data_34041 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34041 _Entry.Title ; Solution structure of Rtt103 CTD-interacting domain bound to a Thr4 phosphorylated CTD peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-14 _Entry.Accession_date 2016-09-14 _Entry.Last_release_date 2017-05-04 _Entry.Original_release_date 2017-05-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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 O. Jasnovidova O. . . . 34041 2 K. Kubicek K. . . . 34041 3 M. Krejcikova M. . . . 34041 4 R. Stefl R. . . . 34041 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CTD-interacting domain' . 34041 'RNAPII CTD' . 34041 transcription . 34041 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34041 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 34041 '15N chemical shifts' 144 34041 '1H chemical shifts' 998 34041 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 . . 2017-06-28 2016-09-14 update BMRB 'update entry citation' 34041 1 . . 2017-05-08 2016-09-14 original author 'original release' 34041 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LVF 'BMRB Entry Tracking System' 34041 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34041 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.15252/embr.201643723 _Citation.PubMed_ID 28468956 _Citation.Full_citation . _Citation.Title ; Structural insight into recognition of phosphorylated threonine-4 of RNA polymerase II C-terminal domain by Rtt103p ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Embo Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-3178 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 906 _Citation.Page_last 913 _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 O. Jasnovidova O. . . . 34041 1 2 M. Krejcikova M. . . . 34041 1 3 K. Kubicek K. . . . 34041 1 4 R. Stefl R. . . . 34041 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34041 _Assembly.ID 1 _Assembly.Name 'Regulator of Ty1 transposition protein 103, PRO-SER-TYR-SER-PRO-PTH-SER-PRO-SER-TYR-SER-PRO-THR-SER-PRO-SER' _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 . . . . . . 34041 1 2 entity_2 2 $entity_2 B B no . . . . . . 34041 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34041 _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 ; MAFSSEQFTTKLNTLEDSQE SISSASKWLLLQYRDAPKVA EMWKEYMLRPSVNTRRKLLG LYLMNHVVQQAKGQKIIQFQ DSFGKVAAEVLGRINQEFPR DLKKKLSRVVNILKERNIFS KQVVNDIERSLAAALEHHHH HH ; _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16569.100 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34041 1 2 . ALA . 34041 1 3 . PHE . 34041 1 4 . SER . 34041 1 5 . SER . 34041 1 6 . GLU . 34041 1 7 . GLN . 34041 1 8 . PHE . 34041 1 9 . THR . 34041 1 10 . THR . 34041 1 11 . LYS . 34041 1 12 . LEU . 34041 1 13 . ASN . 34041 1 14 . THR . 34041 1 15 . LEU . 34041 1 16 . GLU . 34041 1 17 . ASP . 34041 1 18 . SER . 34041 1 19 . GLN . 34041 1 20 . GLU . 34041 1 21 . SER . 34041 1 22 . ILE . 34041 1 23 . SER . 34041 1 24 . SER . 34041 1 25 . ALA . 34041 1 26 . SER . 34041 1 27 . LYS . 34041 1 28 . TRP . 34041 1 29 . LEU . 34041 1 30 . LEU . 34041 1 31 . LEU . 34041 1 32 . GLN . 34041 1 33 . TYR . 34041 1 34 . ARG . 34041 1 35 . ASP . 34041 1 36 . ALA . 34041 1 37 . PRO . 34041 1 38 . LYS . 34041 1 39 . VAL . 34041 1 40 . ALA . 34041 1 41 . GLU . 34041 1 42 . MET . 34041 1 43 . TRP . 34041 1 44 . LYS . 34041 1 45 . GLU . 34041 1 46 . TYR . 34041 1 47 . MET . 34041 1 48 . LEU . 34041 1 49 . ARG . 34041 1 50 . PRO . 34041 1 51 . SER . 34041 1 52 . VAL . 34041 1 53 . ASN . 34041 1 54 . THR . 34041 1 55 . ARG . 34041 1 56 . ARG . 34041 1 57 . LYS . 34041 1 58 . LEU . 34041 1 59 . LEU . 34041 1 60 . GLY . 34041 1 61 . LEU . 34041 1 62 . TYR . 34041 1 63 . LEU . 34041 1 64 . MET . 34041 1 65 . ASN . 34041 1 66 . HIS . 34041 1 67 . VAL . 34041 1 68 . VAL . 34041 1 69 . GLN . 34041 1 70 . GLN . 34041 1 71 . ALA . 34041 1 72 . LYS . 34041 1 73 . GLY . 34041 1 74 . GLN . 34041 1 75 . LYS . 34041 1 76 . ILE . 34041 1 77 . ILE . 34041 1 78 . GLN . 34041 1 79 . PHE . 34041 1 80 . GLN . 34041 1 81 . ASP . 34041 1 82 . SER . 34041 1 83 . PHE . 34041 1 84 . GLY . 34041 1 85 . LYS . 34041 1 86 . VAL . 34041 1 87 . ALA . 34041 1 88 . ALA . 34041 1 89 . GLU . 34041 1 90 . VAL . 34041 1 91 . LEU . 34041 1 92 . GLY . 34041 1 93 . ARG . 34041 1 94 . ILE . 34041 1 95 . ASN . 34041 1 96 . GLN . 34041 1 97 . GLU . 34041 1 98 . PHE . 34041 1 99 . PRO . 34041 1 100 . ARG . 34041 1 101 . ASP . 34041 1 102 . LEU . 34041 1 103 . LYS . 34041 1 104 . LYS . 34041 1 105 . LYS . 34041 1 106 . LEU . 34041 1 107 . SER . 34041 1 108 . ARG . 34041 1 109 . VAL . 34041 1 110 . VAL . 34041 1 111 . ASN . 34041 1 112 . ILE . 34041 1 113 . LEU . 34041 1 114 . LYS . 34041 1 115 . GLU . 34041 1 116 . ARG . 34041 1 117 . ASN . 34041 1 118 . ILE . 34041 1 119 . PHE . 34041 1 120 . SER . 34041 1 121 . LYS . 34041 1 122 . GLN . 34041 1 123 . VAL . 34041 1 124 . VAL . 34041 1 125 . ASN . 34041 1 126 . ASP . 34041 1 127 . ILE . 34041 1 128 . GLU . 34041 1 129 . ARG . 34041 1 130 . SER . 34041 1 131 . LEU . 34041 1 132 . ALA . 34041 1 133 . ALA . 34041 1 134 . ALA . 34041 1 135 . LEU . 34041 1 136 . GLU . 34041 1 137 . HIS . 34041 1 138 . HIS . 34041 1 139 . HIS . 34041 1 140 . HIS . 34041 1 141 . HIS . 34041 1 142 . HIS . 34041 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34041 1 . ALA 2 2 34041 1 . PHE 3 3 34041 1 . SER 4 4 34041 1 . SER 5 5 34041 1 . GLU 6 6 34041 1 . GLN 7 7 34041 1 . PHE 8 8 34041 1 . THR 9 9 34041 1 . THR 10 10 34041 1 . LYS 11 11 34041 1 . LEU 12 12 34041 1 . ASN 13 13 34041 1 . THR 14 14 34041 1 . LEU 15 15 34041 1 . GLU 16 16 34041 1 . ASP 17 17 34041 1 . SER 18 18 34041 1 . GLN 19 19 34041 1 . GLU 20 20 34041 1 . SER 21 21 34041 1 . ILE 22 22 34041 1 . SER 23 23 34041 1 . SER 24 24 34041 1 . ALA 25 25 34041 1 . SER 26 26 34041 1 . LYS 27 27 34041 1 . TRP 28 28 34041 1 . LEU 29 29 34041 1 . LEU 30 30 34041 1 . LEU 31 31 34041 1 . GLN 32 32 34041 1 . TYR 33 33 34041 1 . ARG 34 34 34041 1 . ASP 35 35 34041 1 . ALA 36 36 34041 1 . PRO 37 37 34041 1 . LYS 38 38 34041 1 . VAL 39 39 34041 1 . ALA 40 40 34041 1 . GLU 41 41 34041 1 . MET 42 42 34041 1 . TRP 43 43 34041 1 . LYS 44 44 34041 1 . GLU 45 45 34041 1 . TYR 46 46 34041 1 . MET 47 47 34041 1 . LEU 48 48 34041 1 . ARG 49 49 34041 1 . PRO 50 50 34041 1 . SER 51 51 34041 1 . VAL 52 52 34041 1 . ASN 53 53 34041 1 . THR 54 54 34041 1 . ARG 55 55 34041 1 . ARG 56 56 34041 1 . LYS 57 57 34041 1 . LEU 58 58 34041 1 . LEU 59 59 34041 1 . GLY 60 60 34041 1 . LEU 61 61 34041 1 . TYR 62 62 34041 1 . LEU 63 63 34041 1 . MET 64 64 34041 1 . ASN 65 65 34041 1 . HIS 66 66 34041 1 . VAL 67 67 34041 1 . VAL 68 68 34041 1 . GLN 69 69 34041 1 . GLN 70 70 34041 1 . ALA 71 71 34041 1 . LYS 72 72 34041 1 . GLY 73 73 34041 1 . GLN 74 74 34041 1 . LYS 75 75 34041 1 . ILE 76 76 34041 1 . ILE 77 77 34041 1 . GLN 78 78 34041 1 . PHE 79 79 34041 1 . GLN 80 80 34041 1 . ASP 81 81 34041 1 . SER 82 82 34041 1 . PHE 83 83 34041 1 . GLY 84 84 34041 1 . LYS 85 85 34041 1 . VAL 86 86 34041 1 . ALA 87 87 34041 1 . ALA 88 88 34041 1 . GLU 89 89 34041 1 . VAL 90 90 34041 1 . LEU 91 91 34041 1 . GLY 92 92 34041 1 . ARG 93 93 34041 1 . ILE 94 94 34041 1 . ASN 95 95 34041 1 . GLN 96 96 34041 1 . GLU 97 97 34041 1 . PHE 98 98 34041 1 . PRO 99 99 34041 1 . ARG 100 100 34041 1 . ASP 101 101 34041 1 . LEU 102 102 34041 1 . LYS 103 103 34041 1 . LYS 104 104 34041 1 . LYS 105 105 34041 1 . LEU 106 106 34041 1 . SER 107 107 34041 1 . ARG 108 108 34041 1 . VAL 109 109 34041 1 . VAL 110 110 34041 1 . ASN 111 111 34041 1 . ILE 112 112 34041 1 . LEU 113 113 34041 1 . LYS 114 114 34041 1 . GLU 115 115 34041 1 . ARG 116 116 34041 1 . ASN 117 117 34041 1 . ILE 118 118 34041 1 . PHE 119 119 34041 1 . SER 120 120 34041 1 . LYS 121 121 34041 1 . GLN 122 122 34041 1 . VAL 123 123 34041 1 . VAL 124 124 34041 1 . ASN 125 125 34041 1 . ASP 126 126 34041 1 . ILE 127 127 34041 1 . GLU 128 128 34041 1 . ARG 129 129 34041 1 . SER 130 130 34041 1 . LEU 131 131 34041 1 . ALA 132 132 34041 1 . ALA 133 133 34041 1 . ALA 134 134 34041 1 . LEU 135 135 34041 1 . GLU 136 136 34041 1 . HIS 137 137 34041 1 . HIS 138 138 34041 1 . HIS 139 139 34041 1 . HIS 140 140 34041 1 . HIS 141 141 34041 1 . HIS 142 142 34041 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34041 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PSYSPXSPSYSPTSPS ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _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 1721.669 _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 . PRO . 34041 2 2 . SER . 34041 2 3 . TYR . 34041 2 4 . SER . 34041 2 5 . PRO . 34041 2 6 . TPO . 34041 2 7 . SER . 34041 2 8 . PRO . 34041 2 9 . SER . 34041 2 10 . TYR . 34041 2 11 . SER . 34041 2 12 . PRO . 34041 2 13 . THR . 34041 2 14 . SER . 34041 2 15 . PRO . 34041 2 16 . SER . 34041 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 . PRO 1 1 34041 2 . SER 2 2 34041 2 . TYR 3 3 34041 2 . SER 4 4 34041 2 . PRO 5 5 34041 2 . TPO 6 6 34041 2 . SER 7 7 34041 2 . PRO 8 8 34041 2 . SER 9 9 34041 2 . TYR 10 10 34041 2 . SER 11 11 34041 2 . PRO 12 12 34041 2 . THR 13 13 34041 2 . SER 14 14 34041 2 . PRO 15 15 34041 2 . SER 16 16 34041 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34041 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 559292 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . 'RTT103, YDR289C' . 34041 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 34041 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 34041 _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 . . . . . . . . . . 34041 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34041 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 34041 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID THR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FMO _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 34041 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 34041 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34041 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 34041 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 34041 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 34041 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 34041 TPO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34041 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 34041 TPO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 34041 TPO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 34041 TPO CB CB CB CB . C . . R 0 . . . 1 no no . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 34041 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 34041 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 no no . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 34041 TPO P P P P . P . . N 0 . . . 1 no no . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 34041 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 34041 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 34041 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 34041 TPO C C C C . C . . N 0 . . . 1 no no . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 34041 TPO O O O O . O . . N 0 . . . 1 no no . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 34041 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 34041 TPO H H H H . H . . N 0 . . . 1 no no . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 34041 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 34041 TPO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 34041 TPO HB HB HB HB . H . . N 0 . . . 1 no no . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 34041 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 no no . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 34041 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 no no . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 34041 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 no no . