data_36001 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36001 _Entry.Title ; Structure model of a protein-DNA complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-07 _Entry.Accession_date 2016-07-05 _Entry.Last_release_date 2016-07-05 _Entry.Original_release_date 2016-07-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Jin C. . . . 36001 2 Y. Hu Y. . . . 36001 3 J. Ding J. . . . 36001 4 Y. Zhang Y. . . . 36001 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA . 36001 'DNA BINDING PROTEIN-DNA complex' . 36001 complex . 36001 interaction . 36001 protein . 36001 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36001 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 36001 '15N chemical shifts' 98 36001 '1H chemical shifts' 612 36001 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 . . 2017-06-27 2017-02-01 update BMRB 'update entry citation' 36001 1 . . 2017-02-20 2017-02-01 original author 'original release' 36001 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5B7J 'BMRB Entry Tracking System' 36001 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36001 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28223353 _Citation.Full_citation . _Citation.Title ; Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 292 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 6056 _Citation.Page_last 6075 _Citation.Year 2017 _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 Ling Guan L. . . . 36001 1 2 Peng He P. . . . 36001 1 3 Fang Yang F. . . . 36001 1 4 Yuan Zhang Y. . . . 36001 1 5 Yunfei Hu Y. . . . 36001 1 6 Jienv Ding J. . . . 36001 1 7 Yu Hua Y. . . . 36001 1 8 Yi Zhang Y. . . . 36001 1 9 Qiong Ye Q. . . . 36001 1 10 Jiazhi Hu J. . . . 36001 1 11 Tao Wang T. . . . 36001 1 12 Changwen Jin C. . . . 36001 1 13 Daochun Kong D. . . . 36001 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36001 _Assembly.ID 1 _Assembly.Name 'Switch-activating protein 1/DNA 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 A yes . . . . . . 36001 1 2 entity_2 2 $entity_2 B B no . . . . . . 36001 1 3 entity_3 3 $entity_3 C C no . . . . . . 36001 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36001 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AKAQRTHLSLEEKIKLMRLV VRHKHELVDRKTSEFYAKIA RIGYEDEGLAIHTESACRNQ IISIMRVYEQRLAHRQPGMK TTPEEDELDQLCDEWKARLS ELQQYREKFLV ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 25-135' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13248.225 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 25 ALA . 36001 1 2 26 LYS . 36001 1 3 27 ALA . 36001 1 4 28 GLN . 36001 1 5 29 ARG . 36001 1 6 30 THR . 36001 1 7 31 HIS . 36001 1 8 32 LEU . 36001 1 9 33 SER . 36001 1 10 34 LEU . 36001 1 11 35 GLU . 36001 1 12 36 GLU . 36001 1 13 37 LYS . 36001 1 14 38 ILE . 36001 1 15 39 LYS . 36001 1 16 40 LEU . 36001 1 17 41 MET . 36001 1 18 42 ARG . 36001 1 19 43 LEU . 36001 1 20 44 VAL . 36001 1 21 45 VAL . 36001 1 22 46 ARG . 36001 1 23 47 HIS . 36001 1 24 48 LYS . 36001 1 25 49 HIS . 36001 1 26 50 GLU . 36001 1 27 51 LEU . 36001 1 28 52 VAL . 36001 1 29 53 ASP . 36001 1 30 54 ARG . 36001 1 31 55 LYS . 36001 1 32 56 THR . 36001 1 33 57 SER . 36001 1 34 58 GLU . 36001 1 35 59 PHE . 36001 1 36 60 TYR . 36001 1 37 61 ALA . 36001 1 38 62 LYS . 36001 1 39 63 ILE . 36001 1 40 64 ALA . 36001 1 41 65 ARG . 36001 1 42 66 ILE . 36001 1 43 67 GLY . 36001 1 44 68 TYR . 36001 1 45 69 GLU . 36001 1 46 70 ASP . 36001 1 47 71 GLU . 36001 1 48 72 GLY . 36001 1 49 73 LEU . 36001 1 50 74 ALA . 36001 1 51 75 ILE . 36001 1 52 76 HIS . 36001 1 53 77 THR . 36001 1 54 78 GLU . 36001 1 55 79 SER . 36001 1 56 80 ALA . 36001 1 57 81 CYS . 36001 1 58 82 ARG . 36001 1 59 83 ASN . 36001 1 60 84 GLN . 36001 1 61 85 ILE . 36001 1 62 86 ILE . 36001 1 63 87 SER . 36001 1 64 88 ILE . 36001 1 65 89 MET . 36001 1 66 90 ARG . 36001 1 67 91 VAL . 36001 1 68 92 TYR . 36001 1 69 93 GLU . 36001 1 70 94 GLN . 36001 1 71 95 ARG . 36001 1 72 96 LEU . 36001 1 73 97 ALA . 36001 1 74 98 HIS . 36001 1 75 99 ARG . 36001 1 76 100 GLN . 36001 1 77 101 PRO . 36001 1 78 102 GLY . 36001 1 79 103 MET . 36001 1 80 104 LYS . 36001 1 81 105 THR . 36001 1 82 106 THR . 36001 1 83 107 PRO . 36001 1 84 108 GLU . 36001 1 85 109 GLU . 36001 1 86 110 ASP . 36001 1 87 111 GLU . 36001 1 88 112 LEU . 36001 1 89 113 ASP . 36001 1 90 114 GLN . 36001 1 91 115 LEU . 36001 1 92 116 CYS . 36001 1 93 117 ASP . 36001 1 94 118 GLU . 36001 1 95 119 TRP . 36001 1 96 120 LYS . 36001 1 97 121 ALA . 36001 1 98 122 ARG . 36001 1 99 123 LEU . 36001 1 100 124 SER . 36001 1 101 125 GLU . 36001 1 102 126 LEU . 36001 1 103 127 GLN . 36001 1 104 128 GLN . 36001 1 105 129 TYR . 36001 1 106 130 ARG . 36001 1 107 131 GLU . 36001 1 108 132 LYS . 36001 1 109 133 PHE . 36001 1 110 134 LEU . 36001 1 111 135 VAL . 36001 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 . ALA 1 1 36001 1 . LYS 2 2 36001 1 . ALA 3 3 36001 1 . GLN 4 4 36001 1 . ARG 5 5 36001 1 . THR 6 6 36001 1 . HIS 7 7 36001 1 . LEU 8 8 36001 1 . SER 9 9 36001 1 . LEU 10 10 36001 1 . GLU 11 11 36001 1 . GLU 12 12 36001 1 . LYS 13 13 36001 1 . ILE 14 14 36001 1 . LYS 15 15 36001 1 . LEU 16 16 36001 1 . MET 17 17 36001 1 . ARG 18 18 36001 1 . LEU 19 19 36001 1 . VAL 20 20 36001 1 . VAL 21 21 36001 1 . ARG 22 22 36001 1 . HIS 23 23 36001 1 . LYS 24 24 36001 1 . HIS 25 25 36001 1 . GLU 26 26 36001 1 . LEU 27 27 36001 1 . VAL 28 28 36001 1 . ASP 29 29 36001 1 . ARG 30 30 36001 1 . LYS 31 31 36001 1 . THR 32 32 36001 1 . SER 33 33 36001 1 . GLU 34 34 36001 1 . PHE 35 35 36001 1 . TYR 36 36 36001 1 . ALA 37 37 36001 1 . LYS 38 38 36001 1 . ILE 39 39 36001 1 . ALA 40 40 36001 1 . ARG 41 41 36001 1 . ILE 42 42 36001 1 . GLY 43 43 36001 1 . TYR 44 44 36001 1 . GLU 45 45 36001 1 . ASP 46 46 36001 1 . GLU 47 47 36001 1 . GLY 48 48 36001 1 . LEU 49 49 36001 1 . ALA 50 50 36001 1 . ILE 51 51 36001 1 . HIS 52 52 36001 1 . THR 53 53 36001 1 . GLU 54 54 36001 1 . SER 55 55 36001 1 . ALA 56 56 36001 1 . CYS 57 57 36001 1 . ARG 58 58 36001 1 . ASN 59 59 36001 1 . GLN 60 60 36001 1 . ILE 61 61 36001 1 . ILE 62 62 36001 1 . SER 63 63 36001 1 . ILE 64 64 36001 1 . MET 65 65 36001 1 . ARG 66 66 36001 1 . VAL 67 67 36001 1 . TYR 68 68 36001 1 . GLU 69 69 36001 1 . GLN 70 70 36001 1 . ARG 71 71 36001 1 . LEU 72 72 36001 1 . ALA 73 73 36001 1 . HIS 74 74 36001 1 . ARG 75 75 36001 1 . GLN 76 76 36001 1 . PRO 77 77 36001 1 . GLY 78 78 36001 1 . MET 79 79 36001 1 . LYS 80 80 36001 1 . THR 81 81 36001 1 . THR 82 82 36001 1 . PRO 83 83 36001 1 . GLU 84 84 36001 1 . GLU 85 85 36001 1 . ASP 86 86 36001 1 . GLU 87 87 36001 1 . LEU 88 88 36001 1 . ASP 89 89 36001 1 . GLN 90 90 36001 1 . LEU 91 91 36001 1 . CYS 92 92 36001 1 . ASP 93 93 36001 1 . GLU 94 94 36001 1 . TRP 95 95 36001 1 . LYS 96 96 36001 1 . ALA 97 97 36001 1 . ARG 98 98 36001 1 . LEU 99 99 36001 1 . SER 100 100 36001 1 . GLU 101 101 36001 1 . LEU 102 102 36001 1 . GLN 103 103 36001 1 . GLN 104 104 36001 1 . TYR 105 105 36001 1 . ARG 106 106 36001 1 . GLU 107 107 36001 1 . LYS 108 108 36001 1 . PHE 109 109 36001 1 . LEU 110 110 36001 1 . VAL 111 111 36001 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 36001 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CAAAACAATATT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3638.432 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 DC . 36001 2 2 2 DA . 36001 2 3 3 DA . 36001 2 4 4 DA . 36001 2 5 5 DA . 36001 2 6 6 DC . 36001 2 7 7 DA . 36001 2 8 8 DA . 36001 2 9 9 DT . 36001 2 10 10 DA . 36001 2 11 11 DT . 36001 2 12 12 DT . 36001 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 . DC 1 1 36001 2 . DA 2 2 36001 2 . DA 3 3 36001 2 . DA 4 4 36001 2 . DA 5 5 36001 2 . DC 6 6 36001 2 . DA 7 7 36001 2 . DA 8 8 36001 2 . DT 9 9 36001 2 . DA 10 10 36001 2 . DT 11 11 36001 2 . DT 12 12 36001 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 36001 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AATATTGTTTTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3682.424 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 DA . 36001 3 2 2 DA . 36001 3 3 3 DT . 36001 3 4 4 DA . 36001 3 5 5 DT . 36001 3 6 6 DT . 36001 3 7 7 DG . 36001 3 8 8 DT . 36001 3 9 9 DT . 36001 3 10 10 DT . 36001 3 11 11 DT . 36001 3 12 12 DG . 36001 3 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 . DA 1 1 36001 3 . DA 2 2 36001 3 . DT 3 3 36001 3 . DA 4 4 36001 3 . DT 5 5 36001 3 . DT 6 6 36001 3 . DG 7 7 36001 3 . DT 8 8 36001 3 . DT 9 9 36001 3 . DT 10 10 36001 3 . DT 11 11 36001 3 . DG 12 12 36001 3 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 36001 _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 . 284812 . . 'Schizosaccharomyces pombe (strain 972 / ATCC 24843)' 'Fission yeast' . . Eukaryota Fungi Schizosaccharomyces 'Schizosaccharomyces pombe' '972 / ATCC 24843' . . . . . . . . . . 'sap1, SPCC1672.02c' . 36001 1 2 2 $entity_2 . 4896 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 36001 1 3 3 $entity_3 . 4896 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 36001 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 36001 _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 . . . vector . . . . . . 36001 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 36001 1 3 3 $entity_3 . 'chemical synthesis' . . . . . . . . . . . . . . . . 36001 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36001 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 15N][U-99% 13C; U-99% 15N] Sap1, 20 mM sodium phosphate, 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 Sap1 '[U-99% 15N][U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 36001 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 36001 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36001 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.5 mM [U-99% 13C; U-99% 15N] Sap1, 0.7 mM DNA (5'-CAAAACAATATT-3'), 20 mM sodium phosphate, 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 "DNA (5'-CAAAACAATATT-3')" 'natural abundance' . . 2 $entity_2 . . 0.7 . . mM . . . . 36001 2 2 "DNA (5'-GTTTTGTTATAA-3')" 'natural abundance' . . 3 $entity_3 . . . . . mM . . . . 36001 2 3 Sap1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 36001 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 36001 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36001 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.5 mM DNA (5'-CAAAACAATATT-3'), 20 mM sodium phosphate, 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 "DNA (5'-CAAAACAATATT-3')" 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 36001 3 2 "DNA (5'-GTTTTGTTATAA-3')" 'natural abundance' . . 3 $entity_3 . . . . . mM . . . . 36001 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 36001 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 36001 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 36001 1 pH 6.0 . pH 36001 1 pressure 1 . atm 36001 1 temperature 298 . K 36001 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36001 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36001 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36001 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36001 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36001 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36001 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36001 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36001 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36001 3 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 36001 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36001 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 36001 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 36001 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 500 . . . 