 . 1 103 103 GLU CG C 13 33.944 0.183 . . . . . . A 103 GLU CG . 34260 1 1027 . 1 . 1 103 103 GLU N N 15 116.423 0.045 . . . . . . A 103 GLU N . 34260 1 1028 . 1 . 1 104 104 VAL H H 1 7.023 0.009 . . . . . . A 104 VAL H . 34260 1 1029 . 1 . 1 104 104 VAL HA H 1 4.766 0.019 . . . . . . A 104 VAL HA . 34260 1 1030 . 1 . 1 104 104 VAL HB H 1 2.249 0.009 . . . . . . A 104 VAL HB . 34260 1 1031 . 1 . 1 104 104 VAL HG11 H 1 0.801 0.014 . . . . . . A 104 VAL HG11 . 34260 1 1032 . 1 . 1 104 104 VAL HG12 H 1 0.801 0.014 . . . . . . A 104 VAL HG12 . 34260 1 1033 . 1 . 1 104 104 VAL HG13 H 1 0.801 0.014 . . . . . . A 104 VAL HG13 . 34260 1 1034 . 1 . 1 104 104 VAL HG21 H 1 0.763 0.031 . . . . . . A 104 VAL HG21 . 34260 1 1035 . 1 . 1 104 104 VAL HG22 H 1 0.763 0.031 . . . . . . A 104 VAL HG22 . 34260 1 1036 . 1 . 1 104 104 VAL HG23 H 1 0.763 0.031 . . . . . . A 104 VAL HG23 . 34260 1 1037 . 1 . 1 104 104 VAL CA C 13 57.689 0.122 . . . . . . A 104 VAL CA . 34260 1 1038 . 1 . 1 104 104 VAL CB C 13 30.575 0.122 . . . . . . A 104 VAL CB . 34260 1 1039 . 1 . 1 104 104 VAL CG1 C 13 18.174 0.166 . . . . . . A 104 VAL CG1 . 34260 1 1040 . 1 . 1 104 104 VAL CG2 C 13 17.294 0.108 . . . . . . A 104 VAL CG2 . 34260 1 1041 . 1 . 1 104 104 VAL N N 15 108.225 0.053 . . . . . . A 104 VAL N . 34260 1 1042 . 1 . 1 105 105 ILE H H 1 7.201 0.005 . . . . . . A 105 ILE H . 34260 1 1043 . 1 . 1 105 105 ILE HA H 1 3.749 0.009 . . . . . . A 105 ILE HA . 34260 1 1044 . 1 . 1 105 105 ILE HB H 1 1.271 0.013 . . . . . . A 105 ILE HB . 34260 1 1045 . 1 . 1 105 105 ILE HG21 H 1 0.43 0.013 . . . . . . A 105 ILE HG21 . 34260 1 1046 . 1 . 1 105 105 ILE HG22 H 1 0.43 0.013 . . . . . . A 105 ILE HG22 . 34260 1 1047 . 1 . 1 105 105 ILE HG23 H 1 0.43 0.013 . . . . . . A 105 ILE HG23 . 34260 1 1048 . 1 . 1 105 105 ILE HD11 H 1 0.53 0 . . . . . . A 105 ILE HD11 . 34260 1 1049 . 1 . 1 105 105 ILE HD12 H 1 0.53 0 . . . . . . A 105 ILE HD12 . 34260 1 1050 . 1 . 1 105 105 ILE HD13 H 1 0.53 0 . . . . . . A 105 ILE HD13 . 34260 1 1051 . 1 . 1 105 105 ILE CA C 13 58.2 0.188 . . . . . . A 105 ILE CA . 34260 1 1052 . 1 . 1 105 105 ILE CB C 13 35.182 0.104 . . . . . . A 105 ILE CB . 34260 1 1053 . 1 . 1 105 105 ILE CG2 C 13 15.756 0.126 . . . . . . A 105 ILE CG2 . 34260 1 1054 . 1 . 1 105 105 ILE CD1 C 13 11.233 0 . . . . . . A 105 ILE CD1 . 34260 1 1055 . 1 . 1 105 105 ILE N N 15 123.763 0.048 . . . . . . A 105 ILE N . 34260 1 1056 . 1 . 1 106 106 GLN H H 1 8.556 0.007 . . . . . . A 106 GLN H . 34260 1 1057 . 1 . 1 106 106 GLN HA H 1 3.654 0.007 . . . . . . A 106 GLN HA . 34260 1 1058 . 1 . 1 106 106 GLN HB2 H 1 1.9 0.013 . . . . . . A 106 GLN HB2 . 34260 1 1059 . 1 . 1 106 106 GLN HB3 H 1 1.705 0.014 . . . . . . A 106 GLN HB3 . 34260 1 1060 . 1 . 1 106 106 GLN HG2 H 1 2.145 0 . . . . . . A 106 GLN HG2 . 34260 1 1061 . 1 . 1 106 106 GLN HG3 H 1 1.858 0.007 . . . . . . A 106 GLN HG3 . 34260 1 1062 . 1 . 1 106 106 GLN CA C 13 58.19 0.116 . . . . . . A 106 GLN CA . 34260 1 1063 . 1 . 1 106 106 GLN CB C 13 26.667 0.023 . . . . . . A 106 GLN CB . 34260 1 1064 . 1 . 1 106 106 GLN CG C 13 33.524 0.051 . . . . . . A 106 GLN CG . 34260 1 1065 . 1 . 1 106 106 GLN N N 15 121.129 0.055 . . . . . . A 106 GLN N . 34260 1 1066 . 1 . 1 107 107 GLU H H 1 7.777 0.006 . . . . . . A 107 GLU H . 34260 1 1067 . 1 . 1 107 107 GLU HA H 1 3.829 0.021 . . . . . . A 107 GLU HA . 34260 1 1068 . 1 . 1 107 107 GLU HB2 H 1 1.954 0.016 . . . . . . A 107 GLU HB2 . 34260 1 1069 . 1 . 1 107 107 GLU HB3 H 1 1.954 0.016 . . . . . . A 107 GLU HB3 . 34260 1 1070 . 1 . 1 107 107 GLU HG2 H 1 2.222 0 . . . . . . A 107 GLU HG2 . 34260 1 1071 . 1 . 1 107 107 GLU HG3 H 1 1.906 0.032 . . . . . . A 107 GLU HG3 . 34260 1 1072 . 1 . 1 107 107 GLU CA C 13 56.447 0.062 . . . . . . A 107 GLU CA . 34260 1 1073 . 1 . 1 107 107 GLU CB C 13 26.057 0.208 . . . . . . A 107 GLU CB . 34260 1 1074 . 1 . 1 107 107 GLU CG C 13 32.307 0.158 . . . . . . A 107 GLU CG . 34260 1 1075 . 1 . 1 107 107 GLU N N 15 122.772 0.056 . . . . . . A 107 GLU N . 34260 1 1076 . 1 . 1 108 108 LEU H H 1 8.013 0.029 . . . . . . A 108 LEU H . 34260 1 1077 . 1 . 1 108 108 LEU HA H 1 3.984 0.01 . . . . . . A 108 LEU HA . 34260 1 1078 . 1 . 1 108 108 LEU HB2 H 1 1.629 0.008 . . . . . . A 108 LEU HB2 . 34260 1 1079 . 1 . 1 108 108 LEU HB3 H 1 1.216 0.009 . . . . . . A 108 LEU HB3 . 34260 1 1080 . 1 . 1 108 108 LEU HG H 1 1.819 0.002 . . . . . . A 108 LEU HG . 34260 1 1081 . 1 . 1 108 108 LEU HD11 H 1 0.641 0.005 . . . . . . A 108 LEU HD11 . 34260 1 1082 . 1 . 1 108 108 LEU HD12 H 1 0.641 0.005 . . . . . . A 108 LEU HD12 . 34260 1 1083 . 1 . 1 108 108 LEU HD13 H 1 0.641 0.005 . . . . . . A 108 LEU HD13 . 34260 1 1084 . 1 . 1 108 108 LEU HD21 H 1 0.696 0.012 . . . . . . A 108 LEU HD21 . 34260 1 1085 . 1 . 1 108 108 LEU HD22 H 1 0.696 0.012 . . . . . . A 108 LEU HD22 . 34260 1 1086 . 1 . 1 108 108 LEU HD23 H 1 0.696 0.012 . . . . . . A 108 LEU HD23 . 34260 1 1087 . 1 . 1 108 108 LEU CA C 13 54.628 0.151 . . . . . . A 108 LEU CA . 34260 1 1088 . 1 . 1 108 108 LEU CB C 13 38.353 0.167 . . . . . . A 108 LEU CB . 34260 1 1089 . 1 . 1 108 108 LEU CG C 13 23.393 0.12 . . . . . . A 108 LEU CG . 34260 1 1090 . 1 . 1 108 108 LEU CD1 C 13 18.605 0.037 . . . . . . A 108 LEU CD1 . 34260 1 1091 . 1 . 1 108 108 LEU CD2 C 13 23.249 0.062 . . . . . . A 108 LEU CD2 . 34260 1 1092 . 1 . 1 108 108 LEU N N 15 116.592 0.072 . . . . . . A 108 LEU N . 34260 1 1093 . 1 . 1 109 109 LEU H H 1 8.817 0.007 . . . . . . A 109 LEU H . 34260 1 1094 . 1 . 1 109 109 LEU HA H 1 3.845 0.013 . . . . . . A 109 LEU HA . 34260 1 1095 . 1 . 1 109 109 LEU HB2 H 1 2.097 0.007 . . . . . . A 109 LEU HB2 . 34260 1 1096 . 1 . 