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 34041 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 34041 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 34041 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 34041 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 34041 TPO 2 . SING N H no N 2 . 34041 TPO 3 . SING N H2 no N 3 . 34041 TPO 4 . SING CA CB no N 4 . 34041 TPO 5 . SING CA C no N 5 . 34041 TPO 6 . SING CA HA no N 6 . 34041 TPO 7 . SING CB CG2 no N 7 . 34041 TPO 8 . SING CB OG1 no N 8 . 34041 TPO 9 . SING CB HB no N 9 . 34041 TPO 10 . SING CG2 HG21 no N 10 . 34041 TPO 11 . SING CG2 HG22 no N 11 . 34041 TPO 12 . SING CG2 HG23 no N 12 . 34041 TPO 13 . SING OG1 P no N 13 . 34041 TPO 14 . DOUB P O1P no N 14 . 34041 TPO 15 . SING P O2P no N 15 . 34041 TPO 16 . SING P O3P no N 16 . 34041 TPO 17 . SING O2P HOP2 no N 17 . 34041 TPO 18 . SING O3P HOP3 no N 18 . 34041 TPO 19 . DOUB C O no N 19 . 34041 TPO 20 . SING C OXT no N 20 . 34041 TPO 21 . SING OXT HXT no N 21 . 34041 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34041 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] Rtt103 CID, 1.2 mM pThr4-CTD, 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 'Rtt103 CID' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 34041 1 2 pThr4-CTD 'natural abundance' . . 2 $entity_2 . . 1.2 . . mM 0.2 . . . 34041 1 3 KH2PO4 'natural abundance' . . . . . . 35 . . mM . . . . 34041 1 4 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 34041 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34041 _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' 100 . mM 34041 1 pH 6.8 . pH 34041 1 pressure 760 . mmHg 34041 1 temperature 293 . K 34041 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34041 _Software.ID 1 _Software.Name AMBER _Software.Version 16 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34041 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34041 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34041 _Software.ID 2 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34041 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34041 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34041 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34041 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34041 3 'peak picking' 34041 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34041 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34041 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34041 4 processing 34041 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34041 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34041 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34041 _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 AvanceIII . 950 . . . 34041 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 34041 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 34041 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34041 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34041 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34041 1 4 '4D HCCH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34041 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34041 1 6 'F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34041 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 34041 _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 carbons' . . . . ppm 0 na direct 1 . . . . . 34041 1 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 34041 1 N 15 urea nitrogen . . . . ppm 75 na direct 1 . . . . . 34041 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 34041 _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 1 '3D 1H-15N NOESY' . . . 34041 1 2 '3D 1H-13C NOESY' . . . 34041 1 3 '3D 1H-13C NOESY aromatic' . . . 34041 1 4 '4D HCCH TOCSY' . . . 34041 1 5 '3D HNCA' . . . 34041 1 6 'F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' . . . 34041 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.019 0.005 . 1 . . . A 2 ALA HA . 34041 1 2 . 1 1 2 2 ALA HB1 H 1 1.381 0.005 . 1 . . . A 2 ALA HB1 . 34041 1 3 . 1 1 2 2 ALA HB2 H 1 1.381 0.005 . 1 . . . A 2 ALA HB2 . 34041 1 4 . 1 1 2 2 ALA HB3 H 1 1.381 0.005 . 1 . . . A 2 ALA HB3 . 34041 1 5 . 1 1 2 2 ALA CA C 13 48.956 0.029 . 1 . . . A 2 ALA CA . 34041 1 6 . 1 1 2 2 ALA CB C 13 16.784 0.006 . 1 . . . A 2 ALA CB . 34041 1 7 . 1 1 3 3 PHE H H 1 7.792 0 . 1 . . . A 3 PHE H . 34041 1 8 . 1 1 3 3 PHE HA H 1 4.522 0.005 . 1 . . . A 3 PHE HA . 34041 1 9 . 1 1 3 3 PHE HB2 H 1 2.721 0.006 . 1 . . . A 3 PHE HB2 . 34041 1 10 . 1 1 3 3 PHE HB3 H 1 3.02 0.006 . 1 . . . A 3 PHE HB3 . 34041 1 11 . 1 1 3 3 PHE HD1 H 1 6.996 0.004 . 3 . . . A 3 PHE HD1 . 34041 1 12 . 1 1 3 3 PHE HD2 H 1 6.996 0.004 . 3 . . . A 3 PHE HD2 . 34041 1 13 . 1 1 3 3 PHE HE1 H 1 6.992 0 . 3 . . . A 3 PHE HE1 . 34041 1 14 . 1 1 3 3 PHE HE2 H 1 6.992 0 . 3 . . . A 3 PHE HE2 . 34041 1 15 . 1 1 3 3 PHE CA C 13 55.28 0.016 . 1 . . . A 3 PHE CA . 34041 1 16 . 1 1 3 3 PHE CB C 13 37.603 0.022 . 1 . . . A 3 PHE CB . 34041 1 17 . 1 1 3 3 PHE CD1 C 13 129.211 0.037 . 3 . . . A 3 PHE CD1 . 34041 1 18 . 1 1 3 3 PHE CE1 C 13 129.163 0 . 3 . . . A 3 PHE CE1 . 34041 1 19 . 1 1 3 3 PHE N N 15 120.038 0.013 . 1 . . . A 3 PHE N . 34041 1 20 . 1 1 4 4 SER H H 1 7.792 0 . 1 . . . A 4 SER H . 34041 1 21 . 1 1 4 4 SER N N 15 120.051 0 . 1 . . . A 4 SER N . 34041 1 22 . 1 1 5 5 SER H H 1 8.852 0 . 1 . . . A 5 SER H . 34041 1 23 . 1 1 5 5 SER HA H 1 4.083 0.007 . 1 . . . A 5 SER HA . 34041 1 24 . 1 1 5 5 SER CA C 13 58.853 0 . 1 . . . A 5 SER CA . 34041 1 25 . 1 1 5 5 SER N N 15 122.141 0.031 . 1 . . . A 5 SER N . 34041 1 26 . 1 1 6 6 GLU H H 1 8.659 0.005 . 1 . . . A 6 GLU H . 34041 1 27 . 1 1 6 6 GLU HA H 1 3.961 0.005 . 1 . . . A 6 GLU HA . 34041 1 28 . 1 1 6 6 GLU HB2 H 1 1.808 0.002 . 1 . . . A 6 GLU HB2 . 34041 1 29 . 1 1 6 6 GLU HB3 H 1 1.908 0.002 . 1 . . . A 6 GLU HB3 . 34041 1 30 . 1 1 6 6 GLU HG2 H 1 2.164 0.008 . 2 . . . A 6 GLU HG2 . 34041 1 31 . 1 1 6 6 GLU HG3 H 1 2.164 0.008 . 2 . . . A 6 GLU HG3 . 34041 1 32 . 1 1 6 6 GLU CA C 13 57.193 0.045 . 1 . . . A 6 GLU CA . 34041 1 33 . 1 1 6 6 GLU CB C 13 26.336 0.039 . 1 . . . A 6 GLU CB . 34041 1 34 . 1 1 6 6 GLU CG C 13 33.617 0.01 . 1 . . . A 6 GLU CG . 34041 1 35 . 1 1 6 6 GLU N N 15 122.403 0.006 . 1 . . . A 6 GLU N . 34041 1 36 . 1 1 7 7 GLN H H 1 7.823 0.003 . 1 . . . A 7 GLN H . 34041 1 37 . 1 1 7 7 GLN HA H 1 3.867 0.007 . 1 . . . A 7 GLN HA . 34041 1 38 . 1 1 7 7 GLN HB2 H 1 1.999 0 . 1 . . . A 7 GLN HB2 . 34041 1 39 . 1 1 7 7 GLN HB3 H 1 2.135 0.006 . 1 . . . A 7 GLN HB3 . 34041 1 40 . 1 1 7 7 GLN HG2 H 1 2.324 0.001 . 1 . . . A 7 GLN HG2 . 34041 1 41 . 1 1 7 7 GLN HG3 H 1 2.148 0 . 1 . . . A 7 GLN HG3 . 34041 1 42 . 1 1 7 7 GLN HE21 H 1 6.84 0.002 . 1 . . . A 7 GLN HE21 . 34041 1 43 . 1 1 7 7 GLN HE22 H 1 7.382 0.003 . 1 . . . A 7 GLN HE22 . 34041 1 44 . 1 1 7 7 GLN CA C 13 56.038 0.03 . 1 . . . A 7 GLN CA . 34041 1 45 . 1 1 7 7 GLN CB C 13 26.291 0.025 . 1 . . . A 7 GLN CB . 34041 1 46 . 1 1 7 7 GLN CG C 13 31.64 0.022 . 1 . . . A 7 GLN CG . 34041 1 47 . 1 1 7 7 GLN N N 15 118.989 0.014 . 1 . . . A 7 GLN N . 34041 1 48 . 1 1 7 7 GLN NE2 N 15 111.65 0.015 . 1 . . . A 7 GLN NE2 . 34041 1 49 . 1 1 8 8 PHE H H 1 8.031 0 . 1 . . . A 8 PHE H . 34041 1 50 . 1 1 8 8 PHE HA H 1 4.409 0.005 . 1 . . . A 8 PHE HA . 34041 1 51 . 1 1 8 8 PHE HB2 H 1 3.388 0.007 . 1 . . . A 8 PHE HB2 . 34041 1 52 . 1 1 8 8 PHE HB3 H 1 3.417 0.004 . 1 . . . A 8 PHE HB3 . 34041 1 53 . 1 1 8 8 PHE HD1 H 1 7.456 0.001 . 3 . . . A 8 PHE HD1 . 34041 1 54 . 1 1 8 8 PHE HD2 H 1 7.456 0.001 . 3 . . . A 8 PHE HD2 . 34041 1 55 . 1 1 8 8 PHE HE1 H 1 7.338 0.004 . 3 . . . A 8 PHE HE1 . 34041 1 56 . 1 1 8 8 PHE HE2 H 1 7.338 0.004 . 3 . . . A 8 PHE HE2 . 34041 1 57 . 1 1 8 8 PHE HZ H 1 7.104 0.004 . 1 . . . A 8 PHE HZ . 34041 1 58 . 1 1 8 8 PHE CA C 13 56.914 0.023 . 1 . . . A 8 PHE CA . 34041 1 59 . 1 1 8 8 PHE CB C 13 36.304 0.043 . 1 . . . A 8 PHE CB . 34041 1 60 . 1 1 8 8 PHE CD1 C 13 128.966 0.071 . 3 . . . A 8 PHE CD1 . 34041 1 61 . 1 1 8 8 PHE CD2 C 13 129.037 0 . 3 . . . A 8 PHE CD2 . 34041 1 62 . 1 1 8 8 PHE CE1 C 13 128.391 0.016 . 3 . . . A 8 PHE CE1 . 34041 1 63 . 1 1 8 8 PHE CE2 C 13 128.375 0 . 3 . . . A 8 PHE CE2 . 34041 1 64 . 1 1 8 8 PHE CZ C 13 125.862 0.012 . 1 . . . A 8 PHE CZ . 34041 1 65 . 1 1 8 8 PHE N N 15 119.645 0.001 . 1 . . . A 8 PHE N . 34041 1 66 . 1 1 9 9 THR H H 1 8.585 0 . 1 . . . A 9 THR H . 34041 1 67 . 1 1 9 9 THR HA H 1 3.379 0.006 . 1 . . . A 9 THR HA . 34041 1 68 . 1 1 9 9 THR HB H 1 4.163 0.007 . 1 . . . A 9 THR HB . 34041 1 69 . 1 1 9 9 THR HG21 H 1 1.155 0.008 . 1 . . . A 9 THR HG21 . 34041 1 70 . 1 1 9 9 THR HG22 H 1 1.155 0.008 . 1 . . . A 9 THR HG22 . 34041 1 71 . 1 1 9 9 THR HG23 H 1 1.155 0.008 . 1 . . . A 9 THR HG23 . 34041 1 72 . 1 1 9 9 THR CA C 13 64.746 0.036 . 1 . . . A 9 THR CA . 34041 1 73 . 1 1 9 9 THR CB C 13 65.733 0.077 . 1 . . . A 9 THR CB . 34041 1 74 . 1 1 9 9 THR CG2 C 13 19.438 0.024 . 1 . . . A 9 THR CG2 . 34041 1 75 . 1 1 9 9 THR N N 15 116.035 0.03 . 1 . . . A 9 THR N . 34041 1 76 . 1 1 10 10 THR H H 1 7.963 0 . 1 . . . A 10 THR H . 34041 1 77 . 1 1 10 10 THR HA H 1 3.749 0.006 . 1 . . . A 10 THR HA . 34041 1 78 . 1 1 10 10 THR HB H 1 3.979 0.008 . 1 . . . A 10 THR HB . 34041 1 79 . 1 1 10 10 THR HG21 H 1 0.979 0.006 . 1 . . . A 10 THR HG21 . 34041 1 80 . 1 1 10 10 THR HG22 H 1 0.979 0.006 . 1 . . . A 10 THR HG22 . 34041 1 81 . 1 1 10 10 THR HG23 H 1 0.979 0.006 . 1 . . . A 10 THR HG23 . 34041 1 82 . 1 1 10 10 THR CA C 13 64.213 0.029 . 1 . . . A 10 THR CA . 34041 1 83 . 1 1 10 10 THR CB C 13 65.731 0.054 . 1 . . . A 10 THR CB . 34041 1 84 . 1 1 10 10 THR CG2 C 13 18.87 0.013 . 1 . . . A 10 THR CG2 . 34041 1 85 . 1 1 10 10 THR N N 15 117.277 0.001 . 1 . . . A 10 THR N . 34041 1 86 . 1 1 11 11 LYS H H 1 7.617 0.001 . 1 . . . A 11 LYS H . 34041 1 87 . 1 1 11 11 LYS HA H 1 3.575 0.007 . 1 . . . A 11 LYS HA . 34041 1 88 . 1 1 11 11 LYS HB2 H 1 1.335 0.005 . 1 . . . A 11 LYS HB2 . 34041 1 89 . 1 1 11 11 LYS HB3 H 1 1.638 0.007 . 1 . . . A 11 LYS HB3 . 34041 1 90 . 1 1 11 11 LYS HG2 H 1 0.714 0 . 1 . . . A 11 LYS HG2 . 34041 1 91 . 1 1 11 11 LYS HG3 H 1 0.892 0 . 1 . . . A 11 LYS HG3 . 34041 1 92 . 1 1 11 11 LYS HD2 H 1 0.769 0 . 1 . . . A 11 LYS HD2 . 34041 1 93 . 1 1 11 11 LYS HD3 H 1 0.982 0.007 . 1 . . . A 11 LYS HD3 . 34041 1 94 . 1 1 11 11 LYS HE2 H 1 1.48 0.006 . 1 . . . A 11 LYS HE2 . 34041 1 95 . 1 1 11 11 LYS HE3 H 1 1.654 0.007 . 1 . . . A 11 LYS HE3 . 34041 1 96 . 1 1 11 11 LYS CA C 13 55.797 0.019 . 1 . . . A 11 LYS CA . 34041 1 97 . 1 1 11 11 LYS CB C 13 28.323 0.016 . 1 . . . A 11 LYS CB . 34041 1 98 . 1 1 11 11 LYS CG C 13 21.328 0.007 . 1 . . . A 11 LYS CG . 34041 1 99 . 1 1 11 11 LYS CD C 13 25.113 0.006 . 1 . . . A 11 LYS CD . 34041 1 100 . 1 1 11 11 LYS CE C 13 37.944 0.021 . 1 . . . A 11 LYS CE . 34041 1 101 . 1 1 11 11 LYS N N 15 121.582 0.002 . 1 . . . A 11 LYS N . 34041 1 102 . 1 1 12 12 LEU H H 1 7.893 0.002 . 1 . . . A 12 LEU H . 34041 1 103 . 1 1 12 12 LEU HA H 1 3.465 0.006 . 1 . . . A 12 LEU HA . 34041 1 104 . 1 1 12 12 LEU HB2 H 1 1.004 0.006 . 1 . . . A 12 LEU HB2 . 34041 1 105 . 1 1 12 12 LEU HB3 H 1 0.537 0.009 . 1 . . . A 12 LEU HB3 . 34041 1 106 . 1 1 12 12 LEU HG H 1 0.765 0.007 . 1 . . . A 12 LEU HG . 34041 1 107 . 1 1 12 12 LEU HD11 H 1 0.206 0.004 . 2 . . . A 12 LEU HD11 . 34041 1 108 . 1 1 12 12 LEU HD12 H 1 0.206 0.004 . 2 . . . A 12 LEU HD12 . 34041 1 109 . 1 1 12 12 LEU HD13 H 1 0.206 0.004 . 2 . . . A 12 LEU HD13 . 34041 1 110 . 1 1 12 12 LEU HD21 H 1 -0.365 0.006 . 2 . . . A 12 LEU HD21 . 34041 1 111 . 1 1 12 12 LEU HD22 H 1 -0.365 0.006 . 2 . . . A 12 LEU HD22 . 34041 1 112 . 1 1 12 12 LEU HD23 H 1 -0.365 0.006 . 2 . . . A 12 LEU HD23 . 34041 1 113 . 1 1 12 12 LEU CA C 13 55.354 0.017 . 1 . . . A 12 LEU CA . 34041 1 114 . 1 1 12 12 LEU CB C 13 37.446 0.016 . 1 . . . A 12 LEU CB . 34041 1 115 . 1 1 12 12 LEU CG C 13 24.764 0.034 . 1 . . . A 12 LEU CG . 34041 1 116 . 