data_34317 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34317 _Entry.Title ; Structure of human SRSF1 RRM1 bound to AACAAA RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-21 _Entry.Accession_date 2018-09-21 _Entry.Last_release_date 2019-07-22 _Entry.Original_release_date 2019-07-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34317 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 F. Allain F. T.H. . . 34317 2 A. Clery A. . . . 34317 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 34317 'RNA BINDING PROTEIN' . 34317 RRM . 34317 SMA . 34317 'SR protein' . 34317 SRSF1 . 34317 'spinal muscular atrophy' . 34317 splicing . 34317 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34317 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 213 34317 '15N chemical shifts' 74 34317 '1H chemical shifts' 557 34317 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-02-17 2018-09-21 update BMRB 'update entry citation' 34317 1 . . 2020-11-12 2018-09-21 original author 'original release' 34317 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6HPJ . 34317 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34317 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33462199 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of SRSF1 RRM1 bound to RNA reveals an unexpected bimodal mode of interaction and explains its involvement in SMN1 exon7 splicing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 428 _Citation.Page_last 428 _Citation.Year 2021 _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 Antoine Clery A. . . . 34317 1 2 Miroslav Krepl M. . . . 34317 1 3 Cristina Nguyen . . . . 34317 1 4 Ahmed Moursy A. . . . 34317 1 5 Hadi Jorjani H. . . . 34317 1 6 Maria Katsantoni M. . . . 34317 1 7 Michal Okoniewski M. . . . 34317 1 8 Nitish Mittal N. . . . 34317 1 9 Mihaela Zavolan M. . . . 34317 1 10 Jiri Sponer J. . . . 34317 1 11 'Frederic H-T' Allain F. H. . . 34317 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34317 _Assembly.ID 1 _Assembly.Name 'Immunoglobulin G-binding protein G,Serine/arginine-rich splicing factor 1/RNA Complex' _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 B yes . . . . . . 34317 1 2 entity_2 2 $entity_2 B A yes . . . . . . 34317 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34317 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSHH HHHHMSGGGVIRGPAGNNDC RIYVGNLPPDIRTKDIEDVF SKYGAIRDIDLKNRRGGPPF AFVEFEDPRDAEDAVSGRDG YDYDGYRLRVEFPRSGRGTG R ; _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 17956.693 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'GB1 tag followed by 6His tag and SRSF1 RRM1 from amino acid 1 to 97.' _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 ASF-1 common 34317 1 'Alternative-splicing factor 1' common 34317 1 'IgG-binding protein G' common 34317 1 'P33 subunit' common 34317 1 'Splicing factor' common 34317 1 'arginine/serine-rich 1' common 34317 1 'pre-mRNA-splicing factor SF2' common 34317 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34317 1 2 . GLN . 34317 1 3 . TYR . 34317 1 4 . LYS . 34317 1 5 . LEU . 34317 1 6 . ILE . 34317 1 7 . LEU . 34317 1 8 . ASN . 34317 1 9 . GLY . 34317 1 10 . LYS . 34317 1 11 . THR . 34317 1 12 . LEU . 34317 1 13 . LYS . 34317 1 14 . GLY . 34317 1 15 . GLU . 34317 1 16 . THR . 34317 1 17 . THR . 34317 1 18 . THR . 34317 1 19 . GLU . 34317 1 20 . ALA . 34317 1 21 . VAL . 34317 1 22 . ASP . 34317 1 23 . ALA . 34317 1 24 . ALA . 34317 1 25 . THR . 34317 1 26 . ALA . 34317 1 27 . GLU . 34317 1 28 . LYS . 34317 1 29 . VAL . 34317 1 30 . PHE . 34317 1 31 . LYS . 34317 1 32 . GLN . 34317 1 33 . TYR . 34317 1 34 . ALA . 34317 1 35 . ASN . 34317 1 36 . ASP . 34317 1 37 . ASN . 34317 1 38 . GLY . 34317 1 39 . VAL . 34317 1 40 . ASP . 34317 1 41 . GLY . 34317 1 42 . GLU . 34317 1 43 . TRP . 34317 1 44 . THR . 34317 1 45 . TYR . 34317 1 46 . ASP . 34317 1 47 . ASP . 34317 1 48 . ALA . 34317 1 49 . THR . 34317 1 50 . LYS . 34317 1 51 . THR . 34317 1 52 . PHE . 34317 1 53 . THR . 34317 1 54 . VAL . 34317 1 55 . THR . 34317 1 56 . GLU . 34317 1 57 . GLY . 34317 1 58 . SER . 34317 1 59 . HIS . 34317 1 60 . HIS . 34317 1 61 . HIS . 34317 1 62 . HIS . 34317 1 63 . HIS . 34317 1 64 . HIS . 34317 1 65 1 MET . 34317 1 66 2 SER . 34317 1 67 3 GLY . 34317 1 68 4 GLY . 34317 1 69 5 GLY . 34317 1 70 6 VAL . 34317 1 71 7 ILE . 34317 1 72 8 ARG . 34317 1 73 9 GLY . 34317 1 74 10 PRO . 34317 1 75 11 ALA . 34317 1 76 12 GLY . 34317 1 77 13 ASN . 34317 1 78 14 ASN . 34317 1 79 15 ASP . 34317 1 80 16 CYS . 34317 1 81 17 ARG . 34317 1 82 18 ILE . 34317 1 83 19 TYR . 34317 1 84 20 VAL . 34317 1 85 21 GLY . 34317 1 86 22 ASN . 34317 1 87 23 LEU . 34317 1 88 24 PRO . 34317 1 89 25 PRO . 34317 1 90 26 ASP . 34317 1 91 27 ILE . 34317 1 92 28 ARG . 34317 1 93 29 THR . 34317 1 94 30 LYS . 34317 1 95 31 ASP . 34317 1 96 32 ILE . 34317 1 97 33 GLU . 34317 1 98 34 ASP . 34317 1 99 35 VAL . 34317 1 100 36 PHE . 34317 1 101 37 SER . 34317 1 102 38 LYS . 34317 1 103 39 TYR . 34317 1 104 40 GLY . 34317 1 105 41 ALA . 34317 1 106 42 ILE . 34317 1 107 43 ARG . 34317 1 108 44 ASP . 34317 1 109 45 ILE . 34317 1 110 46 ASP . 34317 1 111 47 LEU . 34317 1 112 48 LYS . 34317 1 113 49 ASN . 34317 1 114 50 ARG . 34317 1 115 51 ARG . 34317 1 116 52 GLY . 34317 1 117 53 GLY . 34317 1 118 54 PRO . 34317 1 119 55 PRO . 34317 1 120 56 PHE . 34317 1 121 57 ALA . 34317 1 122 58 PHE . 34317 1 123 59 VAL . 34317 1 124 60 GLU . 34317 1 125 61 PHE . 34317 1 126 62 GLU . 34317 1 127 63 ASP . 34317 1 128 64 PRO . 34317 1 129 65 ARG . 34317 1 130 66 ASP . 34317 1 131 67 ALA . 34317 1 132 68 GLU . 34317 1 133 69 ASP . 34317 1 134 70 ALA . 34317 1 135 71 VAL . 34317 1 136 72 SER . 34317 1 137 73 GLY . 34317 1 138 74 ARG . 34317 1 139 75 ASP . 34317 1 140 76 GLY . 34317 1 141 77 TYR . 34317 1 142 78 ASP . 34317 1 143 79 TYR . 34317 1 144 80 ASP . 34317 1 145 81 GLY . 34317 1 146 82 TYR . 34317 1 147 83 ARG . 34317 1 148 84 LEU . 34317 1 149 85 ARG . 34317 1 150 86 VAL . 34317 1 151 87 GLU . 34317 1 152 88 PHE . 34317 1 153 89 PRO . 34317 1 154 90 ARG . 34317 1 155 91 SER . 34317 1 156 92 GLY . 34317 1 157 93 ARG . 34317 1 158 94 GLY . 34317 1 159 95 THR . 34317 1 160 96 GLY . 34317 1 161 97 ARG . 34317 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 34317 1 . GLN 2 2 34317 1 . TYR 3 3 34317 1 . LYS 4 4 34317 1 . LEU 5 5 34317 1 . ILE 6 6 34317 1 . LEU 7 7 34317 1 . ASN 8 8 34317 1 . GLY 9 9 34317 1 . LYS 10 10 34317 1 . THR 11 11 34317 1 . LEU 12 12 34317 1 . LYS 13 13 34317 1 . GLY 14 14 34317 1 . GLU 15 15 34317 1 . THR 16 16 34317 1 . THR 17 17 34317 1 . THR 18 18 34317 1 . GLU 19 19 34317 1 . ALA 20 20 34317 1 . VAL 21 21 34317 1 . ASP 22 22 34317 1 . ALA 23 23 34317 1 . ALA 24 24 34317 1 . THR 25 25 34317 1 . ALA 26 26 34317 1 . GLU 27 27 34317 1 . LYS 28 28 34317 1 . VAL 29 29 34317 1 . PHE 30 30 34317 1 . LYS 31 31 34317 1 . GLN 32 32 34317 1 . TYR 33 33 34317 1 . ALA 34 34 34317 1 . ASN 35 35 34317 1 . ASP 36 36 34317 1 . ASN 37 37 34317 1 . GLY 38 38 34317 1 . VAL 39 39 34317 1 . ASP 40 40 34317 1 . GLY 41 41 34317 1 . GLU 42 42 34317 1 . TRP 43 43 34317 1 . THR 44 44 34317 1 . TYR 45 45 34317 1 . ASP 46 46 34317 1 . ASP 47 47 34317 1 . ALA 48 48 34317 1 . THR 49 49 34317 1 . LYS 50 50 34317 1 . THR 51 51 34317 1 . PHE 52 52 34317 1 . THR 53 53 34317 1 . VAL 54 54 34317 1 . THR 55 55 34317 1 . GLU 56 56 34317 1 . GLY 57 57 34317 1 . SER 58 58 34317 1 . HIS 59 59 34317 1 . HIS 60 60 34317 1 . HIS 61 61 34317 1 . HIS 62 62 34317 1 . HIS 63 63 34317 1 . HIS 64 64 34317 1 . MET 65 65 34317 1 . SER 66 66 34317 1 . GLY 67 67 34317 1 . GLY 68 68 34317 1 . GLY 69 69 34317 1 . VAL 70 70 34317 1 . ILE 71 71 34317 1 . ARG 72 72 34317 1 . GLY 73 73 34317 1 . PRO 74 74 34317 1 . ALA 75 75 34317 1 . GLY 76 76 34317 1 . ASN 77 77 34317 1 . ASN 78 78 34317 1 . ASP 79 79 34317 1 . CYS 80 80 34317 1 . ARG 81 81 34317 1 . ILE 82 82 34317 1 . TYR 83 83 34317 1 . VAL 84 84 34317 1 . GLY 85 85 34317 1 . ASN 86 86 34317 1 . LEU 87 87 34317 1 . PRO 88 88 34317 1 . PRO 89 89 34317 1 . ASP 90 90 34317 1 . ILE 91 91 34317 1 . ARG 92 92 34317 1 . THR 93 93 34317 1 . LYS 94 94 34317 1 . ASP 95 95 34317 1 . ILE 96 96 34317 1 . GLU 97 97 34317 1 . ASP 98 98 34317 1 . VAL 99 99 34317 1 . PHE 100 100 34317 1 . SER 101 101 34317 1 . LYS 102 102 34317 1 . TYR 103 103 34317 1 . GLY 104 104 34317 1 . ALA 105 105 34317 1 . ILE 106 106 34317 1 . ARG 107 107 34317 1 . ASP 108 108 34317 1 . ILE 109 109 34317 1 . ASP 110 110 34317 1 . LEU 111 111 34317 1 . LYS 112 112 34317 1 . ASN 113 113 34317 1 . ARG 114 114 34317 1 . ARG 115 115 34317 1 . GLY 116 116 34317 1 . GLY 117 117 34317 1 . PRO 118 118 34317 1 . PRO 119 119 34317 1 . PHE 120 120 34317 1 . ALA 121 121 34317 1 . PHE 122 122 34317 1 . VAL 123 123 34317 1 . GLU 124 124 34317 1 . PHE 125 125 34317 1 . GLU 126 126 34317 1 . ASP 127 127 34317 1 . PRO 128 128 34317 1 . ARG 129 129 34317 1 . ASP 130 130 34317 1 . ALA 131 131 34317 1 . GLU 132 132 34317 1 . ASP 133 133 34317 1 . ALA 134 134 34317 1 . VAL 135 135 34317 1 . SER 136 136 34317 1 . GLY 137 137 34317 1 . ARG 138 138 34317 1 . ASP 139 139 34317 1 . GLY 140 140 34317 1 . TYR 141 141 34317 1 . ASP 142 142 34317 1 . TYR 143 143 34317 1 . ASP 144 144 34317 1 . GLY 145 145 34317 1 . TYR 146 146 34317 1 . ARG 147 147 34317 1 . LEU 148 148 34317 1 . ARG 149 149 34317 1 . VAL 150 150 34317 1 . GLU 151 151 34317 1 . PHE 152 152 34317 1 . PRO 153 153 34317 1 . ARG 154 154 34317 1 . SER 155 155 34317 1 . GLY 156 156 34317 1 . ARG 157 157 34317 1 . GLY 158 158 34317 1 . THR 159 159 34317 1 . GLY 160 160 34317 1 . ARG 161 161 34317 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34317 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AACAAA ; _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 6 _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 . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1906.253 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'RNA molecule' _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 90 A . 34317 2 2 91 A . 