1 109 109 LEU HB3 H 1 1.112 0.009 . . . . . . A 109 LEU HB3 . 34260 1 1097 . 1 . 1 109 109 LEU HG H 1 1.74 0 . . . . . . A 109 LEU HG . 34260 1 1098 . 1 . 1 109 109 LEU HD11 H 1 0.857 0.004 . . . . . . A 109 LEU HD11 . 34260 1 1099 . 1 . 1 109 109 LEU HD12 H 1 0.857 0.004 . . . . . . A 109 LEU HD12 . 34260 1 1100 . 1 . 1 109 109 LEU HD13 H 1 0.857 0.004 . . . . . . A 109 LEU HD13 . 34260 1 1101 . 1 . 1 109 109 LEU HD21 H 1 0.879 0 . . . . . . A 109 LEU HD21 . 34260 1 1102 . 1 . 1 109 109 LEU HD22 H 1 0.879 0 . . . . . . A 109 LEU HD22 . 34260 1 1103 . 1 . 1 109 109 LEU HD23 H 1 0.879 0 . . . . . . A 109 LEU HD23 . 34260 1 1104 . 1 . 1 109 109 LEU CA C 13 55.314 0.058 . . . . . . A 109 LEU CA . 34260 1 1105 . 1 . 1 109 109 LEU CB C 13 41.042 0.073 . . . . . . A 109 LEU CB . 34260 1 1106 . 1 . 1 109 109 LEU CG C 13 24.841 0.009 . . . . . . A 109 LEU CG . 34260 1 1107 . 1 . 1 109 109 LEU CD1 C 13 21.476 0.113 . . . . . . A 109 LEU CD1 . 34260 1 1108 . 1 . 1 109 109 LEU CD2 C 13 24.152 0 . . . . . . A 109 LEU CD2 . 34260 1 1109 . 1 . 1 109 109 LEU N N 15 118.659 0.042 . . . . . . A 109 LEU N . 34260 1 1110 . 1 . 1 110 110 SER H H 1 8.157 0.005 . . . . . . A 110 SER H . 34260 1 1111 . 1 . 1 110 110 SER HB2 H 1 3.948 0 . . . . . . A 110 SER HB2 . 34260 1 1112 . 1 . 1 110 110 SER HB3 H 1 3.765 0 . . . . . . A 110 SER HB3 . 34260 1 1113 . 1 . 1 110 110 SER CA C 13 59.888 0.117 . . . . . . A 110 SER CA . 34260 1 1114 . 1 . 1 110 110 SER CB C 13 60.129 0.069 . . . . . . A 110 SER CB . 34260 1 1115 . 1 . 1 110 110 SER N N 15 114.22 0.033 . . . . . . A 110 SER N . 34260 1 1116 . 1 . 1 111 111 ASP H H 1 7.615 0.01 . . . . . . A 111 ASP H . 34260 1 1117 . 1 . 1 111 111 ASP HA H 1 4.329 0.031 . . . . . . A 111 ASP HA . 34260 1 1118 . 1 . 1 111 111 ASP HB2 H 1 2.622 0.012 . . . . . . A 111 ASP HB2 . 34260 1 1119 . 1 . 1 111 111 ASP HB3 H 1 2.424 0.005 . . . . . . A 111 ASP HB3 . 34260 1 1120 . 1 . 1 111 111 ASP CA C 13 54.856 0.108 . . . . . . A 111 ASP CA . 34260 1 1121 . 1 . 1 111 111 ASP CB C 13 39.481 0.093 . . . . . . A 111 ASP CB . 34260 1 1122 . 1 . 1 111 111 ASP N N 15 120.187 0.07 . . . . . . A 111 ASP N . 34260 1 1123 . 1 . 1 112 112 ALA H H 1 7.645 0.01 . . . . . . A 112 ALA H . 34260 1 1124 . 1 . 1 112 112 ALA HA H 1 3.608 0.004 . . . . . . A 112 ALA HA . 34260 1 1125 . 1 . 1 112 112 ALA HB1 H 1 1.299 0.005 . . . . . . A 112 ALA HB1 . 34260 1 1126 . 1 . 1 112 112 ALA HB2 H 1 1.299 0.005 . . . . . . A 112 ALA HB2 . 34260 1 1127 . 1 . 1 112 112 ALA HB3 H 1 1.299 0.005 . . . . . . A 112 ALA HB3 . 34260 1 1128 . 1 . 1 112 112 ALA CA C 13 52.611 0.092 . . . . . . A 112 ALA CA . 34260 1 1129 . 1 . 1 112 112 ALA CB C 13 17.27 0.05 . . . . . . A 112 ALA CB . 34260 1 1130 . 1 . 1 112 112 ALA N N 15 116.906 0.135 . . . . . . A 112 ALA N . 34260 1 1131 . 1 . 1 113 113 ILE H H 1 8.68 0.007 . . . . . . A 113 ILE H . 34260 1 1132 . 1 . 1 113 113 ILE HA H 1 3.229 0.007 . . . . . . A 113 ILE HA . 34260 1 1133 . 1 . 1 113 113 ILE HB H 1 1.646 0.007 . . . . . . A 113 ILE HB . 34260 1 1134 . 1 . 1 113 113 ILE HG12 H 1 1.928 0 . . . . . . A 113 ILE HG12 . 34260 1 1135 . 1 . 1 113 113 ILE HG13 H 1 0.631 0.005 . . . . . . A 113 ILE HG13 . 34260 1 1136 . 1 . 1 113 113 ILE HG21 H 1 0.525 0.005 . . . . . . A 113 ILE HG21 . 34260 1 1137 . 1 . 1 113 113 ILE HG22 H 1 0.525 0.005 . . . . . . A 113 ILE HG22 . 34260 1 1138 . 1 . 1 113 113 ILE HG23 H 1 0.525 0.005 . . . . . . A 113 ILE HG23 . 34260 1 1139 . 1 . 1 113 113 ILE HD11 H 1 0.544 0.007 . . . . . . A 113 ILE HD11 . 34260 1 1140 . 1 . 1 113 113 ILE HD12 H 1 0.544 0.007 . . . . . . A 113 ILE HD12 . 34260 1 1141 . 1 . 1 113 113 ILE HD13 H 1 0.544 0.007 . . . . . . A 113 ILE HD13 . 34260 1 1142 . 1 . 1 113 113 ILE CA C 13 63.385 0.114 . . . . . . A 113 ILE CA . 34260 1 1143 . 1 . 1 113 113 ILE CB C 13 35.803 0.151 . . . . . . A 113 ILE CB . 34260 1 1144 . 1 . 1 113 113 ILE CG1 C 13 29.617 0.154 . . . . . . A 113 ILE CG1 . 34260 1 1145 . 1 . 1 113 113 ILE CG2 C 13 15.956 0.058 . . . . . . A 113 ILE CG2 . 34260 1 1146 . 1 . 1 113 113 ILE CD1 C 13 13.338 0.132 . . . . . . A 113 ILE CD1 . 34260 1 1147 . 1 . 1 113 113 ILE N N 15 118.985 0.048 . . . . . . A 113 ILE N . 34260 1 1148 . 1 . 1 114 114 ALA H H 1 7.711 0.01 . . . . . . A 114 ALA H . 34260 1 1149 . 1 . 1 114 114 ALA HA H 1 3.895 0.007 . . . . . . A 114 ALA HA . 34260 1 1150 . 1 . 1 114 114 ALA HB1 H 1 1.326 0 . . . . . . A 114 ALA HB1 . 34260 1 1151 . 1 . 1 114 114 ALA HB2 H 1 1.326 0 . . . . . . A 114 ALA HB2 . 34260 1 1152 . 1 . 1 114 114 ALA HB3 H 1 1.326 0 . . . . . . A 114 ALA HB3 . 34260 1 1153 . 1 . 1 114 114 ALA CA C 13 52.297 0.082 . . . . . . A 114 ALA CA . 34260 1 1154 . 1 . 1 114 114 ALA CB C 13 15.757 0.096 . . . . . . A 114 ALA CB . 34260 1 1155 . 1 . 1 114 114 ALA N N 15 120.07 0.042 . . . . . . A 114 ALA N . 34260 1 1156 . 1 . 1 115 115 LYS H H 1 7.248 0.007 . . . . . . A 115 LYS H . 34260 1 1157 . 1 . 1 115 115 LYS HA H 1 4.083 0.025 . . . . . . A 115 LYS HA . 34260 1 1158 . 1 . 1 115 115 LYS HB2 H 1 1.838 0.012 . . . . . . A 115 LYS HB2 . 34260 1 1159 . 1 . 1 115 115 LYS HB3 H 1 1.399 0.013 . . . . . . A 115 LYS HB3 . 34260 1 1160 . 1 . 1 115 115 LYS HG2 H 1 1.352 0.062 . . . . . . A 115 LYS HG2 . 34260 1 1161 . 1 . 1 115 115 LYS HG3 H 1 1.352 0.062 . . . . . . A 115 LYS HG3 . 34260 1 1162 . 1 . 1 115 115 LYS HD2 H 1 1.391 0 . . . . . . A 115 LYS HD2 . 34260 1 1163 . 1 . 1 115 115 LYS HD3 H 1 1.391 0 . . . . . . A 115 LYS HD3 . 34260 1 1164 . 1 . 1 115 115 LYS HE2 H 1 2.9 0 . . . . . . A 115 LYS HE2 . 34260 1 1165 . 1 . 1 115 115 LYS CA C 13 53.688 0.036 . . . . . . A 115 LYS CA . 34260 1 1166 . 1 . 1 115 115 LYS CB C 13 31.447 0.11 . . . . . . A 115 LYS CB . 