1 1 12 12 LEU CD1 C 13 20.135 0.016 . 2 . . . A 12 LEU CD1 . 34041 1 117 . 1 1 12 12 LEU CD2 C 13 20.641 0.009 . 2 . . . A 12 LEU CD2 . 34041 1 118 . 1 1 12 12 LEU N N 15 120.003 0.016 . 1 . . . A 12 LEU N . 34041 1 119 . 1 1 13 13 ASN H H 1 8.031 0.003 . 1 . . . A 13 ASN H . 34041 1 120 . 1 1 13 13 ASN HA H 1 4.455 0.009 . 1 . . . A 13 ASN HA . 34041 1 121 . 1 1 13 13 ASN HB2 H 1 2.809 0.009 . 2 . . . A 13 ASN HB2 . 34041 1 122 . 1 1 13 13 ASN HB3 H 1 2.809 0.009 . 2 . . . A 13 ASN HB3 . 34041 1 123 . 1 1 13 13 ASN HD21 H 1 6.965 0.001 . 1 . . . A 13 ASN HD21 . 34041 1 124 . 1 1 13 13 ASN HD22 H 1 7.588 0.006 . 1 . . . A 13 ASN HD22 . 34041 1 125 . 1 1 13 13 ASN CA C 13 51.612 0 . 1 . . . A 13 ASN CA . 34041 1 126 . 1 1 13 13 ASN CB C 13 35.752 0.047 . 1 . . . A 13 ASN CB . 34041 1 127 . 1 1 13 13 ASN N N 15 114.54 0.006 . 1 . . . A 13 ASN N . 34041 1 128 . 1 1 13 13 ASN ND2 N 15 112.932 0.023 . 1 . . . A 13 ASN ND2 . 34041 1 129 . 1 1 14 14 THR H H 1 7.285 0.001 . 1 . . . A 14 THR H . 34041 1 130 . 1 1 14 14 THR HA H 1 4.385 0.006 . 1 . . . A 14 THR HA . 34041 1 131 . 1 1 14 14 THR HB H 1 4.298 0.007 . 1 . . . A 14 THR HB . 34041 1 132 . 1 1 14 14 THR HG21 H 1 1.071 0.006 . 1 . . . A 14 THR HG21 . 34041 1 133 . 1 1 14 14 THR HG22 H 1 1.071 0.006 . 1 . . . A 14 THR HG22 . 34041 1 134 . 1 1 14 14 THR HG23 H 1 1.071 0.006 . 1 . . . A 14 THR HG23 . 34041 1 135 . 1 1 14 14 THR CA C 13 58.097 0.022 . 1 . . . A 14 THR CA . 34041 1 136 . 1 1 14 14 THR CB C 13 67.491 0.056 . 1 . . . A 14 THR CB . 34041 1 137 . 1 1 14 14 THR CG2 C 13 18.601 0.013 . 1 . . . A 14 THR CG2 . 34041 1 138 . 1 1 14 14 THR N N 15 106.092 0 . 1 . . . A 14 THR N . 34041 1 139 . 1 1 15 15 LEU H H 1 6.765 0.003 . 1 . . . A 15 LEU H . 34041 1 140 . 1 1 15 15 LEU HA H 1 3.901 0.001 . 1 . . . A 15 LEU HA . 34041 1 141 . 1 1 15 15 LEU HB2 H 1 1.134 0.002 . 1 . . . A 15 LEU HB2 . 34041 1 142 . 1 1 15 15 LEU HB3 H 1 1.61 0.004 . 1 . . . A 15 LEU HB3 . 34041 1 143 . 1 1 15 15 LEU HG H 1 2.151 0.005 . 1 . . . A 15 LEU HG . 34041 1 144 . 1 1 15 15 LEU HD11 H 1 0.586 0.006 . 2 . . . A 15 LEU HD11 . 34041 1 145 . 1 1 15 15 LEU HD12 H 1 0.586 0.006 . 2 . . . A 15 LEU HD12 . 34041 1 146 . 1 1 15 15 LEU HD13 H 1 0.586 0.006 . 2 . . . A 15 LEU HD13 . 34041 1 147 . 1 1 15 15 LEU HD21 H 1 0.709 0.006 . 2 . . . A 15 LEU HD21 . 34041 1 148 . 1 1 15 15 LEU HD22 H 1 0.709 0.006 . 2 . . . A 15 LEU HD22 . 34041 1 149 . 1 1 15 15 LEU HD23 H 1 0.709 0.006 . 2 . . . A 15 LEU HD23 . 34041 1 150 . 1 1 15 15 LEU CA C 13 53.16 0.02 . 1 . . . A 15 LEU CA . 34041 1 151 . 1 1 15 15 LEU CB C 13 40.336 0.004 . 1 . . . A 15 LEU CB . 34041 1 152 . 1 1 15 15 LEU CG C 13 23.011 0 . 1 . . . A 15 LEU CG . 34041 1 153 . 1 1 15 15 LEU CD1 C 13 20.394 0.011 . 2 . . . A 15 LEU CD1 . 34041 1 154 . 1 1 15 15 LEU CD2 C 13 23.517 0.028 . 2 . . . A 15 LEU CD2 . 34041 1 155 . 1 1 15 15 LEU N N 15 122.424 0.005 . 1 . . . A 15 LEU N . 34041 1 156 . 1 1 16 16 GLU H H 1 8.529 0.01 . 1 . . . A 16 GLU H . 34041 1 157 . 1 1 16 16 GLU HA H 1 4.408 0.006 . 1 . . . A 16 GLU HA . 34041 1 158 . 1 1 16 16 GLU HB2 H 1 1.593 0.008 . 1 . . . A 16 GLU HB2 . 34041 1 159 . 1 1 16 16 GLU HB3 H 1 1.921 0.003 . 1 . . . A 16 GLU HB3 . 34041 1 160 . 1 1 16 16 GLU HG2 H 1 2.077 0.001 . 1 . . . A 16 GLU HG2 . 34041 1 161 . 1 1 16 16 GLU HG3 H 1 2.135 0.004 . 1 . . . A 16 GLU HG3 . 34041 1 162 . 1 1 16 16 GLU CA C 13 51.303 0.012 . 1 . . . A 16 GLU CA . 34041 1 163 . 1 1 16 16 GLU CB C 13 30.835 0.055 . 1 . . . A 16 GLU CB . 34041 1 164 . 1 1 16 16 GLU CG C 13 33.321 0.021 . 1 . . . A 16 GLU CG . 34041 1 165 . 1 1 16 16 GLU N N 15 120.225 0 . 1 . . . A 16 GLU N . 34041 1 166 . 1 1 17 17 ASP H H 1 8.546 0 . 1 . . . A 17 ASP H . 34041 1 167 . 1 1 17 17 ASP HA H 1 4.541 0.004 . 1 . . . A 17 ASP HA . 34041 1 168 . 1 1 17 17 ASP HB2 H 1 2.913 0.008 . 1 . . . A 17 ASP HB2 . 34041 1 169 . 1 1 17 17 ASP HB3 H 1 2.354 0.006 . 1 . . . A 17 ASP HB3 . 34041 1 170 . 1 1 17 17 ASP CA C 13 49.353 0 . 1 . . . A 17 ASP CA . 34041 1 171 . 1 1 17 17 ASP CB C 13 35.756 0.028 . 1 . . . A 17 ASP CB . 34041 1 172 . 1 1 17 17 ASP N N 15 118.153 0 . 1 . . . A 17 ASP N . 34041 1 173 . 1 1 18 18 SER H H 1 8.331 0.009 . 1 . . . A 18 SER H . 34041 1 174 . 1 1 18 18 SER HA H 1 4.918 0.002 . 1 . . . A 18 SER HA . 34041 1 175 . 1 1 18 18 SER HB2 H 1 3.662 0.005 . 1 . . . A 18 SER HB2 . 34041 1 176 . 1 1 18 18 SER HB3 H 1 4.069 0 . 1 . . . A 18 SER HB3 . 34041 1 177 . 1 1 18 18 SER CA C 13 52.902 0 . 1 . . . A 18 SER CA . 34041 1 178 . 1 1 18 18 SER CB C 13 63.368 0 . 1 . . . A 18 SER CB . 34041 1 179 . 1 1 18 18 SER N N 15 117.454 0 . 1 . . . A 18 SER N . 34041 1 180 . 1 1 19 19 GLN H H 1 8.553 0.003 . 1 . . . A 19 GLN H . 34041 1 181 . 1 1 19 19 GLN HA H 1 3.913 0 . 1 . . . A 19 GLN HA . 34041 1 182 . 1 1 19 19 GLN HG2 H 1 2.301 0 . 1 . . . A 19 GLN HG2 . 34041 1 183 . 1 1 19 19 GLN HG3 H 1 2.239 0 . 1 . . . A 19 GLN HG3 . 34041 1 184 . 1 1 19 19 GLN HE21 H 1 7.372 0.001 . 1 . . . A 19 GLN HE21 . 34041 1 185 . 1 1 19 19 GLN HE22 H 1 6.835 0 . 1 . . . A 19 GLN HE22 . 34041 1 186 . 1 1 19 19 GLN CA C 13 56.361 0 . 1 . . . A 19 GLN CA . 34041 1 187 . 1 1 19 19 GLN CB C 13 25.554 0 . 1 . . . A 19 GLN CB . 34041 1 188 . 1 1 19 19 GLN CG C 13 30.471 0.002 . 1 . . . A 19 GLN CG . 34041 1 189 . 1 1 19 19 GLN N N 15 123.368 0.003 . 1 . . . A 19 GLN N . 34041 1 190 . 1 1 19 19 GLN NE2 N 15 110.171 0.006 . 1 . . . A 19 GLN NE2 . 34041 1 191 . 1 1 20 20 GLU H H 1 8.992 0.003 . 1 . . . A 20 GLU H . 34041 1 192 . 1 1 20 20 GLU HA H 1 3.866 0.005 . 1 . . . A 20 GLU HA . 34041 1 193 . 1 1 20 20 GLU HB2 H 1 1.759 0.005 . 1 . . . A 20 GLU HB2 . 34041 1 194 . 1 1 20 20 GLU HB3 H 1 1.901 0 . 1 . . . A 20 GLU HB3 . 34041 1 195 . 1 1 20 20 GLU HG2 H 1 2.115 0.009 . 1 . . . A 20 GLU HG2 . 34041 1 196 . 1 1 20 20 GLU HG3 H 1 2.202 0.001 . 1 . . . A 20 GLU HG3 . 34041 1 197 . 1 1 20 20 GLU CA C 13 56.912 0.013 . 1 . . . A 20 GLU CA . 34041 1 198 . 1 1 20 20 GLU CB C 13 26.549 0.02 . 1 . . . A 20 GLU CB . 34041 1 199 . 1 1 20 20 GLU CG C 13 33.481 0.057 . 1 . . . A 20 GLU CG . 34041 1 200 . 1 1 20 20 GLU N N 15 119.33 0.007 . 1 . . . A 20 GLU N . 34041 1 201 . 1 1 21 21 SER H H 1 7.874 0 . 1 . . . A 21 SER H . 34041 1 202 . 1 1 21 21 SER HA H 1 3.962 0.005 . 1 . . . A 21 SER HA . 34041 1 203 . 1 1 21 21 SER HB2 H 1 3.825 0 . 2 . . . A 21 SER HB2 . 34041 1 204 . 1 1 21 21 SER HB3 H 1 3.825 0 . 2 . . . A 21 SER HB3 . 34041 1 205 . 1 1 21 21 SER CA C 13 58.405 0 . 1 . . . A 21 SER CA . 34041 1 206 . 1 1 21 21 SER N N 15 114.375 0.005 . 1 . . . A 21 SER N . 34041 1 207 . 1 1 22 22 ILE H H 1 7.474 0 . 1 . . . A 22 ILE H . 34041 1 208 . 1 1 22 22 ILE HA H 1 3.527 0.007 . 1 . . . A 22 ILE HA . 34041 1 209 . 1 1 22 22 ILE HB H 1 1.506 0.008 . 1 . . . A 22 ILE HB . 34041 1 210 . 1 1 22 22 ILE HG12 H 1 1.805 0 . 2 . . . A 22 ILE HG12 . 34041 1 211 . 1 1 22 22 ILE HG13 H 1 0.765 0 . 2 . . . A 22 ILE HG13 . 34041 1 212 . 1 1 22 22 ILE HG21 H 1 0.031 0.008 . 1 . . . A 22 ILE HG21 . 34041 1 213 . 1 1 22 22 ILE HG22 H 1 0.031 0.008 . 1 . . . A 22 ILE HG22 . 34041 1 214 . 1 1 22 22 ILE HG23 H 1 0.031 0.008 . 1 . . . A 22 ILE HG23 . 34041 1 215 . 1 1 22 22 ILE HD11 H 1 0.628 0.007 . 1 . . . A 22 ILE HD11 . 34041 1 216 . 1 1 22 22 ILE HD12 H 1 0.628 0.007 . 1 . . . A 22 ILE HD12 . 34041 1 217 . 1 1 22 22 ILE HD13 H 1 0.628 0.007 . 1 . . . A 22 ILE HD13 . 34041 1 218 . 1 1 22 22 ILE CA C 13 59.698 0.063 . 1 . . . A 22 ILE CA . 34041 1 219 . 1 1 22 22 ILE CB C 13 32.733 0.032 . 1 . . . A 22 ILE CB . 34041 1 220 . 1 1 22 22 ILE CG1 C 13 24.006 0.025 . 1 . . . A 22 ILE CG1 . 34041 1 221 . 1 1 22 22 ILE CG2 C 13 15.113 0 . 1 . . . A 22 ILE CG2 . 34041 1 222 . 1 1 22 22 ILE CD1 C 13 7.393 0 . 1 . . . A 22 ILE CD1 . 34041 1 223 . 1 1 22 22 ILE N N 15 116.275 0 . 1 . . . A 22 ILE N . 34041 1 224 . 1 1 23 23 SER H H 1 8.117 0 . 1 . . . A 23 SER H . 34041 1 225 . 1 1 23 23 SER N N 15 113.798 0 . 1 . . . A 23 SER N . 34041 1 226 . 1 1 25 25 ALA H H 1 7.558 0.001 . 1 . . . A 25 ALA H . 34041 1 227 . 1 1 25 25 ALA HA H 1 4.164 0.008 . 1 . . . A 25 ALA HA . 34041 1 228 . 1 1 25 25 ALA HB1 H 1 1.34 0.005 . 1 . . . A 25 ALA HB1 . 34041 1 229 . 1 1 25 25 ALA HB2 H 1 1.34 0.005 . 1 . . . A 25 ALA HB2 . 34041 1 230 . 1 1 25 25 ALA HB3 H 1 1.34 0.005 . 1 . . . A 25 ALA HB3 . 34041 1 231 . 1 1 25 25 ALA CA C 13 52.632 0.04 . 1 . . . A 25 ALA CA . 34041 1 232 . 1 1 25 25 ALA CB C 13 16.166 0.005 . 1 . . . A 25 ALA CB . 34041 1 233 . 1 1 25 25 ALA N N 15 124.581 0.002 . 1 . . . A 25 ALA N . 34041 1 234 . 1 1 26 26 SER H H 1 8.117 0 . 1 . . . A 26 SER H . 34041 1 235 . 1 1 26 26 SER N N 15 113.798 0 . 1 . . . A 26 SER N . 34041 1 236 . 1 1 27 27 LYS H H 1 8.093 0.001 . 1 . . . A 27 LYS H . 34041 1 237 . 1 1 27 27 LYS HA H 1 3.849 0.007 . 1 . . . A 27 LYS HA . 34041 1 238 . 1 1 27 27 LYS HB2 H 1 1.909 0 . 1 . . . A 27 LYS HB2 . 34041 1 239 . 1 1 27 27 LYS HB3 H 1 1.94 0 . 1 . . . A 27 LYS HB3 . 34041 1 240 . 1 1 27 27 LYS HG2 H 1 1.397 0.005 . 1 . . . A 27 LYS HG2 . 34041 1 241 . 1 1 27 27 LYS HG3 H 1 1.599 0.003 . 1 . . . A 27 LYS HG3 . 34041 1 242 . 1 1 27 27 LYS HD2 H 1 1.64 0 . 2 . . . A 27 LYS HD2 . 34041 1 243 . 1 1 27 27 LYS HD3 H 1 1.64 0 . 2 . . . A 27 LYS HD3 . 34041 1 244 . 1 1 27 27 LYS HE2 H 1 2.894 0.003 . 2 . . . A 27 LYS HE2 . 34041 1 245 . 1 1 27 27 LYS HE3 H 1 2.894 0.003 . 2 . . . A 27 LYS HE3 . 34041 1 246 . 1 1 27 27 LYS CA C 13 57.279 0.006 . 1 . . . A 27 LYS CA . 34041 1 247 . 1 1 27 27 LYS CB C 13 29.8 0.012 . 1 . . . A 27 LYS CB . 34041 1 248 . 1 1 27 27 LYS CG C 13 22.635 0.003 . 1 . . . A 27 LYS CG . 34041 1 249 . 1 1 27 27 LYS CD C 13 26.966 0 . 1 . . . A 27 LYS CD . 34041 1 250 . 1 1 27 27 LYS CE C 13 39.379 0 . 1 . . . A 27 LYS CE . 34041 1 251 . 1 1 27 27 LYS N N 15 117.677 0.017 . 1 . . . A 27 LYS N . 34041 1 252 . 1 1 28 28 TRP H H 1 7.322 0.005 . 1 . . . A 28 TRP H . 34041 1 253 . 1 1 28 28 TRP HA H 1 4.167 0.007 . 1 . . . A 28 TRP HA . 34041 1 254 . 1 1 28 28 TRP HB2 H 1 3.277 0.005 . 1 . . . A 28 TRP HB2 . 34041 1 255 . 1 1 28 28 TRP HB3 H 1 3.441 0.004 . 1 . . . A 28 TRP HB3 . 34041 1 256 . 1 1 28 28 TRP HD1 H 1 7.322 0.004 . 1 . . . A 28 TRP HD1 . 34041 1 257 . 1 1 28 28 TRP HE1 H 1 10.249 0.001 . 1 . . . A 28 TRP HE1 . 34041 1 258 . 1 1 28 28 TRP HE3 H 1 7.453 0.004 . 1 . . . A 28 TRP HE3 . 34041 1 259 . 1 1 28 28 TRP HZ2 H 1 7.391 0.001 . 1 . . . A 28 TRP HZ2 . 34041 1 260 . 1 1 28 28 TRP HZ3 H 1 6.7 0 . 1 . . . A 28 TRP HZ3 . 34041 1 261 . 1 1 28 28 TRP HH2 H 1 6.76 0 . 1 . . . A 28 TRP HH2 . 34041 1 262 . 1 1 28 28 TRP CA C 13 58.724 0.032 . 1 . . . A 28 TRP CA . 34041 1 263 . 1 1 28 28 TRP CB C 13 25.181 0.027 . 1 . . . A 28 TRP CB . 34041 1 264 . 1 1 28 28 TRP CD1 C 13 125.273 0.017 . 1 . . . A 28 TRP CD1 . 34041 1 265 . 1 1 28 28 TRP CE3 C 13 117.207 0.049 . 1 . . . A 28 TRP CE3 . 34041 1 266 . 1 1 28 28 TRP CZ2 C 13 112.256 0 . 1 . . . A 28 TRP CZ2 . 34041 1 267 . 1 1 28 28 TRP CZ3 C 13 118.049 0 . 1 . . . A 28 TRP CZ3 . 34041 1 268 . 1 1 28 28 TRP CH2 C 13 120.085 0 . 1 . . . A 28 TRP CH2 . 34041 1 269 . 1 1 28 28 TRP N N 15 117.786 0.02 . 1 . . . A 28 TRP N . 34041 1 270 . 1 1 28 28 TRP NE1 N 15 131.525 0.002 . 1 . . . A 28 TRP NE1 . 34041 1 271 . 1 1 29 29 LEU H H 1 8.252 0 . 1 . . . A 29 LEU H . 34041 1 272 . 1 1 29 29 LEU HA H 1 3.457 0.007 . 1 . . . A 29 LEU HA . 34041 1 273 . 1 1 29 29 LEU HB2 H 1 1.254 0.007 . 1 . . . A 29 LEU HB2 . 34041 1 274 . 1 1 29 29 LEU HB3 H 1 1.787 0.009 . 1 . . . A 29 LEU HB3 . 34041 1 275 . 1 1 29 29 LEU HG H 1 1.762 0.009 . 1 . . . A 29 LEU HG . 34041 1 276 . 1 1 29 29 LEU HD11 H 1 0.757 0.004 . 2 . . . A 29 LEU HD11 . 34041 1 277 . 1 1 29 29 LEU HD12 H 1 0.757 0.004 . 2 . . . A 29 LEU HD12 . 34041 1 278 . 1 1 29 29 LEU HD13 H 1 0.757 0.004 . 2 . . . A 29 LEU HD13 . 34041 1 279 . 1 1 29 29 LEU HD21 H 1 0.65 0.005 . 2 . . . A 29 LEU HD21 . 34041 1 280 . 1 1 29 29 LEU HD22 H 1 0.65 0.005 . 2 . . . A 29 LEU HD22 . 34041 1 281 . 1 1 29 29 LEU HD23 H 1 0.65 0.005 . 2 . . . A 29 LEU HD23 . 34041 1 282 . 1 1 29 29 LEU CA C 13 54.706 0.004 . 