34317 2 3 92 C . 34317 2 4 93 A . 34317 2 5 94 A . 34317 2 6 95 A . 34317 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 . A 1 1 34317 2 . A 2 2 34317 2 . C 3 3 34317 2 . A 4 4 34317 2 . A 5 5 34317 2 . A 6 6 34317 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 34317 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SRSF1, ASF, SF2, SF2P33, SFRS1, OK/SW-cl.3' . 34317 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34317 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 34317 _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 . . . . . . . . . . 34317 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34317 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34317 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.5 mM [U-99% 15N] SRSF1 RRM1, 0.5 mM RNA (5'-R(*AP*AP*CP*AP*AP*A)-3'), 100% D2O" _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'SRSF1 RRM1' '[U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34317 1 2 "RNA (5'-R(*AP*AP*CP*AP*AP*A)-3')" 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 34317 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34317 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.5 mM [U-99% 15N] SRSF1 RRM1, 0.5 mM NA RNA (5'-R(*AP*AP*CP*AP*AP*A)-3'), 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 'SRSF1 RRM1' '[U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34317 2 2 "RNA (5'-R(*AP*AP*CP*AP*AP*A)-3')" 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 34317 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34317 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.5 mM [U-99% 13C; U-99% 15N] SRSF1 RRM1, 0.5 mM NA RNA (5'-R(*AP*AP*CP*AP*AP*A)-3'), 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 'SRSF1 RRM1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34317 3 2 "RNA (5'-R(*AP*AP*CP*AP*AP*A)-3')" 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 34317 3 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 34317 _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' 120 . mM 34317 1 pH 7 . pH 34317 1 pressure 1 . atm 34317 1 temperature 313 . K 34317 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34317 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _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' . . 34317 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34317 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34317 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34317 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34317 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34317 _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 . . 34317 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34317 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34317 _Software.ID 4 _Software.Type . _Software.Name CANDID _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 34317 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34317 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 34317 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '500 AVIII' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34317 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '600 AVIII' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34317 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '700 AVIII' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34317 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '900 AVIII' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34317 _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 '500 AVIII' . 500 . . . 34317 1 2 NMR_spectrometer_2 Bruker '600 AVIII' . 600 . . . 34317 1 3 NMR_spectrometer_3 Bruker '700 AVIII' . 700 . . . 34317 1 4 NMR_spectrometer_4 Bruker '900 AVIII' . 900 . . . 34317 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 34317 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 34317 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34317 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34317 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34317 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 34317 _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 water protons . . . . ppm 4.7 internal indirect . . . . . . 34317 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34317 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 34317 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 34317 _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 '2D NOESY' . . . 34317 1 2 '3D 1H-15N NOESY' . . . 34317 1 3 '2D 1H-13C HSQC aliphatic' . . . 34317 1 4 '2D 1H-13C HSQC aromatic' . . . 34317 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 71 71 ILE H H 1 8.302 0.001 . . . . . . B 7 ILE H . 34317 1 2 . 1 . 1 71 71 ILE HA H 1 4.193 0.020 . . . . . . B 7 ILE HA . 34317 1 3 . 1 . 1 71 71 ILE HB H 1 1.862 0.003 . . . . . . B 7 ILE HB . 34317 1 4 . 1 . 1 71 71 ILE HG12 H 1 1.183 0.007 . . . . . . B 7 ILE HG12 . 34317 1 5 . 1 . 1 71 71 ILE HG13 H 1 1.492 0.017 . . . . . . B 7 ILE HG13 . 34317 1 6 . 1 . 1 71 71 ILE HG21 H 1 0.882 0.007 . . . . . . B 7 ILE HG21 . 34317 1 7 . 1 . 1 71 71 ILE HG22 H 1 0.882 0.007 . . . . . . B 7 ILE HG22 . 34317 1 8 . 1 . 1 71 71 ILE HG23 H 1 0.882 0.007 . . . . . . B 7 ILE HG23 . 34317 1 9 . 1 . 1 71 71 ILE HD11 H 1 0.856 0.023 . . . . . . B 7 ILE HD11 . 34317 1 10 . 1 . 1 71 71 ILE HD12 H 1 0.856 0.023 . . . . . . B 7 ILE HD12 . 34317 1 11 . 1 . 1 71 71 ILE HD13 H 1 0.856 0.023 . . . . . . B 7 ILE HD13 . 34317 1 12 . 1 . 1 71 71 ILE CA C 13 60.904 0.003 . . . . . . B 7 ILE CA . 34317 1 13 . 1 . 1 71 71 ILE CB C 13 38.473 0.010 . . . . . . B 7 ILE CB . 34317 1 14 . 1 . 1 71 71 ILE CG1 C 13 27.346 0.008 . . . . . . B 7 ILE CG1 . 34317 1 15 . 1 . 1 71 71 ILE CG2 C 13 17.549 0.002 . . . . . . B 7 ILE CG2 . 34317 1 16 . 1 . 1 71 71 ILE CD1 C 13 12.732 0.025 . . . . . . B 7 ILE CD1 . 34317 1 17 . 1 . 1 71 71 ILE N N 15 125.689 0.067 . . . . . . B 7 ILE N . 34317 1 18 . 1 . 1 72 72 ARG H H 1 8.415 0.001 . . . . . . B 8 ARG H . 34317 1 19 . 1 . 1 72 72 ARG HA H 1 4.428 0.000 . . . . . . B 8 ARG HA . 34317 1 20 . 1 . 1 72 72 ARG HB2 H 1 1.828 0.057 . . . . . . B 8 ARG HB2 . 34317 1 21 . 1 . 1 72 72 ARG HB3 H 1 1.827 0.058 . . . . . . B 8 ARG HB3 . 34317 1 22 . 1 . 1 72 72 ARG HG2 H 1 1.694 0.000 . . . . . . B 8 ARG HG2 . 34317 1 23 . 1 . 1 72 72 ARG HG3 H 1 1.694 0.000 . . . . . . B 8 ARG HG3 . 34317 1 24 . 1 . 1 72 72 ARG HD2 H 1 3.173 0.010 . . . . . . B 8 ARG HD2 . 34317 1 25 . 1 . 1 72 72 ARG HD3 H 1 3.173 0.010 . . . . . . B 8 ARG HD3 . 34317 1 26 . 1 . 1 72 72 ARG CB C 13 31.099 0.040 . . . . . . B 8 ARG CB . 34317 1 27 . 1 . 1 72 72 ARG N N 15 126.038 0.056 . . . . . . B 8 ARG N . 34317 1 28 . 1 . 1 73 73 GLY H H 1 8.306 0.000 . . . . . . B 9 GLY H . 34317 1 29 . 1 . 1 73 73 GLY HA2 H 1 4.070 0.000 . . . . . . B 9 GLY HA2 . 34317 1 30 . 1 . 1 73 73 GLY HA3 H 1 4.070 0.000 . . . . . . B 9 GLY HA3 . 34317 1 31 . 1 . 1 73 73 GLY N N 15 109.502 0.000 . . . . . . B 9 GLY N . 34317 1 32 . 1 . 1 74 74 PRO HG2 H 1 1.962 0.014 . . . . . . B 10 PRO HG2 . 34317 1 33 . 1 . 1 74 74 PRO HG3 H 1 1.962 0.014 . . . . . . B 10 PRO HG3 . 34317 1 34 . 1 . 1 74 74 PRO HD2 H 1 3.540 0.000 . . . . . . B 10 PRO HD2 . 34317 1 35 . 1 . 1 74 74 PRO HD3 H 1 3.612 0.000 . . . . . . B 10 PRO HD3 . 34317 1 36 . 1 . 1 74 74 PRO CD C 13 49.886 0.057 . . . . . . B 10 PRO CD . 34317 1 37 . 1 . 1 75 75 ALA H H 1 8.481 0.003 . . . . . . B 11 ALA H . 34317 1 38 . 1 . 1 75 75 ALA HA H 1 4.327 0.012 . . . . . . B 11 ALA HA . 34317 1 39 . 1 . 1 75 75 ALA HB1 H 1 1.417 0.008 . . . . . . B 11 ALA HB1 . 34317 1 40 . 1 . 1 75 75 ALA HB2 H 1 1.417 0.008 . . . . . . B 11 ALA HB2 . 34317 1 41 . 1 . 1 75 75 ALA HB3 H 1 1.417 0.008 . . . . . . B 11 ALA HB3 . 34317 1 42 . 1 . 1 75 75 ALA CA C 13 52.701 0.000 . . . . . . B 11 ALA CA . 34317 1 43 . 1 . 1 75 75 ALA CB C 13 19.195 0.024 . . . . . . B 11 ALA CB . 34317 1 44 . 1 . 1 75 75 ALA N N 15 123.883 0.000 . . . . . . B 11 ALA N . 34317 1 45 . 1 . 1 76 76 GLY H H 1 8.323 0.000 . . . . . . B 12 GLY H . 34317 1 46 . 1 . 1 76 76 GLY HA2 H 1 4.036 0.006 . . . . . . B 12 GLY HA2 . 34317 1 47 . 1 . 1 76 76 GLY HA3 H 1 4.036 0.006 . . . . . . B 12 GLY HA3 . 34317 1 48 . 1 . 1 76 76 GLY N N 15 107.519 0.000 . . . . . . B 12 GLY N . 34317 1 49 . 1 . 1 77 77 ASN HB2 H 1 2.745 0.000 . . . . . . B 13 ASN HB2 . 34317 1 50 . 1 . 1 77 77 ASN HB3 H 1 2.844 0.000 . . . . . . B 13 ASN HB3 . 34317 1 51 . 1 . 1 77 77 ASN HD21 H 1 7.608 0.001 . . . . . . B 13 ASN HD21 . 34317 1 52 . 1 . 1 77 77 ASN HD22 H 1 6.889 0.001 . . . . . . B 13 ASN HD22 . 34317 1 53 . 1 . 1 77 77 ASN ND2 N 15 113.181 0.053 . . . . . . B 13 ASN ND2 . 34317 1 54 . 1 . 1 78 78 ASN HB2 H 1 2.760 0.000 . . . . . . B 14 ASN HB2 . 34317 1 55 . 1 . 1 78 78 ASN HB3 H 1 2.868 0.000 . . . . . . B 14 ASN HB3 . 34317 1 56 . 1 . 1 78 78 ASN HD21 H 1 7.519 0.000 . . . . . . B 14 ASN HD21 . 34317 1 57 . 1 . 1 78 78 ASN HD22 H 1 6.983 0.000 . . . . . . B 14 ASN HD22 . 34317 1 58 . 1 . 1 78 78 ASN ND2 N 15 113.097 0.007 . . . . . . B 14 ASN ND2 . 34317 1 59 . 1 . 1 79 79 ASP H H 1 8.388 0.035 . . . . . . B 15 ASP H . 34317 1 60 . 1 . 1 79 79 ASP HA H 1 4.691 0.012 . . . . . . B 15 ASP HA . 34317 1 61 . 1 . 1 79 79 ASP HB2 H 1 2.717 0.018 . . . . . . B 15 ASP HB2 . 34317 1 62 . 1 . 1 79 79 ASP HB3 H 1 2.845 0.010 . . . . . . B 15 ASP HB3 . 34317 1 63 . 1 . 1 79 79 ASP CB C 13 41.078 0.037 . . . . . . B 15 ASP CB . 34317 1 64 . 1 . 1 79 79 ASP N N 15 120.236 0.009 . . . . . . B 15 ASP N . 34317 1 65 . 1 . 1 80 80 CYS H H 1 8.360 0.016 . . . . . . B 16 CYS H . 34317 1 66 . 1 . 1 80 80 CYS HA H 1 4.548 0.000 . . . . . . B 16 CYS HA . 34317 1 67 . 1 . 1 80 80 CYS HB2 H 1 3.120 0.008 . . . . . . B 16 CYS HB2 . 34317 1 68 . 1 . 1 80 80 CYS HB3 H 1 3.534 0.005 . . . . . . B 16 CYS HB3 . 34317 1 69 . 1 . 1 80 80 CYS CB C 13 29.441 0.005 . . . . . . B 16 CYS CB . 34317 1 70 . 1 . 1 80 80 CYS N N 15 115.571 0.004 . . . . . . B 16 CYS N . 34317 1 71 . 1 . 1 81 81 ARG H H 1 7.750 0.003 . . . . . . B 17 ARG H . 34317 1 72 . 1 . 