34260 1 1167 . 1 . 1 115 115 LYS CG C 13 23.866 0.056 . . . . . . A 115 LYS CG . 34260 1 1168 . 1 . 1 115 115 LYS CD C 13 26.275 0.046 . . . . . . A 115 LYS CD . 34260 1 1169 . 1 . 1 115 115 LYS CE C 13 39.66 0.129 . . . . . . A 115 LYS CE . 34260 1 1170 . 1 . 1 115 115 LYS N N 15 113.823 0.036 . . . . . . A 115 LYS N . 34260 1 1171 . 1 . 1 116 116 SER H H 1 7.147 0.01 . . . . . . A 116 SER H . 34260 1 1172 . 1 . 1 116 116 SER HA H 1 4.518 0.008 . . . . . . A 116 SER HA . 34260 1 1173 . 1 . 1 116 116 SER HB2 H 1 4.036 0.005 . . . . . . A 116 SER HB2 . 34260 1 1174 . 1 . 1 116 116 SER HB3 H 1 3.795 0.019 . . . . . . A 116 SER HB3 . 34260 1 1175 . 1 . 1 116 116 SER CA C 13 57.739 0.062 . . . . . . A 116 SER CA . 34260 1 1176 . 1 . 1 116 116 SER CB C 13 62.976 0.076 . . . . . . A 116 SER CB . 34260 1 1177 . 1 . 1 116 116 SER N N 15 115.91 0.057 . . . . . . A 116 SER N . 34260 1 1178 . 1 . 1 117 117 ASN H H 1 8.444 0.009 . . . . . . A 117 ASN H . 34260 1 1179 . 1 . 1 117 117 ASN HA H 1 4.532 0.011 . . . . . . A 117 ASN HA . 34260 1 1180 . 1 . 1 117 117 ASN HB2 H 1 3.145 0.009 . . . . . . A 117 ASN HB2 . 34260 1 1181 . 1 . 1 117 117 ASN HB3 H 1 2.758 0.01 . . . . . . A 117 ASN HB3 . 34260 1 1182 . 1 . 1 117 117 ASN HD21 H 1 7.208 0.002 . . . . . . A 117 ASN HD21 . 34260 1 1183 . 1 . 1 117 117 ASN HD22 H 1 6.226 0.002 . . . . . . A 117 ASN HD22 . 34260 1 1184 . 1 . 1 117 117 ASN CA C 13 49.151 0.123 . . . . . . A 117 ASN CA . 34260 1 1185 . 1 . 1 117 117 ASN CB C 13 35.185 0.16 . . . . . . A 117 ASN CB . 34260 1 1186 . 1 . 1 117 117 ASN N N 15 119.677 0.062 . . . . . . A 117 ASN N . 34260 1 1187 . 1 . 1 117 117 ASN ND2 N 15 110.208 0.011 . . . . . . A 117 ASN ND2 . 34260 1 1188 . 1 . 1 118 118 GLN H H 1 8.425 0.007 . . . . . . A 118 GLN H . 34260 1 1189 . 1 . 1 118 118 GLN HA H 1 3.773 0 . . . . . . A 118 GLN HA . 34260 1 1190 . 1 . 1 118 118 GLN HB2 H 1 1.99 0 . . . . . . A 118 GLN HB2 . 34260 1 1191 . 1 . 1 118 118 GLN HB3 H 1 1.99 0 . . . . . . A 118 GLN HB3 . 34260 1 1192 . 1 . 1 118 118 GLN HG2 H 1 2.367 0 . . . . . . A 118 GLN HG2 . 34260 1 1193 . 1 . 1 118 118 GLN HG3 H 1 2.367 0 . . . . . . A 118 GLN HG3 . 34260 1 1194 . 1 . 1 118 118 GLN HE21 H 1 7.122 0.002 . . . . . . A 118 GLN HE21 . 34260 1 1195 . 1 . 1 118 118 GLN HE22 H 1 6.654 0 . . . . . . A 118 GLN HE22 . 34260 1 1196 . 1 . 1 118 118 GLN CA C 13 57.254 0.058 . . . . . . A 118 GLN CA . 34260 1 1197 . 1 . 1 118 118 GLN CB C 13 25.517 0.107 . . . . . . A 118 GLN CB . 34260 1 1198 . 1 . 1 118 118 GLN CG C 13 30.745 0.212 . . . . . . A 118 GLN CG . 34260 1 1199 . 1 . 1 118 118 GLN N N 15 117.545 0.066 . . . . . . A 118 GLN N . 34260 1 1200 . 1 . 1 118 118 GLN NE2 N 15 112.409 0.008 . . . . . . A 118 GLN NE2 . 34260 1 1201 . 1 . 1 119 119 ASP H H 1 7.978 0.01 . . . . . . A 119 ASP H . 34260 1 1202 . 1 . 1 119 119 ASP HA H 1 4.304 0.015 . . . . . . A 119 ASP HA . 34260 1 1203 . 1 . 1 119 119 ASP HB2 H 1 2.603 0.006 . . . . . . A 119 ASP HB2 . 34260 1 1204 . 1 . 1 119 119 ASP HB3 H 1 2.603 0.006 . . . . . . A 119 ASP HB3 . 34260 1 1205 . 1 . 1 119 119 ASP CA C 13 54.484 0.219 . . . . . . A 119 ASP CA . 34260 1 1206 . 1 . 1 119 119 ASP CB C 13 38.546 0.063 . . . . . . A 119 ASP CB . 34260 1 1207 . 1 . 1 119 119 ASP N N 15 119.277 0.046 . . . . . . A 119 ASP N . 34260 1 1208 . 1 . 1 120 120 HIS H H 1 8.699 0.01 . . . . . . A 120 HIS H . 34260 1 1209 . 1 . 1 120 120 HIS HA H 1 4.341 0.009 . . . . . . A 120 HIS HA . 34260 1 1210 . 1 . 1 120 120 HIS HB2 H 1 3.245 0.028 . . . . . . A 120 HIS HB2 . 34260 1 1211 . 1 . 1 120 120 HIS HB3 H 1 2.775 0.01 . . . . . . A 120 HIS HB3 . 34260 1 1212 . 1 . 1 120 120 HIS HD2 H 1 7.185 0 . . . . . . A 120 HIS HD2 . 34260 1 1213 . 1 . 1 120 120 HIS HE1 H 1 8.147 0 . . . . . . A 120 HIS HE1 . 34260 1 1214 . 1 . 1 120 120 HIS CA C 13 55.726 0.11 . . . . . . A 120 HIS CA . 34260 1 1215 . 1 . 1 120 120 HIS CB C 13 27.826 0.148 . . . . . . A 120 HIS CB . 34260 1 1216 . 1 . 1 120 120 HIS CD2 C 13 118.438 0 . . . . . . A 120 HIS CD2 . 34260 1 1217 . 1 . 1 120 120 HIS CE1 C 13 133.273 0 . . . . . . A 120 HIS CE1 . 34260 1 1218 . 1 . 1 120 120 HIS N N 15 119.096 0.046 . . . . . . A 120 HIS N . 34260 1 1219 . 1 . 1 121 121 LYS H H 1 8.974 0.008 . . . . . . A 121 LYS H . 34260 1 1220 . 1 . 1 121 121 LYS HA H 1 3.773 0.013 . . . . . . A 121 LYS HA . 34260 1 1221 . 1 . 1 121 121 LYS HB2 H 1 2.057 0.012 . . . . . . A 121 LYS HB2 . 34260 1 1222 . 1 . 1 121 121 LYS HB3 H 1 1.846 0.013 . . . . . . A 121 LYS HB3 . 34260 1 1223 . 1 . 1 121 121 LYS HG2 H 1 1.552 0 . . . . . . A 121 LYS HG2 . 34260 1 1224 . 1 . 1 121 121 LYS HG3 H 1 1.359 0 . . . . . . A 121 LYS HG3 . 34260 1 1225 . 1 . 1 121 121 LYS HD2 H 1 1.637 0 . . . . . . A 121 LYS HD2 . 34260 1 1226 . 1 . 1 121 121 LYS HD3 H 1 1.512 0 . . . . . . A 121 LYS HD3 . 34260 1 1227 . 1 . 1 121 121 LYS CA C 13 59.426 0.188 . . . . . . A 121 LYS CA . 34260 1 1228 . 1 . 1 121 121 LYS CB C 13 30.678 0.166 . . . . . . A 121 LYS CB . 34260 1 1229 . 1 . 1 121 121 LYS CG C 13 24.236 0.032 . . . . . . A 121 LYS CG . 34260 1 1230 . 1 . 1 121 121 LYS CD C 13 27.68 0.121 . . . . . . A 121 LYS CD . 34260 1 1231 . 1 . 1 121 121 LYS CE C 13 37.573 0 . . . . . . A 121 LYS CE . 34260 1 1232 . 1 . 1 121 121 LYS N N 15 120.845 0.044 . . . . . . A 121 LYS N . 34260 1 1233 . 1 . 1 122 122 GLU H H 1 7.621 0.008 . . . . . . A 122 GLU H . 34260 1 1234 . 1 . 1 122 122 GLU HA H 1 4.078 0.01 . . . . . . A 122 GLU HA . 34260 1 1235 . 1 . 1 122 122 GLU HB2 H 1 2.123 0.003 . . . . . . A 122 GLU HB2 . 34260 1 1236 . 1 . 1 122 122 GLU HB3 H 1 2.022 0.018 . . . . . . A 122 GLU HB3 . 34260 1 1237 . 1 . 1 122 122 GLU HG2 H 1 2.291 0 . . . . . . A 122 GLU HG2 . 