1 . . . A 29 LEU CA . 34041 1 283 . 1 1 29 29 LEU CB C 13 39.707 0.037 . 1 . . . A 29 LEU CB . 34041 1 284 . 1 1 29 29 LEU CG C 13 24.315 0.012 . 1 . . . A 29 LEU CG . 34041 1 285 . 1 1 29 29 LEU CD1 C 13 22.803 0.04 . 2 . . . A 29 LEU CD1 . 34041 1 286 . 1 1 29 29 LEU CD2 C 13 22.041 0.032 . 2 . . . A 29 LEU CD2 . 34041 1 287 . 1 1 29 29 LEU N N 15 119.803 0 . 1 . . . A 29 LEU N . 34041 1 288 . 1 1 30 30 LEU H H 1 8.507 0 . 1 . . . A 30 LEU H . 34041 1 289 . 1 1 30 30 LEU HA H 1 3.868 0.004 . 1 . . . A 30 LEU HA . 34041 1 290 . 1 1 30 30 LEU HB2 H 1 1.4 0 . 1 . . . A 30 LEU HB2 . 34041 1 291 . 1 1 30 30 LEU HB3 H 1 1.728 0 . 1 . . . A 30 LEU HB3 . 34041 1 292 . 1 1 30 30 LEU HG H 1 1.632 0.005 . 1 . . . A 30 LEU HG . 34041 1 293 . 1 1 30 30 LEU HD11 H 1 0.657 0.005 . 2 . . . A 30 LEU HD11 . 34041 1 294 . 1 1 30 30 LEU HD12 H 1 0.657 0.005 . 2 . . . A 30 LEU HD12 . 34041 1 295 . 1 1 30 30 LEU HD13 H 1 0.657 0.005 . 2 . . . A 30 LEU HD13 . 34041 1 296 . 1 1 30 30 LEU HD21 H 1 0.557 0.003 . 2 . . . A 30 LEU HD21 . 34041 1 297 . 1 1 30 30 LEU HD22 H 1 0.557 0.003 . 2 . . . A 30 LEU HD22 . 34041 1 298 . 1 1 30 30 LEU HD23 H 1 0.557 0.003 . 2 . . . A 30 LEU HD23 . 34041 1 299 . 1 1 30 30 LEU CA C 13 55.208 0.032 . 1 . . . A 30 LEU CA . 34041 1 300 . 1 1 30 30 LEU CB C 13 39.162 0.02 . 1 . . . A 30 LEU CB . 34041 1 301 . 1 1 30 30 LEU CG C 13 24.791 0.017 . 1 . . . A 30 LEU CG . 34041 1 302 . 1 1 30 30 LEU CD1 C 13 23.017 0.031 . 2 . . . A 30 LEU CD1 . 34041 1 303 . 1 1 30 30 LEU CD2 C 13 21.198 0.084 . 2 . . . A 30 LEU CD2 . 34041 1 304 . 1 1 30 30 LEU N N 15 119.129 0 . 1 . . . A 30 LEU N . 34041 1 305 . 1 1 31 31 LEU H H 1 6.994 0.005 . 1 . . . A 31 LEU H . 34041 1 306 . 1 1 31 31 LEU HA H 1 4.232 0.007 . 1 . . . A 31 LEU HA . 34041 1 307 . 1 1 31 31 LEU HB2 H 1 1.393 0.005 . 1 . . . A 31 LEU HB2 . 34041 1 308 . 1 1 31 31 LEU HB3 H 1 1.741 0.017 . 1 . . . A 31 LEU HB3 . 34041 1 309 . 1 1 31 31 LEU HG H 1 1.868 0.009 . 1 . . . A 31 LEU HG . 34041 1 310 . 1 1 31 31 LEU HD11 H 1 0.851 0.004 . 2 . . . A 31 LEU HD11 . 34041 1 311 . 1 1 31 31 LEU HD12 H 1 0.851 0.004 . 2 . . . A 31 LEU HD12 . 34041 1 312 . 1 1 31 31 LEU HD13 H 1 0.851 0.004 . 2 . . . A 31 LEU HD13 . 34041 1 313 . 1 1 31 31 LEU HD21 H 1 0.883 0.007 . 2 . . . A 31 LEU HD21 . 34041 1 314 . 1 1 31 31 LEU HD22 H 1 0.883 0.007 . 2 . . . A 31 LEU HD22 . 34041 1 315 . 1 1 31 31 LEU HD23 H 1 0.883 0.007 . 2 . . . A 31 LEU HD23 . 34041 1 316 . 1 1 31 31 LEU CA C 13 53.813 0.017 . 1 . . . A 31 LEU CA . 34041 1 317 . 1 1 31 31 LEU CB C 13 39.103 0.042 . 1 . . . A 31 LEU CB . 34041 1 318 . 1 1 31 31 LEU CG C 13 23.694 0.035 . 1 . . . A 31 LEU CG . 34041 1 319 . 1 1 31 31 LEU CD1 C 13 19.679 0.013 . 2 . . . A 31 LEU CD1 . 34041 1 320 . 1 1 31 31 LEU CD2 C 13 22.764 0.032 . 2 . . . A 31 LEU CD2 . 34041 1 321 . 1 1 31 31 LEU N N 15 115.655 0.005 . 1 . . . A 31 LEU N . 34041 1 322 . 1 1 32 32 GLN H H 1 8.061 0.002 . 1 . . . A 32 GLN H . 34041 1 323 . 1 1 32 32 GLN HA H 1 4.364 0.006 . 1 . . . A 32 GLN HA . 34041 1 324 . 1 1 32 32 GLN HB2 H 1 2.045 0.001 . 1 . . . A 32 GLN HB2 . 34041 1 325 . 1 1 32 32 GLN HB3 H 1 1.583 0 . 1 . . . A 32 GLN HB3 . 34041 1 326 . 1 1 32 32 GLN HG2 H 1 1.879 0.005 . 1 . . . A 32 GLN HG2 . 34041 1 327 . 1 1 32 32 GLN HG3 H 1 1.22 0.008 . 1 . . . A 32 GLN HG3 . 34041 1 328 . 1 1 32 32 GLN HE21 H 1 5.506 0 . 1 . . . A 32 GLN HE21 . 34041 1 329 . 1 1 32 32 GLN HE22 H 1 5.829 0.001 . 1 . . . A 32 GLN HE22 . 34041 1 330 . 1 1 32 32 GLN CA C 13 50.427 0.03 . 1 . . . A 32 GLN CA . 34041 1 331 . 1 1 32 32 GLN CB C 13 22.86 0.033 . 1 . . . A 32 GLN CB . 34041 1 332 . 1 1 32 32 GLN CG C 13 28.884 0.011 . 1 . . . A 32 GLN CG . 34041 1 333 . 1 1 32 32 GLN N N 15 117.765 0.002 . 1 . . . A 32 GLN N . 34041 1 334 . 1 1 32 32 GLN NE2 N 15 110.265 0.009 . 1 . . . A 32 GLN NE2 . 34041 1 335 . 1 1 33 33 TYR H H 1 6.768 0.005 . 1 . . . A 33 TYR H . 34041 1 336 . 1 1 33 33 TYR HA H 1 3.442 0.006 . 1 . . . A 33 TYR HA . 34041 1 337 . 1 1 33 33 TYR HB2 H 1 3.084 0.005 . 1 . . . A 33 TYR HB2 . 34041 1 338 . 1 1 33 33 TYR HB3 H 1 2.559 0.006 . 1 . . . A 33 TYR HB3 . 34041 1 339 . 1 1 33 33 TYR HD1 H 1 6.912 0.004 . 3 . . . A 33 TYR HD1 . 34041 1 340 . 1 1 33 33 TYR HD2 H 1 6.912 0.004 . 3 . . . A 33 TYR HD2 . 34041 1 341 . 1 1 33 33 TYR HE1 H 1 6.722 0 . 3 . . . A 33 TYR HE1 . 34041 1 342 . 1 1 33 33 TYR HE2 H 1 6.722 0 . 3 . . . A 33 TYR HE2 . 34041 1 343 . 1 1 33 33 TYR CA C 13 57.544 0.017 . 1 . . . A 33 TYR CA . 34041 1 344 . 1 1 33 33 TYR CB C 13 35.169 0.009 . 1 . . . A 33 TYR CB . 34041 1 345 . 1 1 33 33 TYR CD1 C 13 130.603 0.061 . 3 . . . A 33 TYR CD1 . 34041 1 346 . 1 1 33 33 TYR CD2 C 13 130.664 0 . 3 . . . A 33 TYR CD2 . 34041 1 347 . 1 1 33 33 TYR CE1 C 13 115.503 0 . 3 . . . A 33 TYR CE1 . 34041 1 348 . 1 1 33 33 TYR N N 15 115.868 0.03 . 1 . . . A 33 TYR N . 34041 1 349 . 1 1 34 34 ARG H H 1 7.699 0.002 . 1 . . . A 34 ARG H . 34041 1 350 . 1 1 34 34 ARG HA H 1 3.641 0.007 . 1 . . . A 34 ARG HA . 34041 1 351 . 1 1 34 34 ARG HB2 H 1 1.089 0.013 . 1 . . . A 34 ARG HB2 . 34041 1 352 . 1 1 34 34 ARG HB3 H 1 1.519 0.004 . 1 . . . A 34 ARG HB3 . 34041 1 353 . 1 1 34 34 ARG HG2 H 1 0.847 0 . 1 . . . A 34 ARG HG2 . 34041 1 354 . 1 1 34 34 ARG HG3 H 1 1.078 0.005 . 1 . . . A 34 ARG HG3 . 34041 1 355 . 1 1 34 34 ARG HD2 H 1 2.79 0.008 . 1 . . . A 34 ARG HD2 . 34041 1 356 . 1 1 34 34 ARG HD3 H 1 2.917 0.008 . 1 . . . A 34 ARG HD3 . 34041 1 357 . 1 1 34 34 ARG CA C 13 55.511 0.022 . 1 . . . A 34 ARG CA . 34041 1 358 . 1 1 34 34 ARG CB C 13 26.598 0.075 . 1 . . . A 34 ARG CB . 34041 1 359 . 1 1 34 34 ARG CG C 13 25.43 0.085 . 1 . . . A 34 ARG CG . 34041 1 360 . 1 1 34 34 ARG CD C 13 40.394 0.008 . 1 . . . A 34 ARG CD . 34041 1 361 . 1 1 34 34 ARG N N 15 121.841 0 . 1 . . . A 34 ARG N . 34041 1 362 . 1 1 35 35 ASP H H 1 7.685 0 . 1 . . . A 35 ASP H . 34041 1 363 . 1 1 35 35 ASP HA H 1 4.856 0.006 . 1 . . . A 35 ASP HA . 34041 1 364 . 1 1 35 35 ASP HB2 H 1 1.974 0.008 . 1 . . . A 35 ASP HB2 . 34041 1 365 . 1 1 35 35 ASP HB3 H 1 2.656 0.005 . 1 . . . A 35 ASP HB3 . 34041 1 366 . 1 1 35 35 ASP CA C 13 49.927 0.082 . 1 . . . A 35 ASP CA . 34041 1 367 . 1 1 35 35 ASP CB C 13 39.843 0.008 . 1 . . . A 35 ASP CB . 34041 1 368 . 1 1 35 35 ASP N N 15 117.126 0 . 1 . . . A 35 ASP N . 34041 1 369 . 1 1 36 36 ALA H H 1 6.99 0 . 1 . . . A 36 ALA H . 34041 1 370 . 1 1 36 36 ALA HA H 1 3.413 0.008 . 1 . . . A 36 ALA HA . 34041 1 371 . 1 1 36 36 ALA HB1 H 1 0.514 0.007 . 1 . . . A 36 ALA HB1 . 34041 1 372 . 1 1 36 36 ALA HB2 H 1 0.514 0.007 . 1 . . . A 36 ALA HB2 . 34041 1 373 . 1 1 36 36 ALA HB3 H 1 0.514 0.007 . 1 . . . A 36 ALA HB3 . 34041 1 374 . 1 1 36 36 ALA CA C 13 54.026 0.002 . 1 . . . A 36 ALA CA . 34041 1 375 . 1 1 36 36 ALA CB C 13 13.375 0.006 . 1 . . . A 36 ALA CB . 34041 1 376 . 1 1 36 36 ALA N N 15 121.389 0.001 . 1 . . . A 36 ALA N . 34041 1 377 . 1 1 37 37 PRO HA H 1 3.944 0.005 . 1 . . . A 37 PRO HA . 34041 1 378 . 1 1 37 37 PRO HB2 H 1 1.628 0.011 . 1 . . . A 37 PRO HB2 . 34041 1 379 . 1 1 37 37 PRO HB3 H 1 2.205 0.006 . 1 . . . A 37 PRO HB3 . 34041 1 380 . 1 1 37 37 PRO HG2 H 1 1.913 0.009 . 1 . . . A 37 PRO HG2 . 34041 1 381 . 1 1 37 37 PRO HG3 H 1 1.669 0.011 . 1 . . . A 37 PRO HG3 . 34041 1 382 . 1 1 37 37 PRO HD2 H 1 3.351 0.006 . 2 . . . A 37 PRO HD2 . 34041 1 383 . 1 1 37 37 PRO HD3 H 1 3.351 0.006 . 2 . . . A 37 PRO HD3 . 34041 1 384 . 1 1 37 37 PRO CA C 13 63.995 0.043 . 1 . . . A 37 PRO CA . 34041 1 385 . 1 1 37 37 PRO CB C 13 28.329 0.016 . 1 . . . A 37 PRO CB . 34041 1 386 . 1 1 37 37 PRO CG C 13 25.594 0.026 . 1 . . . A 37 PRO CG . 34041 1 387 . 1 1 37 37 PRO CD C 13 47.575 0.036 . 1 . . . A 37 PRO CD . 34041 1 388 . 1 1 38 38 LYS H H 1 7.021 0.002 . 1 . . . A 38 LYS H . 34041 1 389 . 1 1 38 38 LYS HA H 1 3.951 0.009 . 1 . . . A 38 LYS HA . 34041 1 390 . 1 1 38 38 LYS HB2 H 1 1.645 0.007 . 2 . . . A 38 LYS HB2 . 34041 1 391 . 1 1 38 38 LYS HB3 H 1 1.645 0.007 . 2 . . . A 38 LYS HB3 . 34041 1 392 . 1 1 38 38 LYS HG2 H 1 1.274 0 . 1 . . . A 38 LYS HG2 . 34041 1 393 . 1 1 38 38 LYS HG3 H 1 1.316 0 . 1 . . . A 38 LYS HG3 . 34041 1 394 . 1 1 38 38 LYS HD2 H 1 1.523 0.006 . 2 . . . A 38 LYS HD2 . 34041 1 395 . 1 1 38 38 LYS HD3 H 1 1.523 0.006 . 2 . . . A 38 LYS HD3 . 34041 1 396 . 1 1 38 38 LYS HE2 H 1 2.788 0.012 . 2 . . . A 38 LYS HE2 . 34041 1 397 . 1 1 38 38 LYS HE3 H 1 2.788 0.012 . 2 . . . A 38 LYS HE3 . 34041 1 398 . 1 1 38 38 LYS CA C 13 55.597 0.025 . 1 . . . A 38 LYS CA . 34041 1 399 . 1 1 38 38 LYS CB C 13 29.49 0.009 . 1 . . . A 38 LYS CB . 34041 1 400 . 1 1 38 38 LYS CG C 13 22.236 0.06 . 1 . . . A 38 LYS CG . 34041 1 401 . 1 1 38 38 LYS CD C 13 26.359 0.022 . 1 . . . A 38 LYS CD . 34041 1 402 . 1 1 38 38 LYS CE C 13 39.171 0.05 . 1 . . . A 38 LYS CE . 34041 1 403 . 1 1 38 38 LYS N N 15 118.106 0.014 . 1 . . . A 38 LYS N . 34041 1 404 . 1 1 39 39 VAL H H 1 7.747 0.001 . 1 . . . A 39 VAL H . 34041 1 405 . 1 1 39 39 VAL HA H 1 3.152 0.005 . 1 . . . A 39 VAL HA . 34041 1 406 . 1 1 39 39 VAL HB H 1 2.01 0.005 . 1 . . . A 39 VAL HB . 34041 1 407 . 1 1 39 39 VAL HG11 H 1 0.399 0.006 . 2 . . . A 39 VAL HG11 . 34041 1 408 . 1 1 39 39 VAL HG12 H 1 0.399 0.006 . 2 . . . A 39 VAL HG12 . 34041 1 409 . 1 1 39 39 VAL HG13 H 1 0.399 0.006 . 2 . . . A 39 VAL HG13 . 34041 1 410 . 1 1 39 39 VAL HG21 H 1 0.778 0.004 . 2 . . . A 39 VAL HG21 . 34041 1 411 . 1 1 39 39 VAL HG22 H 1 0.778 0.004 . 2 . . . A 39 VAL HG22 . 34041 1 412 . 1 1 39 39 VAL HG23 H 1 0.778 0.004 . 2 . . . A 39 VAL HG23 . 34041 1 413 . 1 1 39 39 VAL CA C 13 63.567 0.021 . 1 . . . A 39 VAL CA . 34041 1 414 . 1 1 39 39 VAL CB C 13 28.717 0.005 . 1 . . . A 39 VAL CB . 34041 1 415 . 1 1 39 39 VAL CG1 C 13 19.608 0.019 . 2 . . . A 39 VAL CG1 . 34041 1 416 . 1 1 39 39 VAL CG2 C 13 19.703 0.019 . 2 . . . A 39 VAL CG2 . 34041 1 417 . 1 1 39 39 VAL N N 15 119.2 0.006 . 1 . . . A 39 VAL N . 34041 1 418 . 1 1 40 40 ALA H H 1 7.903 0 . 1 . . . A 40 ALA H . 34041 1 419 . 1 1 40 40 ALA HA H 1 3.44 0.008 . 1 . . . A 40 ALA HA . 34041 1 420 . 1 1 40 40 ALA HB1 H 1 0.671 0.005 . 1 . . . A 40 ALA HB1 . 34041 1 421 . 1 1 40 40 ALA HB2 H 1 0.671 0.005 . 1 . . . A 40 ALA HB2 . 34041 1 422 . 1 1 40 40 ALA HB3 H 1 0.671 0.005 . 1 . . . A 40 ALA HB3 . 34041 1 423 . 1 1 40 40 ALA CA C 13 52.779 0.017 . 1 . . . A 40 ALA CA . 34041 1 424 . 1 1 40 40 ALA CB C 13 14.922 0.008 . 1 . . . A 40 ALA CB . 34041 1 425 . 1 1 40 40 ALA N N 15 120.022 0 . 1 . . . A 40 ALA N . 34041 1 426 . 1 1 41 41 GLU H H 1 7.763 0.001 . 1 . . . A 41 GLU H . 34041 1 427 . 1 1 41 41 GLU HA H 1 3.933 0.003 . 1 . . . A 41 GLU HA . 34041 1 428 . 1 1 41 41 GLU HB2 H 1 2.013 0.004 . 2 . . . A 41 GLU HB2 . 34041 1 429 . 1 1 41 41 GLU HB3 H 1 2.013 0.004 . 2 . . . A 41 GLU HB3 . 34041 1 430 . 1 1 41 41 GLU HG2 H 1 2.204 0 . 1 . . . A 41 GLU HG2 . 34041 1 431 . 1 1 41 41 GLU HG3 H 1 2.165 0 . 1 . . . A 41 GLU HG3 . 34041 1 432 . 1 1 41 41 GLU CA C 13 56.68 0.06 . 1 . . . A 41 GLU CA . 34041 1 433 . 1 1 41 41 GLU CB C 13 26.845 0.022 . 1 . . . A 41 GLU CB . 34041 1 434 . 1 1 41 41 GLU CG C 13 33.056 0.07 . 1 . . . A 41 GLU CG . 34041 1 435 . 1 1 41 41 GLU N N 15 117.936 0.003 . 1 . . . A 41 GLU N . 34041 1 436 . 1 1 42 42 MET H H 1 8.506 0.002 . 1 . . . A 42 MET H . 34041 1 437 . 1 1 42 42 MET HA H 1 4.142 0.006 . 1 . . . A 42 MET HA . 34041 1 438 . 1 1 42 42 MET HB2 H 1 1.859 0 . 1 . . . A 42 MET HB2 . 34041 1 439 . 1 1 42 42 MET HB3 H 1 2.006 0 . 1 . . . A 42 MET HB3 . 34041 1 440 . 1 1 42 42 MET HG2 H 1 2.745 0.007 . 1 . . . A 42 MET HG2 . 34041 1 441 . 1 1 42 42 MET HG3 H 1 2.535 0.006 . 1 . . . A 42 MET HG3 . 34041 1 442 . 1 1 42 42 MET HE1 H 1 1.982 0 . 1 . . . A 42 MET HE1 . 34041 1 443 . 1 1 42 42 MET HE2 H 1 1.982 0 . 1 . . . A 42 MET HE2 . 34041 1 444 . 1 1 42 42 MET HE3 H 1 1.982 0 . 1 . . . A 42 MET HE3 . 34041 1 445 . 1 1 42 42 MET CA C 13 56.423 0.022 . 1 . . . A 42 MET CA . 34041 1 446 . 1 1 42 42 MET CB C 13 29.839 0.027 . 1 . . . A 42 MET CB . 34041 1 447 . 1 1 42 42 MET CG C 13 30.529 0.016 . 1 . . . A 42 MET CG . 34041 1 448 . 