36001 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 36001 1 3 NMR_spectrometer_3 Bruker Avance . 950 . . . 36001 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 36001 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 36001 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 36001 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 36001 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 11 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 12 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36001 1 13 '3D filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 36001 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 36001 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 36001 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36001 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 36001 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 36001 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 2 '3D 1H-15N NOESY' . . . 36001 1 3 '3D 1H-13C NOESY' . . . 36001 1 5 '3D CBCA(CO)NH' . . . 36001 1 6 '3D HNCACB' . . . 36001 1 11 '3D HNCA' . . . 36001 1 12 '3D HNCO' . . . 36001 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 36001 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.286 . . . . . . A 25 ALA HA . 36001 1 2 . 1 1 1 1 ALA HB1 H 1 1.372 . . . . . . A 25 ALA HB1 . 36001 1 3 . 1 1 1 1 ALA HB2 H 1 1.372 . . . . . . A 25 ALA HB2 . 36001 1 4 . 1 1 1 1 ALA HB3 H 1 1.372 . . . . . . A 25 ALA HB3 . 36001 1 5 . 1 1 1 1 ALA C C 13 177.733 . . . . . . A 25 ALA C . 36001 1 6 . 1 1 1 1 ALA CA C 13 52.590 . . . . . . A 25 ALA CA . 36001 1 7 . 1 1 1 1 ALA CB C 13 19.330 . . . . . . A 25 ALA CB . 36001 1 8 . 1 1 2 2 LYS H H 1 8.246 . . . . . . A 26 LYS H . 36001 1 9 . 1 1 2 2 LYS HA H 1 4.290 . . . . . . A 26 LYS HA . 36001 1 10 . 1 1 2 2 LYS HB2 H 1 1.761 . . . . . . A 26 LYS HB2 . 36001 1 11 . 1 1 2 2 LYS HB3 H 1 1.832 . . . . . . A 26 LYS HB3 . 36001 1 12 . 1 1 2 2 LYS HG2 H 1 1.440 . . . . . . A 26 LYS HG2 . 36001 1 13 . 1 1 2 2 LYS HG3 H 1 1.490 . . . . . . A 26 LYS HG3 . 36001 1 14 . 1 1 2 2 LYS HD3 H 1 1.699 . . . . . . A 26 LYS HD3 . 36001 1 15 . 1 1 2 2 LYS HE3 H 1 3.006 . . . . . . A 26 LYS HE3 . 36001 1 16 . 1 1 2 2 LYS C C 13 176.314 . . . . . . A 26 LYS C . 36001 1 17 . 1 1 2 2 LYS CA C 13 56.100 . . . . . . A 26 LYS CA . 36001 1 18 . 1 1 2 2 LYS CB C 13 33.160 . . . . . . A 26 LYS CB . 36001 1 19 . 1 1 2 2 LYS CG C 13 24.782 . . . . . . A 26 LYS CG . 36001 1 20 . 1 1 2 2 LYS CD C 13 29.038 . . . . . . A 26 LYS CD . 36001 1 21 . 1 1 2 2 LYS CE C 13 42.201 . . . . . . A 26 LYS CE . 36001 1 22 . 1 1 2 2 LYS N N 15 121.660 . . . . . . A 26 LYS N . 36001 1 23 . 1 1 3 3 ALA H H 1 8.490 . . . . . . A 27 ALA H . 36001 1 24 . 1 1 3 3 ALA HA H 1 4.290 . . . . . . A 27 ALA HA . 36001 1 25 . 1 1 3 3 ALA HB1 H 1 1.380 . . . . . . A 27 ALA HB1 . 36001 1 26 . 1 1 3 3 ALA HB2 H 1 1.380 . . . . . . A 27 ALA HB2 . 36001 1 27 . 1 1 3 3 ALA HB3 H 1 1.380 . . . . . . A 27 ALA HB3 . 36001 1 28 . 1 1 3 3 ALA C C 13 177.386 . . . . . . A 27 ALA C . 36001 1 29 . 1 1 3 3 ALA CA C 13 52.370 . . . . . . A 27 ALA CA . 36001 1 30 . 1 1 3 3 ALA CB C 13 19.410 . . . . . . A 27 ALA CB . 36001 1 31 . 1 1 3 3 ALA N N 15 126.690 . . . . . . A 27 ALA N . 36001 1 32 . 1 1 4 4 GLN H H 1 8.339 . . . . . . A 28 GLN H . 36001 1 33 . 1 1 4 4 GLN HA H 1 4.369 . . . . . . A 28 GLN HA . 36001 1 34 . 1 1 4 4 GLN HB2 H 1 1.931 . . . . . . A 28 GLN HB2 . 36001 1 35 . 1 1 4 4 GLN HB3 H 1 2.047 . . . . . . A 28 GLN HB3 . 36001 1 36 . 1 1 4 4 GLN HG3 H 1 2.378 . . . . . . A 28 GLN HG3 . 36001 1 37 . 1 1 4 4 GLN C C 13 174.818 . . . . . . A 28 GLN C . 36001 1 38 . 1 1 4 4 GLN CA C 13 55.719 . . . . . . A 28 GLN CA . 36001 1 39 . 1 1 4 4 GLN CB C 13 30.350 . . . . . . A 28 GLN CB . 36001 1 40 . 1 1 4 4 GLN CG C 13 34.075 . . . . . . A 28 GLN CG . 36001 1 41 . 1 1 4 4 GLN N N 15 120.950 . . . . . . A 28 GLN N . 36001 1 42 . 1 1 5 5 ARG H H 1 8.645 . . . . . . A 29 ARG H . 36001 1 43 . 1 1 5 5 ARG HA H 1 4.303 . . . . . . A 29 ARG HA . 36001 1 44 . 1 1 5 5 ARG HB2 H 1 1.923 . . . . . . A 29 ARG HB2 . 36001 1 45 . 1 1 5 5 ARG HB3 H 1 2.052 . . . . . . A 29 ARG HB3 . 36001 1 46 . 1 1 5 5 ARG HG3 H 1 1.680 . . . . . . A 29 ARG HG3 . 36001 1 47 . 1 1 5 5 ARG HD3 H 1 3.243 . . . . . . A 29 ARG HD3 . 36001 1 48 . 1 1 5 5 ARG C C 13 173.183 . . . . . . A 29 ARG C . 36001 1 49 . 1 1 5 5 ARG CA C 13 56.317 . . . . . . A 29 ARG CA . 36001 1 50 . 1 1 5 5 ARG CB C 13 30.420 . . . . . . A 29 ARG CB . 36001 1 51 . 1 1 5 5 ARG CG C 13 27.500 . . . . . . A 29 ARG CG . 36001 1 52 . 1 1 5 5 ARG CD C 13 43.491 . . . . . . A 29 ARG CD . 36001 1 53 . 1 1 5 5 ARG N N 15 124.060 . . . . . . A 29 ARG N . 36001 1 54 . 1 1 6 6 THR HA H 1 4.181 . . . . . . A 30 THR HA . 36001 1 55 . 1 1 6 6 THR HB H 1 4.087 . . . . . . A 30 THR HB . 36001 1 56 . 1 1 6 6 THR HG21 H 1 1.109 . . . . . . A 30 THR HG21 . 36001 1 57 . 1 1 6 6 THR HG22 H 1 1.109 . . . . . . A 30 THR HG22 . 36001 1 58 . 1 1 6 6 THR HG23 H 1 1.109 . . . . . . A 30 THR HG23 . 36001 1 59 . 1 1 6 6 THR CA C 13 63.280 . . . . . . A 30 THR CA . 36001 1 60 . 1 1 6 6 THR CB C 13 69.650 . . . . . . A 30 THR CB . 36001 1 61 . 1 1 6 6 THR CG2 C 13 21.760 . . . . . . A 30 THR CG2 . 36001 1 62 . 1 1 7 7 HIS H H 1 8.647 . . . . . . A 31 HIS H . 36001 1 63 . 1 1 7 7 HIS HA H 1 4.941 . . . . . . A 31 HIS HA . 36001 1 64 . 1 1 7 7 HIS HB2 H 1 3.091 . . . . . . A 31 HIS HB2 . 36001 1 65 . 1 1 7 7 HIS HB3 H 1 3.211 . . . . . . A 31 HIS HB3 . 36001 1 66 . 1 1 7 7 HIS HD2 H 1 7.231 . . . . . . A 31 HIS HD2 . 36001 1 67 . 1 1 7 7 HIS HE1 H 1 8.492 . . . . . . A 31 HIS HE1 . 36001 1 68 . 1 1 7 7 HIS CA C 13 54.528 . . . . . . A 31 HIS CA . 36001 1 69 . 1 1 7 7 HIS CB C 13 29.620 . . . . . . A 31 HIS CB . 36001 1 70 . 1 1 7 7 HIS CD2 C 13 120.066 . . . . . . A 31 HIS CD2 . 36001 1 71 . 1 1 7 7 HIS CE1 C 13 137.166 . . . . . . A 31 HIS CE1 . 36001 1 72 . 1 1 7 7 HIS N N 15 124.700 . . . . . . A 31 HIS N . 36001 1 73 . 1 1 8 8 LEU H H 1 9.147 . . . . . . A 32 LEU H . 36001 1 74 . 1 1 8 8 LEU HA H 1 4.935 . . . . . . A 32 LEU HA . 36001 1 75 . 1 1 8 8 LEU HB3 H 1 1.556 . . . . . . A 32 LEU HB3 . 36001 1 76 . 1 1 8 8 LEU CA C 13 54.048 . . . . . . A 32 LEU CA . 36001 1 77 . 1 1 8 8 LEU CB C 13 43.168 . . . . . . A 32 LEU CB . 36001 1 78 . 1 1 8 8 LEU N N 15 126.773 . . . . . . A 32 LEU N . 36001 1 79 . 1 1 9 9 SER H H 1 9.340 . . . . . . A 33 SER H . 36001 1 80 . 1 1 9 9 SER HA H 1 4.490 . . . . . . A 33 SER HA . 36001 1 81 . 1 1 9 9 SER HB2 H 1 4.063 . . . . . . A 33 SER HB2 . 36001 1 82 . 1 1 9 9 SER C C 13 174.793 . . . . . . A 33 SER C . 36001 1 83 . 1 1 9 9 SER CA C 13 57.180 . . . . . . A 33 SER CA . 36001 1 84 . 1 1 9 9 SER CB C 13 65.540 . . . . . . A 33 SER CB . 36001 1 85 . 1 1 9 9 SER N N 15 120.480 . . . . . . A 33 SER N . 36001 1 86 . 1 1 10 10 LEU H H 1 8.910 . . . . . . A 34 LEU H . 36001 1 87 . 1 1 10 10 LEU HA H 1 4.040 . . . . . . A 34 LEU HA . 36001 1 88 . 1 1 10 10 LEU HB2 H 1 1.710 . . . . . . A 34 LEU HB2 . 36001 1 89 . 1 1 10 10 LEU HB3 H 1 1.810 . . . . . . A 34 LEU HB3 . 36001 1 90 . 1 1 10 10 LEU HG H 1 0.903 . . . . . . A 34 LEU HG . 36001 1 91 . 1 1 10 10 LEU HD11 H 1 0.961 . . . . . . A 34 LEU HD11 . 36001 1 92 . 1 1 10 10 LEU HD12 H 1 0.961 . . . . . . A 34 LEU HD12 . 36001 1 93 . 1 1 10 10 LEU HD13 H 1 0.961 . . . . . . A 34 LEU HD13 . 36001 1 94 . 1 1 10 10 LEU C C 13 178.182 . . . . . . A 34 LEU C . 36001 1 95 . 1 1 10 10 LEU CA C 13 59.380 . . . . . . A 34 LEU CA . 36001 1 96 . 1 1 10 10 LEU CB C 13 41.090 . . . . . . A 34 LEU CB . 36001 1 97 . 1 1 10 10 LEU CG C 13 26.566 . . . . . . A 34 LEU CG . 36001 1 98 . 1 1 10 10 LEU CD1 C 13 23.915 . . . . . . A 34 LEU CD1 . 36001 1 99 . 1 1 10 10 LEU N N 15 123.690 . . . . . . A 34 LEU N . 36001 1 100 . 1 1 11 11 GLU H H 1 8.650 . . . . . . A 35 GLU H . 36001 1 101 . 1 1 11 11 GLU HA H 1 3.910 . . . . . . A 35 GLU HA . 36001 1 102 . 1 1 11 11 GLU HB2 H 1 1.950 . . . . . . A 35 GLU HB2 . 36001 1 103 . 1 1 11 11 GLU HB3 H 1 2.115 . . . . . . A 35 GLU HB3 . 36001 1 104 . 1 1 11 11 GLU HG3 H 1 2.318 . . . . . . A 35 GLU HG3 . 36001 1 105 . 1 1 11 11 GLU C C 13 179.620 . . . . . . A 35 GLU C . 36001 1 106 . 1 1 11 11 GLU CA C 13 60.230 . . . . . . A 35 GLU CA . 36001 1 107 . 1 1 11 11 GLU CB C 13 29.260 . . . . . . A 35 GLU CB . 36001 1 108 . 1 1 11 11 GLU CG C 13 36.820 . . . . . . A 35 GLU CG . 36001 1 109 . 1 1 11 11 GLU N N 15 117.240 . . . . . . A 35 GLU N . 36001 1 110 . 1 1 12 12 GLU H H 1 7.713 . . . . . . A 36 GLU H . 36001 1 111 . 1 1 12 12 GLU C C 13 177.989 . . . . . . A 36 GLU C . 36001 1 112 . 1 1 12 12 GLU CA C 13 59.650 . . . . . . A 36 GLU CA . 36001 1 113 . 1 1 12 12 GLU CB C 13 30.527 . . . . . . A 36 GLU CB . 36001 1 114 . 1 1 12 12 GLU N N 15 120.320 . . . . . . A 36 GLU N . 36001 1 115 . 1 1 13 13 LYS H H 1 8.723 . . . . . . A 37 LYS H . 36001 1 116 . 1 1 13 13 LYS HA H 1 3.793 . . . . . . A 37 LYS HA . 36001 1 117 . 1 1 13 13 LYS C C 13 178.666 . . . . . . A 37 LYS C . 36001 1 118 . 1 1 13 13 LYS CA C 13 60.930 . . . . . . A 37 LYS CA . 36001 1 119 . 1 1 13 13 LYS CB C 13 33.170 . . . . . . A 37 LYS CB . 36001 1 120 . 1 1 13 13 LYS N N 15 121.750 . . . . . . A 37 LYS N . 36001 1 121 . 1 1 14 14 ILE H H 1 8.136 . . . . . . A 38 ILE H . 36001 1 122 . 1 1 14 14 ILE HA H 1 3.400 . . . . . . A 38 ILE HA . 36001 1 123 . 1 1 14 14 ILE HB H 1 1.890 . . . . . . A 38 ILE HB . 36001 1 124 . 1 1 14 14 ILE HG13 H 1 1.870 . . . . . . A 38 ILE HG13 . 36001 1 125 . 1 1 14 14 ILE HG21 H 1 0.738 . . . . . . A 38 ILE HG21 . 36001 1 126 . 1 1 14 14 ILE HG22 H 1 0.738 . . . . . . A 38 ILE HG22 . 36001 1 127 . 1 1 14 14 ILE HG23 H 1 0.738 . . . . . . A 38 ILE HG23 . 36001 1 128 . 1 1 14 14 ILE HD11 H 1 0.940 . . . . . . A 38 ILE HD11 . 36001 1 129 . 1 1 14 14 ILE HD12 H 1 0.940 . . . . . . A 38 ILE HD12 . 36001 1 130 . 1 1 14 14 ILE HD13 H 1 0.940 . . . . . . A 38 ILE HD13 . 36001 1 131 . 1 1 14 14 ILE C C 13 177.547 . . . . . . A 38 ILE C . 36001 1 132 . 1 1 14 14 ILE CA C 13 66.320 . . . . . . A 38 ILE CA . 36001 1 133 . 1 1 14 14 ILE CB C 13 38.000 . . . . . . A 38 ILE CB . 36001 1 134 . 1 1 14 14 ILE CG1 C 13 31.940 . . . . . . A 38 ILE CG1 . 36001 1 135 . 1 1 14 14 ILE CG2 C 13 17.130 . . . . . . A 38 ILE CG2 . 36001 1 136 . 1 1 14 14 ILE CD1 C 13 14.198 . . . . . . A 38 ILE CD1 . 36001 1 137 . 1 1 14 14 ILE N N 15 119.800 . . . . . . A 38 ILE N . 36001 1 138 . 1 1 15 15 LYS H H 1 7.880 . . . . . . A 39 LYS H . 36001 1 139 . 1 1 15 15 LYS HA H 1 3.793 . . . . . . A 39 LYS HA . 36001 1 140 . 1 1 15 15 LYS HB3 H 1 1.789 . . . . . . A 39 LYS HB3 . 36001 1 141 . 1 1 15 15 LYS HG2 H 1 1.454 . . . . . . A 39 LYS HG2 . 36001 1 142 . 1 1 15 15 LYS HD3 H 1 1.689 . . . . . . A 39 LYS HD3 . 36001 1 143 . 1 1 15 15 LYS HE3 H 1 3.016 . . . . . . A 39 LYS HE3 . 36001 1 144 . 1 1 15 15 LYS CA C 13 60.870 . . . . . . A 39 LYS CA . 36001 1 145 . 1 1 15 15 LYS CB C 13 33.030 . . . . . . A 39 LYS CB . 36001 1 146 . 1 1 15 15 LYS CG C 13 24.860 . . . . . . A 39 LYS CG . 36001 1 147 . 1 1 15 15 LYS CD C 13 29.228 . . . . . . A 39 LYS CD . 36001 1 148 . 1 1 15 15 LYS CE C 13 42.076 . . . . . . A 39 LYS CE . 36001 1 149 . 1 1 15 15 LYS N N 15 119.800 . . . . . . A 39 LYS N . 36001 1 150 . 1 1 16 16 LEU HA H 1 3.837 . . . . . . A 40 LEU HA . 36001 1 151 . 1 1 16 16 LEU HB2 H 1 1.332 . . . . . . A 40 LEU HB2 . 36001 1 152 . 1 1 16 16 LEU HB3 H 1 1.448 . . . . . . A 40 LEU HB3 . 36001 1 153 . 