34260 1 1238 . 1 . 1 122 122 GLU HG3 H 1 2.291 0 . . . . . . A 122 GLU HG3 . 34260 1 1239 . 1 . 1 122 122 GLU CA C 13 55.851 0.129 . . . . . . A 122 GLU CA . 34260 1 1240 . 1 . 1 122 122 GLU CB C 13 26.338 0.136 . . . . . . A 122 GLU CB . 34260 1 1241 . 1 . 1 122 122 GLU CG C 13 32.977 0.002 . . . . . . A 122 GLU CG . 34260 1 1242 . 1 . 1 122 122 GLU N N 15 117.798 0.104 . . . . . . A 122 GLU N . 34260 1 1243 . 1 . 1 123 123 LYS H H 1 7.532 0.012 . . . . . . A 123 LYS H . 34260 1 1244 . 1 . 1 123 123 LYS HA H 1 3.953 0.01 . . . . . . A 123 LYS HA . 34260 1 1245 . 1 . 1 123 123 LYS HB2 H 1 1.931 0.036 . . . . . . A 123 LYS HB2 . 34260 1 1246 . 1 . 1 123 123 LYS HB3 H 1 1.931 0.036 . . . . . . A 123 LYS HB3 . 34260 1 1247 . 1 . 1 123 123 LYS HE2 H 1 2.917 0 . . . . . . A 123 LYS HE2 . 34260 1 1248 . 1 . 1 123 123 LYS HE3 H 1 2.917 0 . . . . . . A 123 LYS HE3 . 34260 1 1249 . 1 . 1 123 123 LYS CA C 13 56.668 0.125 . . . . . . A 123 LYS CA . 34260 1 1250 . 1 . 1 123 123 LYS CB C 13 29.983 0.186 . . . . . . A 123 LYS CB . 34260 1 1251 . 1 . 1 123 123 LYS CG C 13 24.058 0.086 . . . . . . A 123 LYS CG . 34260 1 1252 . 1 . 1 123 123 LYS CE C 13 39.649 0 . . . . . . A 123 LYS CE . 34260 1 1253 . 1 . 1 123 123 LYS N N 15 119.219 0.087 . . . . . . A 123 LYS N . 34260 1 1254 . 1 . 1 124 124 ILE H H 1 8.373 0.014 . . . . . . A 124 ILE H . 34260 1 1255 . 1 . 1 124 124 ILE HA H 1 3.237 0.007 . . . . . . A 124 ILE HA . 34260 1 1256 . 1 . 1 124 124 ILE HB H 1 1.934 0.013 . . . . . . A 124 ILE HB . 34260 1 1257 . 1 . 1 124 124 ILE HG12 H 1 1.956 0 . . . . . . A 124 ILE HG12 . 34260 1 1258 . 1 . 1 124 124 ILE HG13 H 1 0.299 0 . . . . . . A 124 ILE HG13 . 34260 1 1259 . 1 . 1 124 124 ILE HG21 H 1 0.62 0.006 . . . . . . A 124 ILE HG21 . 34260 1 1260 . 1 . 1 124 124 ILE HG22 H 1 0.62 0.006 . . . . . . A 124 ILE HG22 . 34260 1 1261 . 1 . 1 124 124 ILE HG23 H 1 0.62 0.006 . . . . . . A 124 ILE HG23 . 34260 1 1262 . 1 . 1 124 124 ILE HD11 H 1 0.487 0.004 . . . . . . A 124 ILE HD11 . 34260 1 1263 . 1 . 1 124 124 ILE HD12 H 1 0.487 0.004 . . . . . . A 124 ILE HD12 . 34260 1 1264 . 1 . 1 124 124 ILE HD13 H 1 0.487 0.004 . . . . . . A 124 ILE HD13 . 34260 1 1265 . 1 . 1 124 124 ILE CA C 13 63.403 0.122 . . . . . . A 124 ILE CA . 34260 1 1266 . 1 . 1 124 124 ILE CB C 13 34.556 0.05 . . . . . . A 124 ILE CB . 34260 1 1267 . 1 . 1 124 124 ILE CG1 C 13 27.959 0.006 . . . . . . A 124 ILE CG1 . 34260 1 1268 . 1 . 1 124 124 ILE CG2 C 13 15.146 0.133 . . . . . . A 124 ILE CG2 . 34260 1 1269 . 1 . 1 124 124 ILE CD1 C 13 11.424 0.128 . . . . . . A 124 ILE CD1 . 34260 1 1270 . 1 . 1 124 124 ILE N N 15 123.061 0.087 . . . . . . A 124 ILE N . 34260 1 1271 . 1 . 1 125 125 ARG H H 1 7.969 0.009 . . . . . . A 125 ARG H . 34260 1 1272 . 1 . 1 125 125 ARG HA H 1 3.116 0.006 . . . . . . A 125 ARG HA . 34260 1 1273 . 1 . 1 125 125 ARG HB2 H 1 1.733 0 . . . . . . A 125 ARG HB2 . 34260 1 1274 . 1 . 1 125 125 ARG HB3 H 1 0.921 0.026 . . . . . . A 125 ARG HB3 . 34260 1 1275 . 1 . 1 125 125 ARG HG2 H 1 0.865 0.015 . . . . . . A 125 ARG HG2 . 34260 1 1276 . 1 . 1 125 125 ARG HG3 H 1 0.477 0 . . . . . . A 125 ARG HG3 . 34260 1 1277 . 1 . 1 125 125 ARG HD2 H 1 2.761 0 . . . . . . A 125 ARG HD2 . 34260 1 1278 . 1 . 1 125 125 ARG HD3 H 1 2.511 0 . . . . . . A 125 ARG HD3 . 34260 1 1279 . 1 . 1 125 125 ARG CA C 13 57.949 0.093 . . . . . . A 125 ARG CA . 34260 1 1280 . 1 . 1 125 125 ARG CB C 13 26.515 0.057 . . . . . . A 125 ARG CB . 34260 1 1281 . 1 . 1 125 125 ARG CG C 13 24.142 0.022 . . . . . . A 125 ARG CG . 34260 1 1282 . 1 . 1 125 125 ARG CD C 13 40.29 0.034 . . . . . . A 125 ARG CD . 34260 1 1283 . 1 . 1 125 125 ARG N N 15 122.214 0.046 . . . . . . A 125 ARG N . 34260 1 1284 . 1 . 1 126 126 MET H H 1 7.403 0.007 . . . . . . A 126 MET H . 34260 1 1285 . 1 . 1 126 126 MET HA H 1 3.961 0.005 . . . . . . A 126 MET HA . 34260 1 1286 . 1 . 1 126 126 MET HB2 H 1 1.944 0.009 . . . . . . A 126 MET HB2 . 34260 1 1287 . 1 . 1 126 126 MET HB3 H 1 1.944 0.009 . . . . . . A 126 MET HB3 . 34260 1 1288 . 1 . 1 126 126 MET HG2 H 1 2.602 0.001 . . . . . . A 126 MET HG2 . 34260 1 1289 . 1 . 1 126 126 MET HG3 H 1 2.423 0.004 . . . . . . A 126 MET HG3 . 34260 1 1290 . 1 . 1 126 126 MET HE1 H 1 1.955 0 . . . . . . A 126 MET HE1 . 34260 1 1291 . 1 . 1 126 126 MET HE2 H 1 1.955 0 . . . . . . A 126 MET HE2 . 34260 1 1292 . 1 . 1 126 126 MET HE3 H 1 1.955 0 . . . . . . A 126 MET HE3 . 34260 1 1293 . 1 . 1 126 126 MET CA C 13 55.623 0.054 . . . . . . A 126 MET CA . 34260 1 1294 . 1 . 1 126 126 MET CB C 13 29.94 0.109 . . . . . . A 126 MET CB . 34260 1 1295 . 1 . 1 126 126 MET CG C 13 29.543 0.167 . . . . . . A 126 MET CG . 34260 1 1296 . 1 . 1 126 126 MET CE C 13 14.75 0 . . . . . . A 126 MET CE . 34260 1 1297 . 1 . 1 126 126 MET N N 15 115.66 0.102 . . . . . . A 126 MET N . 34260 1 1298 . 1 . 1 127 127 LEU H H 1 7.568 0.009 . . . . . . A 127 LEU H . 34260 1 1299 . 1 . 1 127 127 LEU HA H 1 3.528 0.009 . . . . . . A 127 LEU HA . 34260 1 1300 . 1 . 1 127 127 LEU HB2 H 1 1.256 0.014 . . . . . . A 127 LEU HB2 . 34260 1 1301 . 1 . 1 127 127 LEU HB3 H 1 1.256 0.014 . . . . . . A 127 LEU HB3 . 34260 1 1302 . 1 . 1 127 127 LEU HG H 1 0.17 0.013 . . . . . . A 127 LEU HG . 34260 1 1303 . 1 . 1 127 127 LEU HD11 H 1 0.504 0.006 . . . . . . A 127 LEU HD11 . 34260 1 1304 . 1 . 1 127 127 LEU HD12 H 1 0.504 0.006 . . . . . . A 127 LEU HD12 . 34260 1 1305 . 1 . 1 127 127 LEU HD13 H 1 0.504 0.006 . . . . . . A 127 LEU HD13 . 34260 1 1306 . 1 . 1 127 127 LEU HD21 H 1 0.343 0.005 . . . . . . A 127 LEU HD21 . 34260 1 1307 . 1 . 1 127 127 LEU HD22 H 1 0.343 0.005 . . . . . . A 127 LEU HD22 . 34260 1 1308 . 1 . 1 127 127 LEU HD23 H 1 0.343 0.005 . . . . . . A 127 LEU HD23 . 