1 81 81 ARG HA H 1 5.401 0.013 . . . . . . B 17 ARG HA . 34317 1 73 . 1 . 1 81 81 ARG HB2 H 1 1.774 0.018 . . . . . . B 17 ARG HB2 . 34317 1 74 . 1 . 1 81 81 ARG HB3 H 1 1.951 0.010 . . . . . . B 17 ARG HB3 . 34317 1 75 . 1 . 1 81 81 ARG HG2 H 1 1.563 0.007 . . . . . . B 17 ARG HG2 . 34317 1 76 . 1 . 1 81 81 ARG HG3 H 1 1.563 0.007 . . . . . . B 17 ARG HG3 . 34317 1 77 . 1 . 1 81 81 ARG HD2 H 1 3.149 0.000 . . . . . . B 17 ARG HD2 . 34317 1 78 . 1 . 1 81 81 ARG HD3 H 1 3.180 0.000 . . . . . . B 17 ARG HD3 . 34317 1 79 . 1 . 1 81 81 ARG CA C 13 55.343 0.000 . . . . . . B 17 ARG CA . 34317 1 80 . 1 . 1 81 81 ARG CB C 13 33.377 0.065 . . . . . . B 17 ARG CB . 34317 1 81 . 1 . 1 81 81 ARG CG C 13 28.439 0.000 . . . . . . B 17 ARG CG . 34317 1 82 . 1 . 1 81 81 ARG N N 15 121.968 0.003 . . . . . . B 17 ARG N . 34317 1 83 . 1 . 1 82 82 ILE H H 1 9.053 0.024 . . . . . . B 18 ILE H . 34317 1 84 . 1 . 1 82 82 ILE HA H 1 4.874 0.006 . . . . . . B 18 ILE HA . 34317 1 85 . 1 . 1 82 82 ILE HB H 1 1.560 0.030 . . . . . . B 18 ILE HB . 34317 1 86 . 1 . 1 82 82 ILE HG12 H 1 1.168 0.015 . . . . . . B 18 ILE HG12 . 34317 1 87 . 1 . 1 82 82 ILE HG13 H 1 1.168 0.015 . . . . . . B 18 ILE HG13 . 34317 1 88 . 1 . 1 82 82 ILE HG21 H 1 0.534 0.024 . . . . . . B 18 ILE HG21 . 34317 1 89 . 1 . 1 82 82 ILE HG22 H 1 0.534 0.024 . . . . . . B 18 ILE HG22 . 34317 1 90 . 1 . 1 82 82 ILE HG23 H 1 0.534 0.024 . . . . . . B 18 ILE HG23 . 34317 1 91 . 1 . 1 82 82 ILE HD11 H 1 0.336 0.016 . . . . . . B 18 ILE HD11 . 34317 1 92 . 1 . 1 82 82 ILE HD12 H 1 0.336 0.016 . . . . . . B 18 ILE HD12 . 34317 1 93 . 1 . 1 82 82 ILE HD13 H 1 0.336 0.016 . . . . . . B 18 ILE HD13 . 34317 1 94 . 1 . 1 82 82 ILE CA C 13 59.451 0.021 . . . . . . B 18 ILE CA . 34317 1 95 . 1 . 1 82 82 ILE CB C 13 40.618 0.009 . . . . . . B 18 ILE CB . 34317 1 96 . 1 . 1 82 82 ILE CG1 C 13 27.355 0.000 . . . . . . B 18 ILE CG1 . 34317 1 97 . 1 . 1 82 82 ILE CG2 C 13 18.798 0.012 . . . . . . B 18 ILE CG2 . 34317 1 98 . 1 . 1 82 82 ILE CD1 C 13 14.599 0.006 . . . . . . B 18 ILE CD1 . 34317 1 99 . 1 . 1 82 82 ILE N N 15 116.071 0.007 . . . . . . B 18 ILE N . 34317 1 100 . 1 . 1 83 83 TYR H H 1 9.115 0.001 . . . . . . B 19 TYR H . 34317 1 101 . 1 . 1 83 83 TYR HA H 1 4.842 0.039 . . . . . . B 19 TYR HA . 34317 1 102 . 1 . 1 83 83 TYR HB2 H 1 2.671 0.012 . . . . . . B 19 TYR HB2 . 34317 1 103 . 1 . 1 83 83 TYR HB3 H 1 2.785 0.076 . . . . . . B 19 TYR HB3 . 34317 1 104 . 1 . 1 83 83 TYR HD1 H 1 6.534 0.028 . . . . . . B 19 TYR HD1 . 34317 1 105 . 1 . 1 83 83 TYR HD2 H 1 6.534 0.028 . . . . . . B 19 TYR HD2 . 34317 1 106 . 1 . 1 83 83 TYR HE1 H 1 6.149 0.005 . . . . . . B 19 TYR HE1 . 34317 1 107 . 1 . 1 83 83 TYR HE2 H 1 6.149 0.005 . . . . . . B 19 TYR HE2 . 34317 1 108 . 1 . 1 83 83 TYR CD1 C 13 132.862 0.007 . . . . . . B 19 TYR CD1 . 34317 1 109 . 1 . 1 83 83 TYR CE1 C 13 117.949 0.000 . . . . . . B 19 TYR CE1 . 34317 1 110 . 1 . 1 83 83 TYR N N 15 123.883 0.037 . . . . . . B 19 TYR N . 34317 1 111 . 1 . 1 84 84 VAL H H 1 8.347 0.029 . . . . . . B 20 VAL H . 34317 1 112 . 1 . 1 84 84 VAL HA H 1 4.767 0.033 . . . . . . B 20 VAL HA . 34317 1 113 . 1 . 1 84 84 VAL HB H 1 1.750 0.012 . . . . . . B 20 VAL HB . 34317 1 114 . 1 . 1 84 84 VAL HG11 H 1 0.618 0.003 . . . . . . B 20 VAL HG11 . 34317 1 115 . 1 . 1 84 84 VAL HG12 H 1 0.618 0.003 . . . . . . B 20 VAL HG12 . 34317 1 116 . 1 . 1 84 84 VAL HG13 H 1 0.618 0.003 . . . . . . B 20 VAL HG13 . 34317 1 117 . 1 . 1 84 84 VAL HG21 H 1 0.928 0.011 . . . . . . B 20 VAL HG21 . 34317 1 118 . 1 . 1 84 84 VAL HG22 H 1 0.928 0.011 . . . . . . B 20 VAL HG22 . 34317 1 119 . 1 . 1 84 84 VAL HG23 H 1 0.928 0.011 . . . . . . B 20 VAL HG23 . 34317 1 120 . 1 . 1 84 84 VAL CB C 13 33.580 0.007 . . . . . . B 20 VAL CB . 34317 1 121 . 1 . 1 84 84 VAL CG1 C 13 21.815 0.001 . . . . . . B 20 VAL CG1 . 34317 1 122 . 1 . 1 84 84 VAL CG2 C 13 21.868 0.000 . . . . . . B 20 VAL CG2 . 34317 1 123 . 1 . 1 84 84 VAL N N 15 126.438 0.006 . . . . . . B 20 VAL N . 34317 1 124 . 1 . 1 85 85 GLY H H 1 9.486 0.014 . . . . . . B 21 GLY H . 34317 1 125 . 1 . 1 85 85 GLY HA2 H 1 3.685 0.011 . . . . . . B 21 GLY HA2 . 34317 1 126 . 1 . 1 85 85 GLY HA3 H 1 4.670 0.004 . . . . . . B 21 GLY HA3 . 34317 1 127 . 1 . 1 85 85 GLY CA C 13 43.208 0.019 . . . . . . B 21 GLY CA . 34317 1 128 . 1 . 1 85 85 GLY N N 15 113.431 0.004 . . . . . . B 21 GLY N . 34317 1 129 . 1 . 1 86 86 ASN H H 1 9.081 0.009 . . . . . . B 22 ASN H . 34317 1 130 . 1 . 1 86 86 ASN HA H 1 4.280 0.019 . . . . . . B 22 ASN HA . 34317 1 131 . 1 . 1 86 86 ASN HB2 H 1 2.456 0.002 . . . . . . B 22 ASN HB2 . 34317 1 132 . 1 . 1 86 86 ASN HB3 H 1 3.973 0.003 . . . . . . B 22 ASN HB3 . 34317 1 133 . 1 . 1 86 86 ASN HD21 H 1 6.793 0.000 . . . . . . B 22 ASN HD21 . 34317 1 134 . 1 . 1 86 86 ASN HD22 H 1 8.221 0.000 . . . . . . B 22 ASN HD22 . 34317 1 135 . 1 . 1 86 86 ASN CA C 13 53.961 0.014 . . . . . . B 22 ASN CA . 34317 1 136 . 1 . 1 86 86 ASN CB C 13 38.455 0.013 . . . . . . B 22 ASN CB . 34317 1 137 . 1 . 1 86 86 ASN N N 15 116.044 0.002 . . . . . . B 22 ASN N . 34317 1 138 . 1 . 1 86 86 ASN ND2 N 15 111.706 0.009 . . . . . . B 22 ASN ND2 . 34317 1 139 . 1 . 1 87 87 LEU H H 1 6.644 0.001 . . . . . . B 23 LEU H . 34317 1 140 . 1 . 1 87 87 LEU HA H 1 4.117 0.005 . . . . . . B 23 LEU HA . 34317 1 141 . 1 . 1 87 87 LEU HB2 H 1 1.085 0.002 . . . . . . B 23 LEU HB2 . 34317 1 142 . 1 . 1 87 87 LEU HB3 H 1 1.327 0.004 . . . . . . B 23 LEU HB3 . 34317 1 143 . 1 . 1 87 87 LEU HD11 H 1 0.736 0.004 . . . . . . B 23 LEU HD11 . 34317 1 144 . 1 . 1 87 87 LEU HD12 H 1 0.736 0.004 . . . . . . B 23 LEU HD12 . 34317 1 145 . 1 . 1 87 87 LEU HD13 H 1 0.736 0.004 . . . . . . B 23 LEU HD13 . 34317 1 146 . 1 . 1 87 87 LEU HD21 H 1 0.531 0.000 . . . . . . B 23 LEU HD21 . 34317 1 147 . 1 . 1 87 87 LEU HD22 H 1 0.531 0.000 . . . . . . B 23 LEU HD22 . 34317 1 148 . 1 . 1 87 87 LEU HD23 H 1 0.531 0.000 . . . . . . B 23 LEU HD23 . 34317 1 149 . 1 . 1 87 87 LEU CA C 13 52.865 0.000 . . . . . . B 23 LEU CA . 34317 1 150 . 1 . 1 87 87 LEU CB C 13 41.930 0.030 . . . . . . B 23 LEU CB . 34317 1 151 . 1 . 1 87 87 LEU CD1 C 13 23.635 0.000 . . . . . . B 23 LEU CD1 . 34317 1 152 . 1 . 1 87 87 LEU CD2 C 13 26.386 0.000 . . . . . . B 23 LEU CD2 . 34317 1 153 . 1 . 1 87 87 LEU N N 15 111.963 0.004 . . . . . . B 23 LEU N . 34317 1 154 . 1 . 1 88 88 PRO HG2 H 1 1.800 0.000 . . . . . . B 24 PRO HG2 . 34317 1 155 . 1 . 1 88 88 PRO HG3 H 1 1.946 0.000 . . . . . . B 24 PRO HG3 . 34317 1 156 . 1 . 1 88 88 PRO HD2 H 1 3.188 0.000 . . . . . . B 24 PRO HD2 . 34317 1 157 . 1 . 1 88 88 PRO HD3 H 1 3.432 0.000 . . . . . . B 24 PRO HD3 . 34317 1 158 . 1 . 1 88 88 PRO CD C 13 49.347 0.004 . . . . . . B 24 PRO CD . 34317 1 159 . 1 . 1 89 89 PRO HA H 1 4.024 0.000 . . . . . . B 25 PRO HA . 34317 1 160 . 1 . 1 89 89 PRO HB2 H 1 2.320 0.000 . . . . . . B 25 PRO HB2 . 34317 1 161 . 1 . 1 89 89 PRO HB3 H 1 2.320 0.000 . . . . . . B 25 PRO HB3 . 34317 1 162 . 1 . 1 89 89 PRO HG2 H 1 2.055 0.000 . . . . . . B 25 PRO HG2 . 34317 1 163 . 1 . 1 89 89 PRO HG3 H 1 2.055 0.000 . . . . . . B 25 PRO HG3 . 34317 1 164 . 1 . 1 89 89 PRO HD2 H 1 3.503 0.004 . . . . . . B 25 PRO HD2 . 34317 1 165 . 1 . 1 89 89 PRO HD3 H 1 3.503 0.004 . . . . . . B 25 PRO HD3 . 34317 1 166 . 1 . 1 89 89 PRO CA C 13 64.562 0.000 . . . . . . B 25 PRO CA . 34317 1 167 . 1 . 1 89 89 PRO CB C 13 32.088 0.000 . . . . . . B 25 PRO CB . 34317 1 168 . 1 . 1 89 89 PRO CG C 13 27.696 0.000 . . . . . . B 25 PRO CG . 34317 1 169 . 1 . 1 89 89 PRO CD C 13 50.733 0.000 . . . . . . B 25 PRO CD . 34317 1 170 . 1 . 1 90 90 ASP H H 1 8.156 0.004 . . . . . . B 26 ASP H . 34317 1 171 . 1 . 1 90 90 ASP HA H 1 4.666 0.006 . . . . . . B 26 ASP HA . 34317 1 172 . 1 . 1 90 90 ASP HB2 H 1 2.713 0.001 . . . . . . B 26 ASP HB2 . 34317 1 173 . 1 . 1 90 90 ASP HB3 H 1 2.798 0.004 . . . . . . B 26 ASP HB3 . 34317 1 174 . 1 . 1 90 90 ASP CB C 13 39.880 0.059 . . . . . . B 26 ASP CB . 34317 1 175 . 1 . 1 90 90 ASP N N 15 115.132 0.001 . . . . . . B 26 ASP N . 34317 1 176 . 1 . 1 91 91 ILE H H 1 7.167 0.005 . . . . . . B 27 ILE H . 34317 1 177 . 1 . 1 91 91 ILE HA H 1 4.103 0.004 . . . . . . B 27 ILE HA . 34317 1 178 . 1 . 1 91 91 ILE HB H 1 1.933 0.006 . . . . . . B 27 ILE HB . 34317 1 179 . 1 . 1 91 91 ILE HG12 H 1 1.248 0.004 . . . . . . B 27 ILE HG12 . 34317 1 180 . 1 . 1 91 91 ILE HG13 H 1 1.734 0.009 . . . . . . B 27 ILE HG13 . 34317 1 181 . 1 . 1 91 91 ILE HG21 H 1 0.778 0.002 . . . . . . B 27 ILE HG21 . 34317 1 182 . 1 . 1 91 91 ILE HG22 H 1 0.778 0.002 . . . . . . B 27 ILE HG22 . 34317 1 183 . 1 . 1 91 91 ILE HG23 H 1 0.778 0.002 . . . . . . B 27 ILE HG23 . 34317 1 184 . 1 . 1 91 91 ILE HD11 H 1 0.837 0.001 . . . . . . B 27 ILE HD11 . 34317 1 185 . 1 . 1 91 91 ILE HD12 H 1 0.837 0.001 . . . . . . B 27 ILE HD12 . 34317 1 186 . 1 . 1 91 91 ILE HD13 H 1 0.837 0.001 . . . . . . B 27 ILE HD13 . 34317 1 187 . 1 . 1 91 91 ILE CA C 13 59.673 0.003 . . . . . . B 27 ILE CA . 34317 1 188 . 1 . 1 91 91 ILE CB C 13 39.333 0.013 . . . . . . B 27 ILE CB . 34317 1 189 . 1 . 1 91 91 ILE CG1 C 13 29.200 0.032 . . . . . . B 27 ILE CG1 . 34317 1 190 . 1 . 1 91 91 ILE CG2 C 13 19.873 0.006 . . . . . . B 27 ILE CG2 . 34317 1 191 . 1 . 1 91 91 ILE CD1 C 13 15.793 0.005 . . . . . . B 27 ILE CD1 . 34317 1 192 . 1 . 1 91 91 ILE N N 15 120.426 0.002 . . . . . . B 27 ILE N . 34317 1 193 . 1 . 1 92 92 ARG H H 1 8.451 0.005 . . . . . . B 28 ARG H . 34317 1 194 . 1 . 1 92 92 ARG HA H 1 4.857 0.001 . . . . . . B 28 ARG HA . 34317 1 195 . 1 . 1 92 92 ARG HB2 H 1 1.735 0.000 . . . . . . B 28 ARG HB2 . 34317 1 196 . 1 . 1 92 92 ARG HB3 H 1 1.735 0.000 . . . . . . B 28 ARG HB3 . 34317 1 197 . 1 . 1 92 92 ARG HG2 H 1 1.821 0.001 . . . . . . B 28 ARG HG2 . 34317 1 198 . 1 . 1 92 92 ARG HG3 H 1 1.821 0.001 . . . . . . B 28 ARG HG3 . 34317 1 199 . 1 . 1 92 92 ARG HD2 H 1 3.365 0.000 . . . . . . B 28 ARG HD2 . 34317 1 200 . 1 . 1 92 92 ARG HD3 H 1 3.365 0.000 . . . . . . B 28 ARG HD3 . 34317 1 201 . 1 . 1 92 92 ARG CA C 13 53.668 0.000 . . . . . . B 28 ARG CA . 34317 1 202 . 1 . 