1 1 16 16 LEU HG H 1 1.242 . . . . . . A 40 LEU HG . 36001 1 154 . 1 1 16 16 LEU HD11 H 1 0.681 . . . . . . A 40 LEU HD11 . 36001 1 155 . 1 1 16 16 LEU HD12 H 1 0.681 . . . . . . A 40 LEU HD12 . 36001 1 156 . 1 1 16 16 LEU HD13 H 1 0.681 . . . . . . A 40 LEU HD13 . 36001 1 157 . 1 1 16 16 LEU HD21 H 1 0.609 . . . . . . A 40 LEU HD21 . 36001 1 158 . 1 1 16 16 LEU HD22 H 1 0.609 . . . . . . A 40 LEU HD22 . 36001 1 159 . 1 1 16 16 LEU HD23 H 1 0.609 . . . . . . A 40 LEU HD23 . 36001 1 160 . 1 1 16 16 LEU CA C 13 57.930 . . . . . . A 40 LEU CA . 36001 1 161 . 1 1 16 16 LEU CB C 13 41.900 . . . . . . A 40 LEU CB . 36001 1 162 . 1 1 16 16 LEU CG C 13 26.470 . . . . . . A 40 LEU CG . 36001 1 163 . 1 1 16 16 LEU CD1 C 13 22.900 . . . . . . A 40 LEU CD1 . 36001 1 164 . 1 1 16 16 LEU CD2 C 13 24.341 . . . . . . A 40 LEU CD2 . 36001 1 165 . 1 1 17 17 MET HA H 1 4.455 . . . . . . A 41 MET HA . 36001 1 166 . 1 1 17 17 MET HB2 H 1 1.988 . . . . . . A 41 MET HB2 . 36001 1 167 . 1 1 17 17 MET HB3 H 1 2.059 . . . . . . A 41 MET HB3 . 36001 1 168 . 1 1 17 17 MET HG2 H 1 2.501 . . . . . . A 41 MET HG2 . 36001 1 169 . 1 1 17 17 MET HG3 H 1 2.569 . . . . . . A 41 MET HG3 . 36001 1 170 . 1 1 17 17 MET HE1 H 1 1.766 . . . . . . A 41 MET HE1 . 36001 1 171 . 1 1 17 17 MET HE2 H 1 1.766 . . . . . . A 41 MET HE2 . 36001 1 172 . 1 1 17 17 MET HE3 H 1 1.766 . . . . . . A 41 MET HE3 . 36001 1 173 . 1 1 17 17 MET C C 13 179.254 . . . . . . A 41 MET C . 36001 1 174 . 1 1 17 17 MET CA C 13 55.500 . . . . . . A 41 MET CA . 36001 1 175 . 1 1 17 17 MET CB C 13 33.000 . . . . . . A 41 MET CB . 36001 1 176 . 1 1 17 17 MET CG C 13 32.100 . . . . . . A 41 MET CG . 36001 1 177 . 1 1 17 17 MET CE C 13 14.541 . . . . . . A 41 MET CE . 36001 1 178 . 1 1 18 18 ARG H H 1 9.115 . . . . . . A 42 ARG H . 36001 1 179 . 1 1 18 18 ARG HA H 1 4.280 . . . . . . A 42 ARG HA . 36001 1 180 . 1 1 18 18 ARG HB2 H 1 2.049 . . . . . . A 42 ARG HB2 . 36001 1 181 . 1 1 18 18 ARG HB3 H 1 2.097 . . . . . . A 42 ARG HB3 . 36001 1 182 . 1 1 18 18 ARG HG3 H 1 1.899 . . . . . . A 42 ARG HG3 . 36001 1 183 . 1 1 18 18 ARG HD3 H 1 3.284 . . . . . . A 42 ARG HD3 . 36001 1 184 . 1 1 18 18 ARG C C 13 179.339 . . . . . . A 42 ARG C . 36001 1 185 . 1 1 18 18 ARG CA C 13 59.843 . . . . . . A 42 ARG CA . 36001 1 186 . 1 1 18 18 ARG CB C 13 30.145 . . . . . . A 42 ARG CB . 36001 1 187 . 1 1 18 18 ARG CG C 13 27.552 . . . . . . A 42 ARG CG . 36001 1 188 . 1 1 18 18 ARG CD C 13 43.586 . . . . . . A 42 ARG CD . 36001 1 189 . 1 1 18 18 ARG N N 15 121.620 . . . . . . A 42 ARG N . 36001 1 190 . 1 1 19 19 LEU H H 1 7.416 . . . . . . A 43 LEU H . 36001 1 191 . 1 1 19 19 LEU HA H 1 4.070 . . . . . . A 43 LEU HA . 36001 1 192 . 1 1 19 19 LEU HB2 H 1 1.719 . . . . . . A 43 LEU HB2 . 36001 1 193 . 1 1 19 19 LEU HB3 H 1 1.975 . . . . . . A 43 LEU HB3 . 36001 1 194 . 1 1 19 19 LEU HG H 1 1.737 . . . . . . A 43 LEU HG . 36001 1 195 . 1 1 19 19 LEU HD11 H 1 0.857 . . . . . . A 43 LEU HD11 . 36001 1 196 . 1 1 19 19 LEU HD12 H 1 0.857 . . . . . . A 43 LEU HD12 . 36001 1 197 . 1 1 19 19 LEU HD13 H 1 0.857 . . . . . . A 43 LEU HD13 . 36001 1 198 . 1 1 19 19 LEU HD21 H 1 0.824 . . . . . . A 43 LEU HD21 . 36001 1 199 . 1 1 19 19 LEU HD22 H 1 0.824 . . . . . . A 43 LEU HD22 . 36001 1 200 . 1 1 19 19 LEU HD23 H 1 0.824 . . . . . . A 43 LEU HD23 . 36001 1 201 . 1 1 19 19 LEU C C 13 178.525 . . . . . . A 43 LEU C . 36001 1 202 . 1 1 19 19 LEU CA C 13 58.410 . . . . . . A 43 LEU CA . 36001 1 203 . 1 1 19 19 LEU CB C 13 42.400 . . . . . . A 43 LEU CB . 36001 1 204 . 1 1 19 19 LEU CG C 13 26.600 . . . . . . A 43 LEU CG . 36001 1 205 . 1 1 19 19 LEU CD1 C 13 24.920 . . . . . . A 43 LEU CD1 . 36001 1 206 . 1 1 19 19 LEU CD2 C 13 23.489 . . . . . . A 43 LEU CD2 . 36001 1 207 . 1 1 19 19 LEU N N 15 120.870 . . . . . . A 43 LEU N . 36001 1 208 . 1 1 20 20 VAL H H 1 8.020 . . . . . . A 44 VAL H . 36001 1 209 . 1 1 20 20 VAL HA H 1 3.289 . . . . . . A 44 VAL HA . 36001 1 210 . 1 1 20 20 VAL HB H 1 1.872 . . . . . . A 44 VAL HB . 36001 1 211 . 1 1 20 20 VAL HG11 H 1 0.672 . . . . . . A 44 VAL HG11 . 36001 1 212 . 1 1 20 20 VAL HG12 H 1 0.672 . . . . . . A 44 VAL HG12 . 36001 1 213 . 1 1 20 20 VAL HG13 H 1 0.672 . . . . . . A 44 VAL HG13 . 36001 1 214 . 1 1 20 20 VAL HG21 H 1 -0.178 . . . . . . A 44 VAL HG21 . 36001 1 215 . 1 1 20 20 VAL HG22 H 1 -0.178 . . . . . . A 44 VAL HG22 . 36001 1 216 . 1 1 20 20 VAL HG23 H 1 -0.178 . . . . . . A 44 VAL HG23 . 36001 1 217 . 1 1 20 20 VAL C C 13 177.967 . . . . . . A 44 VAL C . 36001 1 218 . 1 1 20 20 VAL CA C 13 67.030 . . . . . . A 44 VAL CA . 36001 1 219 . 1 1 20 20 VAL CB C 13 31.530 . . . . . . A 44 VAL CB . 36001 1 220 . 1 1 20 20 VAL CG1 C 13 23.575 . . . . . . A 44 VAL CG1 . 36001 1 221 . 1 1 20 20 VAL CG2 C 13 20.058 . . . . . . A 44 VAL CG2 . 36001 1 222 . 1 1 20 20 VAL N N 15 119.490 . . . . . . A 44 VAL N . 36001 1 223 . 1 1 21 21 VAL H H 1 8.250 . . . . . . A 45 VAL H . 36001 1 224 . 1 1 21 21 VAL HA H 1 3.810 . . . . . . A 45 VAL HA . 36001 1 225 . 1 1 21 21 VAL HB H 1 2.230 . . . . . . A 45 VAL HB . 36001 1 226 . 1 1 21 21 VAL HG11 H 1 1.067 . . . . . . A 45 VAL HG11 . 36001 1 227 . 1 1 21 21 VAL HG12 H 1 1.067 . . . . . . A 45 VAL HG12 . 36001 1 228 . 1 1 21 21 VAL HG13 H 1 1.067 . . . . . . A 45 VAL HG13 . 36001 1 229 . 1 1 21 21 VAL HG21 H 1 1.228 . . . . . . A 45 VAL HG21 . 36001 1 230 . 1 1 21 21 VAL HG22 H 1 1.228 . . . . . . A 45 VAL HG22 . 36001 1 231 . 1 1 21 21 VAL HG23 H 1 1.228 . . . . . . A 45 VAL HG23 . 36001 1 232 . 1 1 21 21 VAL C C 13 180.670 . . . . . . A 45 VAL C . 36001 1 233 . 1 1 21 21 VAL CA C 13 67.220 . . . . . . A 45 VAL CA . 36001 1 234 . 1 1 21 21 VAL CB C 13 31.620 . . . . . . A 45 VAL CB . 36001 1 235 . 1 1 21 21 VAL CG1 C 13 22.023 . . . . . . A 45 VAL CG1 . 36001 1 236 . 1 1 21 21 VAL CG2 C 13 24.340 . . . . . . A 45 VAL CG2 . 36001 1 237 . 1 1 21 21 VAL N N 15 115.850 . . . . . . A 45 VAL N . 36001 1 238 . 1 1 22 22 ARG H H 1 8.375 . . . . . . A 46 ARG H . 36001 1 239 . 1 1 22 22 ARG HA H 1 4.177 . . . . . . A 46 ARG HA . 36001 1 240 . 1 1 22 22 ARG HB2 H 1 1.857 . . . . . . A 46 ARG HB2 . 36001 1 241 . 1 1 22 22 ARG HB3 H 1 2.103 . . . . . . A 46 ARG HB3 . 36001 1 242 . 1 1 22 22 ARG HG2 H 1 1.500 . . . . . . A 46 ARG HG2 . 36001 1 243 . 1 1 22 22 ARG HG3 H 1 1.673 . . . . . . A 46 ARG HG3 . 36001 1 244 . 1 1 22 22 ARG HD3 H 1 3.180 . . . . . . A 46 ARG HD3 . 36001 1 245 . 1 1 22 22 ARG C C 13 177.810 . . . . . . A 46 ARG C . 36001 1 246 . 1 1 22 22 ARG CA C 13 59.090 . . . . . . A 46 ARG CA . 36001 1 247 . 1 1 22 22 ARG CB C 13 30.190 . . . . . . A 46 ARG CB . 36001 1 248 . 1 1 22 22 ARG CG C 13 27.540 . . . . . . A 46 ARG CG . 36001 1 249 . 1 1 22 22 ARG CD C 13 43.700 . . . . . . A 46 ARG CD . 36001 1 250 . 1 1 22 22 ARG N N 15 122.870 . . . . . . A 46 ARG N . 36001 1 251 . 1 1 23 23 HIS H H 1 7.601 . . . . . . A 47 HIS H . 36001 1 252 . 1 1 23 23 HIS HA H 1 4.780 . . . . . . A 47 HIS HA . 36001 1 253 . 1 1 23 23 HIS HB2 H 1 3.040 . . . . . . A 47 HIS HB2 . 36001 1 254 . 1 1 23 23 HIS HB3 H 1 3.333 . . . . . . A 47 HIS HB3 . 36001 1 255 . 1 1 23 23 HIS HD2 H 1 7.467 . . . . . . A 47 HIS HD2 . 36001 1 256 . 1 1 23 23 HIS C C 13 177.020 . . . . . . A 47 HIS C . 36001 1 257 . 1 1 23 23 HIS CA C 13 55.870 . . . . . . A 47 HIS CA . 36001 1 258 . 1 1 23 23 HIS CB C 13 28.966 . . . . . . A 47 HIS CB . 36001 1 259 . 1 1 23 23 HIS CD2 C 13 120.150 . . . . . . A 47 HIS CD2 . 36001 1 260 . 1 1 23 23 HIS N N 15 114.600 . . . . . . A 47 HIS N . 36001 1 261 . 1 1 24 24 LYS H H 1 7.720 . . . . . . A 48 LYS H . 36001 1 262 . 1 1 24 24 LYS C C 13 176.892 . . . . . . A 48 LYS C . 36001 1 263 . 1 1 24 24 LYS CA C 13 60.750 . . . . . . A 48 LYS CA . 36001 1 264 . 1 1 24 24 LYS CB C 13 32.870 . . . . . . A 48 LYS CB . 36001 1 265 . 1 1 24 24 LYS N N 15 120.880 . . . . . . A 48 LYS N . 36001 1 266 . 1 1 25 25 HIS H H 1 8.855 . . . . . . A 49 HIS H . 36001 1 267 . 1 1 25 25 HIS HA H 1 4.522 . . . . . . A 49 HIS HA . 36001 1 268 . 1 1 25 25 HIS HB2 H 1 3.238 . . . . . . A 49 HIS HB2 . 36001 1 269 . 1 1 25 25 HIS HB3 H 1 3.168 . . . . . . A 49 HIS HB3 . 36001 1 270 . 1 1 25 25 HIS HD2 H 1 7.242 . . . . . . A 49 HIS HD2 . 36001 1 271 . 1 1 25 25 HIS CA C 13 57.930 . . . . . . A 49 HIS CA . 36001 1 272 . 1 1 25 25 HIS CB C 13 29.050 . . . . . . A 49 HIS CB . 36001 1 273 . 1 1 25 25 HIS CD2 C 13 119.800 . . . . . . A 49 HIS CD2 . 36001 1 274 . 1 1 25 25 HIS N N 15 119.930 . . . . . . A 49 HIS N . 36001 1 275 . 1 1 26 26 GLU HA H 1 4.378 . . . . . . A 50 GLU HA . 36001 1 276 . 1 1 26 26 GLU HB2 H 1 1.931 . . . . . . A 50 GLU HB2 . 36001 1 277 . 1 1 26 26 GLU HB3 H 1 2.039 . . . . . . A 50 GLU HB3 . 36001 1 278 . 1 1 26 26 GLU HG3 H 1 2.381 . . . . . . A 50 GLU HG3 . 36001 1 279 . 1 1 26 26 GLU C C 13 176.399 . . . . . . A 50 GLU C . 36001 1 280 . 1 1 26 26 GLU CA C 13 56.430 . . . . . . A 50 GLU CA . 36001 1 281 . 1 1 26 26 GLU CB C 13 29.750 . . . . . . A 50 GLU CB . 36001 1 282 . 1 1 26 26 GLU CG C 13 34.120 . . . . . . A 50 GLU CG . 36001 1 283 . 1 1 27 27 LEU H H 1 6.854 . . . . . . A 51 LEU H . 36001 1 284 . 1 1 27 27 LEU HG H 1 0.471 . . . . . . A 51 LEU HG . 36001 1 285 . 1 1 27 27 LEU HD11 H 1 0.557 . . . . . . A 51 LEU HD11 . 36001 1 286 . 1 1 27 27 LEU HD12 H 1 0.557 . . . . . . A 51 LEU HD12 . 36001 1 287 . 1 1 27 27 LEU HD13 H 1 0.557 . . . . . . A 51 LEU HD13 . 36001 1 288 . 1 1 27 27 LEU HD21 H 1 0.557 . . . . . . A 51 LEU HD21 . 36001 1 289 . 1 1 27 27 LEU HD22 H 1 0.557 . . . . . . A 51 LEU HD22 . 36001 1 290 . 1 1 27 27 LEU HD23 H 1 0.557 . . . . . . A 51 LEU HD23 . 36001 1 291 . 1 1 27 27 LEU CA C 13 55.340 . . . . . . A 51 LEU CA . 36001 1 292 . 1 1 27 27 LEU CB C 13 41.080 . . . . . . A 51 LEU CB . 36001 1 293 . 1 1 27 27 LEU CG C 13 27.100 . . . . . . A 51 LEU CG . 36001 1 294 . 1 1 27 27 LEU CD1 C 13 23.550 . . . . . . A 51 LEU CD1 . 36001 1 295 . 1 1 27 27 LEU CD2 C 13 23.550 . . . . . . A 51 LEU CD2 . 36001 1 296 . 1 1 27 27 LEU N N 15 123.430 . . . . . . A 51 LEU N . 36001 1 297 . 1 1 28 28 VAL HA H 1 4.213 . . . . . . A 52 VAL HA . 36001 1 298 . 1 1 28 28 VAL HB H 1 2.040 . . . . . . A 52 VAL HB . 36001 1 299 . 1 1 28 28 VAL HG11 H 1 0.845 . . . . . . A 52 VAL HG11 . 36001 1 300 . 1 1 28 28 VAL HG12 H 1 0.845 . . . . . . A 52 VAL HG12 . 36001 1 301 . 1 1 28 28 VAL HG13 H 1 0.845 . . . . . . A 52 VAL HG13 . 36001 1 302 . 1 1 28 28 VAL HG21 H 1 0.892 . . . . . . A 52 VAL HG21 . 36001 1 303 . 1 1 28 28 VAL HG22 H 1 0.892 . . . . . . A 52 VAL HG22 . 36001 1 304 . 1 1 28 28 VAL HG23 H 1 0.892 . . . . . . A 52 VAL HG23 . 36001 1 305 . 1 1 28 28 VAL C C 13 174.905 . . . . . . A 52 VAL C . 36001 1 306 . 1 1 28 28 VAL CA C 13 60.500 . . . . . . A 52 VAL CA . 36001 1 307 . 1 1 28 28 VAL CB C 13 34.450 . . . . . . A 52 VAL CB . 36001 1 308 . 1 1 28 28 VAL CG1 C 13 20.016 . . . . . . A 52 VAL CG1 . 36001 1 309 . 1 1 28 28 VAL CG2 C 13 21.341 . . . . . . A 52 VAL CG2 . 36001 1 310 . 1 1 29 29 ASP H H 1 8.227 . . . . . . A 53 ASP H . 36001 1 311 . 1 1 29 29 ASP HA H 1 4.293 . . . . . . A 53 ASP HA . 36001 1 312 . 1 1 29 29 ASP HB2 H 1 2.586 . . . . . . A 53 ASP HB2 . 36001 1 313 . 1 1 29 29 ASP HB3 H 1 2.676 . . . . . . A 53 ASP HB3 . 36001 1 314 . 1 1 29 29 ASP CA C 13 55.967 . . . . . . A 53 ASP CA . 36001 1 315 . 1 1 29 29 ASP CB C 13 41.470 . . . . . . A 53 ASP CB . 36001 1 316 . 1 1 29 29 ASP N N 15 124.030 . . . . . . A 53 ASP N . 36001 1 317 . 1 1 30 30 ARG HA H 1 4.096 . . . . . . A 54 ARG HA . 36001 1 318 . 1 1 30 30 ARG HB3 H 1 2.033 . . . . . . A 54 ARG HB3 . 36001 1 319 . 1 1 30 30 ARG HG3 H 1 1.667 . . . . . . A 54 ARG HG3 . 36001 1 320 . 