34260 1 1309 . 1 . 1 127 127 LEU CA C 13 54.679 0.095 . . . . . . A 127 LEU CA . 34260 1 1310 . 1 . 1 127 127 LEU CB C 13 39.007 0.123 . . . . . . A 127 LEU CB . 34260 1 1311 . 1 . 1 127 127 LEU CG C 13 23.01 0.122 . . . . . . A 127 LEU CG . 34260 1 1312 . 1 . 1 127 127 LEU CD1 C 13 20.897 0.106 . . . . . . A 127 LEU CD1 . 34260 1 1313 . 1 . 1 127 127 LEU CD2 C 13 23.583 0.097 . . . . . . A 127 LEU CD2 . 34260 1 1314 . 1 . 1 127 127 LEU N N 15 122.914 0.031 . . . . . . A 127 LEU N . 34260 1 1315 . 1 . 1 128 128 LEU H H 1 7.871 0.004 . . . . . . A 128 LEU H . 34260 1 1316 . 1 . 1 128 128 LEU HA H 1 3.69 0.008 . . . . . . A 128 LEU HA . 34260 1 1317 . 1 . 1 128 128 LEU HB2 H 1 1.889 0.007 . . . . . . A 128 LEU HB2 . 34260 1 1318 . 1 . 1 128 128 LEU HB3 H 1 1.283 0.007 . . . . . . A 128 LEU HB3 . 34260 1 1319 . 1 . 1 128 128 LEU HG H 1 1.895 0 . . . . . . A 128 LEU HG . 34260 1 1320 . 1 . 1 128 128 LEU HD11 H 1 0.858 0.007 . . . . . . A 128 LEU HD11 . 34260 1 1321 . 1 . 1 128 128 LEU HD12 H 1 0.858 0.007 . . . . . . A 128 LEU HD12 . 34260 1 1322 . 1 . 1 128 128 LEU HD13 H 1 0.858 0.007 . . . . . . A 128 LEU HD13 . 34260 1 1323 . 1 . 1 128 128 LEU HD21 H 1 0.841 0.003 . . . . . . A 128 LEU HD21 . 34260 1 1324 . 1 . 1 128 128 LEU HD22 H 1 0.841 0.003 . . . . . . A 128 LEU HD22 . 34260 1 1325 . 1 . 1 128 128 LEU HD23 H 1 0.841 0.003 . . . . . . A 128 LEU HD23 . 34260 1 1326 . 1 . 1 128 128 LEU CA C 13 55.603 0.054 . . . . . . A 128 LEU CA . 34260 1 1327 . 1 . 1 128 128 LEU CB C 13 38.502 0.148 . . . . . . A 128 LEU CB . 34260 1 1328 . 1 . 1 128 128 LEU CG C 13 23.925 0.029 . . . . . . A 128 LEU CG . 34260 1 1329 . 1 . 1 128 128 LEU CD1 C 13 24.078 0.057 . . . . . . A 128 LEU CD1 . 34260 1 1330 . 1 . 1 128 128 LEU CD2 C 13 21.939 0.027 . . . . . . A 128 LEU CD2 . 34260 1 1331 . 1 . 1 129 129 ASP H H 1 7.002 0.009 . . . . . . A 129 ASP H . 34260 1 1332 . 1 . 1 129 129 ASP HA H 1 4.255 0.023 . . . . . . A 129 ASP HA . 34260 1 1333 . 1 . 1 129 129 ASP HB2 H 1 2.735 0.009 . . . . . . A 129 ASP HB2 . 34260 1 1334 . 1 . 1 129 129 ASP HB3 H 1 2.592 0.01 . . . . . . A 129 ASP HB3 . 34260 1 1335 . 1 . 1 129 129 ASP CA C 13 55.04 0.144 . . . . . . A 129 ASP CA . 34260 1 1336 . 1 . 1 129 129 ASP CB C 13 37.496 0.096 . . . . . . A 129 ASP CB . 34260 1 1337 . 1 . 1 129 129 ASP N N 15 117.024 0.042 . . . . . . A 129 ASP N . 34260 1 1338 . 1 . 1 130 130 ILE H H 1 7.449 0.014 . . . . . . A 130 ILE H . 34260 1 1339 . 1 . 1 130 130 ILE HA H 1 3.619 0.016 . . . . . . A 130 ILE HA . 34260 1 1340 . 1 . 1 130 130 ILE HB H 1 2.011 0.011 . . . . . . A 130 ILE HB . 34260 1 1341 . 1 . 1 130 130 ILE HG12 H 1 1.118 0.007 . . . . . . A 130 ILE HG12 . 34260 1 1342 . 1 . 1 130 130 ILE HG13 H 1 1.421 0.002 . . . . . . A 130 ILE HG13 . 34260 1 1343 . 1 . 1 130 130 ILE HG21 H 1 0.76 0.009 . . . . . . A 130 ILE HG21 . 34260 1 1344 . 1 . 1 130 130 ILE HG22 H 1 0.76 0.009 . . . . . . A 130 ILE HG22 . 34260 1 1345 . 1 . 1 130 130 ILE HG23 H 1 0.76 0.009 . . . . . . A 130 ILE HG23 . 34260 1 1346 . 1 . 1 130 130 ILE HD11 H 1 0.544 0.008 . . . . . . A 130 ILE HD11 . 34260 1 1347 . 1 . 1 130 130 ILE HD12 H 1 0.544 0.008 . . . . . . A 130 ILE HD12 . 34260 1 1348 . 1 . 1 130 130 ILE HD13 H 1 0.544 0.008 . . . . . . A 130 ILE HD13 . 34260 1 1349 . 1 . 1 130 130 ILE CA C 13 61.327 0.148 . . . . . . A 130 ILE CA . 34260 1 1350 . 1 . 1 130 130 ILE CB C 13 34.106 0.092 . . . . . . A 130 ILE CB . 34260 1 1351 . 1 . 1 130 130 ILE CG1 C 13 25.867 0.141 . . . . . . A 130 ILE CG1 . 34260 1 1352 . 1 . 1 130 130 ILE CG2 C 13 13.874 0.111 . . . . . . A 130 ILE CG2 . 34260 1 1353 . 1 . 1 130 130 ILE CD1 C 13 9.323 0.166 . . . . . . A 130 ILE CD1 . 34260 1 1354 . 1 . 1 130 130 ILE N N 15 121.927 0.035 . . . . . . A 130 ILE N . 34260 1 1355 . 1 . 1 131 131 TRP H H 1 8.831 0.006 . . . . . . A 131 TRP H . 34260 1 1356 . 1 . 1 131 131 TRP HA H 1 3.699 0.003 . . . . . . A 131 TRP HA . 34260 1 1357 . 1 . 1 131 131 TRP HD1 H 1 6.556 0 . . . . . . A 131 TRP HD1 . 34260 1 1358 . 1 . 1 131 131 TRP HE1 H 1 12.267 0.019 . . . . . . A 131 TRP HE1 . 34260 1 1359 . 1 . 1 131 131 TRP HE3 H 1 7.441 0 . . . . . . A 131 TRP HE3 . 34260 1 1360 . 1 . 1 131 131 TRP HZ2 H 1 7.403 0.012 . . . . . . A 131 TRP HZ2 . 34260 1 1361 . 1 . 1 131 131 TRP HH2 H 1 6.954 0 . . . . . . A 131 TRP HH2 . 34260 1 1362 . 1 . 1 131 131 TRP CA C 13 55.847 0.033 . . . . . . A 131 TRP CA . 34260 1 1363 . 1 . 1 131 131 TRP CD1 C 13 121.701 0 . . . . . . A 131 TRP CD1 . 34260 1 1364 . 1 . 1 131 131 TRP CE3 C 13 116.91 0 . . . . . . A 131 TRP CE3 . 34260 1 1365 . 1 . 1 131 131 TRP CZ2 C 13 111.54 0 . . . . . . A 131 TRP CZ2 . 34260 1 1366 . 1 . 1 131 131 TRP CH2 C 13 120.537 0 . . . . . . A 131 TRP CH2 . 34260 1 1367 . 1 . 1 131 131 TRP N N 15 125.4 0.085 . . . . . . A 131 TRP N . 34260 1 1368 . 1 . 1 131 131 TRP NE1 N 15 133.613 0.034 . . . . . . A 131 TRP NE1 . 34260 1 1369 . 1 . 1 132 132 ASP H H 1 7.497 0.026 . . . . . . A 132 ASP H . 34260 1 1370 . 1 . 1 132 132 ASP N N 15 109.278 0.022 . . . . . . A 132 ASP N . 34260 1 1371 . 1 . 1 133 133 ARG H H 1 8.195 0.005 . . . . . . A 133 ARG H . 34260 1 1372 . 1 . 1 133 133 ARG HA H 1 3.887 0.006 . . . . . . A 133 ARG HA . 34260 1 1373 . 1 . 1 133 133 ARG HB2 H 1 1.764 0.005 . . . . . . A 133 ARG HB2 . 34260 1 1374 . 1 . 1 133 133 ARG HB3 H 1 1.764 0.005 . . . . . . A 133 ARG HB3 . 34260 1 1375 . 1 . 1 133 133 ARG HG2 H 1 1.716 0.007 . . . . . . A 133 ARG HG2 . 34260 1 1376 . 1 . 1 133 133 ARG HG3 H 1 1.57 0.008 . . . . . . A 133 ARG HG3 . 34260 1 1377 . 1 . 1 133 133 ARG HD2 H 1 3.034 0.006 . . . . . . A 133 ARG HD2 . 34260 1 1378 . 1 . 1 133 133 ARG HD3 H 1 3.034 0.006 . . . . . . A 133 ARG HD3 . 