1 92 92 ARG CB C 13 29.181 0.000 . . . . . . B 28 ARG CB . 34317 1 203 . 1 . 1 92 92 ARG CG C 13 26.405 0.000 . . . . . . B 28 ARG CG . 34317 1 204 . 1 . 1 92 92 ARG CD C 13 43.470 0.000 . . . . . . B 28 ARG CD . 34317 1 205 . 1 . 1 92 92 ARG N N 15 123.540 0.000 . . . . . . B 28 ARG N . 34317 1 206 . 1 . 1 93 93 THR H H 1 7.053 0.000 . . . . . . B 29 THR H . 34317 1 207 . 1 . 1 93 93 THR HA H 1 4.172 0.009 . . . . . . B 29 THR HA . 34317 1 208 . 1 . 1 93 93 THR HB H 1 3.653 0.004 . . . . . . B 29 THR HB . 34317 1 209 . 1 . 1 93 93 THR HG21 H 1 1.277 0.011 . . . . . . B 29 THR HG21 . 34317 1 210 . 1 . 1 93 93 THR HG22 H 1 1.277 0.011 . . . . . . B 29 THR HG22 . 34317 1 211 . 1 . 1 93 93 THR HG23 H 1 1.277 0.011 . . . . . . B 29 THR HG23 . 34317 1 212 . 1 . 1 93 93 THR CA C 13 67.907 0.000 . . . . . . B 29 THR CA . 34317 1 213 . 1 . 1 93 93 THR CB C 13 67.948 0.000 . . . . . . B 29 THR CB . 34317 1 214 . 1 . 1 93 93 THR CG2 C 13 23.184 0.000 . . . . . . B 29 THR CG2 . 34317 1 215 . 1 . 1 93 93 THR N N 15 117.011 0.011 . . . . . . B 29 THR N . 34317 1 216 . 1 . 1 94 94 LYS H H 1 8.206 0.025 . . . . . . B 30 LYS H . 34317 1 217 . 1 . 1 94 94 LYS HA H 1 4.157 0.007 . . . . . . B 30 LYS HA . 34317 1 218 . 1 . 1 94 94 LYS HB2 H 1 1.665 0.000 . . . . . . B 30 LYS HB2 . 34317 1 219 . 1 . 1 94 94 LYS HB3 H 1 1.925 0.005 . . . . . . B 30 LYS HB3 . 34317 1 220 . 1 . 1 94 94 LYS HG2 H 1 1.492 0.006 . . . . . . B 30 LYS HG2 . 34317 1 221 . 1 . 1 94 94 LYS HG3 H 1 1.492 0.006 . . . . . . B 30 LYS HG3 . 34317 1 222 . 1 . 1 94 94 LYS HD2 H 1 1.659 0.008 . . . . . . B 30 LYS HD2 . 34317 1 223 . 1 . 1 94 94 LYS HD3 H 1 1.659 0.008 . . . . . . B 30 LYS HD3 . 34317 1 224 . 1 . 1 94 94 LYS HE2 H 1 3.024 0.010 . . . . . . B 30 LYS HE2 . 34317 1 225 . 1 . 1 94 94 LYS HE3 H 1 3.024 0.010 . . . . . . B 30 LYS HE3 . 34317 1 226 . 1 . 1 94 94 LYS CA C 13 58.685 0.000 . . . . . . B 30 LYS CA . 34317 1 227 . 1 . 1 94 94 LYS CB C 13 32.225 0.048 . . . . . . B 30 LYS CB . 34317 1 228 . 1 . 1 94 94 LYS CG C 13 24.458 0.065 . . . . . . B 30 LYS CG . 34317 1 229 . 1 . 1 94 94 LYS CD C 13 28.659 0.005 . . . . . . B 30 LYS CD . 34317 1 230 . 1 . 1 94 94 LYS CE C 13 42.999 0.000 . . . . . . B 30 LYS CE . 34317 1 231 . 1 . 1 94 94 LYS N N 15 119.352 0.006 . . . . . . B 30 LYS N . 34317 1 232 . 1 . 1 95 95 ASP H H 1 7.053 0.001 . . . . . . B 31 ASP H . 34317 1 233 . 1 . 1 95 95 ASP HA H 1 4.477 0.004 . . . . . . B 31 ASP HA . 34317 1 234 . 1 . 1 95 95 ASP HB2 H 1 3.029 0.004 . . . . . . B 31 ASP HB2 . 34317 1 235 . 1 . 1 95 95 ASP HB3 H 1 3.155 0.001 . . . . . . B 31 ASP HB3 . 34317 1 236 . 1 . 1 95 95 ASP CA C 13 57.402 0.000 . . . . . . B 31 ASP CA . 34317 1 237 . 1 . 1 95 95 ASP CB C 13 41.728 0.013 . . . . . . B 31 ASP CB . 34317 1 238 . 1 . 1 95 95 ASP N N 15 117.024 0.001 . . . . . . B 31 ASP N . 34317 1 239 . 1 . 1 96 96 ILE H H 1 7.281 0.001 . . . . . . B 32 ILE H . 34317 1 240 . 1 . 1 96 96 ILE HA H 1 3.568 0.011 . . . . . . B 32 ILE HA . 34317 1 241 . 1 . 1 96 96 ILE HB H 1 2.169 0.003 . . . . . . B 32 ILE HB . 34317 1 242 . 1 . 1 96 96 ILE HG12 H 1 0.826 0.000 . . . . . . B 32 ILE HG12 . 34317 1 243 . 1 . 1 96 96 ILE HG13 H 1 0.826 0.000 . . . . . . B 32 ILE HG13 . 34317 1 244 . 1 . 1 96 96 ILE HG21 H 1 0.835 0.003 . . . . . . B 32 ILE HG21 . 34317 1 245 . 1 . 1 96 96 ILE HG22 H 1 1.730 0.005 . . . . . . B 32 ILE HG22 . 34317 1 246 . 1 . 1 96 96 ILE HG23 H 1 0.835 0.003 . . . . . . B 32 ILE HG23 . 34317 1 247 . 1 . 1 96 96 ILE HD11 H 1 0.641 0.001 . . . . . . B 32 ILE HD11 . 34317 1 248 . 1 . 1 96 96 ILE HD12 H 1 0.641 0.001 . . . . . . B 32 ILE HD12 . 34317 1 249 . 1 . 1 96 96 ILE HD13 H 1 0.641 0.001 . . . . . . B 32 ILE HD13 . 34317 1 250 . 1 . 1 96 96 ILE CA C 13 64.881 0.000 . . . . . . B 32 ILE CA . 34317 1 251 . 1 . 1 96 96 ILE CB C 13 37.143 0.000 . . . . . . B 32 ILE CB . 34317 1 252 . 1 . 1 96 96 ILE CG1 C 13 28.803 0.000 . . . . . . B 32 ILE CG1 . 34317 1 253 . 1 . 1 96 96 ILE CG2 C 13 18.719 0.013 . . . . . . B 32 ILE CG2 . 34317 1 254 . 1 . 1 96 96 ILE CD1 C 13 14.093 0.000 . . . . . . B 32 ILE CD1 . 34317 1 255 . 1 . 1 96 96 ILE N N 15 118.225 0.001 . . . . . . B 32 ILE N . 34317 1 256 . 1 . 1 97 97 GLU H H 1 8.246 0.003 . . . . . . B 33 GLU H . 34317 1 257 . 1 . 1 97 97 GLU HA H 1 3.721 0.003 . . . . . . B 33 GLU HA . 34317 1 258 . 1 . 1 97 97 GLU HB2 H 1 2.130 0.000 . . . . . . B 33 GLU HB2 . 34317 1 259 . 1 . 1 97 97 GLU HB3 H 1 2.254 0.000 . . . . . . B 33 GLU HB3 . 34317 1 260 . 1 . 1 97 97 GLU HG2 H 1 2.243 0.010 . . . . . . B 33 GLU HG2 . 34317 1 261 . 1 . 1 97 97 GLU HG3 H 1 2.243 0.010 . . . . . . B 33 GLU HG3 . 34317 1 262 . 1 . 1 97 97 GLU CA C 13 60.594 0.000 . . . . . . B 33 GLU CA . 34317 1 263 . 1 . 1 97 97 GLU CB C 13 29.624 0.007 . . . . . . B 33 GLU CB . 34317 1 264 . 1 . 1 97 97 GLU CG C 13 36.826 0.000 . . . . . . B 33 GLU CG . 34317 1 265 . 1 . 1 97 97 GLU N N 15 121.345 0.001 . . . . . . B 33 GLU N . 34317 1 266 . 1 . 1 98 98 ASP H H 1 8.138 0.002 . . . . . . B 34 ASP H . 34317 1 267 . 1 . 1 98 98 ASP HA H 1 4.468 0.010 . . . . . . B 34 ASP HA . 34317 1 268 . 1 . 1 98 98 ASP HB2 H 1 2.785 0.003 . . . . . . B 34 ASP HB2 . 34317 1 269 . 1 . 1 98 98 ASP HB3 H 1 3.001 0.003 . . . . . . B 34 ASP HB3 . 34317 1 270 . 1 . 1 98 98 ASP CA C 13 57.544 0.080 . . . . . . B 34 ASP CA . 34317 1 271 . 1 . 1 98 98 ASP CB C 13 40.551 0.051 . . . . . . B 34 ASP CB . 34317 1 272 . 1 . 1 98 98 ASP N N 15 118.759 0.004 . . . . . . B 34 ASP N . 34317 1 273 . 1 . 1 99 99 VAL H H 1 7.717 0.002 . . . . . . B 35 VAL H . 34317 1 274 . 1 . 1 99 99 VAL HA H 1 3.747 0.001 . . . . . . B 35 VAL HA . 34317 1 275 . 1 . 1 99 99 VAL HB H 1 1.931 0.003 . . . . . . B 35 VAL HB . 34317 1 276 . 1 . 1 99 99 VAL HG11 H 1 0.003 0.001 . . . . . . B 35 VAL HG11 . 34317 1 277 . 1 . 1 99 99 VAL HG12 H 1 0.003 0.001 . . . . . . B 35 VAL HG12 . 34317 1 278 . 1 . 1 99 99 VAL HG13 H 1 0.003 0.001 . . . . . . B 35 VAL HG13 . 34317 1 279 . 1 . 1 99 99 VAL HG21 H 1 0.873 0.003 . . . . . . B 35 VAL HG21 . 34317 1 280 . 1 . 1 99 99 VAL HG22 H 1 0.873 0.003 . . . . . . B 35 VAL HG22 . 34317 1 281 . 1 . 1 99 99 VAL HG23 H 1 0.873 0.003 . . . . . . B 35 VAL HG23 . 34317 1 282 . 1 . 1 99 99 VAL CA C 13 65.412 0.011 . . . . . . B 35 VAL CA . 34317 1 283 . 1 . 1 99 99 VAL CB C 13 32.318 0.023 . . . . . . B 35 VAL CB . 34317 1 284 . 1 . 1 99 99 VAL CG1 C 13 21.323 0.011 . . . . . . B 35 VAL CG1 . 34317 1 285 . 1 . 1 99 99 VAL CG2 C 13 23.093 0.007 . . . . . . B 35 VAL CG2 . 34317 1 286 . 1 . 1 99 99 VAL N N 15 118.586 0.017 . . . . . . B 35 VAL N . 34317 1 287 . 1 . 1 100 100 PHE H H 1 7.932 0.002 . . . . . . B 36 PHE H . 34317 1 288 . 1 . 1 100 100 PHE HA H 1 4.883 0.002 . . . . . . B 36 PHE HA . 34317 1 289 . 1 . 1 100 100 PHE HB2 H 1 2.797 0.009 . . . . . . B 36 PHE HB2 . 34317 1 290 . 1 . 1 100 100 PHE HB3 H 1 3.664 0.007 . . . . . . B 36 PHE HB3 . 34317 1 291 . 1 . 1 100 100 PHE HD1 H 1 7.620 0.004 . . . . . . B 36 PHE HD1 . 34317 1 292 . 1 . 1 100 100 PHE HD2 H 1 7.620 0.004 . . . . . . B 36 PHE HD2 . 34317 1 293 . 1 . 1 100 100 PHE HE1 H 1 7.147 0.015 . . . . . . B 36 PHE HE1 . 34317 1 294 . 1 . 1 100 100 PHE HE2 H 1 7.147 0.015 . . . . . . B 36 PHE HE2 . 34317 1 295 . 1 . 1 100 100 PHE HZ H 1 7.136 0.000 . . . . . . B 36 PHE HZ . 34317 1 296 . 1 . 1 100 100 PHE CA C 13 61.223 0.012 . . . . . . B 36 PHE CA . 34317 1 297 . 1 . 1 100 100 PHE CB C 13 40.984 0.060 . . . . . . B 36 PHE CB . 34317 1 298 . 1 . 1 100 100 PHE CD1 C 13 131.928 0.006 . . . . . . B 36 PHE CD1 . 34317 1 299 . 1 . 1 100 100 PHE CE1 C 13 128.814 0.015 . . . . . . B 36 PHE CE1 . 34317 1 300 . 1 . 1 100 100 PHE N N 15 115.279 0.009 . . . . . . B 36 PHE N . 34317 1 301 . 1 . 1 101 101 SER H H 1 8.822 0.002 . . . . . . B 37 SER H . 34317 1 302 . 1 . 1 101 101 SER HA H 1 4.556 0.008 . . . . . . B 37 SER HA . 34317 1 303 . 1 . 1 101 101 SER HB2 H 1 4.168 0.033 . . . . . . B 37 SER HB2 . 34317 1 304 . 1 . 1 101 101 SER HB3 H 1 4.212 0.002 . . . . . . B 37 SER HB3 . 34317 1 305 . 1 . 1 101 101 SER CA C 13 61.720 0.000 . . . . . . B 37 SER CA . 34317 1 306 . 1 . 1 101 101 SER CB C 13 62.891 0.008 . . . . . . B 37 SER CB . 34317 1 307 . 1 . 1 101 101 SER N N 15 117.578 0.001 . . . . . . B 37 SER N . 34317 1 308 . 1 . 1 102 102 LYS H H 1 7.694 0.001 . . . . . . B 38 LYS H . 34317 1 309 . 1 . 1 102 102 LYS HA H 1 4.046 0.002 . . . . . . B 38 LYS HA . 34317 1 310 . 1 . 1 102 102 LYS HB2 H 1 1.323 0.002 . . . . . . B 38 LYS HB2 . 34317 1 311 . 1 . 1 102 102 LYS HB3 H 1 1.545 0.001 . . . . . . B 38 LYS HB3 . 34317 1 312 . 1 . 1 102 102 LYS HG2 H 1 0.505 0.002 . . . . . . B 38 LYS HG2 . 34317 1 313 . 1 . 1 102 102 LYS HG3 H 1 0.900 0.000 . . . . . . B 38 LYS HG3 . 34317 1 314 . 1 . 1 102 102 LYS HD2 H 1 1.357 0.017 . . . . . . B 38 LYS HD2 . 34317 1 315 . 1 . 1 102 102 LYS HD3 H 1 1.357 0.017 . . . . . . B 38 LYS HD3 . 34317 1 316 . 1 . 1 102 102 LYS HE2 H 1 2.738 0.002 . . . . . . B 38 LYS HE2 . 34317 1 317 . 1 . 1 102 102 LYS HE3 H 1 2.738 0.002 . . . . . . B 38 LYS HE3 . 34317 1 318 . 1 . 1 102 102 LYS CA C 13 57.660 0.004 . . . . . . B 38 LYS CA . 34317 1 319 . 1 . 1 102 102 LYS CB C 13 31.418 0.011 . . . . . . B 38 LYS CB . 34317 1 320 . 1 . 1 102 102 LYS CG C 13 23.437 0.010 . . . . . . B 38 LYS CG . 34317 1 321 . 1 . 1 102 102 LYS CD C 13 28.827 0.025 . . . . . . B 38 LYS CD . 34317 1 322 . 1 . 1 102 102 LYS CE C 13 41.920 0.012 . . . . . . B 38 LYS CE . 34317 1 323 . 1 . 1 102 102 LYS N N 15 119.030 0.001 . . . . . . B 38 LYS N . 34317 1 324 . 1 . 1 103 103 TYR H H 1 7.675 0.010 . . . . . . B 39 TYR H . 34317 1 325 . 1 . 1 103 103 TYR HA H 1 4.267 0.010 . . . . . . B 39 TYR HA . 34317 1 326 . 1 . 1 103 103 TYR HB2 H 1 2.886 0.010 . . . . . . B 39 TYR HB2 . 34317 1 327 . 1 . 1 103 103 TYR HB3 H 1 3.258 0.003 . . . . . . B 39 TYR HB3 . 34317 1 328 . 1 . 1 103 103 TYR HD1 H 1 7.416 0.001 . . . . . . B 39 TYR HD1 . 34317 1 329 . 1 . 1 103 103 TYR HD2 H 1 7.416 0.001 . . . . . . B 39 TYR HD2 . 34317 1 330 . 1 . 1 103 103 TYR HE1 H 1 6.662 0.003 . . . . . . B 39 TYR HE1 . 34317 1 331 . 1 . 1 103 103 TYR HE2 H 1 6.662 0.003 . . . . . . B 39 TYR HE2 . 