1 1 30 30 ARG HD3 H 1 3.223 . . . . . . A 54 ARG HD3 . 36001 1 321 . 1 1 30 30 ARG C C 13 176.570 . . . . . . A 54 ARG C . 36001 1 322 . 1 1 30 30 ARG CA C 13 57.695 . . . . . . A 54 ARG CA . 36001 1 323 . 1 1 30 30 ARG CB C 13 28.800 . . . . . . A 54 ARG CB . 36001 1 324 . 1 1 30 30 ARG CG C 13 27.440 . . . . . . A 54 ARG CG . 36001 1 325 . 1 1 30 30 ARG CD C 13 43.472 . . . . . . A 54 ARG CD . 36001 1 326 . 1 1 31 31 LYS H H 1 8.123 . . . . . . A 55 LYS H . 36001 1 327 . 1 1 31 31 LYS HA H 1 4.992 . . . . . . A 55 LYS HA . 36001 1 328 . 1 1 31 31 LYS HB3 H 1 1.794 . . . . . . A 55 LYS HB3 . 36001 1 329 . 1 1 31 31 LYS HG3 H 1 1.408 . . . . . . A 55 LYS HG3 . 36001 1 330 . 1 1 31 31 LYS HD2 H 1 1.558 . . . . . . A 55 LYS HD2 . 36001 1 331 . 1 1 31 31 LYS HD3 H 1 1.697 . . . . . . A 55 LYS HD3 . 36001 1 332 . 1 1 31 31 LYS HE2 H 1 2.890 . . . . . . A 55 LYS HE2 . 36001 1 333 . 1 1 31 31 LYS HE3 H 1 3.010 . . . . . . A 55 LYS HE3 . 36001 1 334 . 1 1 31 31 LYS C C 13 178.720 . . . . . . A 55 LYS C . 36001 1 335 . 1 1 31 31 LYS CA C 13 55.340 . . . . . . A 55 LYS CA . 36001 1 336 . 1 1 31 31 LYS CB C 13 33.128 . . . . . . A 55 LYS CB . 36001 1 337 . 1 1 31 31 LYS CG C 13 24.741 . . . . . . A 55 LYS CG . 36001 1 338 . 1 1 31 31 LYS CD C 13 29.100 . . . . . . A 55 LYS CD . 36001 1 339 . 1 1 31 31 LYS CE C 13 42.165 . . . . . . A 55 LYS CE . 36001 1 340 . 1 1 31 31 LYS N N 15 120.870 . . . . . . A 55 LYS N . 36001 1 341 . 1 1 32 32 THR H H 1 8.568 . . . . . . A 56 THR H . 36001 1 342 . 1 1 32 32 THR HA H 1 4.051 . . . . . . A 56 THR HA . 36001 1 343 . 1 1 32 32 THR HB H 1 4.450 . . . . . . A 56 THR HB . 36001 1 344 . 1 1 32 32 THR HG21 H 1 1.461 . . . . . . A 56 THR HG21 . 36001 1 345 . 1 1 32 32 THR HG22 H 1 1.461 . . . . . . A 56 THR HG22 . 36001 1 346 . 1 1 32 32 THR HG23 H 1 1.461 . . . . . . A 56 THR HG23 . 36001 1 347 . 1 1 32 32 THR C C 13 176.807 . . . . . . A 56 THR C . 36001 1 348 . 1 1 32 32 THR CA C 13 65.920 . . . . . . A 56 THR CA . 36001 1 349 . 1 1 32 32 THR CB C 13 69.030 . . . . . . A 56 THR CB . 36001 1 350 . 1 1 32 32 THR CG2 C 13 22.400 . . . . . . A 56 THR CG2 . 36001 1 351 . 1 1 32 32 THR N N 15 116.360 . . . . . . A 56 THR N . 36001 1 352 . 1 1 33 33 SER H H 1 8.990 . . . . . . A 57 SER H . 36001 1 353 . 1 1 33 33 SER CA C 13 62.570 . . . . . . A 57 SER CA . 36001 1 354 . 1 1 33 33 SER N N 15 119.230 . . . . . . A 57 SER N . 36001 1 355 . 1 1 34 34 GLU HA H 1 4.100 . . . . . . A 58 GLU HA . 36001 1 356 . 1 1 34 34 GLU HB2 H 1 2.175 . . . . . . A 58 GLU HB2 . 36001 1 357 . 1 1 34 34 GLU HB3 H 1 2.251 . . . . . . A 58 GLU HB3 . 36001 1 358 . 1 1 34 34 GLU HG3 H 1 2.381 . . . . . . A 58 GLU HG3 . 36001 1 359 . 1 1 34 34 GLU C C 13 179.140 . . . . . . A 58 GLU C . 36001 1 360 . 1 1 34 34 GLU CA C 13 59.436 . . . . . . A 58 GLU CA . 36001 1 361 . 1 1 34 34 GLU CB C 13 29.600 . . . . . . A 58 GLU CB . 36001 1 362 . 1 1 34 34 GLU CG C 13 36.800 . . . . . . A 58 GLU CG . 36001 1 363 . 1 1 35 35 PHE H H 1 7.600 . . . . . . A 59 PHE H . 36001 1 364 . 1 1 35 35 PHE HA H 1 4.225 . . . . . . A 59 PHE HA . 36001 1 365 . 1 1 35 35 PHE C C 13 177.195 . . . . . . A 59 PHE C . 36001 1 366 . 1 1 35 35 PHE CA C 13 61.690 . . . . . . A 59 PHE CA . 36001 1 367 . 1 1 35 35 PHE CB C 13 39.400 . . . . . . A 59 PHE CB . 36001 1 368 . 1 1 35 35 PHE N N 15 121.670 . . . . . . A 59 PHE N . 36001 1 369 . 1 1 36 36 TYR H H 1 8.292 . . . . . . A 60 TYR H . 36001 1 370 . 1 1 36 36 TYR HA H 1 4.390 . . . . . . A 60 TYR HA . 36001 1 371 . 1 1 36 36 TYR C C 13 178.417 . . . . . . A 60 TYR C . 36001 1 372 . 1 1 36 36 TYR CA C 13 55.240 . . . . . . A 60 TYR CA . 36001 1 373 . 1 1 36 36 TYR CB C 13 42.428 . . . . . . A 60 TYR CB . 36001 1 374 . 1 1 36 36 TYR N N 15 118.340 . . . . . . A 60 TYR N . 36001 1 375 . 1 1 37 37 ALA H H 1 8.590 . . . . . . A 61 ALA H . 36001 1 376 . 1 1 37 37 ALA HA H 1 3.953 . . . . . . A 61 ALA HA . 36001 1 377 . 1 1 37 37 ALA HB1 H 1 1.588 . . . . . . A 61 ALA HB1 . 36001 1 378 . 1 1 37 37 ALA HB2 H 1 1.588 . . . . . . A 61 ALA HB2 . 36001 1 379 . 1 1 37 37 ALA HB3 H 1 1.588 . . . . . . A 61 ALA HB3 . 36001 1 380 . 1 1 37 37 ALA C C 13 180.012 . . . . . . A 61 ALA C . 36001 1 381 . 1 1 37 37 ALA CA C 13 55.430 . . . . . . A 61 ALA CA . 36001 1 382 . 1 1 37 37 ALA CB C 13 18.340 . . . . . . A 61 ALA CB . 36001 1 383 . 1 1 37 37 ALA N N 15 121.780 . . . . . . A 61 ALA N . 36001 1 384 . 1 1 38 38 LYS H H 1 7.630 . . . . . . A 62 LYS H . 36001 1 385 . 1 1 38 38 LYS HA H 1 3.982 . . . . . . A 62 LYS HA . 36001 1 386 . 1 1 38 38 LYS HB2 H 1 1.908 . . . . . . A 62 LYS HB2 . 36001 1 387 . 1 1 38 38 LYS HB3 H 1 1.860 . . . . . . A 62 LYS HB3 . 36001 1 388 . 1 1 38 38 LYS HG2 H 1 1.364 . . . . . . A 62 LYS HG2 . 36001 1 389 . 1 1 38 38 LYS HG3 H 1 1.040 . . . . . . A 62 LYS HG3 . 36001 1 390 . 1 1 38 38 LYS HD2 H 1 1.564 . . . . . . A 62 LYS HD2 . 36001 1 391 . 1 1 38 38 LYS HD3 H 1 1.610 . . . . . . A 62 LYS HD3 . 36001 1 392 . 1 1 38 38 LYS HE2 H 1 2.689 . . . . . . A 62 LYS HE2 . 36001 1 393 . 1 1 38 38 LYS HE3 H 1 2.854 . . . . . . A 62 LYS HE3 . 36001 1 394 . 1 1 38 38 LYS C C 13 178.003 . . . . . . A 62 LYS C . 36001 1 395 . 1 1 38 38 LYS CA C 13 59.570 . . . . . . A 62 LYS CA . 36001 1 396 . 1 1 38 38 LYS CB C 13 31.600 . . . . . . A 62 LYS CB . 36001 1 397 . 1 1 38 38 LYS CG C 13 24.847 . . . . . . A 62 LYS CG . 36001 1 398 . 1 1 38 38 LYS CD C 13 29.596 . . . . . . A 62 LYS CD . 36001 1 399 . 1 1 38 38 LYS CE C 13 41.873 . . . . . . A 62 LYS CE . 36001 1 400 . 1 1 38 38 LYS N N 15 121.850 . . . . . . A 62 LYS N . 36001 1 401 . 1 1 39 39 ILE H H 1 7.980 . . . . . . A 63 ILE H . 36001 1 402 . 1 1 39 39 ILE HA H 1 3.278 . . . . . . A 63 ILE HA . 36001 1 403 . 1 1 39 39 ILE HB H 1 1.773 . . . . . . A 63 ILE HB . 36001 1 404 . 1 1 39 39 ILE HG13 H 1 0.488 . . . . . . A 63 ILE HG13 . 36001 1 405 . 1 1 39 39 ILE HG21 H 1 0.888 . . . . . . A 63 ILE HG21 . 36001 1 406 . 1 1 39 39 ILE HG22 H 1 0.888 . . . . . . A 63 ILE HG22 . 36001 1 407 . 1 1 39 39 ILE HG23 H 1 0.888 . . . . . . A 63 ILE HG23 . 36001 1 408 . 1 1 39 39 ILE HD11 H 1 -0.086 . . . . . . A 63 ILE HD11 . 36001 1 409 . 1 1 39 39 ILE HD12 H 1 -0.086 . . . . . . A 63 ILE HD12 . 36001 1 410 . 1 1 39 39 ILE HD13 H 1 -0.086 . . . . . . A 63 ILE HD13 . 36001 1 411 . 1 1 39 39 ILE C C 13 177.846 . . . . . . A 63 ILE C . 36001 1 412 . 1 1 39 39 ILE CA C 13 61.450 . . . . . . A 63 ILE CA . 36001 1 413 . 1 1 39 39 ILE CB C 13 34.114 . . . . . . A 63 ILE CB . 36001 1 414 . 1 1 39 39 ILE N N 15 118.690 . . . . . . A 63 ILE N . 36001 1 415 . 1 1 40 40 ALA H H 1 8.102 . . . . . . A 64 ALA H . 36001 1 416 . 1 1 40 40 ALA HA H 1 3.792 . . . . . . A 64 ALA HA . 36001 1 417 . 1 1 40 40 ALA HB1 H 1 1.202 . . . . . . A 64 ALA HB1 . 36001 1 418 . 1 1 40 40 ALA HB2 H 1 1.202 . . . . . . A 64 ALA HB2 . 36001 1 419 . 1 1 40 40 ALA HB3 H 1 1.202 . . . . . . A 64 ALA HB3 . 36001 1 420 . 1 1 40 40 ALA C C 13 178.922 . . . . . . A 64 ALA C . 36001 1 421 . 1 1 40 40 ALA CA C 13 55.480 . . . . . . A 64 ALA CA . 36001 1 422 . 1 1 40 40 ALA CB C 13 18.100 . . . . . . A 64 ALA CB . 36001 1 423 . 1 1 40 40 ALA N N 15 122.390 . . . . . . A 64 ALA N . 36001 1 424 . 1 1 41 41 ARG H H 1 7.390 . . . . . . A 65 ARG H . 36001 1 425 . 1 1 41 41 ARG HA H 1 4.119 . . . . . . A 65 ARG HA . 36001 1 426 . 1 1 41 41 ARG HB2 H 1 1.970 . . . . . . A 65 ARG HB2 . 36001 1 427 . 1 1 41 41 ARG HB3 H 1 1.930 . . . . . . A 65 ARG HB3 . 36001 1 428 . 1 1 41 41 ARG HG2 H 1 1.586 . . . . . . A 65 ARG HG2 . 36001 1 429 . 1 1 41 41 ARG HG3 H 1 1.745 . . . . . . A 65 ARG HG3 . 36001 1 430 . 1 1 41 41 ARG HD3 H 1 3.215 . . . . . . A 65 ARG HD3 . 36001 1 431 . 1 1 41 41 ARG C C 13 177.241 . . . . . . A 65 ARG C . 36001 1 432 . 1 1 41 41 ARG CA C 13 59.860 . . . . . . A 65 ARG CA . 36001 1 433 . 1 1 41 41 ARG CB C 13 29.880 . . . . . . A 65 ARG CB . 36001 1 434 . 1 1 41 41 ARG CG C 13 27.119 . . . . . . A 65 ARG CG . 36001 1 435 . 1 1 41 41 ARG CD C 13 43.638 . . . . . . A 65 ARG CD . 36001 1 436 . 1 1 41 41 ARG N N 15 117.650 . . . . . . A 65 ARG N . 36001 1 437 . 1 1 42 42 ILE H H 1 8.295 . . . . . . A 66 ILE H . 36001 1 438 . 1 1 42 42 ILE HA H 1 3.834 . . . . . . A 66 ILE HA . 36001 1 439 . 1 1 42 42 ILE HB H 1 1.600 . . . . . . A 66 ILE HB . 36001 1 440 . 1 1 42 42 ILE HG12 H 1 1.613 . . . . . . A 66 ILE HG12 . 36001 1 441 . 1 1 42 42 ILE HG13 H 1 1.086 . . . . . . A 66 ILE HG13 . 36001 1 442 . 1 1 42 42 ILE HG21 H 1 0.972 . . . . . . A 66 ILE HG21 . 36001 1 443 . 1 1 42 42 ILE HG22 H 1 0.972 . . . . . . A 66 ILE HG22 . 36001 1 444 . 1 1 42 42 ILE HG23 H 1 0.972 . . . . . . A 66 ILE HG23 . 36001 1 445 . 1 1 42 42 ILE HD11 H 1 0.443 . . . . . . A 66 ILE HD11 . 36001 1 446 . 1 1 42 42 ILE HD12 H 1 0.443 . . . . . . A 66 ILE HD12 . 36001 1 447 . 1 1 42 42 ILE HD13 H 1 0.443 . . . . . . A 66 ILE HD13 . 36001 1 448 . 1 1 42 42 ILE C C 13 179.277 . . . . . . A 66 ILE C . 36001 1 449 . 1 1 42 42 ILE CA C 13 65.100 . . . . . . A 66 ILE CA . 36001 1 450 . 1 1 42 42 ILE CB C 13 38.370 . . . . . . A 66 ILE CB . 36001 1 451 . 1 1 42 42 ILE CG1 C 13 27.607 . . . . . . A 66 ILE CG1 . 36001 1 452 . 1 1 42 42 ILE CG2 C 13 18.480 . . . . . . A 66 ILE CG2 . 36001 1 453 . 1 1 42 42 ILE CD1 C 13 14.059 . . . . . . A 66 ILE CD1 . 36001 1 454 . 1 1 42 42 ILE N N 15 118.700 . . . . . . A 66 ILE N . 36001 1 455 . 1 1 43 43 GLY H H 1 9.125 . . . . . . A 67 GLY H . 36001 1 456 . 1 1 43 43 GLY HA2 H 1 3.550 . . . . . . A 67 GLY HA2 . 36001 1 457 . 1 1 43 43 GLY HA3 H 1 3.521 . . . . . . A 67 GLY HA3 . 36001 1 458 . 1 1 43 43 GLY C C 13 175.276 . . . . . . A 67 GLY C . 36001 1 459 . 1 1 43 43 GLY CA C 13 47.850 . . . . . . A 67 GLY CA . 36001 1 460 . 1 1 43 43 GLY N N 15 109.900 . . . . . . A 67 GLY N . 36001 1 461 . 1 1 44 44 TYR H H 1 8.075 . . . . . . A 68 TYR H . 36001 1 462 . 1 1 44 44 TYR HA H 1 4.933 . . . . . . A 68 TYR HA . 36001 1 463 . 1 1 44 44 TYR HB2 H 1 3.545 . . . . . . A 68 TYR HB2 . 36001 1 464 . 1 1 44 44 TYR HB3 H 1 2.983 . . . . . . A 68 TYR HB3 . 36001 1 465 . 1 1 44 44 TYR HD1 H 1 7.183 . . . . . . A 68 TYR HD1 . 36001 1 466 . 1 1 44 44 TYR HE1 H 1 6.794 . . . . . . A 68 TYR HE1 . 36001 1 467 . 1 1 44 44 TYR C C 13 178.331 . . . . . . A 68 TYR C . 36001 1 468 . 1 1 44 44 TYR CA C 13 60.650 . . . . . . A 68 TYR CA . 36001 1 469 . 1 1 44 44 TYR CB C 13 39.250 . . . . . . A 68 TYR CB . 36001 1 470 . 1 1 44 44 TYR CD1 C 13 133.520 . . . . . . A 68 TYR CD1 . 36001 1 471 . 1 1 44 44 TYR CE1 C 13 117.967 . . . . . . A 68 TYR CE1 . 36001 1 472 . 1 1 44 44 TYR N N 15 122.850 . . . . . . A 68 TYR N . 36001 1 473 . 1 1 45 45 GLU H H 1 8.792 . . . . . . A 69 GLU H . 36001 1 474 . 1 1 45 45 GLU HA H 1 3.737 . . . . . . A 69 GLU HA . 36001 1 475 . 1 1 45 45 GLU HB2 H 1 2.059 . . . . . . A 69 GLU HB2 . 36001 1 476 . 1 1 45 45 GLU HB3 H 1 1.986 . . . . . . A 69 GLU HB3 . 36001 1 477 . 1 1 45 45 GLU HG2 H 1 2.344 . . . . . . A 69 GLU HG2 . 36001 1 478 . 1 1 45 45 GLU HG3 H 1 2.671 . . . . . . A 69 GLU HG3 . 36001 1 479 . 1 1 45 45 GLU C C 13 178.384 . . . . . . A 69 GLU C . 36001 1 480 . 1 1 45 45 GLU CA C 13 59.560 . . . . . . A 69 GLU CA . 36001 1 481 . 1 1 45 45 GLU CB C 13 30.180 . . . . . . A 69 GLU CB . 36001 1 482 . 1 1 45 45 GLU CG C 13 37.057 . . . . . . A 69 GLU CG . 36001 1 483 . 1 1 45 45 GLU N N 15 119.070 . . . . . . A 69 GLU N . 36001 1 484 . 1 1 46 46 ASP H H 1 8.767 . . . . . . A 70 ASP H . 36001 1 485 . 1 1 46 46 ASP HA H 1 4.837 . . . . . . A 70 ASP HA . 36001 1 486 . 1 1 46 46 ASP HB2 H 1 2.944 . . . . . . A 70 ASP HB2 . 36001 1 487 . 1 1 46 46 ASP HB3 H 1 2.673 . . . . . . A 70 ASP HB3 . 36001 1 488 . 