1 1 42 42 MET CE C 13 14.903 0 . 1 . . . A 42 MET CE . 34041 1 449 . 1 1 42 42 MET N N 15 119.205 0.014 . 1 . . . A 42 MET N . 34041 1 450 . 1 1 43 43 TRP H H 1 8.988 0.001 . 1 . . . A 43 TRP H . 34041 1 451 . 1 1 43 43 TRP HA H 1 4.064 0.009 . 1 . . . A 43 TRP HA . 34041 1 452 . 1 1 43 43 TRP HB2 H 1 3.43 0.005 . 1 . . . A 43 TRP HB2 . 34041 1 453 . 1 1 43 43 TRP HB3 H 1 3.864 0.005 . 1 . . . A 43 TRP HB3 . 34041 1 454 . 1 1 43 43 TRP HD1 H 1 6.972 0.004 . 1 . . . A 43 TRP HD1 . 34041 1 455 . 1 1 43 43 TRP HE1 H 1 9.753 0.004 . 1 . . . A 43 TRP HE1 . 34041 1 456 . 1 1 43 43 TRP HE3 H 1 7.729 0.011 . 1 . . . A 43 TRP HE3 . 34041 1 457 . 1 1 43 43 TRP HZ2 H 1 7.095 0.007 . 1 . . . A 43 TRP HZ2 . 34041 1 458 . 1 1 43 43 TRP HH2 H 1 6.81 0.006 . 1 . . . A 43 TRP HH2 . 34041 1 459 . 1 1 43 43 TRP CA C 13 60.177 0.068 . 1 . . . A 43 TRP CA . 34041 1 460 . 1 1 43 43 TRP CB C 13 26.185 0.024 . 1 . . . A 43 TRP CB . 34041 1 461 . 1 1 43 43 TRP CD1 C 13 121.791 0.001 . 1 . . . A 43 TRP CD1 . 34041 1 462 . 1 1 43 43 TRP CE3 C 13 118.553 0.042 . 1 . . . A 43 TRP CE3 . 34041 1 463 . 1 1 43 43 TRP CZ2 C 13 111.436 0.076 . 1 . . . A 43 TRP CZ2 . 34041 1 464 . 1 1 43 43 TRP CH2 C 13 121.335 0.008 . 1 . . . A 43 TRP CH2 . 34041 1 465 . 1 1 43 43 TRP N N 15 122.578 0 . 1 . . . A 43 TRP N . 34041 1 466 . 1 1 43 43 TRP NE1 N 15 130.055 0.023 . 1 . . . A 43 TRP NE1 . 34041 1 467 . 1 1 44 44 LYS H H 1 8.619 0.001 . 1 . . . A 44 LYS H . 34041 1 468 . 1 1 44 44 LYS HA H 1 3.336 0.007 . 1 . . . A 44 LYS HA . 34041 1 469 . 1 1 44 44 LYS HB2 H 1 1.7 0.01 . 1 . . . A 44 LYS HB2 . 34041 1 470 . 1 1 44 44 LYS HB3 H 1 2.113 0.01 . 1 . . . A 44 LYS HB3 . 34041 1 471 . 1 1 44 44 LYS HG2 H 1 1.111 0 . 1 . . . A 44 LYS HG2 . 34041 1 472 . 1 1 44 44 LYS HG3 H 1 1.039 0 . 1 . . . A 44 LYS HG3 . 34041 1 473 . 1 1 44 44 LYS HD2 H 1 1.515 0 . 1 . . . A 44 LYS HD2 . 34041 1 474 . 1 1 44 44 LYS HD3 H 1 1.545 0 . 1 . . . A 44 LYS HD3 . 34041 1 475 . 1 1 44 44 LYS HE2 H 1 2.651 0.009 . 1 . . . A 44 LYS HE2 . 34041 1 476 . 1 1 44 44 LYS HE3 H 1 2.767 0.003 . 1 . . . A 44 LYS HE3 . 34041 1 477 . 1 1 44 44 LYS CA C 13 57.263 0.028 . 1 . . . A 44 LYS CA . 34041 1 478 . 1 1 44 44 LYS CB C 13 29.065 0.053 . 1 . . . A 44 LYS CB . 34041 1 479 . 1 1 44 44 LYS CG C 13 21.828 0.024 . 1 . . . A 44 LYS CG . 34041 1 480 . 1 1 44 44 LYS CD C 13 26.791 0.072 . 1 . . . A 44 LYS CD . 34041 1 481 . 1 1 44 44 LYS CE C 13 39.109 0.004 . 1 . . . A 44 LYS CE . 34041 1 482 . 1 1 44 44 LYS N N 15 119.456 0 . 1 . . . A 44 LYS N . 34041 1 483 . 1 1 45 45 GLU H H 1 7.871 0 . 1 . . . A 45 GLU H . 34041 1 484 . 1 1 45 45 GLU HA H 1 3.637 0.006 . 1 . . . A 45 GLU HA . 34041 1 485 . 1 1 45 45 GLU HB2 H 1 1.954 0.011 . 1 . . . A 45 GLU HB2 . 34041 1 486 . 1 1 45 45 GLU HB3 H 1 2.043 0.006 . 1 . . . A 45 GLU HB3 . 34041 1 487 . 1 1 45 45 GLU HG2 H 1 2.099 0.008 . 1 . . . A 45 GLU HG2 . 34041 1 488 . 1 1 45 45 GLU HG3 H 1 2.36 0.006 . 1 . . . A 45 GLU HG3 . 34041 1 489 . 1 1 45 45 GLU CA C 13 56.996 0.002 . 1 . . . A 45 GLU CA . 34041 1 490 . 1 1 45 45 GLU CB C 13 26.445 0.026 . 1 . . . A 45 GLU CB . 34041 1 491 . 1 1 45 45 GLU CG C 13 33.587 0.04 . 1 . . . A 45 GLU CG . 34041 1 492 . 1 1 45 45 GLU N N 15 116.165 0.001 . 1 . . . A 45 GLU N . 34041 1 493 . 1 1 46 46 TYR H H 1 7.748 0.001 . 1 . . . A 46 TYR H . 34041 1 494 . 1 1 46 46 TYR HA H 1 3.608 0.006 . 1 . . . A 46 TYR HA . 34041 1 495 . 1 1 46 46 TYR HB2 H 1 2.862 0.01 . 2 . . . A 46 TYR HB2 . 34041 1 496 . 1 1 46 46 TYR HB3 H 1 2.862 0.01 . 2 . . . A 46 TYR HB3 . 34041 1 497 . 1 1 46 46 TYR HD1 H 1 6.588 0 . 3 . . . A 46 TYR HD1 . 34041 1 498 . 1 1 46 46 TYR HD2 H 1 6.588 0 . 3 . . . A 46 TYR HD2 . 34041 1 499 . 1 1 46 46 TYR HE1 H 1 6.364 0 . 3 . . . A 46 TYR HE1 . 34041 1 500 . 1 1 46 46 TYR HE2 H 1 6.364 0 . 3 . . . A 46 TYR HE2 . 34041 1 501 . 1 1 46 46 TYR CA C 13 59.363 0.024 . 1 . . . A 46 TYR CA . 34041 1 502 . 1 1 46 46 TYR CB C 13 36.509 0 . 1 . . . A 46 TYR CB . 34041 1 503 . 1 1 46 46 TYR CD1 C 13 130.065 0.073 . 3 . . . A 46 TYR CD1 . 34041 1 504 . 1 1 46 46 TYR CD2 C 13 130.138 0 . 3 . . . A 46 TYR CD2 . 34041 1 505 . 1 1 46 46 TYR CE1 C 13 115.048 0.077 . 3 . . . A 46 TYR CE1 . 34041 1 506 . 1 1 46 46 TYR CE2 C 13 114.971 0 . 3 . . . A 46 TYR CE2 . 34041 1 507 . 1 1 46 46 TYR N N 15 119.219 0.002 . 1 . . . A 46 TYR N . 34041 1 508 . 1 1 47 47 MET H H 1 7.875 0.001 . 1 . . . A 47 MET H . 34041 1 509 . 1 1 47 47 MET HA H 1 3.705 0.006 . 1 . . . A 47 MET HA . 34041 1 510 . 1 1 47 47 MET HB2 H 1 1.824 0.005 . 1 . . . A 47 MET HB2 . 34041 1 511 . 1 1 47 47 MET HB3 H 1 0.289 0.012 . 1 . . . A 47 MET HB3 . 34041 1 512 . 1 1 47 47 MET HG2 H 1 1.355 0.004 . 1 . . . A 47 MET HG2 . 34041 1 513 . 1 1 47 47 MET HG3 H 1 1.128 0.005 . 1 . . . A 47 MET HG3 . 34041 1 514 . 1 1 47 47 MET HE1 H 1 1.582 0.011 . 1 . . . A 47 MET HE1 . 34041 1 515 . 1 1 47 47 MET HE2 H 1 1.582 0.011 . 1 . . . A 47 MET HE2 . 34041 1 516 . 1 1 47 47 MET HE3 H 1 1.582 0.011 . 1 . . . A 47 MET HE3 . 34041 1 517 . 1 1 47 47 MET CA C 13 52.297 0.031 . 1 . . . A 47 MET CA . 34041 1 518 . 1 1 47 47 MET CB C 13 28.461 0.01 . 1 . . . A 47 MET CB . 34041 1 519 . 1 1 47 47 MET CG C 13 28.664 0.054 . 1 . . . A 47 MET CG . 34041 1 520 . 1 1 47 47 MET CE C 13 15.758 0 . 1 . . . A 47 MET CE . 34041 1 521 . 1 1 47 47 MET N N 15 112.335 0.007 . 1 . . . A 47 MET N . 34041 1 522 . 1 1 48 48 LEU H H 1 7.3 0.005 . 1 . . . A 48 LEU H . 34041 1 523 . 1 1 48 48 LEU HA H 1 4.119 0.006 . 1 . . . A 48 LEU HA . 34041 1 524 . 1 1 48 48 LEU HB2 H 1 1.525 0.001 . 1 . . . A 48 LEU HB2 . 34041 1 525 . 1 1 48 48 LEU HB3 H 1 1.416 0.002 . 1 . . . A 48 LEU HB3 . 34041 1 526 . 1 1 48 48 LEU HG H 1 1.695 0 . 1 . . . A 48 LEU HG . 34041 1 527 . 1 1 48 48 LEU HD11 H 1 0.585 0.007 . 2 . . . A 48 LEU HD11 . 34041 1 528 . 1 1 48 48 LEU HD12 H 1 0.585 0.007 . 2 . . . A 48 LEU HD12 . 34041 1 529 . 1 1 48 48 LEU HD13 H 1 0.585 0.007 . 2 . . . A 48 LEU HD13 . 34041 1 530 . 1 1 48 48 LEU HD21 H 1 0.552 0.007 . 2 . . . A 48 LEU HD21 . 34041 1 531 . 1 1 48 48 LEU HD22 H 1 0.552 0.007 . 2 . . . A 48 LEU HD22 . 34041 1 532 . 1 1 48 48 LEU HD23 H 1 0.552 0.007 . 2 . . . A 48 LEU HD23 . 34041 1 533 . 1 1 48 48 LEU CA C 13 50.899 0.017 . 1 . . . A 48 LEU CA . 34041 1 534 . 1 1 48 48 LEU CB C 13 38.302 0.019 . 1 . . . A 48 LEU CB . 34041 1 535 . 1 1 48 48 LEU CG C 13 23.488 0 . 1 . . . A 48 LEU CG . 34041 1 536 . 1 1 48 48 LEU CD1 C 13 23.225 0.005 . 2 . . . A 48 LEU CD1 . 34041 1 537 . 1 1 48 48 LEU CD2 C 13 20.393 0.012 . 2 . . . A 48 LEU CD2 . 34041 1 538 . 1 1 48 48 LEU N N 15 114.458 0.006 . 1 . . . A 48 LEU N . 34041 1 539 . 1 1 49 49 ARG H H 1 7.248 0 . 1 . . . A 49 ARG H . 34041 1 540 . 1 1 49 49 ARG HA H 1 4.225 0.004 . 1 . . . A 49 ARG HA . 34041 1 541 . 1 1 49 49 ARG HB2 H 1 1.551 0.009 . 1 . . . A 49 ARG HB2 . 34041 1 542 . 1 1 49 49 ARG HB3 H 1 1.849 0.004 . 1 . . . A 49 ARG HB3 . 34041 1 543 . 1 1 49 49 ARG HG2 H 1 1.461 0.005 . 1 . . . A 49 ARG HG2 . 34041 1 544 . 1 1 49 49 ARG HG3 H 1 1.968 0.009 . 1 . . . A 49 ARG HG3 . 34041 1 545 . 1 1 49 49 ARG HD2 H 1 2.793 0.004 . 1 . . . A 49 ARG HD2 . 34041 1 546 . 1 1 49 49 ARG HD3 H 1 2.91 0.009 . 1 . . . A 49 ARG HD3 . 34041 1 547 . 1 1 49 49 ARG CA C 13 52.801 0.001 . 1 . . . A 49 ARG CA . 34041 1 548 . 1 1 49 49 ARG CB C 13 27.82 0.056 . 1 . . . A 49 ARG CB . 34041 1 549 . 1 1 49 49 ARG CG C 13 24.365 0.018 . 1 . . . A 49 ARG CG . 34041 1 550 . 1 1 49 49 ARG CD C 13 41.122 0.03 . 1 . . . A 49 ARG CD . 34041 1 551 . 1 1 49 49 ARG N N 15 125.143 0.012 . 1 . . . A 49 ARG N . 34041 1 552 . 1 1 50 50 PRO HA H 1 4.365 0.008 . 1 . . . A 50 PRO HA . 34041 1 553 . 1 1 50 50 PRO HB2 H 1 1.816 0.006 . 1 . . . A 50 PRO HB2 . 34041 1 554 . 1 1 50 50 PRO HB3 H 1 2.173 0.005 . 1 . . . A 50 PRO HB3 . 34041 1 555 . 1 1 50 50 PRO HG2 H 1 1.873 0.001 . 1 . . . A 50 PRO HG2 . 34041 1 556 . 1 1 50 50 PRO HG3 H 1 1.906 0.006 . 1 . . . A 50 PRO HG3 . 34041 1 557 . 1 1 50 50 PRO HD2 H 1 3.73 0.008 . 1 . . . A 50 PRO HD2 . 34041 1 558 . 1 1 50 50 PRO HD3 H 1 3.978 0.004 . 1 . . . A 50 PRO HD3 . 34041 1 559 . 1 1 50 50 PRO CA C 13 61.429 0.049 . 1 . . . A 50 PRO CA . 34041 1 560 . 1 1 50 50 PRO CB C 13 29.017 0.022 . 1 . . . A 50 PRO CB . 34041 1 561 . 1 1 50 50 PRO CG C 13 24.64 0.017 . 1 . . . A 50 PRO CG . 34041 1 562 . 1 1 50 50 PRO CD C 13 48.518 0.052 . 1 . . . A 50 PRO CD . 34041 1 563 . 1 1 51 51 SER H H 1 7.04 0.001 . 1 . . . A 51 SER H . 34041 1 564 . 1 1 51 51 SER HA H 1 4.113 0.007 . 1 . . . A 51 SER HA . 34041 1 565 . 1 1 51 51 SER HB2 H 1 3.614 0.006 . 1 . . . A 51 SER HB2 . 34041 1 566 . 1 1 51 51 SER HB3 H 1 3.946 0.004 . 1 . . . A 51 SER HB3 . 34041 1 567 . 1 1 51 51 SER CA C 13 55.094 0.023 . 1 . . . A 51 SER CA . 34041 1 568 . 1 1 51 51 SER CB C 13 60.168 0.029 . 1 . . . A 51 SER CB . 34041 1 569 . 1 1 51 51 SER N N 15 107.391 0.005 . 1 . . . A 51 SER N . 34041 1 570 . 1 1 52 52 VAL H H 1 6.741 0.002 . 1 . . . A 52 VAL H . 34041 1 571 . 1 1 52 52 VAL HA H 1 3.783 0.008 . 1 . . . A 52 VAL HA . 34041 1 572 . 1 1 52 52 VAL HB H 1 1.493 0.007 . 1 . . . A 52 VAL HB . 34041 1 573 . 1 1 52 52 VAL HG11 H 1 0.516 0.007 . 2 . . . A 52 VAL HG11 . 34041 1 574 . 1 1 52 52 VAL HG12 H 1 0.516 0.007 . 2 . . . A 52 VAL HG12 . 34041 1 575 . 1 1 52 52 VAL HG13 H 1 0.516 0.007 . 2 . . . A 52 VAL HG13 . 34041 1 576 . 1 1 52 52 VAL HG21 H 1 0.286 0.007 . 2 . . . A 52 VAL HG21 . 34041 1 577 . 1 1 52 52 VAL HG22 H 1 0.286 0.007 . 2 . . . A 52 VAL HG22 . 34041 1 578 . 1 1 52 52 VAL HG23 H 1 0.286 0.007 . 2 . . . A 52 VAL HG23 . 34041 1 579 . 1 1 52 52 VAL CA C 13 59.447 0.023 . 1 . . . A 52 VAL CA . 34041 1 580 . 1 1 52 52 VAL CB C 13 29.061 0.001 . 1 . . . A 52 VAL CB . 34041 1 581 . 1 1 52 52 VAL CG1 C 13 18.489 0.013 . 2 . . . A 52 VAL CG1 . 34041 1 582 . 1 1 52 52 VAL CG2 C 13 19.218 0.021 . 2 . . . A 52 VAL CG2 . 34041 1 583 . 1 1 52 52 VAL N N 15 125.265 0.004 . 1 . . . A 52 VAL N . 34041 1 584 . 1 1 53 53 ASN H H 1 8.328 0.001 . 1 . . . A 53 ASN H . 34041 1 585 . 1 1 53 53 ASN HA H 1 4.486 0.006 . 1 . . . A 53 ASN HA . 34041 1 586 . 1 1 53 53 ASN HB2 H 1 2.691 0.005 . 1 . . . A 53 ASN HB2 . 34041 1 587 . 1 1 53 53 ASN HB3 H 1 3.137 0.005 . 1 . . . A 53 ASN HB3 . 34041 1 588 . 1 1 53 53 ASN HD21 H 1 6.86 0.001 . 1 . . . A 53 ASN HD21 . 34041 1 589 . 1 1 53 53 ASN HD22 H 1 7.598 0.001 . 1 . . . A 53 ASN HD22 . 34041 1 590 . 1 1 53 53 ASN CA C 13 50.563 0.02 . 1 . . . A 53 ASN CA . 34041 1 591 . 1 1 53 53 ASN CB C 13 36.292 0.022 . 1 . . . A 53 ASN CB . 34041 1 592 . 1 1 53 53 ASN N N 15 125.316 0.001 . 1 . . . A 53 ASN N . 34041 1 593 . 1 1 53 53 ASN ND2 N 15 113.123 0.005 . 1 . . . A 53 ASN ND2 . 34041 1 594 . 1 1 54 54 THR H H 1 8.336 0 . 1 . . . A 54 THR H . 34041 1 595 . 1 1 54 54 THR HA H 1 3.675 0.005 . 1 . . . A 54 THR HA . 34041 1 596 . 1 1 54 54 THR HB H 1 3.902 0.006 . 1 . . . A 54 THR HB . 34041 1 597 . 1 1 54 54 THR HG21 H 1 1.348 0.003 . 1 . . . A 54 THR HG21 . 34041 1 598 . 1 1 54 54 THR HG22 H 1 1.348 0.003 . 1 . . . A 54 THR HG22 . 34041 1 599 . 1 1 54 54 THR HG23 H 1 1.348 0.003 . 1 . . . A 54 THR HG23 . 34041 1 600 . 1 1 54 54 THR CA C 13 63.693 0.057 . 1 . . . A 54 THR CA . 34041 1 601 . 1 1 54 54 THR CB C 13 65.978 0.07 . 1 . . . A 54 THR CB . 34041 1 602 . 1 1 54 54 THR CG2 C 13 20.954 0.033 . 1 . . . A 54 THR CG2 . 34041 1 603 . 1 1 54 54 THR N N 15 111.898 0.005 . 1 . . . A 54 THR N . 34041 1 604 . 1 1 55 55 ARG H H 1 7.914 0 . 1 . . . A 55 ARG H . 34041 1 605 . 1 1 55 55 ARG HA H 1 3.681 0.006 . 1 . . . A 55 ARG HA . 34041 1 606 . 1 1 55 55 ARG HB2 H 1 1.733 0.006 . 2 . . . A 55 ARG HB2 . 34041 1 607 . 1 1 55 55 ARG HB3 H 1 1.733 0.006 . 2 . . . A 55 ARG HB3 . 34041 1 608 . 1 1 55 55 ARG HG2 H 1 1.38 0.011 . 1 . . . A 55 ARG HG2 . 34041 1 609 . 1 1 55 55 ARG HG3 H 1 1.557 0.006 . 1 . . . A 55 ARG HG3 . 34041 1 610 . 1 1 55 55 ARG HD2 H 1 3.077 0.009 . 1 . . . A 55 ARG HD2 . 34041 1 611 . 1 1 55 55 ARG HD3 H 1 3.055 0 . 1 . . . A 55 ARG HD3 . 34041 1 612 . 1 1 55 55 ARG CA C 13 56.959 0.011 . 1 . . . A 55 ARG CA . 34041 1 613 . 