34317 1 332 . 1 . 1 103 103 TYR CA C 13 60.236 0.016 . . . . . . B 39 TYR CA . 34317 1 333 . 1 . 1 103 103 TYR CB C 13 38.481 0.030 . . . . . . B 39 TYR CB . 34317 1 334 . 1 . 1 103 103 TYR CD1 C 13 132.878 0.008 . . . . . . B 39 TYR CD1 . 34317 1 335 . 1 . 1 103 103 TYR CE1 C 13 118.471 0.037 . . . . . . B 39 TYR CE1 . 34317 1 336 . 1 . 1 103 103 TYR N N 15 116.995 0.003 . . . . . . B 39 TYR N . 34317 1 337 . 1 . 1 104 104 GLY H H 1 7.305 0.003 . . . . . . B 40 GLY H . 34317 1 338 . 1 . 1 104 104 GLY HA2 H 1 3.816 0.003 . . . . . . B 40 GLY HA2 . 34317 1 339 . 1 . 1 104 104 GLY HA3 H 1 4.846 0.008 . . . . . . B 40 GLY HA3 . 34317 1 340 . 1 . 1 104 104 GLY CA C 13 44.496 0.010 . . . . . . B 40 GLY CA . 34317 1 341 . 1 . 1 104 104 GLY N N 15 103.809 0.000 . . . . . . B 40 GLY N . 34317 1 342 . 1 . 1 105 105 ALA H H 1 8.156 0.006 . . . . . . B 41 ALA H . 34317 1 343 . 1 . 1 105 105 ALA HA H 1 4.312 0.004 . . . . . . B 41 ALA HA . 34317 1 344 . 1 . 1 105 105 ALA HB1 H 1 1.421 0.003 . . . . . . B 41 ALA HB1 . 34317 1 345 . 1 . 1 105 105 ALA HB2 H 1 1.421 0.003 . . . . . . B 41 ALA HB2 . 34317 1 346 . 1 . 1 105 105 ALA HB3 H 1 1.421 0.003 . . . . . . B 41 ALA HB3 . 34317 1 347 . 1 . 1 105 105 ALA CA C 13 53.194 0.015 . . . . . . B 41 ALA CA . 34317 1 348 . 1 . 1 105 105 ALA CB C 13 19.173 0.000 . . . . . . B 41 ALA CB . 34317 1 349 . 1 . 1 105 105 ALA N N 15 119.737 0.000 . . . . . . B 41 ALA N . 34317 1 350 . 1 . 1 106 106 ILE H H 1 8.480 0.003 . . . . . . B 42 ILE H . 34317 1 351 . 1 . 1 106 106 ILE HA H 1 3.888 0.005 . . . . . . B 42 ILE HA . 34317 1 352 . 1 . 1 106 106 ILE HB H 1 1.604 0.004 . . . . . . B 42 ILE HB . 34317 1 353 . 1 . 1 106 106 ILE HG12 H 1 1.747 0.009 . . . . . . B 42 ILE HG12 . 34317 1 354 . 1 . 1 106 106 ILE HG13 H 1 0.052 0.001 . . . . . . B 42 ILE HG13 . 34317 1 355 . 1 . 1 106 106 ILE HG21 H 1 0.512 0.004 . . . . . . B 42 ILE HG21 . 34317 1 356 . 1 . 1 106 106 ILE HG22 H 1 0.512 0.004 . . . . . . B 42 ILE HG22 . 34317 1 357 . 1 . 1 106 106 ILE HG23 H 1 0.512 0.004 . . . . . . B 42 ILE HG23 . 34317 1 358 . 1 . 1 106 106 ILE HD11 H 1 0.644 0.003 . . . . . . B 42 ILE HD11 . 34317 1 359 . 1 . 1 106 106 ILE HD12 H 1 0.644 0.003 . . . . . . B 42 ILE HD12 . 34317 1 360 . 1 . 1 106 106 ILE HD13 H 1 0.644 0.003 . . . . . . B 42 ILE HD13 . 34317 1 361 . 1 . 1 106 106 ILE CA C 13 61.265 0.008 . . . . . . B 42 ILE CA . 34317 1 362 . 1 . 1 106 106 ILE CB C 13 40.259 0.018 . . . . . . B 42 ILE CB . 34317 1 363 . 1 . 1 106 106 ILE CG1 C 13 28.264 0.028 . . . . . . B 42 ILE CG1 . 34317 1 364 . 1 . 1 106 106 ILE CG2 C 13 18.049 0.006 . . . . . . B 42 ILE CG2 . 34317 1 365 . 1 . 1 106 106 ILE CD1 C 13 14.161 0.034 . . . . . . B 42 ILE CD1 . 34317 1 366 . 1 . 1 106 106 ILE N N 15 123.876 0.009 . . . . . . B 42 ILE N . 34317 1 367 . 1 . 1 107 107 ARG H H 1 9.252 0.009 . . . . . . B 43 ARG H . 34317 1 368 . 1 . 1 107 107 ARG HA H 1 4.365 0.006 . . . . . . B 43 ARG HA . 34317 1 369 . 1 . 1 107 107 ARG HB2 H 1 1.524 0.000 . . . . . . B 43 ARG HB2 . 34317 1 370 . 1 . 1 107 107 ARG HB3 H 1 1.524 0.000 . . . . . . B 43 ARG HB3 . 34317 1 371 . 1 . 1 107 107 ARG HG2 H 1 1.520 0.004 . . . . . . B 43 ARG HG2 . 34317 1 372 . 1 . 1 107 107 ARG HG3 H 1 1.520 0.004 . . . . . . B 43 ARG HG3 . 34317 1 373 . 1 . 1 107 107 ARG HD2 H 1 3.187 0.000 . . . . . . B 43 ARG HD2 . 34317 1 374 . 1 . 1 107 107 ARG HD3 H 1 3.187 0.000 . . . . . . B 43 ARG HD3 . 34317 1 375 . 1 . 1 107 107 ARG CA C 13 56.975 0.003 . . . . . . B 43 ARG CA . 34317 1 376 . 1 . 1 107 107 ARG CB C 13 32.193 0.002 . . . . . . B 43 ARG CB . 34317 1 377 . 1 . 1 107 107 ARG CG C 13 27.129 0.003 . . . . . . B 43 ARG CG . 34317 1 378 . 1 . 1 107 107 ARG CD C 13 43.428 0.000 . . . . . . B 43 ARG CD . 34317 1 379 . 1 . 1 107 107 ARG N N 15 127.968 0.001 . . . . . . B 43 ARG N . 34317 1 380 . 1 . 1 108 108 ASP H H 1 7.584 0.057 . . . . . . B 44 ASP H . 34317 1 381 . 1 . 1 108 108 ASP HA H 1 4.734 0.084 . . . . . . B 44 ASP HA . 34317 1 382 . 1 . 1 108 108 ASP HB2 H 1 2.337 0.014 . . . . . . B 44 ASP HB2 . 34317 1 383 . 1 . 1 108 108 ASP HB3 H 1 2.650 0.010 . . . . . . B 44 ASP HB3 . 34317 1 384 . 1 . 1 108 108 ASP CB C 13 43.200 0.010 . . . . . . B 44 ASP CB . 34317 1 385 . 1 . 1 108 108 ASP N N 15 116.244 0.005 . . . . . . B 44 ASP N . 34317 1 386 . 1 . 1 109 109 ILE H H 1 7.906 0.014 . . . . . . B 45 ILE H . 34317 1 387 . 1 . 1 109 109 ILE HA H 1 4.410 0.010 . . . . . . B 45 ILE HA . 34317 1 388 . 1 . 1 109 109 ILE HB H 1 1.629 0.009 . . . . . . B 45 ILE HB . 34317 1 389 . 1 . 1 109 109 ILE HG12 H 1 1.288 0.000 . . . . . . B 45 ILE HG12 . 34317 1 390 . 1 . 1 109 109 ILE HG13 H 1 1.288 0.000 . . . . . . B 45 ILE HG13 . 34317 1 391 . 1 . 1 109 109 ILE HG21 H 1 0.706 0.002 . . . . . . B 45 ILE HG21 . 34317 1 392 . 1 . 1 109 109 ILE HG22 H 1 0.706 0.002 . . . . . . B 45 ILE HG22 . 34317 1 393 . 1 . 1 109 109 ILE HG23 H 1 0.706 0.002 . . . . . . B 45 ILE HG23 . 34317 1 394 . 1 . 1 109 109 ILE HD11 H 1 0.801 0.044 . . . . . . B 45 ILE HD11 . 34317 1 395 . 1 . 1 109 109 ILE HD12 H 1 0.801 0.044 . . . . . . B 45 ILE HD12 . 34317 1 396 . 1 . 1 109 109 ILE HD13 H 1 0.801 0.044 . . . . . . B 45 ILE HD13 . 34317 1 397 . 1 . 1 109 109 ILE CA C 13 61.566 0.000 . . . . . . B 45 ILE CA . 34317 1 398 . 1 . 1 109 109 ILE CB C 13 41.146 0.004 . . . . . . B 45 ILE CB . 34317 1 399 . 1 . 1 109 109 ILE CG1 C 13 23.192 0.013 . . . . . . B 45 ILE CG1 . 34317 1 400 . 1 . 1 109 109 ILE CG2 C 13 17.587 0.003 . . . . . . B 45 ILE CG2 . 34317 1 401 . 1 . 1 109 109 ILE CD1 C 13 14.266 0.009 . . . . . . B 45 ILE CD1 . 34317 1 402 . 1 . 1 109 109 ILE N N 15 122.400 0.005 . . . . . . B 45 ILE N . 34317 1 403 . 1 . 1 110 110 ASP H H 1 8.949 0.003 . . . . . . B 46 ASP H . 34317 1 404 . 1 . 1 110 110 ASP HA H 1 4.922 0.004 . . . . . . B 46 ASP HA . 34317 1 405 . 1 . 1 110 110 ASP HB2 H 1 2.629 0.007 . . . . . . B 46 ASP HB2 . 34317 1 406 . 1 . 1 110 110 ASP HB3 H 1 3.065 0.008 . . . . . . B 46 ASP HB3 . 34317 1 407 . 1 . 1 110 110 ASP CA C 13 52.373 0.082 . . . . . . B 46 ASP CA . 34317 1 408 . 1 . 1 110 110 ASP CB C 13 42.543 0.008 . . . . . . B 46 ASP CB . 34317 1 409 . 1 . 1 110 110 ASP N N 15 128.958 0.002 . . . . . . B 46 ASP N . 34317 1 410 . 1 . 1 111 111 LEU H H 1 8.263 0.010 . . . . . . B 47 LEU H . 34317 1 411 . 1 . 1 111 111 LEU HA H 1 4.337 0.006 . . . . . . B 47 LEU HA . 34317 1 412 . 1 . 1 111 111 LEU HB2 H 1 1.849 0.004 . . . . . . B 47 LEU HB2 . 34317 1 413 . 1 . 1 111 111 LEU HB3 H 1 1.849 0.004 . . . . . . B 47 LEU HB3 . 34317 1 414 . 1 . 1 111 111 LEU HG H 1 0.722 0.008 . . . . . . B 47 LEU HG . 34317 1 415 . 1 . 1 111 111 LEU HD11 H 1 0.573 0.012 . . . . . . B 47 LEU HD11 . 34317 1 416 . 1 . 1 111 111 LEU HD12 H 1 0.573 0.012 . . . . . . B 47 LEU HD12 . 34317 1 417 . 1 . 1 111 111 LEU HD13 H 1 0.573 0.012 . . . . . . B 47 LEU HD13 . 34317 1 418 . 1 . 1 111 111 LEU HD21 H 1 0.733 0.000 . . . . . . B 47 LEU HD21 . 34317 1 419 . 1 . 1 111 111 LEU HD22 H 1 0.733 0.000 . . . . . . B 47 LEU HD22 . 34317 1 420 . 1 . 1 111 111 LEU HD23 H 1 0.733 0.000 . . . . . . B 47 LEU HD23 . 34317 1 421 . 1 . 1 111 111 LEU CA C 13 54.756 0.028 . . . . . . B 47 LEU CA . 34317 1 422 . 1 . 1 111 111 LEU CB C 13 43.982 0.030 . . . . . . B 47 LEU CB . 34317 1 423 . 1 . 1 111 111 LEU CD1 C 13 23.529 0.004 . . . . . . B 47 LEU CD1 . 34317 1 424 . 1 . 1 111 111 LEU CD2 C 13 26.423 0.003 . . . . . . B 47 LEU CD2 . 34317 1 425 . 1 . 1 111 111 LEU N N 15 126.169 0.010 . . . . . . B 47 LEU N . 34317 1 426 . 1 . 1 112 112 LYS H H 1 8.994 0.009 . . . . . . B 48 LYS H . 34317 1 427 . 1 . 1 112 112 LYS HA H 1 4.433 0.004 . . . . . . B 48 LYS HA . 34317 1 428 . 1 . 1 112 112 LYS HB2 H 1 0.546 0.014 . . . . . . B 48 LYS HB2 . 34317 1 429 . 1 . 1 112 112 LYS HB3 H 1 1.074 0.005 . . . . . . B 48 LYS HB3 . 34317 1 430 . 1 . 1 112 112 LYS HG2 H 1 1.068 0.000 . . . . . . B 48 LYS HG2 . 34317 1 431 . 1 . 1 112 112 LYS HG3 H 1 1.205 0.028 . . . . . . B 48 LYS HG3 . 34317 1 432 . 1 . 1 112 112 LYS HD2 H 1 1.504 0.019 . . . . . . B 48 LYS HD2 . 34317 1 433 . 1 . 1 112 112 LYS HD3 H 1 1.504 0.019 . . . . . . B 48 LYS HD3 . 34317 1 434 . 1 . 1 112 112 LYS HE2 H 1 2.912 0.000 . . . . . . B 48 LYS HE2 . 34317 1 435 . 1 . 1 112 112 LYS HE3 H 1 2.912 0.000 . . . . . . B 48 LYS HE3 . 34317 1 436 . 1 . 1 112 112 LYS CA C 13 54.188 0.033 . . . . . . B 48 LYS CA . 34317 1 437 . 1 . 1 112 112 LYS CB C 13 31.671 0.004 . . . . . . B 48 LYS CB . 34317 1 438 . 1 . 1 112 112 LYS CG C 13 24.599 0.007 . . . . . . B 48 LYS CG . 34317 1 439 . 1 . 1 112 112 LYS CD C 13 28.589 0.000 . . . . . . B 48 LYS CD . 34317 1 440 . 1 . 1 112 112 LYS CE C 13 42.086 0.000 . . . . . . B 48 LYS CE . 34317 1 441 . 1 . 1 112 112 LYS N N 15 129.139 0.007 . . . . . . B 48 LYS N . 34317 1 442 . 1 . 1 113 113 ASN H H 1 8.007 0.011 . . . . . . B 49 ASN H . 34317 1 443 . 1 . 1 113 113 ASN HA H 1 4.880 0.046 . . . . . . B 49 ASN HA . 34317 1 444 . 1 . 1 113 113 ASN HB2 H 1 2.565 0.002 . . . . . . B 49 ASN HB2 . 34317 1 445 . 1 . 1 113 113 ASN HB3 H 1 2.827 0.007 . . . . . . B 49 ASN HB3 . 34317 1 446 . 1 . 1 113 113 ASN HD21 H 1 6.852 0.000 . . . . . . B 49 ASN HD21 . 34317 1 447 . 1 . 1 113 113 ASN HD22 H 1 7.699 0.000 . . . . . . B 49 ASN HD22 . 34317 1 448 . 1 . 1 113 113 ASN CA C 13 52.687 0.000 . . . . . . B 49 ASN CA . 34317 1 449 . 1 . 1 113 113 ASN CB C 13 39.282 0.008 . . . . . . B 49 ASN CB . 34317 1 450 . 1 . 1 113 113 ASN N N 15 119.296 0.008 . . . . . . B 49 ASN N . 34317 1 451 . 1 . 1 113 113 ASN ND2 N 15 111.166 0.012 . . . . . . B 49 ASN ND2 . 34317 1 452 . 1 . 1 119 119 PRO HA H 1 4.804 0.005 . . . . . . B 55 PRO HA . 34317 1 453 . 1 . 1 119 119 PRO HB2 H 1 2.208 0.003 . . . . . . B 55 PRO HB2 . 34317 1 454 . 1 . 1 119 119 PRO HB3 H 1 2.208 0.003 . . . . . . B 55 PRO HB3 . 34317 1 455 . 1 . 1 119 119 PRO HG2 H 1 1.981 0.001 . . . . . . B 55 PRO HG2 . 34317 1 456 . 1 . 1 119 119 PRO HG3 H 1 1.981 0.001 . . . . . . B 55 PRO HG3 . 34317 1 457 . 1 . 1 119 119 PRO HD2 H 1 3.816 0.083 . . . . . . B 55 PRO HD2 . 34317 1 458 . 1 . 1 119 119 PRO HD3 H 1 3.845 0.084 . . . . . . B 55 PRO HD3 . 