34260 1 1379 . 1 . 1 133 133 ARG HE H 1 7.315 0.003 . . . . . . A 133 ARG HE . 34260 1 1380 . 1 . 1 133 133 ARG CA C 13 56.712 0.079 . . . . . . A 133 ARG CA . 34260 1 1381 . 1 . 1 133 133 ARG CB C 13 27.91 0.062 . . . . . . A 133 ARG CB . 34260 1 1382 . 1 . 1 133 133 ARG CG C 13 25.194 0.136 . . . . . . A 133 ARG CG . 34260 1 1383 . 1 . 1 133 133 ARG CD C 13 40.877 0.085 . . . . . . A 133 ARG CD . 34260 1 1384 . 1 . 1 133 133 ARG N N 15 117.502 0.032 . . . . . . A 133 ARG N . 34260 1 1385 . 1 . 1 133 133 ARG NE N 15 84.273 0.01 . . . . . . A 133 ARG NE . 34260 1 1386 . 1 . 1 134 134 SER H H 1 8.268 0.032 . . . . . . A 134 SER H . 34260 1 1387 . 1 . 1 134 134 SER HA H 1 4.177 0 . . . . . . A 134 SER HA . 34260 1 1388 . 1 . 1 134 134 SER HB3 H 1 3.766 0 . . . . . . A 134 SER HB3 . 34260 1 1389 . 1 . 1 134 134 SER CA C 13 58.524 0 . . . . . . A 134 SER CA . 34260 1 1390 . 1 . 1 134 134 SER CB C 13 61.791 0 . . . . . . A 134 SER CB . 34260 1 1391 . 1 . 1 134 134 SER N N 15 110.361 0.007 . . . . . . A 134 SER N . 34260 1 1392 . 1 . 1 136 136 LEU HA H 1 4.221 0.009 . . . . . . A 136 LEU HA . 34260 1 1393 . 1 . 1 136 136 LEU HG H 1 0.079 0 . . . . . . A 136 LEU HG . 34260 1 1394 . 1 . 1 136 136 LEU HD11 H 1 -0.508 0.013 . . . . . . A 136 LEU HD11 . 34260 1 1395 . 1 . 1 136 136 LEU HD12 H 1 -0.508 0.013 . . . . . . A 136 LEU HD12 . 34260 1 1396 . 1 . 1 136 136 LEU HD13 H 1 -0.508 0.013 . . . . . . A 136 LEU HD13 . 34260 1 1397 . 1 . 1 136 136 LEU HD21 H 1 -0.504 0.014 . . . . . . A 136 LEU HD21 . 34260 1 1398 . 1 . 1 136 136 LEU HD22 H 1 -0.504 0.014 . . . . . . A 136 LEU HD22 . 34260 1 1399 . 1 . 1 136 136 LEU HD23 H 1 -0.504 0.014 . . . . . . A 136 LEU HD23 . 34260 1 1400 . 1 . 1 136 136 LEU CA C 13 53.421 0.098 . . . . . . A 136 LEU CA . 34260 1 1401 . 1 . 1 136 136 LEU CG C 13 20.999 0.004 . . . . . . A 136 LEU CG . 34260 1 1402 . 1 . 1 136 136 LEU CD1 C 13 23.504 0.064 . . . . . . A 136 LEU CD1 . 34260 1 1403 . 1 . 1 136 136 LEU CD2 C 13 23.568 0 . . . . . . A 136 LEU CD2 . 34260 1 1404 . 1 . 1 137 137 PHE H H 1 8.581 0 . . . . . . A 137 PHE H . 34260 1 1405 . 1 . 1 137 137 PHE HZ H 1 6.172 0 . . . . . . A 137 PHE HZ . 34260 1 1406 . 1 . 1 137 137 PHE CA C 13 57.402 0 . . . . . . A 137 PHE CA . 34260 1 1407 . 1 . 1 137 137 PHE CZ C 13 124.573 0 . . . . . . A 137 PHE CZ . 34260 1 1408 . 1 . 1 137 137 PHE N N 15 121.99 0 . . . . . . A 137 PHE N . 34260 1 1409 . 1 . 1 138 138 GLN H H 1 8.596 0.008 . . . . . . A 138 GLN H . 34260 1 1410 . 1 . 1 138 138 GLN HA H 1 3.822 0.015 . . . . . . A 138 GLN HA . 34260 1 1411 . 1 . 1 138 138 GLN HB2 H 1 1.523 0 . . . . . . A 138 GLN HB2 . 34260 1 1412 . 1 . 1 138 138 GLN HB3 H 1 1.523 0 . . . . . . A 138 GLN HB3 . 34260 1 1413 . 1 . 1 138 138 GLN HG2 H 1 2.026 0.008 . . . . . . A 138 GLN HG2 . 34260 1 1414 . 1 . 1 138 138 GLN HG3 H 1 2.026 0.008 . . . . . . A 138 GLN HG3 . 34260 1 1415 . 1 . 1 138 138 GLN CA C 13 53.978 0.035 . . . . . . A 138 GLN CA . 34260 1 1416 . 1 . 1 138 138 GLN CB C 13 25.795 0 . . . . . . A 138 GLN CB . 34260 1 1417 . 1 . 1 138 138 GLN CG C 13 31.348 0.074 . . . . . . A 138 GLN CG . 34260 1 1418 . 1 . 1 138 138 GLN N N 15 125.443 0.029 . . . . . . A 138 GLN N . 34260 1 1419 . 1 . 1 140 140 SER HA H 1 3.822 0.004 . . . . . . A 140 SER HA . 34260 1 1420 . 1 . 1 140 140 SER CA C 13 58.82 0.128 . . . . . . A 140 SER CA . 34260 1 1421 . 1 . 1 141 141 TYR H H 1 7.046 0.007 . . . . . . A 141 TYR H . 34260 1 1422 . 1 . 1 141 141 TYR HA H 1 4.434 0 . . . . . . A 141 TYR HA . 34260 1 1423 . 1 . 1 141 141 TYR HB2 H 1 3.305 0 . . . . . . A 141 TYR HB2 . 34260 1 1424 . 1 . 1 141 141 TYR HB3 H 1 2.673 0 . . . . . . A 141 TYR HB3 . 34260 1 1425 . 1 . 1 141 141 TYR HD1 H 1 6.762 0 . . . . . . A 141 TYR HD1 . 34260 1 1426 . 1 . 1 141 141 TYR HD2 H 1 6.762 0 . . . . . . A 141 TYR HD2 . 34260 1 1427 . 1 . 1 141 141 TYR HE1 H 1 6.41 0 . . . . . . A 141 TYR HE1 . 34260 1 1428 . 1 . 1 141 141 TYR HE2 H 1 6.41 0 . . . . . . A 141 TYR HE2 . 34260 1 1429 . 1 . 1 141 141 TYR CD1 C 13 129.274 0 . . . . . . A 141 TYR CD1 . 34260 1 1430 . 1 . 1 141 141 TYR CE1 C 13 118.034 0 . . . . . . A 141 TYR CE1 . 34260 1 1431 . 1 . 1 141 141 TYR N N 15 123.037 0.02 . . . . . . A 141 TYR N . 34260 1 1432 . 1 . 1 142 142 LEU H H 1 7.306 0 . . . . . . A 142 LEU H . 34260 1 1433 . 1 . 1 142 142 LEU N N 15 116.908 0 . . . . . . A 142 LEU N . 34260 1 1434 . 1 . 1 144 144 ALA H H 1 7.664 0.025 . . . . . . A 144 ALA H . 34260 1 1435 . 1 . 1 144 144 ALA HA H 1 4.107 0.015 . . . . . . A 144 ALA HA . 34260 1 1436 . 1 . 1 144 144 ALA HB1 H 1 1.471 0.008 . . . . . . A 144 ALA HB1 . 34260 1 1437 . 1 . 1 144 144 ALA HB2 H 1 1.471 0.008 . . . . . . A 144 ALA HB2 . 34260 1 1438 . 1 . 1 144 144 ALA HB3 H 1 1.471 0.008 . . . . . . A 144 ALA HB3 . 34260 1 1439 . 1 . 1 144 144 ALA CA C 13 52.553 0.041 . . . . . . A 144 ALA CA . 34260 1 1440 . 1 . 1 144 144 ALA CB C 13 15.055 0.102 . . . . . . A 144 ALA CB . 34260 1 1441 . 1 . 1 144 144 ALA N N 15 124.113 0 . . . . . . A 144 ALA N . 34260 1 1442 . 1 . 1 145 145 ILE H H 1 7.172 0.004 . . . . . . A 145 ILE H . 34260 1 1443 . 1 . 1 145 145 ILE HA H 1 3.836 0.022 . . . . . . A 145 ILE HA . 34260 1 1444 . 1 . 1 145 145 ILE HB H 1 2.256 0.008 . . . . . . A 145 ILE HB . 34260 1 1445 . 1 . 1 145 145 ILE HG12 H 1 1.887 0 . . . . . . A 145 ILE HG12 . 34260 1 1446 . 1 . 1 145 145 ILE HG13 H 1 1.331 0 . . . . . . A 145 ILE HG13 . 34260 1 1447 . 1 . 1 145 145 ILE HG21 H 1 0.737 0 . . . . . . A 145 ILE HG21 . 34260 1 1448 . 1 . 1 145 145 ILE HG22 H 1 0.737 0 . . . . . . A 145 ILE HG22 . 34260 1 1449 . 1 . 1 145 145 ILE HG23 H 1 0.737 0 . . . . . . A 145 ILE HG23 . 34260 1 1450 . 1 . 