1 1 55 55 ARG CB C 13 26.479 0.035 . 1 . . . A 55 ARG CB . 34041 1 614 . 1 1 55 55 ARG CG C 13 25.273 0.041 . 1 . . . A 55 ARG CG . 34041 1 615 . 1 1 55 55 ARG CD C 13 40.278 0.025 . 1 . . . A 55 ARG CD . 34041 1 616 . 1 1 55 55 ARG N N 15 121.191 0.005 . 1 . . . A 55 ARG N . 34041 1 617 . 1 1 56 56 ARG H H 1 7.819 0 . 1 . . . A 56 ARG H . 34041 1 618 . 1 1 56 56 ARG HA H 1 3.844 0.006 . 1 . . . A 56 ARG HA . 34041 1 619 . 1 1 56 56 ARG HB2 H 1 1.924 0 . 2 . . . A 56 ARG HB2 . 34041 1 620 . 1 1 56 56 ARG HB3 H 1 1.924 0 . 2 . . . A 56 ARG HB3 . 34041 1 621 . 1 1 56 56 ARG HG2 H 1 1.507 0 . 2 . . . A 56 ARG HG2 . 34041 1 622 . 1 1 56 56 ARG HG3 H 1 1.507 0 . 2 . . . A 56 ARG HG3 . 34041 1 623 . 1 1 56 56 ARG HD2 H 1 3.24 0.011 . 2 . . . A 56 ARG HD2 . 34041 1 624 . 1 1 56 56 ARG HD3 H 1 3.24 0.011 . 2 . . . A 56 ARG HD3 . 34041 1 625 . 1 1 56 56 ARG CA C 13 56.817 0.019 . 1 . . . A 56 ARG CA . 34041 1 626 . 1 1 56 56 ARG CB C 13 26.149 0.073 . 1 . . . A 56 ARG CB . 34041 1 627 . 1 1 56 56 ARG CG C 13 25.201 0 . 1 . . . A 56 ARG CG . 34041 1 628 . 1 1 56 56 ARG CD C 13 40.54 0.021 . 1 . . . A 56 ARG CD . 34041 1 629 . 1 1 56 56 ARG N N 15 118.441 0.002 . 1 . . . A 56 ARG N . 34041 1 630 . 1 1 57 57 LYS H H 1 7.87 0.001 . 1 . . . A 57 LYS H . 34041 1 631 . 1 1 57 57 LYS HA H 1 4.077 0 . 1 . . . A 57 LYS HA . 34041 1 632 . 1 1 57 57 LYS HB2 H 1 1.547 0.002 . 1 . . . A 57 LYS HB2 . 34041 1 633 . 1 1 57 57 LYS HB3 H 1 2.037 0.012 . 1 . . . A 57 LYS HB3 . 34041 1 634 . 1 1 57 57 LYS HG2 H 1 1.071 0 . 1 . . . A 57 LYS HG2 . 34041 1 635 . 1 1 57 57 LYS HG3 H 1 1.494 0 . 1 . . . A 57 LYS HG3 . 34041 1 636 . 1 1 57 57 LYS HD2 H 1 1.318 0.004 . 1 . . . A 57 LYS HD2 . 34041 1 637 . 1 1 57 57 LYS HD3 H 1 1.614 0 . 1 . . . A 57 LYS HD3 . 34041 1 638 . 1 1 57 57 LYS HE2 H 1 2.51 0.004 . 1 . . . A 57 LYS HE2 . 34041 1 639 . 1 1 57 57 LYS HE3 H 1 2.907 0.012 . 1 . . . A 57 LYS HE3 . 34041 1 640 . 1 1 57 57 LYS CA C 13 57.486 0.006 . 1 . . . A 57 LYS CA . 34041 1 641 . 1 1 57 57 LYS CB C 13 30.368 0.038 . 1 . . . A 57 LYS CB . 34041 1 642 . 1 1 57 57 LYS CG C 13 25.043 0.004 . 1 . . . A 57 LYS CG . 34041 1 643 . 1 1 57 57 LYS CD C 13 26.951 0.02 . 1 . . . A 57 LYS CD . 34041 1 644 . 1 1 57 57 LYS CE C 13 40.25 0.039 . 1 . . . A 57 LYS CE . 34041 1 645 . 1 1 57 57 LYS N N 15 119.696 0 . 1 . . . A 57 LYS N . 34041 1 646 . 1 1 58 58 LEU H H 1 8.066 0.002 . 1 . . . A 58 LEU H . 34041 1 647 . 1 1 58 58 LEU HA H 1 3.789 0.007 . 1 . . . A 58 LEU HA . 34041 1 648 . 1 1 58 58 LEU HB2 H 1 1.86 0.008 . 1 . . . A 58 LEU HB2 . 34041 1 649 . 1 1 58 58 LEU HB3 H 1 1.034 0.013 . 1 . . . A 58 LEU HB3 . 34041 1 650 . 1 1 58 58 LEU HD11 H 1 0.692 0.01 . 2 . . . A 58 LEU HD11 . 34041 1 651 . 1 1 58 58 LEU HD12 H 1 0.692 0.01 . 2 . . . A 58 LEU HD12 . 34041 1 652 . 1 1 58 58 LEU HD13 H 1 0.692 0.01 . 2 . . . A 58 LEU HD13 . 34041 1 653 . 1 1 58 58 LEU HD21 H 1 0.461 0.014 . 2 . . . A 58 LEU HD21 . 34041 1 654 . 1 1 58 58 LEU HD22 H 1 0.461 0.014 . 2 . . . A 58 LEU HD22 . 34041 1 655 . 1 1 58 58 LEU HD23 H 1 0.461 0.014 . 2 . . . A 58 LEU HD23 . 34041 1 656 . 1 1 58 58 LEU CA C 13 55.665 0.027 . 1 . . . A 58 LEU CA . 34041 1 657 . 1 1 58 58 LEU CB C 13 37.761 0.074 . 1 . . . A 58 LEU CB . 34041 1 658 . 1 1 58 58 LEU CD1 C 13 23.208 0.048 . 2 . . . A 58 LEU CD1 . 34041 1 659 . 1 1 58 58 LEU CD2 C 13 19.974 0.009 . 2 . . . A 58 LEU CD2 . 34041 1 660 . 1 1 58 58 LEU N N 15 121.372 0 . 1 . . . A 58 LEU N . 34041 1 661 . 1 1 59 59 LEU H H 1 7.447 0.001 . 1 . . . A 59 LEU H . 34041 1 662 . 1 1 59 59 LEU HA H 1 3.803 0.007 . 1 . . . A 59 LEU HA . 34041 1 663 . 1 1 59 59 LEU HB2 H 1 1.968 0 . 1 . . . A 59 LEU HB2 . 34041 1 664 . 1 1 59 59 LEU HB3 H 1 1.149 0.015 . 1 . . . A 59 LEU HB3 . 34041 1 665 . 1 1 59 59 LEU HG H 1 1.851 0.006 . 1 . . . A 59 LEU HG . 34041 1 666 . 1 1 59 59 LEU HD11 H 1 0.551 0.008 . 2 . . . A 59 LEU HD11 . 34041 1 667 . 1 1 59 59 LEU HD12 H 1 0.551 0.008 . 2 . . . A 59 LEU HD12 . 34041 1 668 . 1 1 59 59 LEU HD13 H 1 0.551 0.008 . 2 . . . A 59 LEU HD13 . 34041 1 669 . 1 1 59 59 LEU HD21 H 1 0.644 0.005 . 2 . . . A 59 LEU HD21 . 34041 1 670 . 1 1 59 59 LEU HD22 H 1 0.644 0.005 . 2 . . . A 59 LEU HD22 . 34041 1 671 . 1 1 59 59 LEU HD23 H 1 0.644 0.005 . 2 . . . A 59 LEU HD23 . 34041 1 672 . 1 1 59 59 LEU CA C 13 55.386 0.015 . 1 . . . A 59 LEU CA . 34041 1 673 . 1 1 59 59 LEU CB C 13 36.838 0.02 . 1 . . . A 59 LEU CB . 34041 1 674 . 1 1 59 59 LEU CG C 13 23.502 0.048 . 1 . . . A 59 LEU CG . 34041 1 675 . 1 1 59 59 LEU CD1 C 13 22.826 0.003 . 2 . . . A 59 LEU CD1 . 34041 1 676 . 1 1 59 59 LEU CD2 C 13 18.773 0.013 . 2 . . . A 59 LEU CD2 . 34041 1 677 . 1 1 59 59 LEU N N 15 116.053 0.005 . 1 . . . A 59 LEU N . 34041 1 678 . 1 1 60 60 GLY H H 1 8.275 0 . 1 . . . A 60 GLY H . 34041 1 679 . 1 1 60 60 GLY HA2 H 1 3.626 0.005 . 1 . . . A 60 GLY HA2 . 34041 1 680 . 1 1 60 60 GLY HA3 H 1 4.131 0.009 . 1 . . . A 60 GLY HA3 . 34041 1 681 . 1 1 60 60 GLY CA C 13 44.631 0.028 . 1 . . . A 60 GLY CA . 34041 1 682 . 1 1 60 60 GLY N N 15 106.457 0.003 . 1 . . . A 60 GLY N . 34041 1 683 . 1 1 61 61 LEU H H 1 8.499 0.003 . 1 . . . A 61 LEU H . 34041 1 684 . 1 1 61 61 LEU HA H 1 4.501 0.009 . 1 . . . A 61 LEU HA . 34041 1 685 . 1 1 61 61 LEU HB2 H 1 1.372 0.006 . 1 . . . A 61 LEU HB2 . 34041 1 686 . 1 1 61 61 LEU HB3 H 1 2.616 0.006 . 1 . . . A 61 LEU HB3 . 34041 1 687 . 1 1 61 61 LEU HG H 1 1.65 0.003 . 1 . . . A 61 LEU HG . 34041 1 688 . 1 1 61 61 LEU HD11 H 1 0.943 0.011 . 2 . . . A 61 LEU HD11 . 34041 1 689 . 1 1 61 61 LEU HD12 H 1 0.943 0.011 . 2 . . . A 61 LEU HD12 . 34041 1 690 . 1 1 61 61 LEU HD13 H 1 0.943 0.011 . 2 . . . A 61 LEU HD13 . 34041 1 691 . 1 1 61 61 LEU HD21 H 1 1.022 0.009 . 2 . . . A 61 LEU HD21 . 34041 1 692 . 1 1 61 61 LEU HD22 H 1 1.022 0.009 . 2 . . . A 61 LEU HD22 . 34041 1 693 . 1 1 61 61 LEU HD23 H 1 1.022 0.009 . 2 . . . A 61 LEU HD23 . 34041 1 694 . 1 1 61 61 LEU CA C 13 55.762 0.065 . 1 . . . A 61 LEU CA . 34041 1 695 . 1 1 61 61 LEU CB C 13 38.431 0.051 . 1 . . . A 61 LEU CB . 34041 1 696 . 1 1 61 61 LEU CG C 13 24.809 0.012 . 1 . . . A 61 LEU CG . 34041 1 697 . 1 1 61 61 LEU CD1 C 13 23.62 0.038 . 2 . . . A 61 LEU CD1 . 34041 1 698 . 1 1 61 61 LEU CD2 C 13 21.421 0.024 . 2 . . . A 61 LEU CD2 . 34041 1 699 . 1 1 61 61 LEU N N 15 127.323 0.006 . 1 . . . A 61 LEU N . 34041 1 700 . 1 1 62 62 TYR H H 1 8.447 0.003 . 1 . . . A 62 TYR H . 34041 1 701 . 1 1 62 62 TYR HA H 1 4.358 0.008 . 1 . . . A 62 TYR HA . 34041 1 702 . 1 1 62 62 TYR HB2 H 1 3.13 0.005 . 1 . . . A 62 TYR HB2 . 34041 1 703 . 1 1 62 62 TYR HB3 H 1 2.36 0 . 1 . . . A 62 TYR HB3 . 34041 1 704 . 1 1 62 62 TYR HD1 H 1 6.624 0.001 . 3 . . . A 62 TYR HD1 . 34041 1 705 . 1 1 62 62 TYR HD2 H 1 6.624 0.001 . 3 . . . A 62 TYR HD2 . 34041 1 706 . 1 1 62 62 TYR HE1 H 1 6.703 0.002 . 3 . . . A 62 TYR HE1 . 34041 1 707 . 1 1 62 62 TYR HE2 H 1 6.703 0.002 . 3 . . . A 62 TYR HE2 . 34041 1 708 . 1 1 62 62 TYR CA C 13 54.415 0.049 . 1 . . . A 62 TYR CA . 34041 1 709 . 1 1 62 62 TYR CB C 13 32.742 0.005 . 1 . . . A 62 TYR CB . 34041 1 710 . 1 1 62 62 TYR CD1 C 13 127.206 0 . 3 . . . A 62 TYR CD1 . 34041 1 711 . 1 1 62 62 TYR CE1 C 13 118.049 0 . 3 . . . A 62 TYR CE1 . 34041 1 712 . 1 1 62 62 TYR N N 15 120.907 0.002 . 1 . . . A 62 TYR N . 34041 1 713 . 1 1 63 63 LEU H H 1 8.499 0.011 . 1 . . . A 63 LEU H . 34041 1 714 . 1 1 63 63 LEU HA H 1 3.941 0.004 . 1 . . . A 63 LEU HA . 34041 1 715 . 1 1 63 63 LEU HB2 H 1 2.044 0.002 . 1 . . . A 63 LEU HB2 . 34041 1 716 . 1 1 63 63 LEU HB3 H 1 1.405 0.018 . 1 . . . A 63 LEU HB3 . 34041 1 717 . 1 1 63 63 LEU HG H 1 1.332 0.001 . 1 . . . A 63 LEU HG . 34041 1 718 . 1 1 63 63 LEU HD11 H 1 0.94 0.005 . 2 . . . A 63 LEU HD11 . 34041 1 719 . 1 1 63 63 LEU HD12 H 1 0.94 0.005 . 2 . . . A 63 LEU HD12 . 34041 1 720 . 1 1 63 63 LEU HD13 H 1 0.94 0.005 . 2 . . . A 63 LEU HD13 . 34041 1 721 . 1 1 63 63 LEU HD21 H 1 0.881 0.007 . 2 . . . A 63 LEU HD21 . 34041 1 722 . 1 1 63 63 LEU HD22 H 1 0.881 0.007 . 2 . . . A 63 LEU HD22 . 34041 1 723 . 1 1 63 63 LEU HD23 H 1 0.881 0.007 . 2 . . . A 63 LEU HD23 . 34041 1 724 . 1 1 63 63 LEU CA C 13 55.466 0.009 . 1 . . . A 63 LEU CA . 34041 1 725 . 1 1 63 63 LEU CB C 13 38.696 0.087 . 1 . . . A 63 LEU CB . 34041 1 726 . 1 1 63 63 LEU CG C 13 24.496 0 . 1 . . . A 63 LEU CG . 34041 1 727 . 1 1 63 63 LEU CD1 C 13 24.037 0.013 . 2 . . . A 63 LEU CD1 . 34041 1 728 . 1 1 63 63 LEU CD2 C 13 21.588 0.023 . 2 . . . A 63 LEU CD2 . 34041 1 729 . 1 1 63 63 LEU N N 15 118.939 0 . 1 . . . A 63 LEU N . 34041 1 730 . 1 1 64 64 MET H H 1 7.33 0.002 . 1 . . . A 64 MET H . 34041 1 731 . 1 1 64 64 MET HA H 1 2.684 0.005 . 1 . . . A 64 MET HA . 34041 1 732 . 1 1 64 64 MET HB2 H 1 0.76 0 . 1 . . . A 64 MET HB2 . 34041 1 733 . 1 1 64 64 MET HB3 H 1 0.597 0.011 . 1 . . . A 64 MET HB3 . 34041 1 734 . 1 1 64 64 MET HG2 H 1 1.962 0.004 . 1 . . . A 64 MET HG2 . 34041 1 735 . 1 1 64 64 MET HG3 H 1 1.022 0.006 . 1 . . . A 64 MET HG3 . 34041 1 736 . 1 1 64 64 MET HE1 H 1 1.801 0.001 . 1 . . . A 64 MET HE1 . 34041 1 737 . 1 1 64 64 MET HE2 H 1 1.801 0.001 . 1 . . . A 64 MET HE2 . 34041 1 738 . 1 1 64 64 MET HE3 H 1 1.801 0.001 . 1 . . . A 64 MET HE3 . 34041 1 739 . 1 1 64 64 MET CA C 13 57.407 0.019 . 1 . . . A 64 MET CA . 34041 1 740 . 1 1 64 64 MET CB C 13 28.539 0.013 . 1 . . . A 64 MET CB . 34041 1 741 . 1 1 64 64 MET CG C 13 28.36 0.019 . 1 . . . A 64 MET CG . 34041 1 742 . 1 1 64 64 MET CE C 13 14.069 0 . 1 . . . A 64 MET CE . 34041 1 743 . 1 1 64 64 MET N N 15 117.762 0.01 . 1 . . . A 64 MET N . 34041 1 744 . 1 1 65 65 ASN H H 1 8.281 0.005 . 1 . . . A 65 ASN H . 34041 1 745 . 1 1 65 65 ASN HA H 1 3.868 0.006 . 1 . . . A 65 ASN HA . 34041 1 746 . 1 1 65 65 ASN HB2 H 1 2.434 0.007 . 1 . . . A 65 ASN HB2 . 34041 1 747 . 1 1 65 65 ASN HB3 H 1 3.282 0.003 . 1 . . . A 65 ASN HB3 . 34041 1 748 . 1 1 65 65 ASN CA C 13 54.234 0.056 . 1 . . . A 65 ASN CA . 34041 1 749 . 1 1 65 65 ASN CB C 13 38.109 0.024 . 1 . . . A 65 ASN CB . 34041 1 750 . 1 1 65 65 ASN N N 15 115.369 0.004 . 1 . . . A 65 ASN N . 34041 1 751 . 1 1 66 66 HIS H H 1 8.432 0.008 . 1 . . . A 66 HIS H . 34041 1 752 . 1 1 66 66 HIS HA H 1 3.543 0.008 . 1 . . . A 66 HIS HA . 34041 1 753 . 1 1 66 66 HIS HB2 H 1 3.002 0.006 . 1 . . . A 66 HIS HB2 . 34041 1 754 . 1 1 66 66 HIS HB3 H 1 3.098 0.006 . 1 . . . A 66 HIS HB3 . 34041 1 755 . 1 1 66 66 HIS HD2 H 1 6.901 0 . 1 . . . A 66 HIS HD2 . 34041 1 756 . 1 1 66 66 HIS HE1 H 1 7.707 0 . 1 . . . A 66 HIS HE1 . 34041 1 757 . 1 1 66 66 HIS CA C 13 58.752 0.076 . 1 . . . A 66 HIS CA . 34041 1 758 . 1 1 66 66 HIS CB C 13 28.827 0.029 . 1 . . . A 66 HIS CB . 34041 1 759 . 1 1 66 66 HIS CD2 C 13 113.971 0 . 1 . . . A 66 HIS CD2 . 34041 1 760 . 1 1 66 66 HIS CE1 C 13 135.158 0 . 1 . . . A 66 HIS CE1 . 34041 1 761 . 1 1 66 66 HIS N N 15 120.137 0.002 . 1 . . . A 66 HIS N . 34041 1 762 . 1 1 67 67 VAL H H 1 8.152 0 . 1 . . . A 67 VAL H . 34041 1 763 . 1 1 67 67 VAL HA H 1 3.374 0.006 . 1 . . . A 67 VAL HA . 34041 1 764 . 1 1 67 67 VAL HB H 1 1.591 0.007 . 1 . . . A 67 VAL HB . 34041 1 765 . 1 1 67 67 VAL HG11 H 1 0.047 0.006 . 2 . . . A 67 VAL HG11 . 34041 1 766 . 1 1 67 67 VAL HG12 H 1 0.047 0.006 . 2 . . . A 67 VAL HG12 . 34041 1 767 . 1 1 67 67 VAL HG13 H 1 0.047 0.006 . 2 . . . A 67 VAL HG13 . 34041 1 768 . 1 1 67 67 VAL HG21 H 1 0.749 0.007 . 2 . . . A 67 VAL HG21 . 34041 1 769 . 1 1 67 67 VAL HG22 H 1 0.749 0.007 . 2 . . . A 67 VAL HG22 . 34041 1 770 . 1 1 67 67 VAL HG23 H 1 0.749 0.007 . 2 . . . A 67 VAL HG23 . 34041 1 771 . 1 1 67 67 VAL CA C 13 63.293 0.04 . 1 . . . A 67 VAL CA . 34041 1 772 . 1 1 67 67 VAL CB C 13 28.709 0.012 . 1 . . . A 67 VAL CB . 34041 1 773 . 1 1 67 67 VAL CG1 C 13 17.877 0.001 . 2 . . . A 67 VAL CG1 . 34041 1 774 . 1 1 67 67 VAL CG2 C 13 21.605 0.001 . 2 . . . A 67 VAL CG2 . 34041 1 775 . 1 1 67 67 VAL N N 15 116.003 0.003 . 1 . . . A 67 VAL N . 34041 1 776 . 1 1 68 68 VAL H H 1 8.266 0 . 1 . . . A 68 VAL H . 34041 1 777 . 1 1 68 68 VAL HA H 1 3.565 0.006 . 1 . . . A 68 VAL HA . 34041 1 778 . 1 1 68 68 VAL HB H 1 1.599 0.006 . 