1 1 46 46 ASP C C 13 178.303 . . . . . . A 70 ASP C . 36001 1 489 . 1 1 46 46 ASP CA C 13 55.680 . . . . . . A 70 ASP CA . 36001 1 490 . 1 1 46 46 ASP CB C 13 41.400 . . . . . . A 70 ASP CB . 36001 1 491 . 1 1 46 46 ASP N N 15 116.440 . . . . . . A 70 ASP N . 36001 1 492 . 1 1 47 47 GLU H H 1 7.009 . . . . . . A 71 GLU H . 36001 1 493 . 1 1 47 47 GLU HA H 1 4.803 . . . . . . A 71 GLU HA . 36001 1 494 . 1 1 47 47 GLU HB2 H 1 2.180 . . . . . . A 71 GLU HB2 . 36001 1 495 . 1 1 47 47 GLU HB3 H 1 2.386 . . . . . . A 71 GLU HB3 . 36001 1 496 . 1 1 47 47 GLU HG2 H 1 2.116 . . . . . . A 71 GLU HG2 . 36001 1 497 . 1 1 47 47 GLU HG3 H 1 2.209 . . . . . . A 71 GLU HG3 . 36001 1 498 . 1 1 47 47 GLU C C 13 176.890 . . . . . . A 71 GLU C . 36001 1 499 . 1 1 47 47 GLU CA C 13 55.250 . . . . . . A 71 GLU CA . 36001 1 500 . 1 1 47 47 GLU CB C 13 30.660 . . . . . . A 71 GLU CB . 36001 1 501 . 1 1 47 47 GLU CG C 13 35.273 . . . . . . A 71 GLU CG . 36001 1 502 . 1 1 47 47 GLU N N 15 115.040 . . . . . . A 71 GLU N . 36001 1 503 . 1 1 48 48 GLY H H 1 7.425 . . . . . . A 72 GLY H . 36001 1 504 . 1 1 48 48 GLY HA2 H 1 3.795 . . . . . . A 72 GLY HA2 . 36001 1 505 . 1 1 48 48 GLY HA3 H 1 3.872 . . . . . . A 72 GLY HA3 . 36001 1 506 . 1 1 48 48 GLY C C 13 175.166 . . . . . . A 72 GLY C . 36001 1 507 . 1 1 48 48 GLY CA C 13 46.810 . . . . . . A 72 GLY CA . 36001 1 508 . 1 1 48 48 GLY N N 15 109.140 . . . . . . A 72 GLY N . 36001 1 509 . 1 1 49 49 LEU H H 1 8.153 . . . . . . A 73 LEU H . 36001 1 510 . 1 1 49 49 LEU HA H 1 4.326 . . . . . . A 73 LEU HA . 36001 1 511 . 1 1 49 49 LEU HB2 H 1 1.440 . . . . . . A 73 LEU HB2 . 36001 1 512 . 1 1 49 49 LEU HB3 H 1 1.016 . . . . . . A 73 LEU HB3 . 36001 1 513 . 1 1 49 49 LEU HG H 1 0.715 . . . . . . A 73 LEU HG . 36001 1 514 . 1 1 49 49 LEU HD11 H 1 0.852 . . . . . . A 73 LEU HD11 . 36001 1 515 . 1 1 49 49 LEU HD12 H 1 0.852 . . . . . . A 73 LEU HD12 . 36001 1 516 . 1 1 49 49 LEU HD13 H 1 0.852 . . . . . . A 73 LEU HD13 . 36001 1 517 . 1 1 49 49 LEU C C 13 177.522 . . . . . . A 73 LEU C . 36001 1 518 . 1 1 49 49 LEU CA C 13 54.040 . . . . . . A 73 LEU CA . 36001 1 519 . 1 1 49 49 LEU CB C 13 43.630 . . . . . . A 73 LEU CB . 36001 1 520 . 1 1 49 49 LEU CG C 13 25.990 . . . . . . A 73 LEU CG . 36001 1 521 . 1 1 49 49 LEU CD1 C 13 23.600 . . . . . . A 73 LEU CD1 . 36001 1 522 . 1 1 49 49 LEU N N 15 120.850 . . . . . . A 73 LEU N . 36001 1 523 . 1 1 50 50 ALA H H 1 8.739 . . . . . . A 74 ALA H . 36001 1 524 . 1 1 50 50 ALA HA H 1 4.293 . . . . . . A 74 ALA HA . 36001 1 525 . 1 1 50 50 ALA HB1 H 1 1.365 . . . . . . A 74 ALA HB1 . 36001 1 526 . 1 1 50 50 ALA HB2 H 1 1.365 . . . . . . A 74 ALA HB2 . 36001 1 527 . 1 1 50 50 ALA HB3 H 1 1.365 . . . . . . A 74 ALA HB3 . 36001 1 528 . 1 1 50 50 ALA C C 13 176.205 . . . . . . A 74 ALA C . 36001 1 529 . 1 1 50 50 ALA CA C 13 51.740 . . . . . . A 74 ALA CA . 36001 1 530 . 1 1 50 50 ALA CB C 13 17.320 . . . . . . A 74 ALA CB . 36001 1 531 . 1 1 50 50 ALA N N 15 126.850 . . . . . . A 74 ALA N . 36001 1 532 . 1 1 51 51 ILE H H 1 7.658 . . . . . . A 75 ILE H . 36001 1 533 . 1 1 51 51 ILE HA H 1 4.053 . . . . . . A 75 ILE HA . 36001 1 534 . 1 1 51 51 ILE HB H 1 1.661 . . . . . . A 75 ILE HB . 36001 1 535 . 1 1 51 51 ILE HG12 H 1 0.908 . . . . . . A 75 ILE HG12 . 36001 1 536 . 1 1 51 51 ILE HG13 H 1 1.448 . . . . . . A 75 ILE HG13 . 36001 1 537 . 1 1 51 51 ILE HG21 H 1 0.807 . . . . . . A 75 ILE HG21 . 36001 1 538 . 1 1 51 51 ILE HG22 H 1 0.807 . . . . . . A 75 ILE HG22 . 36001 1 539 . 1 1 51 51 ILE HG23 H 1 0.807 . . . . . . A 75 ILE HG23 . 36001 1 540 . 1 1 51 51 ILE HD11 H 1 0.796 . . . . . . A 75 ILE HD11 . 36001 1 541 . 1 1 51 51 ILE HD12 H 1 0.796 . . . . . . A 75 ILE HD12 . 36001 1 542 . 1 1 51 51 ILE HD13 H 1 0.796 . . . . . . A 75 ILE HD13 . 36001 1 543 . 1 1 51 51 ILE C C 13 175.254 . . . . . . A 75 ILE C . 36001 1 544 . 1 1 51 51 ILE CA C 13 60.050 . . . . . . A 75 ILE CA . 36001 1 545 . 1 1 51 51 ILE CB C 13 39.660 . . . . . . A 75 ILE CB . 36001 1 546 . 1 1 51 51 ILE CG1 C 13 26.550 . . . . . . A 75 ILE CG1 . 36001 1 547 . 1 1 51 51 ILE CG2 C 13 17.916 . . . . . . A 75 ILE CG2 . 36001 1 548 . 1 1 51 51 ILE CD1 C 13 14.590 . . . . . . A 75 ILE CD1 . 36001 1 549 . 1 1 51 51 ILE N N 15 121.370 . . . . . . A 75 ILE N . 36001 1 550 . 1 1 52 52 HIS H H 1 8.880 . . . . . . A 76 HIS H . 36001 1 551 . 1 1 52 52 HIS HA H 1 4.595 . . . . . . A 76 HIS HA . 36001 1 552 . 1 1 52 52 HIS HB2 H 1 3.099 . . . . . . A 76 HIS HB2 . 36001 1 553 . 1 1 52 52 HIS HB3 H 1 2.949 . . . . . . A 76 HIS HB3 . 36001 1 554 . 1 1 52 52 HIS HD2 H 1 6.923 . . . . . . A 76 HIS HD2 . 36001 1 555 . 1 1 52 52 HIS HE1 H 1 7.193 . . . . . . A 76 HIS HE1 . 36001 1 556 . 1 1 52 52 HIS C C 13 174.669 . . . . . . A 76 HIS C . 36001 1 557 . 1 1 52 52 HIS CA C 13 56.340 . . . . . . A 76 HIS CA . 36001 1 558 . 1 1 52 52 HIS CB C 13 30.660 . . . . . . A 76 HIS CB . 36001 1 559 . 1 1 52 52 HIS CD2 C 13 119.840 . . . . . . A 76 HIS CD2 . 36001 1 560 . 1 1 52 52 HIS CE1 C 13 133.527 . . . . . . A 76 HIS CE1 . 36001 1 561 . 1 1 52 52 HIS N N 15 119.080 . . . . . . A 76 HIS N . 36001 1 562 . 1 1 53 53 THR H H 1 7.196 . . . . . . A 77 THR H . 36001 1 563 . 1 1 53 53 THR HA H 1 4.747 . . . . . . A 77 THR HA . 36001 1 564 . 1 1 53 53 THR HB H 1 4.615 . . . . . . A 77 THR HB . 36001 1 565 . 1 1 53 53 THR HG21 H 1 1.174 . . . . . . A 77 THR HG21 . 36001 1 566 . 1 1 53 53 THR HG22 H 1 1.174 . . . . . . A 77 THR HG22 . 36001 1 567 . 1 1 53 53 THR HG23 H 1 1.174 . . . . . . A 77 THR HG23 . 36001 1 568 . 1 1 53 53 THR C C 13 174.063 . . . . . . A 77 THR C . 36001 1 569 . 1 1 53 53 THR CA C 13 58.910 . . . . . . A 77 THR CA . 36001 1 570 . 1 1 53 53 THR CB C 13 73.130 . . . . . . A 77 THR CB . 36001 1 571 . 1 1 53 53 THR CG2 C 13 22.190 . . . . . . A 77 THR CG2 . 36001 1 572 . 1 1 53 53 THR N N 15 107.290 . . . . . . A 77 THR N . 36001 1 573 . 1 1 54 54 GLU H H 1 9.120 . . . . . . A 78 GLU H . 36001 1 574 . 1 1 54 54 GLU HA H 1 3.659 . . . . . . A 78 GLU HA . 36001 1 575 . 1 1 54 54 GLU HB3 H 1 2.141 . . . . . . A 78 GLU HB3 . 36001 1 576 . 1 1 54 54 GLU HG2 H 1 2.248 . . . . . . A 78 GLU HG2 . 36001 1 577 . 1 1 54 54 GLU HG3 H 1 2.630 . . . . . . A 78 GLU HG3 . 36001 1 578 . 1 1 54 54 GLU C C 13 177.760 . . . . . . A 78 GLU C . 36001 1 579 . 1 1 54 54 GLU CA C 13 60.050 . . . . . . A 78 GLU CA . 36001 1 580 . 1 1 54 54 GLU CB C 13 29.300 . . . . . . A 78 GLU CB . 36001 1 581 . 1 1 54 54 GLU CG C 13 35.328 . . . . . . A 78 GLU CG . 36001 1 582 . 1 1 54 54 GLU N N 15 123.310 . . . . . . A 78 GLU N . 36001 1 583 . 1 1 55 55 SER H H 1 8.448 . . . . . . A 79 SER H . 36001 1 584 . 1 1 55 55 SER HA H 1 4.028 . . . . . . A 79 SER HA . 36001 1 585 . 1 1 55 55 SER HB2 H 1 3.906 . . . . . . A 79 SER HB2 . 36001 1 586 . 1 1 55 55 SER HB3 H 1 3.938 . . . . . . A 79 SER HB3 . 36001 1 587 . 1 1 55 55 SER C C 13 176.572 . . . . . . A 79 SER C . 36001 1 588 . 1 1 55 55 SER CA C 13 61.130 . . . . . . A 79 SER CA . 36001 1 589 . 1 1 55 55 SER CB C 13 62.500 . . . . . . A 79 SER CB . 36001 1 590 . 1 1 55 55 SER N N 15 114.370 . . . . . . A 79 SER N . 36001 1 591 . 1 1 56 56 ALA HA H 1 4.311 . . . . . . A 80 ALA HA . 36001 1 592 . 1 1 56 56 ALA HB1 H 1 1.579 . . . . . . A 80 ALA HB1 . 36001 1 593 . 1 1 56 56 ALA HB2 H 1 1.579 . . . . . . A 80 ALA HB2 . 36001 1 594 . 1 1 56 56 ALA HB3 H 1 1.579 . . . . . . A 80 ALA HB3 . 36001 1 595 . 1 1 56 56 ALA C C 13 180.301 . . . . . . A 80 ALA C . 36001 1 596 . 1 1 56 56 ALA CA C 13 55.110 . . . . . . A 80 ALA CA . 36001 1 597 . 1 1 56 56 ALA CB C 13 19.010 . . . . . . A 80 ALA CB . 36001 1 598 . 1 1 57 57 CYS H H 1 7.890 . . . . . . A 81 CYS H . 36001 1 599 . 1 1 57 57 CYS HA H 1 3.701 . . . . . . A 81 CYS HA . 36001 1 600 . 1 1 57 57 CYS HB2 H 1 3.178 . . . . . . A 81 CYS HB2 . 36001 1 601 . 1 1 57 57 CYS HB3 H 1 2.828 . . . . . . A 81 CYS HB3 . 36001 1 602 . 1 1 57 57 CYS C C 13 175.290 . . . . . . A 81 CYS C . 36001 1 603 . 1 1 57 57 CYS CA C 13 62.220 . . . . . . A 81 CYS CA . 36001 1 604 . 1 1 57 57 CYS CB C 13 27.200 . . . . . . A 81 CYS CB . 36001 1 605 . 1 1 57 57 CYS N N 15 118.870 . . . . . . A 81 CYS N . 36001 1 606 . 1 1 58 58 ARG H H 1 8.414 . . . . . . A 82 ARG H . 36001 1 607 . 1 1 58 58 ARG HA H 1 3.161 . . . . . . A 82 ARG HA . 36001 1 608 . 1 1 58 58 ARG HB3 H 1 1.620 . . . . . . A 82 ARG HB3 . 36001 1 609 . 1 1 58 58 ARG HG2 H 1 1.666 . . . . . . A 82 ARG HG2 . 36001 1 610 . 1 1 58 58 ARG HG3 H 1 1.499 . . . . . . A 82 ARG HG3 . 36001 1 611 . 1 1 58 58 ARG HD2 H 1 3.115 . . . . . . A 82 ARG HD2 . 36001 1 612 . 1 1 58 58 ARG HD3 H 1 3.172 . . . . . . A 82 ARG HD3 . 36001 1 613 . 1 1 58 58 ARG C C 13 178.092 . . . . . . A 82 ARG C . 36001 1 614 . 1 1 58 58 ARG CA C 13 59.900 . . . . . . A 82 ARG CA . 36001 1 615 . 1 1 58 58 ARG CB C 13 30.350 . . . . . . A 82 ARG CB . 36001 1 616 . 1 1 58 58 ARG CG C 13 27.540 . . . . . . A 82 ARG CG . 36001 1 617 . 1 1 58 58 ARG CD C 13 43.640 . . . . . . A 82 ARG CD . 36001 1 618 . 1 1 58 58 ARG N N 15 118.610 . . . . . . A 82 ARG N . 36001 1 619 . 1 1 59 59 ASN H H 1 8.390 . . . . . . A 83 ASN H . 36001 1 620 . 1 1 59 59 ASN C C 13 178.477 . . . . . . A 83 ASN C . 36001 1 621 . 1 1 59 59 ASN CA C 13 56.714 . . . . . . A 83 ASN CA . 36001 1 622 . 1 1 59 59 ASN CB C 13 38.360 . . . . . . A 83 ASN CB . 36001 1 623 . 1 1 59 59 ASN N N 15 115.450 . . . . . . A 83 ASN N . 36001 1 624 . 1 1 60 60 GLN H H 1 8.150 . . . . . . A 84 GLN H . 36001 1 625 . 1 1 60 60 GLN HA H 1 4.106 . . . . . . A 84 GLN HA . 36001 1 626 . 1 1 60 60 GLN HB3 H 1 2.161 . . . . . . A 84 GLN HB3 . 36001 1 627 . 1 1 60 60 GLN HG2 H 1 2.431 . . . . . . A 84 GLN HG2 . 36001 1 628 . 1 1 60 60 GLN HG3 H 1 2.369 . . . . . . A 84 GLN HG3 . 36001 1 629 . 1 1 60 60 GLN HE21 H 1 7.478 . . . . . . A 84 GLN HE21 . 36001 1 630 . 1 1 60 60 GLN HE22 H 1 6.880 . . . . . . A 84 GLN HE22 . 36001 1 631 . 1 1 60 60 GLN C C 13 178.420 . . . . . . A 84 GLN C . 36001 1 632 . 1 1 60 60 GLN CA C 13 58.751 . . . . . . A 84 GLN CA . 36001 1 633 . 1 1 60 60 GLN CB C 13 27.839 . . . . . . A 84 GLN CB . 36001 1 634 . 1 1 60 60 GLN CG C 13 33.527 . . . . . . A 84 GLN CG . 36001 1 635 . 1 1 60 60 GLN N N 15 120.650 . . . . . . A 84 GLN N . 36001 1 636 . 1 1 60 60 GLN NE2 N 15 113.280 . . . . . . A 84 GLN NE2 . 36001 1 637 . 1 1 61 61 ILE H H 1 7.900 . . . . . . A 85 ILE H . 36001 1 638 . 1 1 61 61 ILE HA H 1 3.686 . . . . . . A 85 ILE HA . 36001 1 639 . 1 1 61 61 ILE HB H 1 1.933 . . . . . . A 85 ILE HB . 36001 1 640 . 1 1 61 61 ILE HG12 H 1 1.688 . . . . . . A 85 ILE HG12 . 36001 1 641 . 1 1 61 61 ILE HG13 H 1 1.795 . . . . . . A 85 ILE HG13 . 36001 1 642 . 1 1 61 61 ILE HG21 H 1 1.074 . . . . . . A 85 ILE HG21 . 36001 1 643 . 1 1 61 61 ILE HG22 H 1 1.074 . . . . . . A 85 ILE HG22 . 36001 1 644 . 1 1 61 61 ILE HG23 H 1 1.074 . . . . . . A 85 ILE HG23 . 36001 1 645 . 1 1 61 61 ILE HD11 H 1 0.871 . . . . . . A 85 ILE HD11 . 36001 1 646 . 1 1 61 61 ILE HD12 H 1 0.871 . . . . . . A 85 ILE HD12 . 36001 1 647 . 1 1 61 61 ILE HD13 H 1 0.871 . . . . . . A 85 ILE HD13 . 36001 1 648 . 1 1 61 61 ILE C C 13 177.962 . . . . . . A 85 ILE C . 36001 1 649 . 1 1 61 61 ILE CA C 13 65.940 . . . . . . A 85 ILE CA . 36001 1 650 . 1 1 61 61 ILE CB C 13 38.130 . . . . . . A 85 ILE CB . 36001 1 651 . 1 1 61 61 ILE CG1 C 13 29.748 . . . . . . A 85 ILE CG1 . 36001 1 652 . 1 1 61 61 ILE CG2 C 13 17.658 . . . . . . A 85 ILE CG2 . 36001 1 653 . 1 1 61 61 ILE CD1 C 13 15.970 . . . . . . A 85 ILE CD1 . 36001 1 654 . 1 1 61 61 ILE N N 15 121.580 . . . . . . A 85 ILE N . 36001 1 655 . 1 1 62 62 ILE H H 1 8.563 . . . . . . A 86 ILE H . 36001 1 656 . 