34317 1 459 . 1 . 1 119 119 PRO CB C 13 31.778 0.035 . . . . . . B 55 PRO CB . 34317 1 460 . 1 . 1 119 119 PRO CG C 13 27.517 0.005 . . . . . . B 55 PRO CG . 34317 1 461 . 1 . 1 119 119 PRO CD C 13 50.782 0.010 . . . . . . B 55 PRO CD . 34317 1 462 . 1 . 1 120 120 PHE H H 1 7.633 0.011 . . . . . . B 56 PHE H . 34317 1 463 . 1 . 1 120 120 PHE HA H 1 5.168 0.002 . . . . . . B 56 PHE HA . 34317 1 464 . 1 . 1 120 120 PHE HB2 H 1 2.734 0.007 . . . . . . B 56 PHE HB2 . 34317 1 465 . 1 . 1 120 120 PHE HB3 H 1 3.190 0.007 . . . . . . B 56 PHE HB3 . 34317 1 466 . 1 . 1 120 120 PHE HD1 H 1 6.908 0.015 . . . . . . B 56 PHE HD1 . 34317 1 467 . 1 . 1 120 120 PHE HD2 H 1 6.908 0.015 . . . . . . B 56 PHE HD2 . 34317 1 468 . 1 . 1 120 120 PHE HE1 H 1 7.308 0.012 . . . . . . B 56 PHE HE1 . 34317 1 469 . 1 . 1 120 120 PHE HE2 H 1 7.308 0.012 . . . . . . B 56 PHE HE2 . 34317 1 470 . 1 . 1 120 120 PHE HZ H 1 7.324 0.000 . . . . . . B 56 PHE HZ . 34317 1 471 . 1 . 1 120 120 PHE CA C 13 54.986 0.018 . . . . . . B 56 PHE CA . 34317 1 472 . 1 . 1 120 120 PHE CB C 13 41.622 0.043 . . . . . . B 56 PHE CB . 34317 1 473 . 1 . 1 120 120 PHE CD1 C 13 132.991 0.024 . . . . . . B 56 PHE CD1 . 34317 1 474 . 1 . 1 120 120 PHE CE1 C 13 131.062 0.000 . . . . . . B 56 PHE CE1 . 34317 1 475 . 1 . 1 120 120 PHE CZ C 13 129.643 0.000 . . . . . . B 56 PHE CZ . 34317 1 476 . 1 . 1 120 120 PHE N N 15 114.161 0.011 . . . . . . B 56 PHE N . 34317 1 477 . 1 . 1 121 121 ALA H H 1 9.237 0.010 . . . . . . B 57 ALA H . 34317 1 478 . 1 . 1 121 121 ALA HA H 1 5.255 0.002 . . . . . . B 57 ALA HA . 34317 1 479 . 1 . 1 121 121 ALA HB1 H 1 0.893 0.000 . . . . . . B 57 ALA HB1 . 34317 1 480 . 1 . 1 121 121 ALA HB2 H 1 0.893 0.000 . . . . . . B 57 ALA HB2 . 34317 1 481 . 1 . 1 121 121 ALA HB3 H 1 0.893 0.000 . . . . . . B 57 ALA HB3 . 34317 1 482 . 1 . 1 121 121 ALA CA C 13 49.519 0.000 . . . . . . B 57 ALA CA . 34317 1 483 . 1 . 1 121 121 ALA CB C 13 23.831 0.011 . . . . . . B 57 ALA CB . 34317 1 484 . 1 . 1 121 121 ALA N N 15 120.222 0.000 . . . . . . B 57 ALA N . 34317 1 485 . 1 . 1 122 122 PHE H H 1 8.281 0.017 . . . . . . B 58 PHE H . 34317 1 486 . 1 . 1 122 122 PHE HA H 1 5.770 0.021 . . . . . . B 58 PHE HA . 34317 1 487 . 1 . 1 122 122 PHE HB2 H 1 2.913 0.012 . . . . . . B 58 PHE HB2 . 34317 1 488 . 1 . 1 122 122 PHE HB3 H 1 2.913 0.012 . . . . . . B 58 PHE HB3 . 34317 1 489 . 1 . 1 122 122 PHE HD1 H 1 7.257 0.019 . . . . . . B 58 PHE HD1 . 34317 1 490 . 1 . 1 122 122 PHE HD2 H 1 7.257 0.019 . . . . . . B 58 PHE HD2 . 34317 1 491 . 1 . 1 122 122 PHE CA C 13 56.239 0.000 . . . . . . B 58 PHE CA . 34317 1 492 . 1 . 1 122 122 PHE CB C 13 41.747 0.040 . . . . . . B 58 PHE CB . 34317 1 493 . 1 . 1 122 122 PHE CD1 C 13 132.106 0.026 . . . . . . B 58 PHE CD1 . 34317 1 494 . 1 . 1 122 122 PHE N N 15 115.661 0.015 . . . . . . B 58 PHE N . 34317 1 495 . 1 . 1 123 123 VAL H H 1 8.731 0.001 . . . . . . B 59 VAL H . 34317 1 496 . 1 . 1 123 123 VAL HA H 1 4.329 0.003 . . . . . . B 59 VAL HA . 34317 1 497 . 1 . 1 123 123 VAL HB H 1 1.417 0.004 . . . . . . B 59 VAL HB . 34317 1 498 . 1 . 1 123 123 VAL HG11 H 1 0.135 0.002 . . . . . . B 59 VAL HG11 . 34317 1 499 . 1 . 1 123 123 VAL HG12 H 1 0.135 0.002 . . . . . . B 59 VAL HG12 . 34317 1 500 . 1 . 1 123 123 VAL HG13 H 1 0.135 0.002 . . . . . . B 59 VAL HG13 . 34317 1 501 . 1 . 1 123 123 VAL HG21 H 1 0.333 0.003 . . . . . . B 59 VAL HG21 . 34317 1 502 . 1 . 1 123 123 VAL HG22 H 1 0.333 0.003 . . . . . . B 59 VAL HG22 . 34317 1 503 . 1 . 1 123 123 VAL HG23 H 1 0.333 0.003 . . . . . . B 59 VAL HG23 . 34317 1 504 . 1 . 1 123 123 VAL CA C 13 61.077 0.010 . . . . . . B 59 VAL CA . 34317 1 505 . 1 . 1 123 123 VAL CB C 13 33.672 0.021 . . . . . . B 59 VAL CB . 34317 1 506 . 1 . 1 123 123 VAL CG1 C 13 21.476 0.002 . . . . . . B 59 VAL CG1 . 34317 1 507 . 1 . 1 123 123 VAL CG2 C 13 21.250 0.009 . . . . . . B 59 VAL CG2 . 34317 1 508 . 1 . 1 123 123 VAL N N 15 124.759 0.020 . . . . . . B 59 VAL N . 34317 1 509 . 1 . 1 124 124 GLU H H 1 8.856 0.004 . . . . . . B 60 GLU H . 34317 1 510 . 1 . 1 124 124 GLU HA H 1 5.151 0.001 . . . . . . B 60 GLU HA . 34317 1 511 . 1 . 1 124 124 GLU HB2 H 1 1.869 0.007 . . . . . . B 60 GLU HB2 . 34317 1 512 . 1 . 1 124 124 GLU HB3 H 1 1.970 0.002 . . . . . . B 60 GLU HB3 . 34317 1 513 . 1 . 1 124 124 GLU HG2 H 1 2.132 0.013 . . . . . . B 60 GLU HG2 . 34317 1 514 . 1 . 1 124 124 GLU HG3 H 1 2.198 0.000 . . . . . . B 60 GLU HG3 . 34317 1 515 . 1 . 1 124 124 GLU CA C 13 54.555 0.000 . . . . . . B 60 GLU CA . 34317 1 516 . 1 . 1 124 124 GLU CB C 13 32.779 0.054 . . . . . . B 60 GLU CB . 34317 1 517 . 1 . 1 124 124 GLU CG C 13 36.925 0.007 . . . . . . B 60 GLU CG . 34317 1 518 . 1 . 1 124 124 GLU N N 15 127.449 0.162 . . . . . . B 60 GLU N . 34317 1 519 . 1 . 1 125 125 PHE H H 1 8.851 0.001 . . . . . . B 61 PHE H . 34317 1 520 . 1 . 1 125 125 PHE HA H 1 4.893 0.016 . . . . . . B 61 PHE HA . 34317 1 521 . 1 . 1 125 125 PHE HB2 H 1 2.806 0.008 . . . . . . B 61 PHE HB2 . 34317 1 522 . 1 . 1 125 125 PHE HB3 H 1 3.925 0.016 . . . . . . B 61 PHE HB3 . 34317 1 523 . 1 . 1 125 125 PHE HD1 H 1 7.228 0.005 . . . . . . B 61 PHE HD1 . 34317 1 524 . 1 . 1 125 125 PHE HD2 H 1 7.228 0.005 . . . . . . B 61 PHE HD2 . 34317 1 525 . 1 . 1 125 125 PHE HE1 H 1 7.113 0.006 . . . . . . B 61 PHE HE1 . 34317 1 526 . 1 . 1 125 125 PHE HE2 H 1 7.113 0.006 . . . . . . B 61 PHE HE2 . 34317 1 527 . 1 . 1 125 125 PHE CA C 13 58.784 0.000 . . . . . . B 61 PHE CA . 34317 1 528 . 1 . 1 125 125 PHE CB C 13 40.978 0.014 . . . . . . B 61 PHE CB . 34317 1 529 . 1 . 1 125 125 PHE CD1 C 13 131.800 0.015 . . . . . . B 61 PHE CD1 . 34317 1 530 . 1 . 1 125 125 PHE CE1 C 13 130.915 0.000 . . . . . . B 61 PHE CE1 . 34317 1 531 . 1 . 1 125 125 PHE N N 15 127.237 0.013 . . . . . . B 61 PHE N . 34317 1 532 . 1 . 1 126 126 GLU H H 1 8.286 0.000 . . . . . . B 62 GLU H . 34317 1 533 . 1 . 1 126 126 GLU HA H 1 4.276 0.010 . . . . . . B 62 GLU HA . 34317 1 534 . 1 . 1 126 126 GLU HB2 H 1 2.095 0.008 . . . . . . B 62 GLU HB2 . 34317 1 535 . 1 . 1 126 126 GLU HB3 H 1 2.241 0.010 . . . . . . B 62 GLU HB3 . 34317 1 536 . 1 . 1 126 126 GLU HG2 H 1 2.144 0.000 . . . . . . B 62 GLU HG2 . 34317 1 537 . 1 . 1 126 126 GLU HG3 H 1 2.265 0.000 . . . . . . B 62 GLU HG3 . 34317 1 538 . 1 . 1 126 126 GLU CA C 13 58.569 0.000 . . . . . . B 62 GLU CA . 34317 1 539 . 1 . 1 126 126 GLU CB C 13 30.466 0.018 . . . . . . B 62 GLU CB . 34317 1 540 . 1 . 1 126 126 GLU CG C 13 36.738 0.020 . . . . . . B 62 GLU CG . 34317 1 541 . 1 . 1 126 126 GLU N N 15 117.368 0.002 . . . . . . B 62 GLU N . 34317 1 542 . 1 . 1 127 127 ASP H H 1 8.650 0.005 . . . . . . B 63 ASP H . 34317 1 543 . 1 . 1 127 127 ASP HA H 1 5.318 0.002 . . . . . . B 63 ASP HA . 34317 1 544 . 1 . 1 127 127 ASP HB2 H 1 2.550 0.003 . . . . . . B 63 ASP HB2 . 34317 1 545 . 1 . 1 127 127 ASP HB3 H 1 3.035 0.002 . . . . . . B 63 ASP HB3 . 34317 1 546 . 1 . 1 127 127 ASP CA C 13 50.483 0.000 . . . . . . B 63 ASP CA . 34317 1 547 . 1 . 1 127 127 ASP CB C 13 45.454 0.006 . . . . . . B 63 ASP CB . 34317 1 548 . 1 . 1 127 127 ASP N N 15 120.149 0.021 . . . . . . B 63 ASP N . 34317 1 549 . 1 . 1 128 128 PRO HA H 1 4.406 0.000 . . . . . . B 64 PRO HA . 34317 1 550 . 1 . 1 128 128 PRO HB2 H 1 2.040 0.000 . . . . . . B 64 PRO HB2 . 34317 1 551 . 1 . 1 128 128 PRO HB3 H 1 2.316 0.000 . . . . . . B 64 PRO HB3 . 34317 1 552 . 1 . 1 128 128 PRO HG2 H 1 2.054 0.001 . . . . . . B 64 PRO HG2 . 34317 1 553 . 1 . 1 128 128 PRO HG3 H 1 2.092 0.000 . . . . . . B 64 PRO HG3 . 34317 1 554 . 1 . 1 128 128 PRO HD2 H 1 3.727 0.001 . . . . . . B 64 PRO HD2 . 34317 1 555 . 1 . 1 128 128 PRO HD3 H 1 4.040 0.004 . . . . . . B 64 PRO HD3 . 34317 1 556 . 1 . 1 128 128 PRO CA C 13 65.181 0.000 . . . . . . B 64 PRO CA . 34317 1 557 . 1 . 1 128 128 PRO CB C 13 32.385 0.095 . . . . . . B 64 PRO CB . 34317 1 558 . 1 . 1 128 128 PRO CG C 13 27.363 0.053 . . . . . . B 64 PRO CG . 34317 1 559 . 1 . 1 128 128 PRO CD C 13 51.806 0.004 . . . . . . B 64 PRO CD . 34317 1 560 . 1 . 1 129 129 ARG H H 1 8.920 0.007 . . . . . . B 65 ARG H . 34317 1 561 . 1 . 1 129 129 ARG HA H 1 4.171 0.005 . . . . . . B 65 ARG HA . 34317 1 562 . 1 . 1 129 129 ARG HB2 H 1 1.901 0.000 . . . . . . B 65 ARG HB2 . 34317 1 563 . 1 . 1 129 129 ARG HB3 H 1 1.928 0.000 . . . . . . B 65 ARG HB3 . 34317 1 564 . 1 . 1 129 129 ARG HG2 H 1 1.776 0.000 . . . . . . B 65 ARG HG2 . 34317 1 565 . 1 . 1 129 129 ARG HG3 H 1 1.817 0.000 . . . . . . B 65 ARG HG3 . 34317 1 566 . 1 . 1 129 129 ARG HD2 H 1 3.287 0.000 . . . . . . B 65 ARG HD2 . 34317 1 567 . 1 . 1 129 129 ARG HD3 H 1 3.287 0.000 . . . . . . B 65 ARG HD3 . 34317 1 568 . 1 . 1 129 129 ARG CA C 13 58.802 0.000 . . . . . . B 65 ARG CA . 34317 1 569 . 1 . 1 129 129 ARG CB C 13 29.624 0.001 . . . . . . B 65 ARG CB . 34317 1 570 . 1 . 1 129 129 ARG CG C 13 27.084 0.002 . . . . . . B 65 ARG CG . 34317 1 571 . 1 . 1 129 129 ARG N N 15 120.350 0.001 . . . . . . B 65 ARG N . 34317 1 572 . 1 . 1 130 130 ASP H H 1 7.233 0.006 . . . . . . B 66 ASP H . 34317 1 573 . 1 . 1 130 130 ASP HA H 1 4.266 0.083 . . . . . . B 66 ASP HA . 34317 1 574 . 1 . 1 130 130 ASP HB2 H 1 2.461 0.004 . . . . . . B 66 ASP HB2 . 34317 1 575 . 1 . 1 130 130 ASP HB3 H 1 2.875 0.002 . . . . . . B 66 ASP HB3 . 34317 1 576 . 1 . 1 130 130 ASP CA C 13 56.954 0.000 . . . . . . B 66 ASP CA . 34317 1 577 . 1 . 1 130 130 ASP CB C 13 40.153 0.011 . . . . . . B 66 ASP CB . 34317 1 578 . 1 . 1 130 130 ASP N N 15 121.329 0.006 . . . . . . B 66 ASP N . 34317 1 579 . 1 . 1 131 131 ALA H H 1 6.753 0.007 . . . . . . B 67 ALA H . 34317 1 580 . 1 . 1 131 131 ALA HA H 1 3.247 0.012 . . . . . . B 67 ALA HA . 34317 1 581 . 1 . 1 131 131 ALA HB1 H 1 1.545 0.002 . . . . . . B 67 ALA HB1 . 34317 1 582 . 1 . 1 131 131 ALA HB2 H 1 1.545 0.002 . . . . . . B 67 ALA HB2 . 34317 1 583 . 1 . 1 131 131 ALA HB3 H 1 1.545 0.002 . . . . . . B 67 ALA HB3 . 34317 1 584 . 1 . 1 131 131 ALA CA C 13 54.840 0.000 . . . . . . B 67 ALA CA . 34317 1 585 . 1 . 1 131 131 ALA CB C 13 18.268 0.003 . . . . . . B 67 ALA CB . 34317 1 586 . 