1 . . . A 68 VAL HB . 34041 1 779 . 1 1 68 68 VAL HG11 H 1 0.701 0.005 . 2 . . . A 68 VAL HG11 . 34041 1 780 . 1 1 68 68 VAL HG12 H 1 0.701 0.005 . 2 . . . A 68 VAL HG12 . 34041 1 781 . 1 1 68 68 VAL HG13 H 1 0.701 0.005 . 2 . . . A 68 VAL HG13 . 34041 1 782 . 1 1 68 68 VAL HG21 H 1 0.617 0.006 . 2 . . . A 68 VAL HG21 . 34041 1 783 . 1 1 68 68 VAL HG22 H 1 0.617 0.006 . 2 . . . A 68 VAL HG22 . 34041 1 784 . 1 1 68 68 VAL HG23 H 1 0.617 0.006 . 2 . . . A 68 VAL HG23 . 34041 1 785 . 1 1 68 68 VAL CA C 13 63.232 0.014 . 1 . . . A 68 VAL CA . 34041 1 786 . 1 1 68 68 VAL CB C 13 27.99 0 . 1 . . . A 68 VAL CB . 34041 1 787 . 1 1 68 68 VAL CG1 C 13 18.084 0.02 . 2 . . . A 68 VAL CG1 . 34041 1 788 . 1 1 68 68 VAL CG2 C 13 20.28 0.025 . 2 . . . A 68 VAL CG2 . 34041 1 789 . 1 1 68 68 VAL N N 15 113.098 0.002 . 1 . . . A 68 VAL N . 34041 1 790 . 1 1 69 69 GLN H H 1 7.332 0.003 . 1 . . . A 69 GLN H . 34041 1 791 . 1 1 69 69 GLN HA H 1 3.764 0.007 . 1 . . . A 69 GLN HA . 34041 1 792 . 1 1 69 69 GLN HB2 H 1 1.635 0 . 1 . . . A 69 GLN HB2 . 34041 1 793 . 1 1 69 69 GLN HB3 H 1 1.948 0.011 . 1 . . . A 69 GLN HB3 . 34041 1 794 . 1 1 69 69 GLN HG2 H 1 1.364 0 . 1 . . . A 69 GLN HG2 . 34041 1 795 . 1 1 69 69 GLN HG3 H 1 2.679 0 . 1 . . . A 69 GLN HG3 . 34041 1 796 . 1 1 69 69 GLN CA C 13 58.515 0.029 . 1 . . . A 69 GLN CA . 34041 1 797 . 1 1 69 69 GLN CB C 13 26.498 0.006 . 1 . . . A 69 GLN CB . 34041 1 798 . 1 1 69 69 GLN CG C 13 32.939 0 . 1 . . . A 69 GLN CG . 34041 1 799 . 1 1 69 69 GLN N N 15 119.057 0.013 . 1 . . . A 69 GLN N . 34041 1 800 . 1 1 70 70 GLN HA H 1 3.944 0.005 . 1 . . . A 70 GLN HA . 34041 1 801 . 1 1 70 70 GLN HB2 H 1 2.001 0 . 1 . . . A 70 GLN HB2 . 34041 1 802 . 1 1 70 70 GLN HB3 H 1 1.718 0 . 1 . . . A 70 GLN HB3 . 34041 1 803 . 1 1 70 70 GLN HG2 H 1 2.327 0.008 . 11 . . . A 70 GLN HG2 . 34041 1 804 . 1 1 70 70 GLN HG3 H 1 1.95 0.005 . 1 . . . A 70 GLN HG3 . 34041 1 805 . 1 1 70 70 GLN HE21 H 1 7.279 0.007 . 1 . . . A 70 GLN HE21 . 34041 1 806 . 1 1 70 70 GLN HE22 H 1 6.596 0.007 . 1 . . . A 70 GLN HE22 . 34041 1 807 . 1 1 70 70 GLN CA C 13 56.411 0 . 1 . . . A 70 GLN CA . 34041 1 808 . 1 1 70 70 GLN CB C 13 26.723 0.031 . 1 . . . A 70 GLN CB . 34041 1 809 . 1 1 70 70 GLN CG C 13 32.465 0.039 . 1 . . . A 70 GLN CG . 34041 1 810 . 1 1 70 70 GLN NE2 N 15 110.966 0.003 . 1 . . . A 70 GLN NE2 . 34041 1 811 . 1 1 71 71 ALA H H 1 8.848 0 . 1 . . . A 71 ALA H . 34041 1 812 . 1 1 71 71 ALA HA H 1 3.733 0.005 . 1 . . . A 71 ALA HA . 34041 1 813 . 1 1 71 71 ALA HB1 H 1 1.587 0.004 . 1 . . . A 71 ALA HB1 . 34041 1 814 . 1 1 71 71 ALA HB2 H 1 1.587 0.004 . 1 . . . A 71 ALA HB2 . 34041 1 815 . 1 1 71 71 ALA HB3 H 1 1.587 0.004 . 1 . . . A 71 ALA HB3 . 34041 1 816 . 1 1 71 71 ALA CA C 13 52.802 0.002 . 1 . . . A 71 ALA CA . 34041 1 817 . 1 1 71 71 ALA CB C 13 15.768 0.001 . 1 . . . A 71 ALA CB . 34041 1 818 . 1 1 71 71 ALA N N 15 120.777 0 . 1 . . . A 71 ALA N . 34041 1 819 . 1 1 72 72 LYS H H 1 7.461 0.002 . 1 . . . A 72 LYS H . 34041 1 820 . 1 1 72 72 LYS HA H 1 3.933 0.006 . 1 . . . A 72 LYS HA . 34041 1 821 . 1 1 72 72 LYS HB2 H 1 1.7 0.004 . 1 . . . A 72 LYS HB2 . 34041 1 822 . 1 1 72 72 LYS HB3 H 1 1.954 0.009 . 1 . . . A 72 LYS HB3 . 34041 1 823 . 1 1 72 72 LYS HG2 H 1 1.345 0.001 . 2 . . . A 72 LYS HG2 . 34041 1 824 . 1 1 72 72 LYS HG3 H 1 1.345 0.001 . 2 . . . A 72 LYS HG3 . 34041 1 825 . 1 1 72 72 LYS HD2 H 1 1.583 0.006 . 2 . . . A 72 LYS HD2 . 34041 1 826 . 1 1 72 72 LYS HD3 H 1 1.583 0.006 . 2 . . . A 72 LYS HD3 . 34041 1 827 . 1 1 72 72 LYS HE2 H 1 2.975 0.004 . 2 . . . A 72 LYS HE2 . 34041 1 828 . 1 1 72 72 LYS HE3 H 1 2.975 0.004 . 2 . . . A 72 LYS HE3 . 34041 1 829 . 1 1 72 72 LYS CA C 13 56.759 0.011 . 1 . . . A 72 LYS CA . 34041 1 830 . 1 1 72 72 LYS CB C 13 29.44 0.003 . 1 . . . A 72 LYS CB . 34041 1 831 . 1 1 72 72 LYS CD C 13 27.495 0.003 . 1 . . . A 72 LYS CD . 34041 1 832 . 1 1 72 72 LYS CE C 13 39.74 0.03 . 1 . . . A 72 LYS CE . 34041 1 833 . 1 1 72 72 LYS N N 15 118.896 0.014 . 1 . . . A 72 LYS N . 34041 1 834 . 1 1 73 73 GLY H H 1 7.666 0 . 1 . . . A 73 GLY H . 34041 1 835 . 1 1 73 73 GLY HA2 H 1 3.507 0.007 . 1 . . . A 73 GLY HA2 . 34041 1 836 . 1 1 73 73 GLY HA3 H 1 3.784 0.001 . 1 . . . A 73 GLY HA3 . 34041 1 837 . 1 1 73 73 GLY CA C 13 44.325 0.008 . 1 . . . A 73 GLY CA . 34041 1 838 . 1 1 73 73 GLY N N 15 106.67 0 . 1 . . . A 73 GLY N . 34041 1 839 . 1 1 74 74 GLN H H 1 7.697 0 . 1 . . . A 74 GLN H . 34041 1 840 . 1 1 74 74 GLN HA H 1 4.179 0.002 . 1 . . . A 74 GLN HA . 34041 1 841 . 1 1 74 74 GLN HB2 H 1 1.593 0.002 . 2 . . . A 74 GLN HB2 . 34041 1 842 . 1 1 74 74 GLN HB3 H 1 1.593 0.002 . 2 . . . A 74 GLN HB3 . 34041 1 843 . 1 1 74 74 GLN HG2 H 1 2.313 0 . 2 . . . A 74 GLN HG2 . 34041 1 844 . 1 1 74 74 GLN HG3 H 1 2.229 0 . 1 . . . A 74 GLN HG3 . 34041 1 845 . 1 1 74 74 GLN HE21 H 1 7.205 0 . 1 . . . A 74 GLN HE21 . 34041 1 846 . 1 1 74 74 GLN HE22 H 1 6.626 0.002 . 1 . . . A 74 GLN HE22 . 34041 1 847 . 1 1 74 74 GLN CA C 13 52.801 0.007 . 1 . . . A 74 GLN CA . 34041 1 848 . 1 1 74 74 GLN CB C 13 26.89 0 . 1 . . . A 74 GLN CB . 34041 1 849 . 1 1 74 74 GLN CG C 13 31.898 0.044 . 1 . . . A 74 GLN CG . 34041 1 850 . 1 1 74 74 GLN N N 15 116.997 0 . 1 . . . A 74 GLN N . 34041 1 851 . 1 1 74 74 GLN NE2 N 15 110.517 0.004 . 1 . . . A 74 GLN NE2 . 34041 1 852 . 1 1 75 75 LYS H H 1 7.635 0.004 . 1 . . . A 75 LYS H . 34041 1 853 . 1 1 75 75 LYS HA H 1 3.798 0.006 . 1 . . . A 75 LYS HA . 34041 1 854 . 1 1 75 75 LYS HB2 H 1 1.821 0 . 1 . . . A 75 LYS HB2 . 34041 1 855 . 1 1 75 75 LYS HB3 H 1 1.973 0 . 1 . . . A 75 LYS HB3 . 34041 1 856 . 1 1 75 75 LYS HG2 H 1 1.238 0 . 1 . . . A 75 LYS HG2 . 34041 1 857 . 1 1 75 75 LYS HG3 H 1 1.203 0 . 1 . . . A 75 LYS HG3 . 34041 1 858 . 1 1 75 75 LYS HD2 H 1 1.581 0 . 2 . . . A 75 LYS HD2 . 34041 1 859 . 1 1 75 75 LYS HD3 H 1 1.581 0 . 2 . . . A 75 LYS HD3 . 34041 1 860 . 1 1 75 75 LYS HE2 H 1 2.879 0.005 . 1 . . . A 75 LYS HE2 . 34041 1 861 . 1 1 75 75 LYS HE3 H 1 2.879 0.005 . 1 . . . A 75 LYS HE3 . 34041 1 862 . 1 1 75 75 LYS CA C 13 54.928 0.071 . 1 . . . A 75 LYS CA . 34041 1 863 . 1 1 75 75 LYS CB C 13 26.061 0 . 1 . . . A 75 LYS CB . 34041 1 864 . 1 1 75 75 LYS CG C 13 22.36 0.035 . 1 . . . A 75 LYS CG . 34041 1 865 . 1 1 75 75 LYS CD C 13 26.654 0 . 1 . . . A 75 LYS CD . 34041 1 866 . 1 1 75 75 LYS CE C 13 39.466 0.016 . 1 . . . A 75 LYS CE . 34041 1 867 . 1 1 75 75 LYS N N 15 115.851 0.008 . 1 . . . A 75 LYS N . 34041 1 868 . 1 1 76 76 ILE H H 1 8.517 0 . 1 . . . A 76 ILE H . 34041 1 869 . 1 1 76 76 ILE HA H 1 4.258 0.01 . 1 . . . A 76 ILE HA . 34041 1 870 . 1 1 76 76 ILE HB H 1 1.772 0.008 . 1 . . . A 76 ILE HB . 34041 1 871 . 1 1 76 76 ILE HG12 H 1 1.366 0.002 . 1 . . . A 76 ILE HG12 . 34041 1 872 . 1 1 76 76 ILE HG13 H 1 0.737 0 . 1 . . . A 76 ILE HG13 . 34041 1 873 . 1 1 76 76 ILE HG21 H 1 0.951 0.005 . 1 . . . A 76 ILE HG21 . 34041 1 874 . 1 1 76 76 ILE HG22 H 1 0.951 0.005 . 1 . . . A 76 ILE HG22 . 34041 1 875 . 1 1 76 76 ILE HG23 H 1 0.951 0.005 . 1 . . . A 76 ILE HG23 . 34041 1 876 . 1 1 76 76 ILE HD11 H 1 0.68 0.005 . 1 . . . A 76 ILE HD11 . 34041 1 877 . 1 1 76 76 ILE HD12 H 1 0.68 0.005 . 1 . . . A 76 ILE HD12 . 34041 1 878 . 1 1 76 76 ILE HD13 H 1 0.68 0.005 . 1 . . . A 76 ILE HD13 . 34041 1 879 . 1 1 76 76 ILE CA C 13 57.133 0.002 . 1 . . . A 76 ILE CA . 34041 1 880 . 1 1 76 76 ILE CB C 13 34.943 0.022 . 1 . . . A 76 ILE CB . 34041 1 881 . 1 1 76 76 ILE CG1 C 13 24.03 0.034 . 1 . . . A 76 ILE CG1 . 34041 1 882 . 1 1 76 76 ILE CG2 C 13 16.328 0.003 . 1 . . . A 76 ILE CG2 . 34041 1 883 . 1 1 76 76 ILE CD1 C 13 11.031 0.005 . 1 . . . A 76 ILE CD1 . 34041 1 884 . 1 1 76 76 ILE N N 15 121.261 0 . 1 . . . A 76 ILE N . 34041 1 885 . 1 1 77 77 ILE H H 1 7.755 0.003 . 1 . . . A 77 ILE H . 34041 1 886 . 1 1 77 77 ILE HA H 1 4.048 0.009 . 1 . . . A 77 ILE HA . 34041 1 887 . 1 1 77 77 ILE HB H 1 1.83 0.005 . 1 . . . A 77 ILE HB . 34041 1 888 . 1 1 77 77 ILE HG12 H 1 1.178 0 . 1 . . . A 77 ILE HG12 . 34041 1 889 . 1 1 77 77 ILE HG13 H 1 1.256 0 . 1 . . . A 77 ILE HG13 . 34041 1 890 . 1 1 77 77 ILE HG21 H 1 0.815 0.005 . 1 . . . A 77 ILE HG21 . 34041 1 891 . 1 1 77 77 ILE HG22 H 1 0.815 0.005 . 1 . . . A 77 ILE HG22 . 34041 1 892 . 1 1 77 77 ILE HG23 H 1 0.815 0.005 . 1 . . . A 77 ILE HG23 . 34041 1 893 . 1 1 77 77 ILE HD11 H 1 0.761 0.005 . 1 . . . A 77 ILE HD11 . 34041 1 894 . 1 1 77 77 ILE HD12 H 1 0.761 0.005 . 1 . . . A 77 ILE HD12 . 34041 1 895 . 1 1 77 77 ILE HD13 H 1 0.761 0.005 . 1 . . . A 77 ILE HD13 . 34041 1 896 . 1 1 77 77 ILE CA C 13 60.099 0 . 1 . . . A 77 ILE CA . 34041 1 897 . 1 1 77 77 ILE CB C 13 36.023 0.005 . 1 . . . A 77 ILE CB . 34041 1 898 . 1 1 77 77 ILE CG1 C 13 24.61 0.021 . 1 . . . A 77 ILE CG1 . 34041 1 899 . 1 1 77 77 ILE CG2 C 13 15.054 0.007 . 1 . . . A 77 ILE CG2 . 34041 1 900 . 1 1 77 77 ILE CD1 C 13 10.796 0.014 . 1 . . . A 77 ILE CD1 . 34041 1 901 . 1 1 77 77 ILE N N 15 123.348 0.001 . 1 . . . A 77 ILE N . 34041 1 902 . 1 1 78 78 GLN HA H 1 4.021 0.005 . 1 . . . A 78 GLN HA . 34041 1 903 . 1 1 78 78 GLN HB2 H 1 1.569 0 . 1 . . . A 78 GLN HB2 . 34041 1 904 . 1 1 78 78 GLN HB3 H 1 1.758 0 . 1 . . . A 78 GLN HB3 . 34041 1 905 . 1 1 78 78 GLN HG2 H 1 2.392 0.007 . 1 . . . A 78 GLN HG2 . 34041 1 906 . 1 1 78 78 GLN HG3 H 1 2.579 0.004 . 1 . . . A 78 GLN HG3 . 34041 1 907 . 1 1 78 78 GLN HE21 H 1 6.883 0.003 . 1 . . . A 78 GLN HE21 . 34041 1 908 . 1 1 78 78 GLN HE22 H 1 7.598 0.006 . 1 . . . A 78 GLN HE22 . 34041 1 909 . 1 1 78 78 GLN CA C 13 57.657 0.02 . 1 . . . A 78 GLN CA . 34041 1 910 . 1 1 78 78 GLN CB C 13 25.66 0.032 . 1 . . . A 78 GLN CB . 34041 1 911 . 1 1 78 78 GLN CG C 13 31.972 0.034 . 1 . . . A 78 GLN CG . 34041 1 912 . 1 1 78 78 GLN NE2 N 15 110.745 0.008 . 1 . . . A 78 GLN NE2 . 34041 1 913 . 1 1 79 79 PHE HA H 1 4.32 0.005 . 1 . . . A 79 PHE HA . 34041 1 914 . 1 1 79 79 PHE HB2 H 1 2.929 0.014 . 1 . . . A 79 PHE HB2 . 34041 1 915 . 1 1 79 79 PHE HB3 H 1 2.72 0.003 . 1 . . . A 79 PHE HB3 . 34041 1 916 . 1 1 79 79 PHE HD1 H 1 7.111 0 . 3 . . . A 79 PHE HD1 . 34041 1 917 . 1 1 79 79 PHE HD2 H 1 7.111 0 . 3 . . . A 79 PHE HD2 . 34041 1 918 . 1 1 79 79 PHE HE1 H 1 7.044 0 . 3 . . . A 79 PHE HE1 . 34041 1 919 . 1 1 79 79 PHE HE2 H 1 7.044 0 . 3 . . . A 79 PHE HE2 . 34041 1 920 . 1 1 79 79 PHE HZ H 1 6.889 0 . 1 . . . A 79 PHE HZ . 34041 1 921 . 1 1 79 79 PHE CA C 13 60.192 0.012 . 1 . . . A 79 PHE CA . 34041 1 922 . 1 1 79 79 PHE CB C 13 36.863 0.061 . 1 . . . A 79 PHE CB . 34041 1 923 . 1 1 79 79 PHE CD1 C 13 128.563 0 . 3 . . . A 79 PHE CD1 . 34041 1 924 . 1 1 79 79 PHE CE1 C 13 127.662 0 . 3 . . . A 79 PHE CE1 . 34041 1 925 . 1 1 79 79 PHE CZ C 13 125.445 0 . 1 . . . A 79 PHE CZ . 34041 1 926 . 1 1 80 80 GLN HA H 1 3.953 0.006 . 1 . . . A 80 GLN HA . 34041 1 927 . 1 1 80 80 GLN HB2 H 1 2.242 0 . 1 . . . A 80 GLN HB2 . 34041 1 928 . 1 1 80 80 GLN HB3 H 1 2.301 0 . 1 . . . A 80 GLN HB3 . 34041 1 929 . 1 1 80 80 GLN HG2 H 1 2.276 0.008 . 1 . . . A 80 GLN HG2 . 34041 1 930 . 1 1 80 80 GLN HG3 H 1 2.317 0.005 . 1 . . . A 80 GLN HG3 . 34041 1 931 . 1 1 80 80 GLN HE21 H 1 6.838 0 . 1 . . . A 80 GLN HE21 . 34041 1 932 . 1 1 80 80 GLN HE22 H 1 7.653 0 . 1 . . . A 80 GLN HE22 . 34041 1 933 . 1 1 80 80 GLN CA C 13 57.425 0 . 1 . . . A 80 GLN CA . 34041 1 934 . 1 1 80 80 GLN CB C 13 26.443 0.019 . 1 . . . A 80 GLN CB . 34041 1 935 . 1 1 80 80 GLN CG C 13 32.301 0.034 . 1 . . . A 80 GLN CG . 34041 1 936 . 1 1 80 80 GLN NE2 N 15 110.672 0.003 . 1 . . . A 80 GLN NE2 . 34041 1 937 . 1 1 81 81 ASP H H 1 7.96 0.009 . 1 . . . A 81 ASP H . 34041 1 938 . 1 1 81 81 ASP HA H 1 4.34 0.011 . 1 . . . A 81 ASP HA . 34041 1 939 . 1 1 81 81 ASP HB2 H 1 2.547 0.006 . 2 . . . A 81 ASP HB2 . 34041 1 940 . 1 1 81 81 ASP HB3 H 1 2.547 0.006 . 2 . . . A 81 ASP HB3 . 34041 1 941 . 1 1 81 81 ASP CA C 13 54.416 0.017 . 1 . . . A 81 ASP CA . 34041 1 942 . 1 1 81 81 ASP CB C 13 38.434 0.005 . 1 . . . A 81 ASP CB . 34041 1 943 . 1 1 81 81 ASP N N 15 118.234 0.001 . 1 . . . A 81 ASP N . 34041 1 944 . 1 1 82 82 SER H H 1 8.06 0.003 . 