1 1 62 62 ILE HA H 1 3.803 . . . . . . A 86 ILE HA . 36001 1 657 . 1 1 62 62 ILE HB H 1 1.982 . . . . . . A 86 ILE HB . 36001 1 658 . 1 1 62 62 ILE HG12 H 1 1.264 . . . . . . A 86 ILE HG12 . 36001 1 659 . 1 1 62 62 ILE HG13 H 1 1.769 . . . . . . A 86 ILE HG13 . 36001 1 660 . 1 1 62 62 ILE HG21 H 1 0.962 . . . . . . A 86 ILE HG21 . 36001 1 661 . 1 1 62 62 ILE HG22 H 1 0.962 . . . . . . A 86 ILE HG22 . 36001 1 662 . 1 1 62 62 ILE HG23 H 1 0.962 . . . . . . A 86 ILE HG23 . 36001 1 663 . 1 1 62 62 ILE HD11 H 1 0.866 . . . . . . A 86 ILE HD11 . 36001 1 664 . 1 1 62 62 ILE HD12 H 1 0.866 . . . . . . A 86 ILE HD12 . 36001 1 665 . 1 1 62 62 ILE HD13 H 1 0.866 . . . . . . A 86 ILE HD13 . 36001 1 666 . 1 1 62 62 ILE C C 13 179.326 . . . . . . A 86 ILE C . 36001 1 667 . 1 1 62 62 ILE CA C 13 65.380 . . . . . . A 86 ILE CA . 36001 1 668 . 1 1 62 62 ILE CB C 13 37.750 . . . . . . A 86 ILE CB . 36001 1 669 . 1 1 62 62 ILE CG1 C 13 29.381 . . . . . . A 86 ILE CG1 . 36001 1 670 . 1 1 62 62 ILE CG2 C 13 17.096 . . . . . . A 86 ILE CG2 . 36001 1 671 . 1 1 62 62 ILE CD1 C 13 13.383 . . . . . . A 86 ILE CD1 . 36001 1 672 . 1 1 62 62 ILE N N 15 120.660 . . . . . . A 86 ILE N . 36001 1 673 . 1 1 63 63 SER H H 1 8.098 . . . . . . A 87 SER H . 36001 1 674 . 1 1 63 63 SER C C 13 176.227 . . . . . . A 87 SER C . 36001 1 675 . 1 1 63 63 SER CA C 13 61.990 . . . . . . A 87 SER CA . 36001 1 676 . 1 1 63 63 SER N N 15 116.300 . . . . . . A 87 SER N . 36001 1 677 . 1 1 64 64 ILE HB H 1 1.653 . . . . . . A 88 ILE HB . 36001 1 678 . 1 1 64 64 ILE HG12 H 1 1.444 . . . . . . A 88 ILE HG12 . 36001 1 679 . 1 1 64 64 ILE HG13 H 1 0.903 . . . . . . A 88 ILE HG13 . 36001 1 680 . 1 1 64 64 ILE HD11 H 1 0.836 . . . . . . A 88 ILE HD11 . 36001 1 681 . 1 1 64 64 ILE HD12 H 1 0.836 . . . . . . A 88 ILE HD12 . 36001 1 682 . 1 1 64 64 ILE HD13 H 1 0.836 . . . . . . A 88 ILE HD13 . 36001 1 683 . 1 1 64 64 ILE C C 13 179.516 . . . . . . A 88 ILE C . 36001 1 684 . 1 1 64 64 ILE CA C 13 66.090 . . . . . . A 88 ILE CA . 36001 1 685 . 1 1 64 64 ILE CB C 13 39.741 . . . . . . A 88 ILE CB . 36001 1 686 . 1 1 64 64 ILE CG1 C 13 26.385 . . . . . . A 88 ILE CG1 . 36001 1 687 . 1 1 64 64 ILE CG2 C 13 17.902 . . . . . . A 88 ILE CG2 . 36001 1 688 . 1 1 64 64 ILE CD1 C 13 14.674 . . . . . . A 88 ILE CD1 . 36001 1 689 . 1 1 65 65 MET H H 1 8.540 . . . . . . A 89 MET H . 36001 1 690 . 1 1 65 65 MET HE1 H 1 2.282 . . . . . . A 89 MET HE1 . 36001 1 691 . 1 1 65 65 MET HE2 H 1 2.282 . . . . . . A 89 MET HE2 . 36001 1 692 . 1 1 65 65 MET HE3 H 1 2.282 . . . . . . A 89 MET HE3 . 36001 1 693 . 1 1 65 65 MET C C 13 179.291 . . . . . . A 89 MET C . 36001 1 694 . 1 1 65 65 MET CA C 13 56.260 . . . . . . A 89 MET CA . 36001 1 695 . 1 1 65 65 MET CE C 13 15.964 . . . . . . A 89 MET CE . 36001 1 696 . 1 1 65 65 MET N N 15 119.190 . . . . . . A 89 MET N . 36001 1 697 . 1 1 66 66 ARG H H 1 8.750 . . . . . . A 90 ARG H . 36001 1 698 . 1 1 66 66 ARG HA H 1 4.249 . . . . . . A 90 ARG HA . 36001 1 699 . 1 1 66 66 ARG HB3 H 1 2.104 . . . . . . A 90 ARG HB3 . 36001 1 700 . 1 1 66 66 ARG HG3 H 1 1.901 . . . . . . A 90 ARG HG3 . 36001 1 701 . 1 1 66 66 ARG HD2 H 1 3.192 . . . . . . A 90 ARG HD2 . 36001 1 702 . 1 1 66 66 ARG HD3 H 1 3.278 . . . . . . A 90 ARG HD3 . 36001 1 703 . 1 1 66 66 ARG C C 13 177.953 . . . . . . A 90 ARG C . 36001 1 704 . 1 1 66 66 ARG CA C 13 60.060 . . . . . . A 90 ARG CA . 36001 1 705 . 1 1 66 66 ARG CB C 13 30.400 . . . . . . A 90 ARG CB . 36001 1 706 . 1 1 66 66 ARG CG C 13 27.780 . . . . . . A 90 ARG CG . 36001 1 707 . 1 1 66 66 ARG CD C 13 43.570 . . . . . . A 90 ARG CD . 36001 1 708 . 1 1 66 66 ARG N N 15 123.890 . . . . . . A 90 ARG N . 36001 1 709 . 1 1 67 67 VAL H H 1 8.107 . . . . . . A 91 VAL H . 36001 1 710 . 1 1 67 67 VAL HA H 1 3.780 . . . . . . A 91 VAL HA . 36001 1 711 . 1 1 67 67 VAL HB H 1 2.281 . . . . . . A 91 VAL HB . 36001 1 712 . 1 1 67 67 VAL HG11 H 1 1.184 . . . . . . A 91 VAL HG11 . 36001 1 713 . 1 1 67 67 VAL HG12 H 1 1.184 . . . . . . A 91 VAL HG12 . 36001 1 714 . 1 1 67 67 VAL HG13 H 1 1.184 . . . . . . A 91 VAL HG13 . 36001 1 715 . 1 1 67 67 VAL HG21 H 1 1.068 . . . . . . A 91 VAL HG21 . 36001 1 716 . 1 1 67 67 VAL HG22 H 1 1.068 . . . . . . A 91 VAL HG22 . 36001 1 717 . 1 1 67 67 VAL HG23 H 1 1.068 . . . . . . A 91 VAL HG23 . 36001 1 718 . 1 1 67 67 VAL C C 13 178.677 . . . . . . A 91 VAL C . 36001 1 719 . 1 1 67 67 VAL CA C 13 66.630 . . . . . . A 91 VAL CA . 36001 1 720 . 1 1 67 67 VAL CB C 13 31.457 . . . . . . A 91 VAL CB . 36001 1 721 . 1 1 67 67 VAL CG1 C 13 23.376 . . . . . . A 91 VAL CG1 . 36001 1 722 . 1 1 67 67 VAL CG2 C 13 21.910 . . . . . . A 91 VAL CG2 . 36001 1 723 . 1 1 67 67 VAL N N 15 122.100 . . . . . . A 91 VAL N . 36001 1 724 . 1 1 68 68 TYR HD1 H 1 7.250 . . . . . . A 92 TYR HD1 . 36001 1 725 . 1 1 68 68 TYR HE1 H 1 6.800 . . . . . . A 92 TYR HE1 . 36001 1 726 . 1 1 68 68 TYR C C 13 177.064 . . . . . . A 92 TYR C . 36001 1 727 . 1 1 68 68 TYR CD1 C 13 133.500 . . . . . . A 92 TYR CD1 . 36001 1 728 . 1 1 68 68 TYR CE1 C 13 117.967 . . . . . . A 92 TYR CE1 . 36001 1 729 . 1 1 69 69 GLU H H 1 8.212 . . . . . . A 93 GLU H . 36001 1 730 . 1 1 69 69 GLU HA H 1 3.720 . . . . . . A 93 GLU HA . 36001 1 731 . 1 1 69 69 GLU HB3 H 1 2.146 . . . . . . A 93 GLU HB3 . 36001 1 732 . 1 1 69 69 GLU HG3 H 1 2.570 . . . . . . A 93 GLU HG3 . 36001 1 733 . 1 1 69 69 GLU C C 13 179.665 . . . . . . A 93 GLU C . 36001 1 734 . 1 1 69 69 GLU CA C 13 59.358 . . . . . . A 93 GLU CA . 36001 1 735 . 1 1 69 69 GLU CB C 13 29.227 . . . . . . A 93 GLU CB . 36001 1 736 . 1 1 69 69 GLU CG C 13 35.800 . . . . . . A 93 GLU CG . 36001 1 737 . 1 1 69 69 GLU N N 15 118.150 . . . . . . A 93 GLU N . 36001 1 738 . 1 1 70 70 GLN H H 1 7.724 . . . . . . A 94 GLN H . 36001 1 739 . 1 1 70 70 GLN HA H 1 4.129 . . . . . . A 94 GLN HA . 36001 1 740 . 1 1 70 70 GLN HB3 H 1 2.276 . . . . . . A 94 GLN HB3 . 36001 1 741 . 1 1 70 70 GLN HG2 H 1 2.503 . . . . . . A 94 GLN HG2 . 36001 1 742 . 1 1 70 70 GLN HG3 H 1 2.623 . . . . . . A 94 GLN HG3 . 36001 1 743 . 1 1 70 70 GLN C C 13 178.755 . . . . . . A 94 GLN C . 36001 1 744 . 1 1 70 70 GLN CA C 13 58.830 . . . . . . A 94 GLN CA . 36001 1 745 . 1 1 70 70 GLN CB C 13 28.385 . . . . . . A 94 GLN CB . 36001 1 746 . 1 1 70 70 GLN CG C 13 34.070 . . . . . . A 94 GLN CG . 36001 1 747 . 1 1 70 70 GLN N N 15 120.208 . . . . . . A 94 GLN N . 36001 1 748 . 1 1 71 71 ARG H H 1 8.590 . . . . . . A 95 ARG H . 36001 1 749 . 1 1 71 71 ARG HA H 1 4.099 . . . . . . A 95 ARG HA . 36001 1 750 . 1 1 71 71 ARG HB2 H 1 2.248 . . . . . . A 95 ARG HB2 . 36001 1 751 . 1 1 71 71 ARG HB3 H 1 1.943 . . . . . . A 95 ARG HB3 . 36001 1 752 . 1 1 71 71 ARG C C 13 179.876 . . . . . . A 95 ARG C . 36001 1 753 . 1 1 71 71 ARG CA C 13 57.100 . . . . . . A 95 ARG CA . 36001 1 754 . 1 1 71 71 ARG CB C 13 29.455 . . . . . . A 95 ARG CB . 36001 1 755 . 1 1 71 71 ARG N N 15 123.156 . . . . . . A 95 ARG N . 36001 1 756 . 1 1 72 72 LEU H H 1 8.269 . . . . . . A 96 LEU H . 36001 1 757 . 1 1 72 72 LEU HA H 1 3.818 . . . . . . A 96 LEU HA . 36001 1 758 . 1 1 72 72 LEU HB2 H 1 1.448 . . . . . . A 96 LEU HB2 . 36001 1 759 . 1 1 72 72 LEU HB3 H 1 1.334 . . . . . . A 96 LEU HB3 . 36001 1 760 . 1 1 72 72 LEU HG H 1 1.229 . . . . . . A 96 LEU HG . 36001 1 761 . 1 1 72 72 LEU HD11 H 1 0.612 . . . . . . A 96 LEU HD11 . 36001 1 762 . 1 1 72 72 LEU HD12 H 1 0.612 . . . . . . A 96 LEU HD12 . 36001 1 763 . 1 1 72 72 LEU HD13 H 1 0.612 . . . . . . A 96 LEU HD13 . 36001 1 764 . 1 1 72 72 LEU HD21 H 1 0.677 . . . . . . A 96 LEU HD21 . 36001 1 765 . 1 1 72 72 LEU HD22 H 1 0.677 . . . . . . A 96 LEU HD22 . 36001 1 766 . 1 1 72 72 LEU HD23 H 1 0.677 . . . . . . A 96 LEU HD23 . 36001 1 767 . 1 1 72 72 LEU C C 13 179.612 . . . . . . A 96 LEU C . 36001 1 768 . 1 1 72 72 LEU CA C 13 57.720 . . . . . . A 96 LEU CA . 36001 1 769 . 1 1 72 72 LEU CB C 13 41.990 . . . . . . A 96 LEU CB . 36001 1 770 . 1 1 72 72 LEU CG C 13 26.416 . . . . . . A 96 LEU CG . 36001 1 771 . 1 1 72 72 LEU CD1 C 13 24.440 . . . . . . A 96 LEU CD1 . 36001 1 772 . 1 1 72 72 LEU CD2 C 13 23.180 . . . . . . A 96 LEU CD2 . 36001 1 773 . 1 1 72 72 LEU N N 15 120.520 . . . . . . A 96 LEU N . 36001 1 774 . 1 1 73 73 ALA H H 1 7.449 . . . . . . A 97 ALA H . 36001 1 775 . 1 1 73 73 ALA HA H 1 4.114 . . . . . . A 97 ALA HA . 36001 1 776 . 1 1 73 73 ALA HB1 H 1 1.293 . . . . . . A 97 ALA HB1 . 36001 1 777 . 1 1 73 73 ALA HB2 H 1 1.293 . . . . . . A 97 ALA HB2 . 36001 1 778 . 1 1 73 73 ALA HB3 H 1 1.293 . . . . . . A 97 ALA HB3 . 36001 1 779 . 1 1 73 73 ALA C C 13 178.505 . . . . . . A 97 ALA C . 36001 1 780 . 1 1 73 73 ALA CA C 13 53.740 . . . . . . A 97 ALA CA . 36001 1 781 . 1 1 73 73 ALA CB C 13 18.500 . . . . . . A 97 ALA CB . 36001 1 782 . 1 1 73 73 ALA N N 15 119.230 . . . . . . A 97 ALA N . 36001 1 783 . 1 1 74 74 HIS H H 1 7.602 . . . . . . A 98 HIS H . 36001 1 784 . 1 1 74 74 HIS HA H 1 4.777 . . . . . . A 98 HIS HA . 36001 1 785 . 1 1 74 74 HIS HB2 H 1 3.038 . . . . . . A 98 HIS HB2 . 36001 1 786 . 1 1 74 74 HIS HB3 H 1 3.486 . . . . . . A 98 HIS HB3 . 36001 1 787 . 1 1 74 74 HIS HD2 H 1 7.376 . . . . . . A 98 HIS HD2 . 36001 1 788 . 1 1 74 74 HIS C C 13 174.124 . . . . . . A 98 HIS C . 36001 1 789 . 1 1 74 74 HIS CA C 13 55.160 . . . . . . A 98 HIS CA . 36001 1 790 . 1 1 74 74 HIS CB C 13 29.290 . . . . . . A 98 HIS CB . 36001 1 791 . 1 1 74 74 HIS CD2 C 13 120.200 . . . . . . A 98 HIS CD2 . 36001 1 792 . 1 1 74 74 HIS N N 15 114.230 . . . . . . A 98 HIS N . 36001 1 793 . 1 1 75 75 ARG H H 1 7.566 . . . . . . A 99 ARG H . 36001 1 794 . 1 1 75 75 ARG HA H 1 4.297 . . . . . . A 99 ARG HA . 36001 1 795 . 1 1 75 75 ARG HB2 H 1 1.837 . . . . . . A 99 ARG HB2 . 36001 1 796 . 1 1 75 75 ARG HB3 H 1 1.925 . . . . . . A 99 ARG HB3 . 36001 1 797 . 1 1 75 75 ARG HG2 H 1 1.676 . . . . . . A 99 ARG HG2 . 36001 1 798 . 1 1 75 75 ARG HG3 H 1 1.737 . . . . . . A 99 ARG HG3 . 36001 1 799 . 1 1 75 75 ARG HD3 H 1 3.183 . . . . . . A 99 ARG HD3 . 36001 1 800 . 1 1 75 75 ARG C C 13 175.996 . . . . . . A 99 ARG C . 36001 1 801 . 1 1 75 75 ARG CA C 13 57.500 . . . . . . A 99 ARG CA . 36001 1 802 . 1 1 75 75 ARG CB C 13 30.600 . . . . . . A 99 ARG CB . 36001 1 803 . 1 1 75 75 ARG CG C 13 26.850 . . . . . . A 99 ARG CG . 36001 1 804 . 1 1 75 75 ARG CD C 13 43.656 . . . . . . A 99 ARG CD . 36001 1 805 . 1 1 75 75 ARG N N 15 122.600 . . . . . . A 99 ARG N . 36001 1 806 . 1 1 76 76 GLN H H 1 8.175 . . . . . . A 100 GLN H . 36001 1 807 . 1 1 76 76 GLN HA H 1 4.810 . . . . . . A 100 GLN HA . 36001 1 808 . 1 1 76 76 GLN HB2 H 1 1.880 . . . . . . A 100 GLN HB2 . 36001 1 809 . 1 1 76 76 GLN HB3 H 1 2.188 . . . . . . A 100 GLN HB3 . 36001 1 810 . 1 1 76 76 GLN HG3 H 1 2.434 . . . . . . A 100 GLN HG3 . 36001 1 811 . 1 1 76 76 GLN HE21 H 1 7.471 . . . . . . A 100 GLN HE21 . 36001 1 812 . 1 1 76 76 GLN HE22 H 1 6.921 . . . . . . A 100 GLN HE22 . 36001 1 813 . 1 1 76 76 GLN CA C 13 53.240 . . . . . . A 100 GLN CA . 36001 1 814 . 1 1 76 76 GLN CB C 13 30.010 . . . . . . A 100 GLN CB . 36001 1 815 . 1 1 76 76 GLN CG C 13 33.500 . . . . . . A 100 GLN CG . 36001 1 816 . 1 1 76 76 GLN N N 15 125.130 . . . . . . A 100 GLN N . 36001 1 817 . 1 1 76 76 GLN NE2 N 15 112.155 . . . . . . A 100 GLN NE2 . 36001 1 818 . 1 1 77 77 PRO HA H 1 4.383 . . . . . . A 101 PRO HA . 36001 1 819 . 1 1 77 77 PRO HB2 H 1 1.922 . . . . . . A 101 PRO HB2 . 36001 1 820 . 1 1 77 77 PRO HB3 H 1 2.340 . . . . . . A 101 PRO HB3 . 36001 1 821 . 1 1 77 77 PRO HG2 H 1 2.023 . . . . . . A 101 PRO HG2 . 36001 1 822 . 1 1 77 77 PRO HD2 H 1 3.718 . . . . . . A 101 PRO HD2 . 36001 1 823 . 