1 . 1 131 131 ALA N N 15 119.626 0.002 . . . . . . B 67 ALA N . 34317 1 587 . 1 . 1 132 132 GLU H H 1 7.705 0.003 . . . . . . B 68 GLU H . 34317 1 588 . 1 . 1 132 132 GLU HA H 1 4.054 0.004 . . . . . . B 68 GLU HA . 34317 1 589 . 1 . 1 132 132 GLU HB2 H 1 2.271 0.050 . . . . . . B 68 GLU HB2 . 34317 1 590 . 1 . 1 132 132 GLU HB3 H 1 2.347 0.006 . . . . . . B 68 GLU HB3 . 34317 1 591 . 1 . 1 132 132 GLU HG2 H 1 2.479 0.004 . . . . . . B 68 GLU HG2 . 34317 1 592 . 1 . 1 132 132 GLU HG3 H 1 2.615 0.005 . . . . . . B 68 GLU HG3 . 34317 1 593 . 1 . 1 132 132 GLU CA C 13 59.958 0.012 . . . . . . B 68 GLU CA . 34317 1 594 . 1 . 1 132 132 GLU CB C 13 29.647 0.012 . . . . . . B 68 GLU CB . 34317 1 595 . 1 . 1 132 132 GLU CG C 13 36.699 0.027 . . . . . . B 68 GLU CG . 34317 1 596 . 1 . 1 132 132 GLU N N 15 116.244 0.002 . . . . . . B 68 GLU N . 34317 1 597 . 1 . 1 133 133 ASP H H 1 7.936 0.010 . . . . . . B 69 ASP H . 34317 1 598 . 1 . 1 133 133 ASP HA H 1 4.412 0.017 . . . . . . B 69 ASP HA . 34317 1 599 . 1 . 1 133 133 ASP HB2 H 1 2.698 0.088 . . . . . . B 69 ASP HB2 . 34317 1 600 . 1 . 1 133 133 ASP HB3 H 1 2.886 0.112 . . . . . . B 69 ASP HB3 . 34317 1 601 . 1 . 1 133 133 ASP CA C 13 57.134 0.005 . . . . . . B 69 ASP CA . 34317 1 602 . 1 . 1 133 133 ASP CB C 13 40.321 0.084 . . . . . . B 69 ASP CB . 34317 1 603 . 1 . 1 133 133 ASP N N 15 120.671 0.002 . . . . . . B 69 ASP N . 34317 1 604 . 1 . 1 134 134 ALA H H 1 7.810 0.007 . . . . . . B 70 ALA H . 34317 1 605 . 1 . 1 134 134 ALA HA H 1 2.422 0.012 . . . . . . B 70 ALA HA . 34317 1 606 . 1 . 1 134 134 ALA HB1 H 1 1.178 0.004 . . . . . . B 70 ALA HB1 . 34317 1 607 . 1 . 1 134 134 ALA HB2 H 1 1.178 0.004 . . . . . . B 70 ALA HB2 . 34317 1 608 . 1 . 1 134 134 ALA HB3 H 1 1.178 0.004 . . . . . . B 70 ALA HB3 . 34317 1 609 . 1 . 1 134 134 ALA CA C 13 54.441 0.000 . . . . . . B 70 ALA CA . 34317 1 610 . 1 . 1 134 134 ALA CB C 13 19.827 0.000 . . . . . . B 70 ALA CB . 34317 1 611 . 1 . 1 134 134 ALA N N 15 124.376 0.002 . . . . . . B 70 ALA N . 34317 1 612 . 1 . 1 135 135 VAL H H 1 7.637 0.008 . . . . . . B 71 VAL H . 34317 1 613 . 1 . 1 135 135 VAL HA H 1 3.427 0.003 . . . . . . B 71 VAL HA . 34317 1 614 . 1 . 1 135 135 VAL HB H 1 1.952 0.014 . . . . . . B 71 VAL HB . 34317 1 615 . 1 . 1 135 135 VAL HG11 H 1 0.861 0.009 . . . . . . B 71 VAL HG11 . 34317 1 616 . 1 . 1 135 135 VAL HG12 H 1 0.861 0.009 . . . . . . B 71 VAL HG12 . 34317 1 617 . 1 . 1 135 135 VAL HG13 H 1 0.861 0.009 . . . . . . B 71 VAL HG13 . 34317 1 618 . 1 . 1 135 135 VAL HG21 H 1 0.372 0.009 . . . . . . B 71 VAL HG21 . 34317 1 619 . 1 . 1 135 135 VAL HG22 H 1 0.372 0.009 . . . . . . B 71 VAL HG22 . 34317 1 620 . 1 . 1 135 135 VAL HG23 H 1 0.372 0.009 . . . . . . B 71 VAL HG23 . 34317 1 621 . 1 . 1 135 135 VAL CA C 13 66.537 0.004 . . . . . . B 71 VAL CA . 34317 1 622 . 1 . 1 135 135 VAL CB C 13 31.581 0.000 . . . . . . B 71 VAL CB . 34317 1 623 . 1 . 1 135 135 VAL CG1 C 13 21.388 0.015 . . . . . . B 71 VAL CG1 . 34317 1 624 . 1 . 1 135 135 VAL CG2 C 13 23.007 0.002 . . . . . . B 71 VAL CG2 . 34317 1 625 . 1 . 1 135 135 VAL N N 15 118.462 0.003 . . . . . . B 71 VAL N . 34317 1 626 . 1 . 1 136 136 SER H H 1 7.666 0.001 . . . . . . B 72 SER H . 34317 1 627 . 1 . 1 136 136 SER HA H 1 4.299 0.003 . . . . . . B 72 SER HA . 34317 1 628 . 1 . 1 136 136 SER HB2 H 1 4.009 0.000 . . . . . . B 72 SER HB2 . 34317 1 629 . 1 . 1 136 136 SER HB3 H 1 4.027 0.000 . . . . . . B 72 SER HB3 . 34317 1 630 . 1 . 1 136 136 SER CA C 13 60.907 0.000 . . . . . . B 72 SER CA . 34317 1 631 . 1 . 1 136 136 SER CB C 13 63.252 0.015 . . . . . . B 72 SER CB . 34317 1 632 . 1 . 1 136 136 SER N N 15 112.093 0.003 . . . . . . B 72 SER N . 34317 1 633 . 1 . 1 137 137 GLY H H 1 8.323 0.000 . . . . . . B 73 GLY H . 34317 1 634 . 1 . 1 137 137 GLY HA2 H 1 3.842 0.027 . . . . . . B 73 GLY HA2 . 34317 1 635 . 1 . 1 137 137 GLY HA3 H 1 4.209 0.005 . . . . . . B 73 GLY HA3 . 34317 1 636 . 1 . 1 137 137 GLY CA C 13 45.678 0.004 . . . . . . B 73 GLY CA . 34317 1 637 . 1 . 1 137 137 GLY N N 15 106.380 0.001 . . . . . . B 73 GLY N . 34317 1 638 . 1 . 1 138 138 ARG H H 1 8.015 0.005 . . . . . . B 74 ARG H . 34317 1 639 . 1 . 1 138 138 ARG HB2 H 1 1.682 0.008 . . . . . . B 74 ARG HB2 . 34317 1 640 . 1 . 1 138 138 ARG HB3 H 1 2.058 0.033 . . . . . . B 74 ARG HB3 . 34317 1 641 . 1 . 1 138 138 ARG HG2 H 1 0.927 0.010 . . . . . . B 74 ARG HG2 . 34317 1 642 . 1 . 1 138 138 ARG HG3 H 1 0.927 0.010 . . . . . . B 74 ARG HG3 . 34317 1 643 . 1 . 1 138 138 ARG HD2 H 1 2.812 0.040 . . . . . . B 74 ARG HD2 . 34317 1 644 . 1 . 1 138 138 ARG HD3 H 1 2.812 0.040 . . . . . . B 74 ARG HD3 . 34317 1 645 . 1 . 1 138 138 ARG CB C 13 32.593 0.021 . . . . . . B 74 ARG CB . 34317 1 646 . 1 . 1 138 138 ARG CG C 13 26.654 0.013 . . . . . . B 74 ARG CG . 34317 1 647 . 1 . 1 138 138 ARG CD C 13 43.447 0.006 . . . . . . B 74 ARG CD . 34317 1 648 . 1 . 1 138 138 ARG N N 15 116.194 0.003 . . . . . . B 74 ARG N . 34317 1 649 . 1 . 1 139 139 ASP H H 1 7.819 0.012 . . . . . . B 75 ASP H . 34317 1 650 . 1 . 1 139 139 ASP HA H 1 4.588 0.004 . . . . . . B 75 ASP HA . 34317 1 651 . 1 . 1 139 139 ASP HB2 H 1 2.740 0.002 . . . . . . B 75 ASP HB2 . 34317 1 652 . 1 . 1 139 139 ASP HB3 H 1 3.420 0.010 . . . . . . B 75 ASP HB3 . 34317 1 653 . 1 . 1 139 139 ASP CB C 13 41.176 0.012 . . . . . . B 75 ASP CB . 34317 1 654 . 1 . 1 139 139 ASP N N 15 120.240 0.004 . . . . . . B 75 ASP N . 34317 1 655 . 1 . 1 140 140 GLY H H 1 9.018 0.006 . . . . . . B 76 GLY H . 34317 1 656 . 1 . 1 140 140 GLY HA2 H 1 3.684 0.003 . . . . . . B 76 GLY HA2 . 34317 1 657 . 1 . 1 140 140 GLY HA3 H 1 4.311 0.003 . . . . . . B 76 GLY HA3 . 34317 1 658 . 1 . 1 140 140 GLY CA C 13 45.953 0.006 . . . . . . B 76 GLY CA . 34317 1 659 . 1 . 1 140 140 GLY N N 15 117.537 0.001 . . . . . . B 76 GLY N . 34317 1 660 . 1 . 1 141 141 TYR H H 1 8.077 0.003 . . . . . . B 77 TYR H . 34317 1 661 . 1 . 1 141 141 TYR HA H 1 4.303 0.003 . . . . . . B 77 TYR HA . 34317 1 662 . 1 . 1 141 141 TYR HB2 H 1 2.962 0.005 . . . . . . B 77 TYR HB2 . 34317 1 663 . 1 . 1 141 141 TYR HB3 H 1 3.258 0.005 . . . . . . B 77 TYR HB3 . 34317 1 664 . 1 . 1 141 141 TYR HD1 H 1 7.086 0.016 . . . . . . B 77 TYR HD1 . 34317 1 665 . 1 . 1 141 141 TYR HD2 H 1 7.086 0.016 . . . . . . B 77 TYR HD2 . 34317 1 666 . 1 . 1 141 141 TYR HE1 H 1 6.792 0.007 . . . . . . B 77 TYR HE1 . 34317 1 667 . 1 . 1 141 141 TYR HE2 H 1 6.792 0.007 . . . . . . B 77 TYR HE2 . 34317 1 668 . 1 . 1 141 141 TYR CA C 13 58.510 0.015 . . . . . . B 77 TYR CA . 34317 1 669 . 1 . 1 141 141 TYR CB C 13 40.474 0.012 . . . . . . B 77 TYR CB . 34317 1 670 . 1 . 1 141 141 TYR CD1 C 13 132.953 0.005 . . . . . . B 77 TYR CD1 . 34317 1 671 . 1 . 1 141 141 TYR CE1 C 13 118.410 0.022 . . . . . . B 77 TYR CE1 . 34317 1 672 . 1 . 1 141 141 TYR N N 15 122.719 0.004 . . . . . . B 77 TYR N . 34317 1 673 . 1 . 1 142 142 ASP H H 1 7.767 0.001 . . . . . . B 78 ASP H . 34317 1 674 . 1 . 1 142 142 ASP HA H 1 4.582 0.008 . . . . . . B 78 ASP HA . 34317 1 675 . 1 . 1 142 142 ASP HB2 H 1 2.305 0.004 . . . . . . B 78 ASP HB2 . 34317 1 676 . 1 . 1 142 142 ASP HB3 H 1 2.595 0.003 . . . . . . B 78 ASP HB3 . 34317 1 677 . 1 . 1 142 142 ASP CB C 13 41.138 0.009 . . . . . . B 78 ASP CB . 34317 1 678 . 1 . 1 142 142 ASP N N 15 126.685 0.001 . . . . . . B 78 ASP N . 34317 1 679 . 1 . 1 143 143 TYR H H 1 9.113 0.002 . . . . . . B 79 TYR H . 34317 1 680 . 1 . 1 143 143 TYR HA H 1 4.597 0.000 . . . . . . B 79 TYR HA . 34317 1 681 . 1 . 1 143 143 TYR HB2 H 1 2.673 0.003 . . . . . . B 79 TYR HB2 . 34317 1 682 . 1 . 1 143 143 TYR HB3 H 1 3.603 0.005 . . . . . . B 79 TYR HB3 . 34317 1 683 . 1 . 1 143 143 TYR HD1 H 1 7.087 0.006 . . . . . . B 79 TYR HD1 . 34317 1 684 . 1 . 1 143 143 TYR HD2 H 1 7.087 0.006 . . . . . . B 79 TYR HD2 . 34317 1 685 . 1 . 1 143 143 TYR HE1 H 1 6.794 0.004 . . . . . . B 79 TYR HE1 . 34317 1 686 . 1 . 1 143 143 TYR HE2 H 1 6.794 0.004 . . . . . . B 79 TYR HE2 . 34317 1 687 . 1 . 1 143 143 TYR CB C 13 39.036 0.025 . . . . . . B 79 TYR CB . 34317 1 688 . 1 . 1 143 143 TYR CD1 C 13 132.935 0.023 . . . . . . B 79 TYR CD1 . 34317 1 689 . 1 . 1 143 143 TYR CE1 C 13 118.356 0.016 . . . . . . B 79 TYR CE1 . 34317 1 690 . 1 . 1 143 143 TYR N N 15 129.859 0.007 . . . . . . B 79 TYR N . 34317 1 691 . 1 . 1 144 144 ASP H H 1 8.379 0.012 . . . . . . B 80 ASP H . 34317 1 692 . 1 . 1 144 144 ASP HA H 1 4.181 0.004 . . . . . . B 80 ASP HA . 34317 1 693 . 1 . 1 144 144 ASP HB2 H 1 2.343 0.003 . . . . . . B 80 ASP HB2 . 34317 1 694 . 1 . 1 144 144 ASP HB3 H 1 3.057 0.004 . . . . . . B 80 ASP HB3 . 34317 1 695 . 1 . 1 144 144 ASP CA C 13 55.202 0.003 . . . . . . B 80 ASP CA . 34317 1 696 . 1 . 1 144 144 ASP CB C 13 40.194 0.015 . . . . . . B 80 ASP CB . 34317 1 697 . 1 . 1 144 144 ASP N N 15 124.792 0.002 . . . . . . B 80 ASP N . 34317 1 698 . 1 . 1 145 145 GLY H H 1 8.324 0.000 . . . . . . B 81 GLY H . 34317 1 699 . 1 . 1 145 145 GLY HA2 H 1 3.616 0.003 . . . . . . B 81 GLY HA2 . 34317 1 700 . 1 . 1 145 145 GLY HA3 H 1 4.191 0.001 . . . . . . B 81 GLY HA3 . 34317 1 701 . 1 . 1 145 145 GLY CA C 13 45.315 0.006 . . . . . . B 81 GLY CA . 34317 1 702 . 1 . 1 145 145 GLY N N 15 104.234 0.000 . . . . . . B 81 GLY N . 34317 1 703 . 1 . 1 146 146 TYR H H 1 8.056 0.003 . . . . . . B 82 TYR H . 34317 1 704 . 1 . 1 146 146 TYR HA H 1 4.223 0.009 . . . . . . B 82 TYR HA . 34317 1 705 . 1 . 1 146 146 TYR HB2 H 1 3.267 0.010 . . . . . . B 82 TYR HB2 . 34317 1 706 . 1 . 1 146 146 TYR HB3 H 1 3.398 0.002 . . . . . . B 82 TYR HB3 . 34317 1 707 . 1 . 1 146 146 TYR HD1 H 1 7.152 0.004 . . . . . . B 82 TYR HD1 . 34317 1 708 . 1 . 1 146 146 TYR HD2 H 1 7.152 0.004 . . . . . . B 82 TYR HD2 . 34317 1 709 . 1 . 1 146 146 TYR HE1 H 1 6.886 0.003 . . . . . . B 82 TYR HE1 . 34317 1 710 . 1 . 1 146 146 TYR HE2 H 1 6.886 0.003 . . . . . . B 82 TYR HE2 . 34317 1 711 . 1 . 1 146 146 TYR CA C 13 57.891 0.025 . . . . . . B 82 TYR CA . 34317 1 712 . 1 . 1 146 146 TYR CB C 13 37.881 0.040 . . . . . . B 82 TYR CB . 34317 1 713 . 1 . 1 146 146 TYR CD1 C 13 133.952 0.007 . . . . . . B 82 TYR CD1 . 