1 145 145 ILE HD11 H 1 0.747 0.018 . . . . . . A 145 ILE HD11 . 34260 1 1451 . 1 . 1 145 145 ILE HD12 H 1 0.747 0.018 . . . . . . A 145 ILE HD12 . 34260 1 1452 . 1 . 1 145 145 ILE HD13 H 1 0.747 0.018 . . . . . . A 145 ILE HD13 . 34260 1 1453 . 1 . 1 145 145 ILE CA C 13 58.188 0.143 . . . . . . A 145 ILE CA . 34260 1 1454 . 1 . 1 145 145 ILE CB C 13 32.608 0.056 . . . . . . A 145 ILE CB . 34260 1 1455 . 1 . 1 145 145 ILE CG1 C 13 23.55 0.074 . . . . . . A 145 ILE CG1 . 34260 1 1456 . 1 . 1 145 145 ILE CG2 C 13 15.806 0.038 . . . . . . A 145 ILE CG2 . 34260 1 1457 . 1 . 1 145 145 ILE CD1 C 13 6.137 0.072 . . . . . . A 145 ILE CD1 . 34260 1 1458 . 1 . 1 145 145 ILE N N 15 117.489 0.03 . . . . . . A 145 ILE N . 34260 1 1459 . 1 . 1 146 146 ARG H H 1 8.478 0.01 . . . . . . A 146 ARG H . 34260 1 1460 . 1 . 1 146 146 ARG HA H 1 3.9 0.009 . . . . . . A 146 ARG HA . 34260 1 1461 . 1 . 1 146 146 ARG HB2 H 1 1.94 0.016 . . . . . . A 146 ARG HB2 . 34260 1 1462 . 1 . 1 146 146 ARG HB3 H 1 1.94 0.016 . . . . . . A 146 ARG HB3 . 34260 1 1463 . 1 . 1 146 146 ARG HG2 H 1 1.736 0 . . . . . . A 146 ARG HG2 . 34260 1 1464 . 1 . 1 146 146 ARG HG3 H 1 1.468 0 . . . . . . A 146 ARG HG3 . 34260 1 1465 . 1 . 1 146 146 ARG HD2 H 1 3.107 0 . . . . . . A 146 ARG HD2 . 34260 1 1466 . 1 . 1 146 146 ARG HD3 H 1 3.107 0 . . . . . . A 146 ARG HD3 . 34260 1 1467 . 1 . 1 146 146 ARG CA C 13 58.489 0.168 . . . . . . A 146 ARG CA . 34260 1 1468 . 1 . 1 146 146 ARG CB C 13 27.671 0.05 . . . . . . A 146 ARG CB . 34260 1 1469 . 1 . 1 146 146 ARG CG C 13 26.385 0.103 . . . . . . A 146 ARG CG . 34260 1 1470 . 1 . 1 146 146 ARG CD C 13 40.902 0 . . . . . . A 146 ARG CD . 34260 1 1471 . 1 . 1 146 146 ARG N N 15 121.069 0.131 . . . . . . A 146 ARG N . 34260 1 1472 . 1 . 1 147 147 SER H H 1 8.207 0.007 . . . . . . A 147 SER H . 34260 1 1473 . 1 . 1 147 147 SER HA H 1 4.178 0.017 . . . . . . A 147 SER HA . 34260 1 1474 . 1 . 1 147 147 SER HB2 H 1 3.833 0.006 . . . . . . A 147 SER HB2 . 34260 1 1475 . 1 . 1 147 147 SER HB3 H 1 3.833 0.006 . . . . . . A 147 SER HB3 . 34260 1 1476 . 1 . 1 147 147 SER CA C 13 58.488 0.029 . . . . . . A 147 SER CA . 34260 1 1477 . 1 . 1 147 147 SER CB C 13 60.611 0.14 . . . . . . A 147 SER CB . 34260 1 1478 . 1 . 1 147 147 SER N N 15 111.899 0.038 . . . . . . A 147 SER N . 34260 1 1479 . 1 . 1 148 148 LYS H H 1 7.81 0.054 . . . . . . A 148 LYS H . 34260 1 1480 . 1 . 1 148 148 LYS HA H 1 4.105 0.011 . . . . . . A 148 LYS HA . 34260 1 1481 . 1 . 1 148 148 LYS HB2 H 1 1.99 0 . . . . . . A 148 LYS HB2 . 34260 1 1482 . 1 . 1 148 148 LYS HB3 H 1 1.99 0 . . . . . . A 148 LYS HB3 . 34260 1 1483 . 1 . 1 148 148 LYS HG2 H 1 1.441 0 . . . . . . A 148 LYS HG2 . 34260 1 1484 . 1 . 1 148 148 LYS HG3 H 1 1.303 0 . . . . . . A 148 LYS HG3 . 34260 1 1485 . 1 . 1 148 148 LYS HD2 H 1 1.467 0 . . . . . . A 148 LYS HD2 . 34260 1 1486 . 1 . 1 148 148 LYS HD3 H 1 1.467 0 . . . . . . A 148 LYS HD3 . 34260 1 1487 . 1 . 1 148 148 LYS HE2 H 1 2.783 0 . . . . . . A 148 LYS HE2 . 34260 1 1488 . 1 . 1 148 148 LYS HE3 H 1 2.783 0 . . . . . . A 148 LYS HE3 . 34260 1 1489 . 1 . 1 148 148 LYS CA C 13 55.858 0.145 . . . . . . A 148 LYS CA . 34260 1 1490 . 1 . 1 148 148 LYS CB C 13 29.986 0 . . . . . . A 148 LYS CB . 34260 1 1491 . 1 . 1 148 148 LYS CG C 13 22.297 0.051 . . . . . . A 148 LYS CG . 34260 1 1492 . 1 . 1 148 148 LYS CD C 13 26.455 0 . . . . . . A 148 LYS CD . 34260 1 1493 . 1 . 1 148 148 LYS CE C 13 39.239 0.134 . . . . . . A 148 LYS CE . 34260 1 1494 . 1 . 1 148 148 LYS N N 15 118.657 0.104 . . . . . . A 148 LYS N . 34260 1 1495 . 1 . 1 149 149 CYS H H 1 8.283 0.015 . . . . . . A 149 CYS H . 34260 1 1496 . 1 . 1 149 149 CYS CA C 13 57.925 0.065 . . . . . . A 149 CYS CA . 34260 1 1497 . 1 . 1 149 149 CYS CB C 13 26.956 0.14 . . . . . . A 149 CYS CB . 34260 1 1498 . 1 . 1 149 149 CYS N N 15 113.309 0.033 . . . . . . A 149 CYS N . 34260 1 1499 . 1 . 1 150 150 PHE H H 1 7.433 0.048 . . . . . . A 150 PHE H . 34260 1 1500 . 1 . 1 150 150 PHE HA H 1 4.879 0.009 . . . . . . A 150 PHE HA . 34260 1 1501 . 1 . 1 150 150 PHE HB2 H 1 3.325 0.007 . . . . . . A 150 PHE HB2 . 34260 1 1502 . 1 . 1 150 150 PHE HB3 H 1 2.881 0.015 . . . . . . A 150 PHE HB3 . 34260 1 1503 . 1 . 1 150 150 PHE HD1 H 1 7.695 0 . . . . . . A 150 PHE HD1 . 34260 1 1504 . 1 . 1 150 150 PHE HD2 H 1 7.695 0 . . . . . . A 150 PHE HD2 . 34260 1 1505 . 1 . 1 150 150 PHE HE1 H 1 7.695 0 . . . . . . A 150 PHE HE1 . 34260 1 1506 . 1 . 1 150 150 PHE HE2 H 1 7.695 0 . . . . . . A 150 PHE HE2 . 34260 1 1507 . 1 . 1 150 150 PHE HZ H 1 6.195 0 . . . . . . A 150 PHE HZ . 34260 1 1508 . 1 . 1 150 150 PHE CA C 13 54.319 0.099 . . . . . . A 150 PHE CA . 34260 1 1509 . 1 . 1 150 150 PHE CB C 13 37.047 0.114 . . . . . . A 150 PHE CB . 34260 1 1510 . 1 . 1 150 150 PHE CD1 C 13 131.474 0 . . . . . . A 150 PHE CD1 . 34260 1 1511 . 1 . 1 150 150 PHE CE1 C 13 131.474 0 . . . . . . A 150 PHE CE1 . 34260 1 1512 . 1 . 1 150 150 PHE CZ C 13 130.745 0 . . . . . . A 150 PHE CZ . 34260 1 1513 . 1 . 1 150 150 PHE N N 15 116.186 0.078 . . . . . . A 150 PHE N . 34260 1 1514 . 1 . 1 151 151 ALA H H 1 7.694 0.004 . . . . . . A 151 ALA H . 34260 1 1515 . 1 . 1 151 151 ALA HA H 1 4.185 0.006 . . . . . . A 151 ALA HA . 34260 1 1516 . 1 . 1 151 151 ALA HB1 H 1 1.319 0.004 . . . . . . A 151 ALA HB1 . 34260 1 1517 . 1 . 1 151 151 ALA HB2 H 1 1.319 0.004 . . . . . . A 151 ALA HB2 . 34260 1 1518 . 1 . 1 151 151 ALA HB3 H 1 1.319 0.004 . . . . . . A 151 ALA HB3 . 34260 1 1519 . 1 . 1 151 151 ALA CA C 13 50.574 0.094 . . . . . . A 151 ALA CA . 34260 1 1520 . 1 . 1 151 151 ALA CB C 13 15.543 0.12 . . . . . . A 151 ALA CB . 34260 1 1521 . 1 . 