1 1 77 77 PRO HD3 H 1 3.810 . . . . . . A 101 PRO HD3 . 36001 1 824 . 1 1 77 77 PRO C C 13 177.911 . . . . . . A 101 PRO C . 36001 1 825 . 1 1 77 77 PRO CA C 13 63.980 . . . . . . A 101 PRO CA . 36001 1 826 . 1 1 77 77 PRO CB C 13 32.044 . . . . . . A 101 PRO CB . 36001 1 827 . 1 1 77 77 PRO CG C 13 27.651 . . . . . . A 101 PRO CG . 36001 1 828 . 1 1 77 77 PRO CD C 13 50.875 . . . . . . A 101 PRO CD . 36001 1 829 . 1 1 78 78 GLY H H 1 8.830 . . . . . . A 102 GLY H . 36001 1 830 . 1 1 78 78 GLY HA2 H 1 4.107 . . . . . . A 102 GLY HA2 . 36001 1 831 . 1 1 78 78 GLY HA3 H 1 3.771 . . . . . . A 102 GLY HA3 . 36001 1 832 . 1 1 78 78 GLY C C 13 174.679 . . . . . . A 102 GLY C . 36001 1 833 . 1 1 78 78 GLY CA C 13 45.530 . . . . . . A 102 GLY CA . 36001 1 834 . 1 1 78 78 GLY N N 15 111.760 . . . . . . A 102 GLY N . 36001 1 835 . 1 1 79 79 MET H H 1 7.560 . . . . . . A 103 MET H . 36001 1 836 . 1 1 79 79 MET HA H 1 4.400 . . . . . . A 103 MET HA . 36001 1 837 . 1 1 79 79 MET HB3 H 1 2.133 . . . . . . A 103 MET HB3 . 36001 1 838 . 1 1 79 79 MET HG2 H 1 2.587 . . . . . . A 103 MET HG2 . 36001 1 839 . 1 1 79 79 MET HG3 H 1 2.624 . . . . . . A 103 MET HG3 . 36001 1 840 . 1 1 79 79 MET C C 13 175.755 . . . . . . A 103 MET C . 36001 1 841 . 1 1 79 79 MET CA C 13 55.990 . . . . . . A 103 MET CA . 36001 1 842 . 1 1 79 79 MET CB C 13 33.320 . . . . . . A 103 MET CB . 36001 1 843 . 1 1 79 79 MET CG C 13 32.180 . . . . . . A 103 MET CG . 36001 1 844 . 1 1 79 79 MET N N 15 120.500 . . . . . . A 103 MET N . 36001 1 845 . 1 1 80 80 LYS H H 1 8.655 . . . . . . A 104 LYS H . 36001 1 846 . 1 1 80 80 LYS HA H 1 4.498 . . . . . . A 104 LYS HA . 36001 1 847 . 1 1 80 80 LYS HB2 H 1 1.811 . . . . . . A 104 LYS HB2 . 36001 1 848 . 1 1 80 80 LYS HB3 H 1 1.872 . . . . . . A 104 LYS HB3 . 36001 1 849 . 1 1 80 80 LYS HG2 H 1 1.464 . . . . . . A 104 LYS HG2 . 36001 1 850 . 1 1 80 80 LYS HG3 H 1 1.532 . . . . . . A 104 LYS HG3 . 36001 1 851 . 1 1 80 80 LYS HD3 H 1 1.723 . . . . . . A 104 LYS HD3 . 36001 1 852 . 1 1 80 80 LYS HE3 H 1 3.030 . . . . . . A 104 LYS HE3 . 36001 1 853 . 1 1 80 80 LYS C C 13 176.442 . . . . . . A 104 LYS C . 36001 1 854 . 1 1 80 80 LYS CA C 13 56.280 . . . . . . A 104 LYS CA . 36001 1 855 . 1 1 80 80 LYS CB C 13 33.100 . . . . . . A 104 LYS CB . 36001 1 856 . 1 1 80 80 LYS CG C 13 24.673 . . . . . . A 104 LYS CG . 36001 1 857 . 1 1 80 80 LYS CD C 13 29.100 . . . . . . A 104 LYS CD . 36001 1 858 . 1 1 80 80 LYS CE C 13 42.113 . . . . . . A 104 LYS CE . 36001 1 859 . 1 1 80 80 LYS N N 15 126.050 . . . . . . A 104 LYS N . 36001 1 860 . 1 1 81 81 THR H H 1 8.320 . . . . . . A 105 THR H . 36001 1 861 . 1 1 81 81 THR HA H 1 4.786 . . . . . . A 105 THR HA . 36001 1 862 . 1 1 81 81 THR HB H 1 4.285 . . . . . . A 105 THR HB . 36001 1 863 . 1 1 81 81 THR HG21 H 1 1.198 . . . . . . A 105 THR HG21 . 36001 1 864 . 1 1 81 81 THR HG22 H 1 1.198 . . . . . . A 105 THR HG22 . 36001 1 865 . 1 1 81 81 THR HG23 H 1 1.198 . . . . . . A 105 THR HG23 . 36001 1 866 . 1 1 81 81 THR C C 13 175.160 . . . . . . A 105 THR C . 36001 1 867 . 1 1 81 81 THR CA C 13 60.080 . . . . . . A 105 THR CA . 36001 1 868 . 1 1 81 81 THR CB C 13 70.610 . . . . . . A 105 THR CB . 36001 1 869 . 1 1 81 81 THR CG2 C 13 22.336 . . . . . . A 105 THR CG2 . 36001 1 870 . 1 1 81 81 THR N N 15 117.020 . . . . . . A 105 THR N . 36001 1 871 . 1 1 82 82 THR H H 1 8.650 . . . . . . A 106 THR H . 36001 1 872 . 1 1 82 82 THR HA H 1 4.788 . . . . . . A 106 THR HA . 36001 1 873 . 1 1 82 82 THR HG21 H 1 1.349 . . . . . . A 106 THR HG21 . 36001 1 874 . 1 1 82 82 THR HG22 H 1 1.349 . . . . . . A 106 THR HG22 . 36001 1 875 . 1 1 82 82 THR HG23 H 1 1.349 . . . . . . A 106 THR HG23 . 36001 1 876 . 1 1 82 82 THR C C 13 175.783 . . . . . . A 106 THR C . 36001 1 877 . 1 1 82 82 THR CA C 13 59.580 . . . . . . A 106 THR CA . 36001 1 878 . 1 1 82 82 THR CB C 13 69.551 . . . . . . A 106 THR CB . 36001 1 879 . 1 1 82 82 THR CG2 C 13 22.054 . . . . . . A 106 THR CG2 . 36001 1 880 . 1 1 82 82 THR N N 15 115.060 . . . . . . A 106 THR N . 36001 1 881 . 1 1 83 83 PRO HA H 1 4.349 . . . . . . A 107 PRO HA . 36001 1 882 . 1 1 83 83 PRO HB2 H 1 2.301 . . . . . . A 107 PRO HB2 . 36001 1 883 . 1 1 83 83 PRO HB3 H 1 2.345 . . . . . . A 107 PRO HB3 . 36001 1 884 . 1 1 83 83 PRO HG2 H 1 2.022 . . . . . . A 107 PRO HG2 . 36001 1 885 . 1 1 83 83 PRO HD2 H 1 3.730 . . . . . . A 107 PRO HD2 . 36001 1 886 . 1 1 83 83 PRO HD3 H 1 3.813 . . . . . . A 107 PRO HD3 . 36001 1 887 . 1 1 83 83 PRO C C 13 179.948 . . . . . . A 107 PRO C . 36001 1 888 . 1 1 83 83 PRO CA C 13 65.380 . . . . . . A 107 PRO CA . 36001 1 889 . 1 1 83 83 PRO CB C 13 31.790 . . . . . . A 107 PRO CB . 36001 1 890 . 1 1 83 83 PRO CG C 13 27.520 . . . . . . A 107 PRO CG . 36001 1 891 . 1 1 83 83 PRO CD C 13 50.746 . . . . . . A 107 PRO CD . 36001 1 892 . 1 1 84 84 GLU H H 1 8.774 . . . . . . A 108 GLU H . 36001 1 893 . 1 1 84 84 GLU HA H 1 3.900 . . . . . . A 108 GLU HA . 36001 1 894 . 1 1 84 84 GLU HB2 H 1 2.117 . . . . . . A 108 GLU HB2 . 36001 1 895 . 1 1 84 84 GLU HB3 H 1 1.952 . . . . . . A 108 GLU HB3 . 36001 1 896 . 1 1 84 84 GLU HG3 H 1 2.322 . . . . . . A 108 GLU HG3 . 36001 1 897 . 1 1 84 84 GLU C C 13 178.148 . . . . . . A 108 GLU C . 36001 1 898 . 1 1 84 84 GLU CA C 13 60.470 . . . . . . A 108 GLU CA . 36001 1 899 . 1 1 84 84 GLU CB C 13 29.219 . . . . . . A 108 GLU CB . 36001 1 900 . 1 1 84 84 GLU CG C 13 36.820 . . . . . . A 108 GLU CG . 36001 1 901 . 1 1 84 84 GLU N N 15 118.820 . . . . . . A 108 GLU N . 36001 1 902 . 1 1 85 85 GLU H H 1 7.620 . . . . . . A 109 GLU H . 36001 1 903 . 1 1 85 85 GLU HA H 1 4.088 . . . . . . A 109 GLU HA . 36001 1 904 . 1 1 85 85 GLU HB3 H 1 2.188 . . . . . . A 109 GLU HB3 . 36001 1 905 . 1 1 85 85 GLU HG2 H 1 2.245 . . . . . . A 109 GLU HG2 . 36001 1 906 . 1 1 85 85 GLU HG3 H 1 2.378 . . . . . . A 109 GLU HG3 . 36001 1 907 . 1 1 85 85 GLU C C 13 179.185 . . . . . . A 109 GLU C . 36001 1 908 . 1 1 85 85 GLU CA C 13 59.650 . . . . . . A 109 GLU CA . 36001 1 909 . 1 1 85 85 GLU CB C 13 29.930 . . . . . . A 109 GLU CB . 36001 1 910 . 1 1 85 85 GLU CG C 13 36.510 . . . . . . A 109 GLU CG . 36001 1 911 . 1 1 85 85 GLU N N 15 119.820 . . . . . . A 109 GLU N . 36001 1 912 . 1 1 86 86 ASP H H 1 8.373 . . . . . . A 110 ASP H . 36001 1 913 . 1 1 86 86 ASP HA H 1 4.416 . . . . . . A 110 ASP HA . 36001 1 914 . 1 1 86 86 ASP HB2 H 1 2.835 . . . . . . A 110 ASP HB2 . 36001 1 915 . 1 1 86 86 ASP HB3 H 1 2.695 . . . . . . A 110 ASP HB3 . 36001 1 916 . 1 1 86 86 ASP C C 13 178.823 . . . . . . A 110 ASP C . 36001 1 917 . 1 1 86 86 ASP CA C 13 57.350 . . . . . . A 110 ASP CA . 36001 1 918 . 1 1 86 86 ASP CB C 13 40.010 . . . . . . A 110 ASP CB . 36001 1 919 . 1 1 86 86 ASP N N 15 120.070 . . . . . . A 110 ASP N . 36001 1 920 . 1 1 87 87 GLU H H 1 8.126 . . . . . . A 111 GLU H . 36001 1 921 . 1 1 87 87 GLU HA H 1 4.090 . . . . . . A 111 GLU HA . 36001 1 922 . 1 1 87 87 GLU HB2 H 1 2.042 . . . . . . A 111 GLU HB2 . 36001 1 923 . 1 1 87 87 GLU HG2 H 1 2.245 . . . . . . A 111 GLU HG2 . 36001 1 924 . 1 1 87 87 GLU HG3 H 1 2.376 . . . . . . A 111 GLU HG3 . 36001 1 925 . 1 1 87 87 GLU CA C 13 59.770 . . . . . . A 111 GLU CA . 36001 1 926 . 1 1 87 87 GLU CB C 13 28.790 . . . . . . A 111 GLU CB . 36001 1 927 . 1 1 87 87 GLU CG C 13 36.400 . . . . . . A 111 GLU CG . 36001 1 928 . 1 1 87 87 GLU N N 15 122.460 . . . . . . A 111 GLU N . 36001 1 929 . 1 1 89 89 ASP CA C 13 57.035 . . . . . . A 113 ASP CA . 36001 1 930 . 1 1 89 89 ASP CB C 13 32.839 . . . . . . A 113 ASP CB . 36001 1 931 . 1 1 90 90 GLN H H 1 7.973 . . . . . . A 114 GLN H . 36001 1 932 . 1 1 90 90 GLN HA H 1 4.168 . . . . . . A 114 GLN HA . 36001 1 933 . 1 1 90 90 GLN HB3 H 1 2.280 . . . . . . A 114 GLN HB3 . 36001 1 934 . 1 1 90 90 GLN HG2 H 1 2.506 . . . . . . A 114 GLN HG2 . 36001 1 935 . 1 1 90 90 GLN HG3 H 1 2.626 . . . . . . A 114 GLN HG3 . 36001 1 936 . 1 1 90 90 GLN HE21 H 1 6.858 . . . . . . A 114 GLN HE21 . 36001 1 937 . 1 1 90 90 GLN HE22 H 1 7.516 . . . . . . A 114 GLN HE22 . 36001 1 938 . 1 1 90 90 GLN C C 13 179.998 . . . . . . A 114 GLN C . 36001 1 939 . 1 1 90 90 GLN CA C 13 59.350 . . . . . . A 114 GLN CA . 36001 1 940 . 1 1 90 90 GLN CB C 13 28.429 . . . . . . A 114 GLN CB . 36001 1 941 . 1 1 90 90 GLN CG C 13 34.050 . . . . . . A 114 GLN CG . 36001 1 942 . 1 1 90 90 GLN N N 15 119.813 . . . . . . A 114 GLN N . 36001 1 943 . 1 1 90 90 GLN NE2 N 15 112.800 . . . . . . A 114 GLN NE2 . 36001 1 944 . 1 1 91 91 LEU H H 1 8.246 . . . . . . A 115 LEU H . 36001 1 945 . 1 1 91 91 LEU HA H 1 4.130 . . . . . . A 115 LEU HA . 36001 1 946 . 1 1 91 91 LEU HB3 H 1 2.541 . . . . . . A 115 LEU HB3 . 36001 1 947 . 1 1 91 91 LEU C C 13 179.016 . . . . . . A 115 LEU C . 36001 1 948 . 1 1 91 91 LEU CA C 13 59.350 . . . . . . A 115 LEU CA . 36001 1 949 . 1 1 91 91 LEU CB C 13 36.400 . . . . . . A 115 LEU CB . 36001 1 950 . 1 1 91 91 LEU CG C 13 29.380 . . . . . . A 115 LEU CG . 36001 1 951 . 1 1 91 91 LEU N N 15 123.270 . . . . . . A 115 LEU N . 36001 1 952 . 1 1 92 92 CYS H H 1 8.450 . . . . . . A 116 CYS H . 36001 1 953 . 1 1 92 92 CYS C C 13 176.791 . . . . . . A 116 CYS C . 36001 1 954 . 1 1 92 92 CYS CA C 13 64.260 . . . . . . A 116 CYS CA . 36001 1 955 . 1 1 92 92 CYS N N 15 118.620 . . . . . . A 116 CYS N . 36001 1 956 . 1 1 93 93 ASP H H 1 8.403 . . . . . . A 117 ASP H . 36001 1 957 . 1 1 93 93 ASP HA H 1 4.353 . . . . . . A 117 ASP HA . 36001 1 958 . 1 1 93 93 ASP HB2 H 1 3.101 . . . . . . A 117 ASP HB2 . 36001 1 959 . 1 1 93 93 ASP HB3 H 1 2.812 . . . . . . A 117 ASP HB3 . 36001 1 960 . 1 1 93 93 ASP C C 13 178.732 . . . . . . A 117 ASP C . 36001 1 961 . 1 1 93 93 ASP CA C 13 57.900 . . . . . . A 117 ASP CA . 36001 1 962 . 1 1 93 93 ASP CB C 13 41.660 . . . . . . A 117 ASP CB . 36001 1 963 . 1 1 93 93 ASP N N 15 121.420 . . . . . . A 117 ASP N . 36001 1 964 . 1 1 94 94 GLU H H 1 7.803 . . . . . . A 118 GLU H . 36001 1 965 . 1 1 94 94 GLU HA H 1 4.099 . . . . . . A 118 GLU HA . 36001 1 966 . 1 1 94 94 GLU HB3 H 1 2.188 . . . . . . A 118 GLU HB3 . 36001 1 967 . 1 1 94 94 GLU HG2 H 1 2.376 . . . . . . A 118 GLU HG2 . 36001 1 968 . 1 1 94 94 GLU HG3 H 1 2.245 . . . . . . A 118 GLU HG3 . 36001 1 969 . 1 1 94 94 GLU C C 13 176.618 . . . . . . A 118 GLU C . 36001 1 970 . 1 1 94 94 GLU CA C 13 59.820 . . . . . . A 118 GLU CA . 36001 1 971 . 1 1 94 94 GLU CB C 13 29.480 . . . . . . A 118 GLU CB . 36001 1 972 . 1 1 94 94 GLU CG C 13 36.550 . . . . . . A 118 GLU CG . 36001 1 973 . 1 1 94 94 GLU N N 15 121.050 . . . . . . A 118 GLU N . 36001 1 974 . 1 1 95 95 TRP H H 1 8.663 . . . . . . A 119 TRP H . 36001 1 975 . 1 1 95 95 TRP HB2 H 1 2.258 . . . . . . A 119 TRP HB2 . 36001 1 976 . 1 1 95 95 TRP HD1 H 1 7.471 . . . . . . A 119 TRP HD1 . 36001 1 977 . 1 1 95 95 TRP HE1 H 1 10.266 . . . . . . A 119 TRP HE1 . 36001 1 978 . 1 1 95 95 TRP HE3 H 1 6.500 . . . . . . A 119 TRP HE3 . 36001 1 979 . 1 1 95 95 TRP HZ2 H 1 7.540 . . . . . . A 119 TRP HZ2 . 36001 1 980 . 1 1 95 95 TRP HZ3 H 1 7.200 . . . . . . A 119 TRP HZ3 . 36001 1 981 . 1 1 95 95 TRP HH2 H 1 6.500 . . . . . . A 119 TRP HH2 . 36001 1 982 . 1 1 95 95 TRP C C 13 177.015 . . . . . . A 119 TRP C . 36001 1 983 . 1 1 95 95 TRP CA C 13 59.006 . . . . . . A 119 TRP CA . 36001 1 984 . 1 1 95 95 TRP CD1 C 13 125.840 . . . . . . A 119 TRP CD1 . 36001 1 985 . 1 1 95 95 TRP NE1 N 15 128.650 . . . . . . A 119 TRP NE1 . 36001 1 986 . 1 1 96 96 LYS H H 1 9.075 . . . . . . A 120 LYS H . 36001 1 987 . 1 1 96 96 LYS HA H 1 3.611 . . . . . . A 120 LYS HA . 36001 1 988 . 1 1 96 96 LYS HB2 H 1 2.295 . . . . . . A 120 LYS HB2 . 36001 1 989 . 