34317 1 714 . 1 . 1 146 146 TYR CE1 C 13 117.857 0.021 . . . . . . B 82 TYR CE1 . 34317 1 715 . 1 . 1 146 146 TYR N N 15 123.519 0.004 . . . . . . B 82 TYR N . 34317 1 716 . 1 . 1 147 147 ARG H H 1 8.238 0.003 . . . . . . B 83 ARG H . 34317 1 717 . 1 . 1 147 147 ARG HA H 1 4.730 0.000 . . . . . . B 83 ARG HA . 34317 1 718 . 1 . 1 147 147 ARG HB2 H 1 1.660 0.004 . . . . . . B 83 ARG HB2 . 34317 1 719 . 1 . 1 147 147 ARG HB3 H 1 1.782 0.002 . . . . . . B 83 ARG HB3 . 34317 1 720 . 1 . 1 147 147 ARG HG2 H 1 1.476 0.000 . . . . . . B 83 ARG HG2 . 34317 1 721 . 1 . 1 147 147 ARG HG3 H 1 1.621 0.043 . . . . . . B 83 ARG HG3 . 34317 1 722 . 1 . 1 147 147 ARG HD2 H 1 3.235 0.048 . . . . . . B 83 ARG HD2 . 34317 1 723 . 1 . 1 147 147 ARG HD3 H 1 3.235 0.048 . . . . . . B 83 ARG HD3 . 34317 1 724 . 1 . 1 147 147 ARG CB C 13 29.236 0.007 . . . . . . B 83 ARG CB . 34317 1 725 . 1 . 1 147 147 ARG CG C 13 27.474 0.014 . . . . . . B 83 ARG CG . 34317 1 726 . 1 . 1 147 147 ARG CD C 13 43.380 0.000 . . . . . . B 83 ARG CD . 34317 1 727 . 1 . 1 147 147 ARG N N 15 122.896 0.003 . . . . . . B 83 ARG N . 34317 1 728 . 1 . 1 148 148 LEU H H 1 9.435 0.002 . . . . . . B 84 LEU H . 34317 1 729 . 1 . 1 148 148 LEU HA H 1 4.588 0.000 . . . . . . B 84 LEU HA . 34317 1 730 . 1 . 1 148 148 LEU HB2 H 1 1.403 0.006 . . . . . . B 84 LEU HB2 . 34317 1 731 . 1 . 1 148 148 LEU HB3 H 1 1.403 0.006 . . . . . . B 84 LEU HB3 . 34317 1 732 . 1 . 1 148 148 LEU HG H 1 1.667 0.003 . . . . . . B 84 LEU HG . 34317 1 733 . 1 . 1 148 148 LEU HD11 H 1 0.964 0.033 . . . . . . B 84 LEU HD11 . 34317 1 734 . 1 . 1 148 148 LEU HD12 H 1 0.964 0.033 . . . . . . B 84 LEU HD12 . 34317 1 735 . 1 . 1 148 148 LEU HD13 H 1 0.964 0.033 . . . . . . B 84 LEU HD13 . 34317 1 736 . 1 . 1 148 148 LEU HD21 H 1 0.996 0.004 . . . . . . B 84 LEU HD21 . 34317 1 737 . 1 . 1 148 148 LEU HD22 H 1 0.996 0.004 . . . . . . B 84 LEU HD22 . 34317 1 738 . 1 . 1 148 148 LEU HD23 H 1 0.996 0.004 . . . . . . B 84 LEU HD23 . 34317 1 739 . 1 . 1 148 148 LEU CB C 13 42.519 0.000 . . . . . . B 84 LEU CB . 34317 1 740 . 1 . 1 148 148 LEU CG C 13 26.748 0.000 . . . . . . B 84 LEU CG . 34317 1 741 . 1 . 1 148 148 LEU CD1 C 13 23.232 0.000 . . . . . . B 84 LEU CD1 . 34317 1 742 . 1 . 1 148 148 LEU CD2 C 13 25.871 0.000 . . . . . . B 84 LEU CD2 . 34317 1 743 . 1 . 1 148 148 LEU N N 15 129.275 0.003 . . . . . . B 84 LEU N . 34317 1 744 . 1 . 1 149 149 ARG H H 1 8.040 0.001 . . . . . . B 85 ARG H . 34317 1 745 . 1 . 1 149 149 ARG HA H 1 5.074 0.003 . . . . . . B 85 ARG HA . 34317 1 746 . 1 . 1 149 149 ARG HB2 H 1 1.759 0.000 . . . . . . B 85 ARG HB2 . 34317 1 747 . 1 . 1 149 149 ARG HB3 H 1 1.844 0.000 . . . . . . B 85 ARG HB3 . 34317 1 748 . 1 . 1 149 149 ARG HG2 H 1 1.729 0.022 . . . . . . B 85 ARG HG2 . 34317 1 749 . 1 . 1 149 149 ARG HG3 H 1 1.834 0.066 . . . . . . B 85 ARG HG3 . 34317 1 750 . 1 . 1 149 149 ARG HD2 H 1 3.398 0.004 . . . . . . B 85 ARG HD2 . 34317 1 751 . 1 . 1 149 149 ARG HD3 H 1 3.398 0.004 . . . . . . B 85 ARG HD3 . 34317 1 752 . 1 . 1 149 149 ARG CA C 13 54.169 0.035 . . . . . . B 85 ARG CA . 34317 1 753 . 1 . 1 149 149 ARG CB C 13 32.066 0.029 . . . . . . B 85 ARG CB . 34317 1 754 . 1 . 1 149 149 ARG CG C 13 27.343 0.002 . . . . . . B 85 ARG CG . 34317 1 755 . 1 . 1 149 149 ARG CD C 13 43.621 0.000 . . . . . . B 85 ARG CD . 34317 1 756 . 1 . 1 149 149 ARG N N 15 123.768 0.005 . . . . . . B 85 ARG N . 34317 1 757 . 1 . 1 150 150 VAL H H 1 9.481 0.007 . . . . . . B 86 VAL H . 34317 1 758 . 1 . 1 150 150 VAL HA H 1 5.498 0.003 . . . . . . B 86 VAL HA . 34317 1 759 . 1 . 1 150 150 VAL HB H 1 2.004 0.005 . . . . . . B 86 VAL HB . 34317 1 760 . 1 . 1 150 150 VAL HG11 H 1 1.065 0.016 . . . . . . B 86 VAL HG11 . 34317 1 761 . 1 . 1 150 150 VAL HG12 H 1 1.065 0.016 . . . . . . B 86 VAL HG12 . 34317 1 762 . 1 . 1 150 150 VAL HG13 H 1 1.065 0.016 . . . . . . B 86 VAL HG13 . 34317 1 763 . 1 . 1 150 150 VAL HG21 H 1 1.041 0.016 . . . . . . B 86 VAL HG21 . 34317 1 764 . 1 . 1 150 150 VAL HG22 H 1 1.041 0.016 . . . . . . B 86 VAL HG22 . 34317 1 765 . 1 . 1 150 150 VAL HG23 H 1 1.041 0.016 . . . . . . B 86 VAL HG23 . 34317 1 766 . 1 . 1 150 150 VAL CA C 13 60.858 0.000 . . . . . . B 86 VAL CA . 34317 1 767 . 1 . 1 150 150 VAL CB C 13 33.825 0.000 . . . . . . B 86 VAL CB . 34317 1 768 . 1 . 1 150 150 VAL CG1 C 13 22.870 0.005 . . . . . . B 86 VAL CG1 . 34317 1 769 . 1 . 1 150 150 VAL CG2 C 13 24.751 0.004 . . . . . . B 86 VAL CG2 . 34317 1 770 . 1 . 1 150 150 VAL N N 15 127.312 0.002 . . . . . . B 86 VAL N . 34317 1 771 . 1 . 1 151 151 GLU H H 1 9.009 0.001 . . . . . . B 87 GLU H . 34317 1 772 . 1 . 1 151 151 GLU HA H 1 4.758 0.007 . . . . . . B 87 GLU HA . 34317 1 773 . 1 . 1 151 151 GLU HB2 H 1 1.939 0.017 . . . . . . B 87 GLU HB2 . 34317 1 774 . 1 . 1 151 151 GLU HB3 H 1 2.289 0.013 . . . . . . B 87 GLU HB3 . 34317 1 775 . 1 . 1 151 151 GLU HG2 H 1 2.062 0.005 . . . . . . B 87 GLU HG2 . 34317 1 776 . 1 . 1 151 151 GLU HG3 H 1 2.285 0.016 . . . . . . B 87 GLU HG3 . 34317 1 777 . 1 . 1 151 151 GLU CB C 13 34.350 0.036 . . . . . . B 87 GLU CB . 34317 1 778 . 1 . 1 151 151 GLU CG C 13 35.230 0.030 . . . . . . B 87 GLU CG . 34317 1 779 . 1 . 1 151 151 GLU N N 15 121.631 0.009 . . . . . . B 87 GLU N . 34317 1 780 . 1 . 1 152 152 PHE H H 1 8.740 0.003 . . . . . . B 88 PHE H . 34317 1 781 . 1 . 1 152 152 PHE HA H 1 5.078 0.006 . . . . . . B 88 PHE HA . 34317 1 782 . 1 . 1 152 152 PHE HB2 H 1 2.882 0.004 . . . . . . B 88 PHE HB2 . 34317 1 783 . 1 . 1 152 152 PHE HB3 H 1 3.323 0.005 . . . . . . B 88 PHE HB3 . 34317 1 784 . 1 . 1 152 152 PHE HD1 H 1 7.524 0.008 . . . . . . B 88 PHE HD1 . 34317 1 785 . 1 . 1 152 152 PHE HD2 H 1 7.524 0.008 . . . . . . B 88 PHE HD2 . 34317 1 786 . 1 . 1 152 152 PHE HE1 H 1 7.293 0.006 . . . . . . B 88 PHE HE1 . 34317 1 787 . 1 . 1 152 152 PHE HE2 H 1 7.293 0.006 . . . . . . B 88 PHE HE2 . 34317 1 788 . 1 . 1 152 152 PHE HZ H 1 7.062 0.004 . . . . . . B 88 PHE HZ . 34317 1 789 . 1 . 1 152 152 PHE CA C 13 57.783 0.035 . . . . . . B 88 PHE CA . 34317 1 790 . 1 . 1 152 152 PHE CD1 C 13 131.946 0.048 . . . . . . B 88 PHE CD1 . 34317 1 791 . 1 . 1 152 152 PHE CE1 C 13 131.791 0.000 . . . . . . B 88 PHE CE1 . 34317 1 792 . 1 . 1 152 152 PHE CZ C 13 129.472 0.000 . . . . . . B 88 PHE CZ . 34317 1 793 . 1 . 1 152 152 PHE N N 15 120.031 0.004 . . . . . . B 88 PHE N . 34317 1 794 . 1 . 1 153 153 PRO HB3 H 1 2.330 0.000 . . . . . . B 89 PRO HB3 . 34317 1 795 . 1 . 1 153 153 PRO HG2 H 1 2.013 0.000 . . . . . . B 89 PRO HG2 . 34317 1 796 . 1 . 1 153 153 PRO HG3 H 1 2.013 0.000 . . . . . . B 89 PRO HG3 . 34317 1 797 . 1 . 1 153 153 PRO HD2 H 1 4.205 0.002 . . . . . . B 89 PRO HD2 . 34317 1 798 . 1 . 1 153 153 PRO HD3 H 1 4.386 0.001 . . . . . . B 89 PRO HD3 . 34317 1 799 . 1 . 1 153 153 PRO CG C 13 28.172 0.000 . . . . . . B 89 PRO CG . 34317 1 800 . 1 . 1 153 153 PRO CD C 13 51.336 0.011 . . . . . . B 89 PRO CD . 34317 1 801 . 2 . 2 1 1 A H1' H 1 5.993 0.003 . . . . . . A 90 A H1' . 34317 1 802 . 2 . 2 1 1 A H2 H 1 8.093 0.001 . . . . . . A 90 A H2 . 34317 1 803 . 2 . 2 1 1 A H2' H 1 4.810 0.028 . . . . . . A 90 A H2' . 34317 1 804 . 2 . 2 1 1 A H3' H 1 4.763 0.002 . . . . . . A 90 A H3' . 34317 1 805 . 2 . 2 1 1 A H4' H 1 4.425 0.003 . . . . . . A 90 A H4' . 34317 1 806 . 2 . 2 1 1 A H5' H 1 4.378 0.001 . . . . . . A 90 A H5' . 34317 1 807 . 2 . 2 1 1 A H8 H 1 8.301 0.004 . . . . . . A 90 A H8 . 34317 1 808 . 2 . 2 2 2 A H1' H 1 6.022 0.007 . . . . . . A 91 A H1' . 34317 1 809 . 2 . 2 2 2 A H2 H 1 8.161 0.003 . . . . . . A 91 A H2 . 34317 1 810 . 2 . 2 2 2 A H2' H 1 4.831 0.001 . . . . . . A 91 A H2' . 34317 1 811 . 2 . 2 2 2 A H3' H 1 4.805 0.013 . . . . . . A 91 A H3' . 34317 1 812 . 2 . 2 2 2 A H4' H 1 4.528 0.063 . . . . . . A 91 A H4' . 34317 1 813 . 2 . 2 2 2 A H5' H 1 4.261 0.002 . . . . . . A 91 A H5' . 34317 1 814 . 2 . 2 2 2 A H8 H 1 8.379 0.004 . . . . . . A 91 A H8 . 34317 1 815 . 2 . 2 3 3 C H1' H 1 6.013 0.004 . . . . . . A 92 C H1' . 34317 1 816 . 2 . 2 3 3 C H2' H 1 4.241 0.000 . . . . . . A 92 C H2' . 34317 1 817 . 2 . 2 3 3 C H3' H 1 4.298 0.001 . . . . . . A 92 C H3' . 34317 1 818 . 2 . 2 3 3 C H4' H 1 4.654 0.002 . . . . . . A 92 C H4' . 34317 1 819 . 2 . 2 3 3 C H5 H 1 5.341 0.003 . . . . . . A 92 C H5 . 34317 1 820 . 2 . 2 3 3 C H6 H 1 7.403 0.005 . . . . . . A 92 C H6 . 34317 1 821 . 2 . 2 4 4 A H1' H 1 6.001 0.002 . . . . . . A 93 A H1' . 34317 1 822 . 2 . 2 4 4 A H2 H 1 8.028 0.001 . . . . . . A 93 A H2 . 34317 1 823 . 2 . 2 4 4 A H2' H 1 4.828 0.003 . . . . . . A 93 A H2' . 34317 1 824 . 2 . 2 4 4 A H3' H 1 4.785 0.001 . . . . . . A 93 A H3' . 34317 1 825 . 2 . 2 4 4 A H4' H 1 4.630 0.040 . . . . . . A 93 A H4' . 34317 1 826 . 2 . 2 4 4 A H5' H 1 4.297 0.001 . . . . . . A 93 A H5' . 34317 1 827 . 2 . 2 4 4 A H5'' H 1 4.240 0.000 . . . . . . A 93 A H5'' . 34317 1 828 . 2 . 2 4 4 A H8 H 1 8.405 0.001 . . . . . . A 93 A H8 . 34317 1 829 . 2 . 2 5 5 A H1' H 1 5.970 0.003 . . . . . . A 94 A H1' . 34317 1 830 . 2 . 2 5 5 A H2 H 1 8.066 0.036 . . . . . . A 94 A H2 . 34317 1 831 . 2 . 2 5 5 A H2' H 1 4.818 0.003 . . . . . . A 94 A H2' . 34317 1 832 . 2 . 2 5 5 A H3' H 1 4.696 0.001 . . . . . . A 94 A H3' . 34317 1 833 . 2 . 2 5 5 A H4' H 1 4.559 0.002 . . . . . . A 94 A H4' . 34317 1 834 . 2 . 2 5 5 A H5' H 1 4.382 0.002 . . . . . . A 94 A H5' . 34317 1 835 . 2 . 2 5 5 A H5'' H 1 4.267 0.002 . . . . . . A 94 A H5'' . 34317 1 836 . 2 . 2 5 5 A H8 H 1 8.291 0.004 . . . . . . A 94 A H8 . 34317 1 837 . 2 . 2 6 6 A H1' H 1 6.051 0.003 . . . . . . A 95 A H1' . 34317 1 838 . 2 . 2 6 6 A H2 H 1 8.182 0.003 . . . . . . A 95 A H2 . 34317 1 839 . 2 . 2 6 6 A H2' H 1 4.610 0.003 . . . . . . A 95 A H2' . 34317 1 840 . 2 . 2 6 6 A H3' H 1 4.530 0.003 . . . . . . A 95 A H3' . 34317 1 841 . 2 . 2 6 6 A H4' H 1 4.409 0.002 . . . . . . A 95 A H4' . 34317 1 842 . 2 . 2 6 6 A H5' H 1 4.377 0.001 . . . . . . A 95 A H5' . 34317 1 843 . 2 . 2 6 6 A H5'' H 1 4.268 0.000 . . . . . . A 95 A H5'' . 34317 1 844 . 2 . 2 6 6 A H8 H 1 8.326 0.001 . . . . . . A 95 A H8 . 34317 1 stop_ save_