1 151 151 ALA N N 15 122.425 0.034 . . . . . . A 151 ALA N . 34260 1 1522 . 1 . 1 152 152 MET H H 1 8.069 0.016 . . . . . . A 152 MET H . 34260 1 1523 . 1 . 1 152 152 MET HA H 1 4.26 0.014 . . . . . . A 152 MET HA . 34260 1 1524 . 1 . 1 152 152 MET HB2 H 1 1.911 0.019 . . . . . . A 152 MET HB2 . 34260 1 1525 . 1 . 1 152 152 MET HB3 H 1 1.738 0.012 . . . . . . A 152 MET HB3 . 34260 1 1526 . 1 . 1 152 152 MET HG2 H 1 2.445 0 . . . . . . A 152 MET HG2 . 34260 1 1527 . 1 . 1 152 152 MET HG3 H 1 2.378 0 . . . . . . A 152 MET HG3 . 34260 1 1528 . 1 . 1 152 152 MET HE1 H 1 1.928 0 . . . . . . A 152 MET HE1 . 34260 1 1529 . 1 . 1 152 152 MET HE2 H 1 1.928 0 . . . . . . A 152 MET HE2 . 34260 1 1530 . 1 . 1 152 152 MET HE3 H 1 1.928 0 . . . . . . A 152 MET HE3 . 34260 1 1531 . 1 . 1 152 152 MET CA C 13 53.35 0.101 . . . . . . A 152 MET CA . 34260 1 1532 . 1 . 1 152 152 MET CB C 13 30.284 0.11 . . . . . . A 152 MET CB . 34260 1 1533 . 1 . 1 152 152 MET CG C 13 29.43 0.029 . . . . . . A 152 MET CG . 34260 1 1534 . 1 . 1 152 152 MET CE C 13 14.36 0.056 . . . . . . A 152 MET CE . 34260 1 1535 . 1 . 1 152 152 MET N N 15 118.201 0.036 . . . . . . A 152 MET N . 34260 1 1536 . 1 . 1 153 153 ASP H H 1 8.32 0.012 . . . . . . A 153 ASP H . 34260 1 1537 . 1 . 1 153 153 ASP HA H 1 4.477 0.005 . . . . . . A 153 ASP HA . 34260 1 1538 . 1 . 1 153 153 ASP HB2 H 1 2.498 0 . . . . . . A 153 ASP HB2 . 34260 1 1539 . 1 . 1 153 153 ASP HB3 H 1 2.498 0 . . . . . . A 153 ASP HB3 . 34260 1 1540 . 1 . 1 153 153 ASP CA C 13 51.634 0.099 . . . . . . A 153 ASP CA . 34260 1 1541 . 1 . 1 153 153 ASP CB C 13 38.305 0.154 . . . . . . A 153 ASP CB . 34260 1 1542 . 1 . 1 153 153 ASP N N 15 121.812 0.045 . . . . . . A 153 ASP N . 34260 1 1543 . 1 . 1 154 154 LEU H H 1 8.088 0.008 . . . . . . A 154 LEU H . 34260 1 1544 . 1 . 1 154 154 LEU HA H 1 4.118 0.005 . . . . . . A 154 LEU HA . 34260 1 1545 . 1 . 1 154 154 LEU HB2 H 1 1.477 0.002 . . . . . . A 154 LEU HB2 . 34260 1 1546 . 1 . 1 154 154 LEU HB3 H 1 1.397 0.001 . . . . . . A 154 LEU HB3 . 34260 1 1547 . 1 . 1 154 154 LEU HG H 1 1.457 0.009 . . . . . . A 154 LEU HG . 34260 1 1548 . 1 . 1 154 154 LEU HD11 H 1 0.752 0.007 . . . . . . A 154 LEU HD11 . 34260 1 1549 . 1 . 1 154 154 LEU HD12 H 1 0.752 0.007 . . . . . . A 154 LEU HD12 . 34260 1 1550 . 1 . 1 154 154 LEU HD13 H 1 0.752 0.007 . . . . . . A 154 LEU HD13 . 34260 1 1551 . 1 . 1 154 154 LEU HD21 H 1 0.662 0 . . . . . . A 154 LEU HD21 . 34260 1 1552 . 1 . 1 154 154 LEU HD22 H 1 0.662 0 . . . . . . A 154 LEU HD22 . 34260 1 1553 . 1 . 1 154 154 LEU HD23 H 1 0.662 0 . . . . . . A 154 LEU HD23 . 34260 1 1554 . 1 . 1 154 154 LEU CA C 13 52.595 0.073 . . . . . . A 154 LEU CA . 34260 1 1555 . 1 . 1 154 154 LEU CB C 13 39.467 0.113 . . . . . . A 154 LEU CB . 34260 1 1556 . 1 . 1 154 154 LEU CG C 13 24.155 0.089 . . . . . . A 154 LEU CG . 34260 1 1557 . 1 . 1 154 154 LEU CD1 C 13 22.475 0.162 . . . . . . A 154 LEU CD1 . 34260 1 1558 . 1 . 1 154 154 LEU CD2 C 13 20.389 0.034 . . . . . . A 154 LEU CD2 . 34260 1 1559 . 1 . 1 154 154 LEU N N 15 122.471 0.037 . . . . . . A 154 LEU N . 34260 1 1560 . 1 . 1 155 155 GLU H H 1 8.183 0.009 . . . . . . A 155 GLU H . 34260 1 1561 . 1 . 1 155 155 GLU HA H 1 4.003 0.021 . . . . . . A 155 GLU HA . 34260 1 1562 . 1 . 1 155 155 GLU HB2 H 1 1.732 0.004 . . . . . . A 155 GLU HB2 . 34260 1 1563 . 1 . 1 155 155 GLU HB3 H 1 1.732 0.004 . . . . . . A 155 GLU HB3 . 34260 1 1564 . 1 . 1 155 155 GLU HG2 H 1 2.049 0.01 . . . . . . A 155 GLU HG2 . 34260 1 1565 . 1 . 1 155 155 GLU HG3 H 1 1.956 0.001 . . . . . . A 155 GLU HG3 . 34260 1 1566 . 1 . 1 155 155 GLU CA C 13 54.168 0.196 . . . . . . A 155 GLU CA . 34260 1 1567 . 1 . 1 155 155 GLU CB C 13 27.265 0.093 . . . . . . A 155 GLU CB . 34260 1 1568 . 1 . 1 155 155 GLU CG C 13 33.576 0.132 . . . . . . A 155 GLU CG . 34260 1 1569 . 1 . 1 155 155 GLU N N 15 120.114 0.053 . . . . . . A 155 GLU N . 34260 1 1570 . 1 . 1 156 156 HIS H H 1 8.002 0.008 . . . . . . A 156 HIS H . 34260 1 1571 . 1 . 1 156 156 HIS HA H 1 4.219 0 . . . . . . A 156 HIS HA . 34260 1 1572 . 1 . 1 156 156 HIS HB2 H 1 1.939 0 . . . . . . A 156 HIS HB2 . 34260 1 1573 . 1 . 1 156 156 HIS HB3 H 1 1.939 0 . . . . . . A 156 HIS HB3 . 34260 1 1574 . 1 . 1 156 156 HIS HD2 H 1 6.866 0 . . . . . . A 156 HIS HD2 . 34260 1 1575 . 1 . 1 156 156 HIS HE1 H 1 7.692 0 . . . . . . A 156 HIS HE1 . 34260 1 1576 . 1 . 1 156 156 HIS CA C 13 53.47 0 . . . . . . A 156 HIS CA . 34260 1 1577 . 1 . 1 156 156 HIS CB C 13 27.617 0 . . . . . . A 156 HIS CB . 34260 1 1578 . 1 . 1 156 156 HIS CD2 C 13 117.049 0 . . . . . . A 156 HIS CD2 . 34260 1 1579 . 1 . 1 156 156 HIS CE1 C 13 135.389 0 . . . . . . A 156 HIS CE1 . 34260 1 1580 . 1 . 1 156 156 HIS N N 15 119.141 0.061 . . . . . . A 156 HIS N . 34260 1 1581 . 1 . 1 157 157 HIS H H 1 8.58 0 . . . . . . A 157 HIS H . 34260 1 1582 . 1 . 1 157 157 HIS HA H 1 4.437 0 . . . . . . A 157 HIS HA . 34260 1 1583 . 1 . 1 157 157 HIS HB2 H 1 2.911 0 . . . . . . A 157 HIS HB2 . 34260 1 1584 . 1 . 1 157 157 HIS HB3 H 1 2.911 0 . . . . . . A 157 HIS HB3 . 34260 1 1585 . 1 . 1 157 157 HIS N N 15 121.999 0.006 . . . . . . A 157 HIS N . 34260 1 1586 . 1 . 1 158 158 HIS H H 1 7.866 0.003 . . . . . . A 158 HIS H . 34260 1 1587 . 1 . 1 158 158 HIS HA H 1 4.687 0 . . . . . . A 158 HIS HA . 34260 1 1588 . 1 . 1 158 158 HIS HB2 H 1 2.91 0 . . . . . . A 158 HIS HB2 . 34260 1 1589 . 1 . 1 158 158 HIS HB3 H 1 2.91 0 . . . . . . A 158 HIS HB3 . 34260 1 1590 . 1 . 1 158 158 HIS N N 15 125.599 0.009 . . . . . . A 158 HIS N . 34260 1 1591 . 1 . 1 159 159 HIS H H 1 8.318 0 . . . . . . A 159 HIS H . 34260 1 1592 . 1 . 1 159 159 HIS N N 15 121.824 0 . . . . . . A 159 HIS N . 34260 1 stop_ save_