1 1 96 96 LYS HB3 H 1 2.171 . . . . . . A 120 LYS HB3 . 36001 1 990 . 1 1 96 96 LYS HG3 H 1 1.374 . . . . . . A 120 LYS HG3 . 36001 1 991 . 1 1 96 96 LYS HD2 H 1 1.830 . . . . . . A 120 LYS HD2 . 36001 1 992 . 1 1 96 96 LYS HD3 H 1 1.901 . . . . . . A 120 LYS HD3 . 36001 1 993 . 1 1 96 96 LYS C C 13 179.233 . . . . . . A 120 LYS C . 36001 1 994 . 1 1 96 96 LYS CA C 13 59.640 . . . . . . A 120 LYS CA . 36001 1 995 . 1 1 96 96 LYS CB C 13 32.457 . . . . . . A 120 LYS CB . 36001 1 996 . 1 1 96 96 LYS CG C 13 29.150 . . . . . . A 120 LYS CG . 36001 1 997 . 1 1 96 96 LYS N N 15 120.400 . . . . . . A 120 LYS N . 36001 1 998 . 1 1 97 97 ALA H H 1 8.010 . . . . . . A 121 ALA H . 36001 1 999 . 1 1 97 97 ALA HA H 1 4.125 . . . . . . A 121 ALA HA . 36001 1 1000 . 1 1 97 97 ALA HB1 H 1 1.529 . . . . . . A 121 ALA HB1 . 36001 1 1001 . 1 1 97 97 ALA HB2 H 1 1.529 . . . . . . A 121 ALA HB2 . 36001 1 1002 . 1 1 97 97 ALA HB3 H 1 1.529 . . . . . . A 121 ALA HB3 . 36001 1 1003 . 1 1 97 97 ALA C C 13 180.517 . . . . . . A 121 ALA C . 36001 1 1004 . 1 1 97 97 ALA CA C 13 55.030 . . . . . . A 121 ALA CA . 36001 1 1005 . 1 1 97 97 ALA CB C 13 17.720 . . . . . . A 121 ALA CB . 36001 1 1006 . 1 1 97 97 ALA N N 15 121.050 . . . . . . A 121 ALA N . 36001 1 1007 . 1 1 98 98 ARG H H 1 7.590 . . . . . . A 122 ARG H . 36001 1 1008 . 1 1 98 98 ARG C C 13 175.642 . . . . . . A 122 ARG C . 36001 1 1009 . 1 1 98 98 ARG CA C 13 57.500 . . . . . . A 122 ARG CA . 36001 1 1010 . 1 1 98 98 ARG CB C 13 27.400 . . . . . . A 122 ARG CB . 36001 1 1011 . 1 1 98 98 ARG N N 15 121.800 . . . . . . A 122 ARG N . 36001 1 1012 . 1 1 99 99 LEU H H 1 7.994 . . . . . . A 123 LEU H . 36001 1 1013 . 1 1 99 99 LEU HA H 1 3.574 . . . . . . A 123 LEU HA . 36001 1 1014 . 1 1 99 99 LEU HB2 H 1 3.111 . . . . . . A 123 LEU HB2 . 36001 1 1015 . 1 1 99 99 LEU HB3 H 1 2.894 . . . . . . A 123 LEU HB3 . 36001 1 1016 . 1 1 99 99 LEU HG H 1 0.530 . . . . . . A 123 LEU HG . 36001 1 1017 . 1 1 99 99 LEU HD11 H 1 0.254 . . . . . . A 123 LEU HD11 . 36001 1 1018 . 1 1 99 99 LEU HD12 H 1 0.254 . . . . . . A 123 LEU HD12 . 36001 1 1019 . 1 1 99 99 LEU HD13 H 1 0.254 . . . . . . A 123 LEU HD13 . 36001 1 1020 . 1 1 99 99 LEU CA C 13 57.750 . . . . . . A 123 LEU CA . 36001 1 1021 . 1 1 99 99 LEU CB C 13 40.923 . . . . . . A 123 LEU CB . 36001 1 1022 . 1 1 99 99 LEU CG C 13 25.193 . . . . . . A 123 LEU CG . 36001 1 1023 . 1 1 99 99 LEU CD1 C 13 21.240 . . . . . . A 123 LEU CD1 . 36001 1 1024 . 1 1 99 99 LEU N N 15 119.466 . . . . . . A 123 LEU N . 36001 1 1025 . 1 1 100 100 SER HA H 1 4.521 . . . . . . A 124 SER HA . 36001 1 1026 . 1 1 100 100 SER HB2 H 1 2.849 . . . . . . A 124 SER HB2 . 36001 1 1027 . 1 1 100 100 SER HB3 H 1 3.095 . . . . . . A 124 SER HB3 . 36001 1 1028 . 1 1 100 100 SER C C 13 176.561 . . . . . . A 124 SER C . 36001 1 1029 . 1 1 100 100 SER CA C 13 61.520 . . . . . . A 124 SER CA . 36001 1 1030 . 1 1 100 100 SER CB C 13 62.850 . . . . . . A 124 SER CB . 36001 1 1031 . 1 1 101 101 GLU H H 1 7.877 . . . . . . A 125 GLU H . 36001 1 1032 . 1 1 101 101 GLU HA H 1 4.050 . . . . . . A 125 GLU HA . 36001 1 1033 . 1 1 101 101 GLU HB2 H 1 2.194 . . . . . . A 125 GLU HB2 . 36001 1 1034 . 1 1 101 101 GLU HB3 H 1 2.261 . . . . . . A 125 GLU HB3 . 36001 1 1035 . 1 1 101 101 GLU HG2 H 1 2.251 . . . . . . A 125 GLU HG2 . 36001 1 1036 . 1 1 101 101 GLU HG3 H 1 2.445 . . . . . . A 125 GLU HG3 . 36001 1 1037 . 1 1 101 101 GLU C C 13 178.928 . . . . . . A 125 GLU C . 36001 1 1038 . 1 1 101 101 GLU CA C 13 59.040 . . . . . . A 125 GLU CA . 36001 1 1039 . 1 1 101 101 GLU CB C 13 29.560 . . . . . . A 125 GLU CB . 36001 1 1040 . 1 1 101 101 GLU CG C 13 36.175 . . . . . . A 125 GLU CG . 36001 1 1041 . 1 1 101 101 GLU N N 15 123.870 . . . . . . A 125 GLU N . 36001 1 1042 . 1 1 102 102 LEU H H 1 7.665 . . . . . . A 126 LEU H . 36001 1 1043 . 1 1 102 102 LEU HA H 1 4.140 . . . . . . A 126 LEU HA . 36001 1 1044 . 1 1 102 102 LEU HB2 H 1 1.640 . . . . . . A 126 LEU HB2 . 36001 1 1045 . 1 1 102 102 LEU HB3 H 1 1.542 . . . . . . A 126 LEU HB3 . 36001 1 1046 . 1 1 102 102 LEU HG H 1 0.652 . . . . . . A 126 LEU HG . 36001 1 1047 . 1 1 102 102 LEU HD11 H 1 0.744 . . . . . . A 126 LEU HD11 . 36001 1 1048 . 1 1 102 102 LEU HD12 H 1 0.744 . . . . . . A 126 LEU HD12 . 36001 1 1049 . 1 1 102 102 LEU HD13 H 1 0.744 . . . . . . A 126 LEU HD13 . 36001 1 1050 . 1 1 102 102 LEU C C 13 176.671 . . . . . . A 126 LEU C . 36001 1 1051 . 1 1 102 102 LEU CA C 13 57.100 . . . . . . A 126 LEU CA . 36001 1 1052 . 1 1 102 102 LEU CB C 13 42.260 . . . . . . A 126 LEU CB . 36001 1 1053 . 1 1 102 102 LEU CG C 13 25.290 . . . . . . A 126 LEU CG . 36001 1 1054 . 1 1 102 102 LEU CD1 C 13 23.180 . . . . . . A 126 LEU CD1 . 36001 1 1055 . 1 1 102 102 LEU N N 15 120.170 . . . . . . A 126 LEU N . 36001 1 1056 . 1 1 103 103 GLN C C 13 177.729 . . . . . . A 127 GLN C . 36001 1 1057 . 1 1 103 103 GLN CA C 13 58.300 . . . . . . A 127 GLN CA . 36001 1 1058 . 1 1 103 103 GLN CB C 13 28.070 . . . . . . A 127 GLN CB . 36001 1 1059 . 1 1 104 104 GLN H H 1 8.148 . . . . . . A 128 GLN H . 36001 1 1060 . 1 1 104 104 GLN HA H 1 4.098 . . . . . . A 128 GLN HA . 36001 1 1061 . 1 1 104 104 GLN HB3 H 1 2.040 . . . . . . A 128 GLN HB3 . 36001 1 1062 . 1 1 104 104 GLN HG2 H 1 2.322 . . . . . . A 128 GLN HG2 . 36001 1 1063 . 1 1 104 104 GLN HG3 H 1 2.258 . . . . . . A 128 GLN HG3 . 36001 1 1064 . 1 1 104 104 GLN HE21 H 1 7.356 . . . . . . A 128 GLN HE21 . 36001 1 1065 . 1 1 104 104 GLN HE22 H 1 6.763 . . . . . . A 128 GLN HE22 . 36001 1 1066 . 1 1 104 104 GLN C C 13 177.520 . . . . . . A 128 GLN C . 36001 1 1067 . 1 1 104 104 GLN CA C 13 57.700 . . . . . . A 128 GLN CA . 36001 1 1068 . 1 1 104 104 GLN CB C 13 28.824 . . . . . . A 128 GLN CB . 36001 1 1069 . 1 1 104 104 GLN CG C 13 34.050 . . . . . . A 128 GLN CG . 36001 1 1070 . 1 1 104 104 GLN N N 15 118.820 . . . . . . A 128 GLN N . 36001 1 1071 . 1 1 104 104 GLN NE2 N 15 112.340 . . . . . . A 128 GLN NE2 . 36001 1 1072 . 1 1 105 105 TYR H H 1 7.860 . . . . . . A 129 TYR H . 36001 1 1073 . 1 1 105 105 TYR HA H 1 4.400 . . . . . . A 129 TYR HA . 36001 1 1074 . 1 1 105 105 TYR HB2 H 1 3.033 . . . . . . A 129 TYR HB2 . 36001 1 1075 . 1 1 105 105 TYR HB3 H 1 3.209 . . . . . . A 129 TYR HB3 . 36001 1 1076 . 1 1 105 105 TYR HD1 H 1 7.140 . . . . . . A 129 TYR HD1 . 36001 1 1077 . 1 1 105 105 TYR HE1 H 1 6.795 . . . . . . A 129 TYR HE1 . 36001 1 1078 . 1 1 105 105 TYR CA C 13 59.460 . . . . . . A 129 TYR CA . 36001 1 1079 . 1 1 105 105 TYR CB C 13 38.180 . . . . . . A 129 TYR CB . 36001 1 1080 . 1 1 105 105 TYR CD1 C 13 133.150 . . . . . . A 129 TYR CD1 . 36001 1 1081 . 1 1 105 105 TYR CE1 C 13 118.209 . . . . . . A 129 TYR CE1 . 36001 1 1082 . 1 1 105 105 TYR N N 15 120.140 . . . . . . A 129 TYR N . 36001 1 1083 . 1 1 106 106 ARG H H 1 7.851 . . . . . . A 130 ARG H . 36001 1 1084 . 1 1 106 106 ARG HA H 1 4.101 . . . . . . A 130 ARG HA . 36001 1 1085 . 1 1 106 106 ARG HB3 H 1 1.895 . . . . . . A 130 ARG HB3 . 36001 1 1086 . 1 1 106 106 ARG HG2 H 1 1.663 . . . . . . A 130 ARG HG2 . 36001 1 1087 . 1 1 106 106 ARG HG3 H 1 1.744 . . . . . . A 130 ARG HG3 . 36001 1 1088 . 1 1 106 106 ARG HD3 H 1 3.206 . . . . . . A 130 ARG HD3 . 36001 1 1089 . 1 1 106 106 ARG C C 13 177.498 . . . . . . A 130 ARG C . 36001 1 1090 . 1 1 106 106 ARG CA C 13 57.700 . . . . . . A 130 ARG CA . 36001 1 1091 . 1 1 106 106 ARG CB C 13 30.700 . . . . . . A 130 ARG CB . 36001 1 1092 . 1 1 106 106 ARG CG C 13 27.228 . . . . . . A 130 ARG CG . 36001 1 1093 . 1 1 106 106 ARG CD C 13 43.567 . . . . . . A 130 ARG CD . 36001 1 1094 . 1 1 106 106 ARG N N 15 121.050 . . . . . . A 130 ARG N . 36001 1 1095 . 1 1 107 107 GLU H H 1 8.140 . . . . . . A 131 GLU H . 36001 1 1096 . 1 1 107 107 GLU HA H 1 4.099 . . . . . . A 131 GLU HA . 36001 1 1097 . 1 1 107 107 GLU HB3 H 1 1.999 . . . . . . A 131 GLU HB3 . 36001 1 1098 . 1 1 107 107 GLU HG3 H 1 2.264 . . . . . . A 131 GLU HG3 . 36001 1 1099 . 1 1 107 107 GLU C C 13 177.122 . . . . . . A 131 GLU C . 36001 1 1100 . 1 1 107 107 GLU CA C 13 57.600 . . . . . . A 131 GLU CA . 36001 1 1101 . 1 1 107 107 GLU CB C 13 29.940 . . . . . . A 131 GLU CB . 36001 1 1102 . 1 1 107 107 GLU CG C 13 33.768 . . . . . . A 131 GLU CG . 36001 1 1103 . 1 1 107 107 GLU N N 15 120.420 . . . . . . A 131 GLU N . 36001 1 1104 . 1 1 108 108 LYS H H 1 7.905 . . . . . . A 132 LYS H . 36001 1 1105 . 1 1 108 108 LYS HA H 1 4.131 . . . . . . A 132 LYS HA . 36001 1 1106 . 1 1 108 108 LYS HB2 H 1 1.632 . . . . . . A 132 LYS HB2 . 36001 1 1107 . 1 1 108 108 LYS HB3 H 1 1.607 . . . . . . A 132 LYS HB3 . 36001 1 1108 . 1 1 108 108 LYS HG2 H 1 1.290 . . . . . . A 132 LYS HG2 . 36001 1 1109 . 1 1 108 108 LYS HG3 H 1 1.204 . . . . . . A 132 LYS HG3 . 36001 1 1110 . 1 1 108 108 LYS HE3 H 1 2.899 . . . . . . A 132 LYS HE3 . 36001 1 1111 . 1 1 108 108 LYS C C 13 176.725 . . . . . . A 132 LYS C . 36001 1 1112 . 1 1 108 108 LYS CA C 13 57.070 . . . . . . A 132 LYS CA . 36001 1 1113 . 1 1 108 108 LYS CB C 13 33.160 . . . . . . A 132 LYS CB . 36001 1 1114 . 1 1 108 108 LYS CG C 13 24.672 . . . . . . A 132 LYS CG . 36001 1 1115 . 1 1 108 108 LYS CE C 13 42.184 . . . . . . A 132 LYS CE . 36001 1 1116 . 1 1 108 108 LYS N N 15 120.570 . . . . . . A 132 LYS N . 36001 1 1117 . 1 1 109 109 PHE H H 1 7.956 . . . . . . A 133 PHE H . 36001 1 1118 . 1 1 109 109 PHE HA H 1 4.522 . . . . . . A 133 PHE HA . 36001 1 1119 . 1 1 109 109 PHE HB2 H 1 3.097 . . . . . . A 133 PHE HB2 . 36001 1 1120 . 1 1 109 109 PHE HB3 H 1 2.843 . . . . . . A 133 PHE HB3 . 36001 1 1121 . 1 1 109 109 PHE HD1 H 1 7.079 . . . . . . A 133 PHE HD1 . 36001 1 1122 . 1 1 109 109 PHE HE1 H 1 7.133 . . . . . . A 133 PHE HE1 . 36001 1 1123 . 1 1 109 109 PHE HZ H 1 7.221 . . . . . . A 133 PHE HZ . 36001 1 1124 . 1 1 109 109 PHE C C 13 175.617 . . . . . . A 133 PHE C . 36001 1 1125 . 1 1 109 109 PHE CA C 13 58.100 . . . . . . A 133 PHE CA . 36001 1 1126 . 1 1 109 109 PHE CB C 13 39.360 . . . . . . A 133 PHE CB . 36001 1 1127 . 1 1 109 109 PHE CD1 C 13 133.153 . . . . . . A 133 PHE CD1 . 36001 1 1128 . 1 1 109 109 PHE CE1 C 13 131.650 . . . . . . A 133 PHE CE1 . 36001 1 1129 . 1 1 109 109 PHE CZ C 13 132.028 . . . . . . A 133 PHE CZ . 36001 1 1130 . 1 1 109 109 PHE N N 15 119.840 . . . . . . A 133 PHE N . 36001 1 1131 . 1 1 110 110 LEU H H 1 7.885 . . . . . . A 134 LEU H . 36001 1 1132 . 1 1 110 110 LEU HA H 1 4.350 . . . . . . A 134 LEU HA . 36001 1 1133 . 1 1 110 110 LEU HB2 H 1 1.640 . . . . . . A 134 LEU HB2 . 36001 1 1134 . 1 1 110 110 LEU HB3 H 1 1.540 . . . . . . A 134 LEU HB3 . 36001 1 1135 . 1 1 110 110 LEU C C 13 176.911 . . . . . . A 134 LEU C . 36001 1 1136 . 1 1 110 110 LEU CA C 13 55.230 . . . . . . A 134 LEU CA . 36001 1 1137 . 1 1 110 110 LEU CB C 13 42.340 . . . . . . A 134 LEU CB . 36001 1 1138 . 1 1 110 110 LEU N N 15 123.320 . . . . . . A 134 LEU N . 36001 1 1139 . 1 1 111 111 VAL H H 1 7.947 . . . . . . A 135 VAL H . 36001 1 1140 . 1 1 111 111 VAL HA H 1 4.107 . . . . . . A 135 VAL HA . 36001 1 1141 . 1 1 111 111 VAL HB H 1 2.086 . . . . . . A 135 VAL HB . 36001 1 1142 . 1 1 111 111 VAL HG11 H 1 0.918 . . . . . . A 135 VAL HG11 . 36001 1 1143 . 1 1 111 111 VAL HG12 H 1 0.918 . . . . . . A 135 VAL HG12 . 36001 1 1144 . 1 1 111 111 VAL HG13 H 1 0.918 . . . . . . A 135 VAL HG13 . 36001 1 1145 . 1 1 111 111 VAL CA C 13 62.250 . . . . . . A 135 VAL CA . 36001 1 1146 . 1 1 111 111 VAL CB C 13 33.060 . . . . . . A 135 VAL CB . 36001 1 1147 . 1 1 111 111 VAL CG1 C 13 21.004 . . . . . . A 135 VAL CG1 . 36001 1 1148 . 1 1 111 111 VAL N N 15 121.080 . . . . . . A 135 VAL N . 36001 1 stop_ save_