1 . . . A 82 SER H . 34041 1 945 . 1 1 82 82 SER HA H 1 4.083 0 . 1 . . . A 82 SER HA . 34041 1 946 . 1 1 82 82 SER HB2 H 1 3.43 0 . 1 . . . A 82 SER HB2 . 34041 1 947 . 1 1 82 82 SER HB3 H 1 3.386 0 . 1 . . . A 82 SER HB3 . 34041 1 948 . 1 1 82 82 SER CA C 13 59.946 0.08 . 1 . . . A 82 SER CA . 34041 1 949 . 1 1 82 82 SER N N 15 113.777 0.034 . 1 . . . A 82 SER N . 34041 1 950 . 1 1 83 83 PHE H H 1 8.387 0.001 . 1 . . . A 83 PHE H . 34041 1 951 . 1 1 83 83 PHE HA H 1 4.25 0.006 . 1 . . . A 83 PHE HA . 34041 1 952 . 1 1 83 83 PHE HB2 H 1 2.674 0.01 . 1 . . . A 83 PHE HB2 . 34041 1 953 . 1 1 83 83 PHE HB3 H 1 3.14 0.008 . 1 . . . A 83 PHE HB3 . 34041 1 954 . 1 1 83 83 PHE HD1 H 1 6.872 0.005 . 3 . . . A 83 PHE HD1 . 34041 1 955 . 1 1 83 83 PHE HD2 H 1 6.872 0.005 . 3 . . . A 83 PHE HD2 . 34041 1 956 . 1 1 83 83 PHE HE1 H 1 6.497 0.004 . 3 . . . A 83 PHE HE1 . 34041 1 957 . 1 1 83 83 PHE HE2 H 1 6.497 0.004 . 3 . . . A 83 PHE HE2 . 34041 1 958 . 1 1 83 83 PHE HZ H 1 6.426 0.01 . 1 . . . A 83 PHE HZ . 34041 1 959 . 1 1 83 83 PHE CA C 13 59.73 0.002 . 1 . . . A 83 PHE CA . 34041 1 960 . 1 1 83 83 PHE CB C 13 35.332 0.017 . 1 . . . A 83 PHE CB . 34041 1 961 . 1 1 83 83 PHE CD1 C 13 128.96 0.043 . 3 . . . A 83 PHE CD1 . 34041 1 962 . 1 1 83 83 PHE CD2 C 13 129.003 0 . 3 . . . A 83 PHE CD2 . 34041 1 963 . 1 1 83 83 PHE CE1 C 13 127.657 0.044 . 3 . . . A 83 PHE CE1 . 34041 1 964 . 1 1 83 83 PHE CE2 C 13 127.701 0 . 3 . . . A 83 PHE CE2 . 34041 1 965 . 1 1 83 83 PHE CZ C 13 124.783 0.011 . 1 . . . A 83 PHE CZ . 34041 1 966 . 1 1 83 83 PHE N N 15 117.961 0.002 . 1 . . . A 83 PHE N . 34041 1 967 . 1 1 84 84 GLY H H 1 7.973 0.001 . 1 . . . A 84 GLY H . 34041 1 968 . 1 1 84 84 GLY HA2 H 1 2.91 0.004 . 1 . . . A 84 GLY HA2 . 34041 1 969 . 1 1 84 84 GLY HA3 H 1 3.877 0.008 . 1 . . . A 84 GLY HA3 . 34041 1 970 . 1 1 84 84 GLY CA C 13 44.824 0.01 . 1 . . . A 84 GLY CA . 34041 1 971 . 1 1 84 84 GLY N N 15 107.8 0.002 . 1 . . . A 84 GLY N . 34041 1 972 . 1 1 85 85 LYS H H 1 7.023 0.003 . 1 . . . A 85 LYS H . 34041 1 973 . 1 1 85 85 LYS HA H 1 4.02 0.005 . 1 . . . A 85 LYS HA . 34041 1 974 . 1 1 85 85 LYS HB2 H 1 1.797 0 . 1 . . . A 85 LYS HB2 . 34041 1 975 . 1 1 85 85 LYS HB3 H 1 1.851 0 . 1 . . . A 85 LYS HB3 . 34041 1 976 . 1 1 85 85 LYS HG2 H 1 1.392 0.004 . 1 . . . A 85 LYS HG2 . 34041 1 977 . 1 1 85 85 LYS HG3 H 1 1.558 0.002 . 1 . . . A 85 LYS HG3 . 34041 1 978 . 1 1 85 85 LYS HD2 H 1 1.585 0 . 2 . . . A 85 LYS HD2 . 34041 1 979 . 1 1 85 85 LYS HD3 H 1 1.585 0 . 2 . . . A 85 LYS HD3 . 34041 1 980 . 1 1 85 85 LYS HE2 H 1 2.845 0.005 . 2 . . . A 85 LYS HE2 . 34041 1 981 . 1 1 85 85 LYS HE3 H 1 2.845 0.005 . 2 . . . A 85 LYS HE3 . 34041 1 982 . 1 1 85 85 LYS CA C 13 55.877 0.063 . 1 . . . A 85 LYS CA . 34041 1 983 . 1 1 85 85 LYS CB C 13 30.677 0.01 . 1 . . . A 85 LYS CB . 34041 1 984 . 1 1 85 85 LYS CG C 13 22.864 0.079 . 1 . . . A 85 LYS CG . 34041 1 985 . 1 1 85 85 LYS CD C 13 26.437 0 . 1 . . . A 85 LYS CD . 34041 1 986 . 1 1 85 85 LYS CE C 13 39.396 0.021 . 1 . . . A 85 LYS CE . 34041 1 987 . 1 1 85 85 LYS N N 15 116.541 0.002 . 1 . . . A 85 LYS N . 34041 1 988 . 1 1 86 86 VAL H H 1 6.793 0.002 . 1 . . . A 86 VAL H . 34041 1 989 . 1 1 86 86 VAL HA H 1 4.925 0.005 . 1 . . . A 86 VAL HA . 34041 1 990 . 1 1 86 86 VAL HB H 1 2.468 0.006 . 1 . . . A 86 VAL HB . 34041 1 991 . 1 1 86 86 VAL HG11 H 1 0.865 0.004 . 2 . . . A 86 VAL HG11 . 34041 1 992 . 1 1 86 86 VAL HG12 H 1 0.865 0.004 . 2 . . . A 86 VAL HG12 . 34041 1 993 . 1 1 86 86 VAL HG13 H 1 0.865 0.004 . 2 . . . A 86 VAL HG13 . 34041 1 994 . 1 1 86 86 VAL HG21 H 1 1.22 0.005 . 2 . . . A 86 VAL HG21 . 34041 1 995 . 1 1 86 86 VAL HG22 H 1 1.22 0.005 . 2 . . . A 86 VAL HG22 . 34041 1 996 . 1 1 86 86 VAL HG23 H 1 1.22 0.005 . 2 . . . A 86 VAL HG23 . 34041 1 997 . 1 1 86 86 VAL CA C 13 57.667 0.02 . 1 . . . A 86 VAL CA . 34041 1 998 . 1 1 86 86 VAL CB C 13 30.644 0.027 . 1 . . . A 86 VAL CB . 34041 1 999 . 1 1 86 86 VAL CG1 C 13 18.93 0.001 . 2 . . . A 86 VAL CG1 . 34041 1 1000 . 1 1 86 86 VAL CG2 C 13 16.058 0.012 . 2 . . . A 86 VAL CG2 . 34041 1 1001 . 1 1 86 86 VAL N N 15 105.149 0.005 . 1 . . . A 86 VAL N . 34041 1 1002 . 1 1 87 87 ALA H H 1 7.476 0.001 . 1 . . . A 87 ALA H . 34041 1 1003 . 1 1 87 87 ALA HA H 1 3.86 0.005 . 1 . . . A 87 ALA HA . 34041 1 1004 . 1 1 87 87 ALA HB1 H 1 1.04 0.007 . 1 . . . A 87 ALA HB1 . 34041 1 1005 . 1 1 87 87 ALA HB2 H 1 1.04 0.007 . 1 . . . A 87 ALA HB2 . 34041 1 1006 . 1 1 87 87 ALA HB3 H 1 1.04 0.007 . 1 . . . A 87 ALA HB3 . 34041 1 1007 . 1 1 87 87 ALA CA C 13 54.054 0.006 . 1 . . . A 87 ALA CA . 34041 1 1008 . 1 1 87 87 ALA CB C 13 15.717 0.01 . 1 . . . A 87 ALA CB . 34041 1 1009 . 1 1 87 87 ALA N N 15 122.79 0.001 . 1 . . . A 87 ALA N . 34041 1 1010 . 1 1 88 88 ALA H H 1 9.256 0.001 . 1 . . . A 88 ALA H . 34041 1 1011 . 1 1 88 88 ALA HA H 1 3.692 0.006 . 1 . . . A 88 ALA HA . 34041 1 1012 . 1 1 88 88 ALA HB1 H 1 1.161 0.007 . 1 . . . A 88 ALA HB1 . 34041 1 1013 . 1 1 88 88 ALA HB2 H 1 1.161 0.007 . 1 . . . A 88 ALA HB2 . 34041 1 1014 . 1 1 88 88 ALA HB3 H 1 1.161 0.007 . 1 . . . A 88 ALA HB3 . 34041 1 1015 . 1 1 88 88 ALA CA C 13 54.145 0.001 . 1 . . . A 88 ALA CA . 34041 1 1016 . 1 1 88 88 ALA CB C 13 14.435 0.009 . 1 . . . A 88 ALA CB . 34041 1 1017 . 1 1 88 88 ALA N N 15 119.119 0.002 . 1 . . . A 88 ALA N . 34041 1 1018 . 1 1 89 89 GLU H H 1 8.67 0.001 . 1 . . . A 89 GLU H . 34041 1 1019 . 1 1 89 89 GLU HA H 1 3.834 0 . 1 . . . A 89 GLU HA . 34041 1 1020 . 1 1 89 89 GLU HB2 H 1 1.8 0.005 . 1 . . . A 89 GLU HB2 . 34041 1 1021 . 1 1 89 89 GLU HB3 H 1 1.976 0 . 1 . . . A 89 GLU HB3 . 34041 1 1022 . 1 1 89 89 GLU HG2 H 1 1.9 0 . 1 . . . A 89 GLU HG2 . 34041 1 1023 . 1 1 89 89 GLU HG3 H 1 2.106 0.001 . 1 . . . A 89 GLU HG3 . 34041 1 1024 . 1 1 89 89 GLU CA C 13 56.141 0 . 1 . . . A 89 GLU CA . 34041 1 1025 . 1 1 89 89 GLU CB C 13 26.793 0.01 . 1 . . . A 89 GLU CB . 34041 1 1026 . 1 1 89 89 GLU CG C 13 32.886 0.019 . 1 . . . A 89 GLU CG . 34041 1 1027 . 1 1 89 89 GLU N N 15 119.422 0.001 . 1 . . . A 89 GLU N . 34041 1 1028 . 1 1 90 90 VAL H H 1 7.593 0.001 . 1 . . . A 90 VAL H . 34041 1 1029 . 1 1 90 90 VAL HA H 1 3.346 0.007 . 1 . . . A 90 VAL HA . 34041 1 1030 . 1 1 90 90 VAL HB H 1 1.943 0.005 . 1 . . . A 90 VAL HB . 34041 1 1031 . 1 1 90 90 VAL HG11 H 1 0.315 0.008 . 2 . . . A 90 VAL HG11 . 34041 1 1032 . 1 1 90 90 VAL HG12 H 1 0.315 0.008 . 2 . . . A 90 VAL HG12 . 34041 1 1033 . 1 1 90 90 VAL HG13 H 1 0.315 0.008 . 2 . . . A 90 VAL HG13 . 34041 1 1034 . 1 1 90 90 VAL HG21 H 1 0.902 0.006 . 2 . . . A 90 VAL HG21 . 34041 1 1035 . 1 1 90 90 VAL HG22 H 1 0.902 0.006 . 2 . . . A 90 VAL HG22 . 34041 1 1036 . 1 1 90 90 VAL HG23 H 1 0.902 0.006 . 2 . . . A 90 VAL HG23 . 34041 1 1037 . 1 1 90 90 VAL CA C 13 63.893 0.033 . 1 . . . A 90 VAL CA . 34041 1 1038 . 1 1 90 90 VAL CB C 13 29.305 0.019 . 1 . . . A 90 VAL CB . 34041 1 1039 . 1 1 90 90 VAL CG1 C 13 19.511 0.026 . 2 . . . A 90 VAL CG1 . 34041 1 1040 . 1 1 90 90 VAL CG2 C 13 20.847 0.031 . 2 . . . A 90 VAL CG2 . 34041 1 1041 . 1 1 90 90 VAL N N 15 115.885 0.005 . 1 . . . A 90 VAL N . 34041 1 1042 . 1 1 91 91 LEU H H 1 8.93 0.004 . 1 . . . A 91 LEU H . 34041 1 1043 . 1 1 91 91 LEU HA H 1 3.729 0.009 . 1 . . . A 91 LEU HA . 34041 1 1044 . 1 1 91 91 LEU HB2 H 1 1.172 0.006 . 1 . . . A 91 LEU HB2 . 34041 1 1045 . 1 1 91 91 LEU HB3 H 1 1.795 0.002 . 1 . . . A 91 LEU HB3 . 34041 1 1046 . 1 1 91 91 LEU HG H 1 1.821 0.009 . 1 . . . A 91 LEU HG . 34041 1 1047 . 1 1 91 91 LEU HD11 H 1 0.72 0.005 . 2 . . . A 91 LEU HD11 . 34041 1 1048 . 1 1 91 91 LEU HD12 H 1 0.72 0.005 . 2 . . . A 91 LEU HD12 . 34041 1 1049 . 1 1 91 91 LEU HD13 H 1 0.72 0.005 . 2 . . . A 91 LEU HD13 . 34041 1 1050 . 1 1 91 91 LEU HD21 H 1 0.808 0.001 . 2 . . . A 91 LEU HD21 . 34041 1 1051 . 1 1 91 91 LEU HD22 H 1 0.808 0.001 . 2 . . . A 91 LEU HD22 . 34041 1 1052 . 1 1 91 91 LEU HD23 H 1 0.808 0.001 . 2 . . . A 91 LEU HD23 . 34041 1 1053 . 1 1 91 91 LEU CA C 13 55.947 0.015 . 1 . . . A 91 LEU CA . 34041 1 1054 . 1 1 91 91 LEU CB C 13 36.826 0.013 . 1 . . . A 91 LEU CB . 34041 1 1055 . 1 1 91 91 LEU CG C 13 26.605 0.016 . 1 . . . A 91 LEU CG . 34041 1 1056 . 1 1 91 91 LEU CD1 C 13 21.697 0.006 . 2 . . . A 91 LEU CD1 . 34041 1 1057 . 1 1 91 91 LEU CD2 C 13 22.087 0.019 . 2 . . . A 91 LEU CD2 . 34041 1 1058 . 1 1 91 91 LEU N N 15 118.298 0.002 . 1 . . . A 91 LEU N . 34041 1 1059 . 1 1 92 92 GLY H H 1 7.982 0.002 . 1 . . . A 92 GLY H . 34041 1 1060 . 1 1 92 92 GLY HA2 H 1 3.426 0.009 . 1 . . . A 92 GLY HA2 . 34041 1 1061 . 1 1 92 92 GLY HA3 H 1 3.758 0.007 . 1 . . . A 92 GLY HA3 . 34041 1 1062 . 1 1 92 92 GLY CA C 13 44.535 0.024 . 1 . . . A 92 GLY CA . 34041 1 1063 . 1 1 92 92 GLY N N 15 103.42 0.001 . 1 . . . A 92 GLY N . 34041 1 1064 . 1 1 93 93 ARG H H 1 7.154 0.003 . 1 . . . A 93 ARG H . 34041 1 1065 . 1 1 93 93 ARG HA H 1 4.005 0.006 . 1 . . . A 93 ARG HA . 34041 1 1066 . 1 1 93 93 ARG HB2 H 1 1.712 0.007 . 2 . . . A 93 ARG HB2 . 34041 1 1067 . 1 1 93 93 ARG HB3 H 1 1.712 0.007 . 2 . . . A 93 ARG HB3 . 34041 1 1068 . 1 1 93 93 ARG HG2 H 1 1.538 0 . 2 . . . A 93 ARG HG2 . 34041 1 1069 . 1 1 93 93 ARG HG3 H 1 1.538 0 . 2 . . . A 93 ARG HG3 . 34041 1 1070 . 1 1 93 93 ARG HD2 H 1 3.048 0.007 . 2 . . . A 93 ARG HD2 . 34041 1 1071 . 1 1 93 93 ARG HD3 H 1 3.018 0 . 2 . . . A 93 ARG HD3 . 34041 1 1072 . 1 1 93 93 ARG CA C 13 55.493 0.042 . 1 . . . A 93 ARG CA . 34041 1 1073 . 1 1 93 93 ARG CB C 13 26.556 0.036 . 1 . . . A 93 ARG CB . 34041 1 1074 . 1 1 93 93 ARG CG C 13 23.946 0.08 . 1 . . . A 93 ARG CG . 34041 1 1075 . 1 1 93 93 ARG CD C 13 39.246 0.033 . 1 . . . A 93 ARG CD . 34041 1 1076 . 1 1 93 93 ARG N N 15 120.168 0.001 . 1 . . . A 93 ARG N . 34041 1 1077 . 1 1 94 94 ILE H H 1 8.327 0.003 . 1 . . . A 94 ILE H . 34041 1 1078 . 1 1 94 94 ILE HA H 1 3.697 0.007 . 1 . . . A 94 ILE HA . 34041 1 1079 . 1 1 94 94 ILE HB H 1 0.994 0.01 . 1 . . . A 94 ILE HB . 34041 1 1080 . 1 1 94 94 ILE HG12 H 1 0.616 0 . 1 . . . A 94 ILE HG12 . 34041 1 1081 . 1 1 94 94 ILE HG13 H 1 1.404 0 . 1 . . . A 94 ILE HG13 . 34041 1 1082 . 1 1 94 94 ILE HG21 H 1 0.525 0.008 . 1 . . . A 94 ILE HG21 . 34041 1 1083 . 1 1 94 94 ILE HG22 H 1 0.525 0.008 . 1 . . . A 94 ILE HG22 . 34041 1 1084 . 1 1 94 94 ILE HG23 H 1 0.525 0.008 . 1 . . . A 94 ILE HG23 . 34041 1 1085 . 1 1 94 94 ILE HD11 H 1 0.425 0.004 . 1 . . . A 94 ILE HD11 . 34041 1 1086 . 1 1 94 94 ILE HD12 H 1 0.425 0.004 . 1 . . . A 94 ILE HD12 . 34041 1 1087 . 1 1 94 94 ILE HD13 H 1 0.425 0.004 . 1 . . . A 94 ILE HD13 . 34041 1 1088 . 1 1 94 94 ILE CA C 13 61.962 0.059 . 1 . . . A 94 ILE CA . 34041 1 1089 . 1 1 94 94 ILE CB C 13 32.858 0.008 . 1 . . . A 94 ILE CB . 34041 1 1090 . 1 1 94 94 ILE CG1 C 13 22.331 0.017 . 1 . . . A 94 ILE CG1 . 34041 1 1091 . 1 1 94 94 ILE CG2 C 13 15.064 0.024 . 1 . . . A 94 ILE CG2 . 34041 1 1092 . 1 1 94 94 ILE CD1 C 13 11.235 0.025 . 1 . . . A 94 ILE CD1 . 34041 1 1093 . 1 1 94 94 ILE N N 15 113.939 0.002 . 1 . . . A 94 ILE N . 34041 1 1094 . 1 1 95 95 ASN H H 1 7.541 0.002 . 1 . . . A 95 ASN H . 34041 1 1095 . 1 1 95 95 ASN HA H 1 3.942 0.005 . 1 . . . A 95 ASN HA . 34041 1 1096 . 1 1 95 95 ASN HB2 H 1 2.583 0.005 . 2 . . . A 95 ASN HB2 . 34041 1 1097 . 1 1 95 95 ASN HB3 H 1 2.583 0.005 . 2 . . . A 95 ASN HB3 . 34041 1 1098 . 1 1 95 95 ASN HD21 H 1 7.534 0.009 . 1 . . . A 95 ASN HD21 . 34041 1 1099 . 1 1 95 95 ASN HD22 H 1 6.661 0.002 . 1 . . . A 95 ASN HD22 . 34041 1 1100 . 1 1 95 95 ASN CA C 13 54.213 0.045 . 1 . . . A 95 ASN CA . 34041 1 1101 . 1 1 95 95 ASN CB C 13 36.985 0.04 . 1 . . . A 95 ASN CB . 34041 1 1102 . 1 1 95 95 ASN N N 15 117.991 0.001 . 1 . . . A 95 ASN N . 34041 1 1103 . 1 1 95 95 ASN ND2 N 15 113.847 0.015 . 1 . . . A 95 ASN ND2 . 34041 1 1104 . 1 1 96 96 GLN H H 1 6.822 0.006 . 1 . . . A 96 GLN H . 34041 1 1105 . 1 1 96 96 GLN HA H 1 3.963 0.006 . 1 . . . A 96 GLN HA . 34041 1 1106 . 1 1 96 96 GLN HB2 H 1 2.069 0.013 . 1 . . . A 96 GLN HB2 . 34041 1 1107 . 1 1 96 96 GLN HB3 H 1 2.083 0.004 . 1 . . . A 96 GLN HB3 . 34041 1 1108 . 1 1 96 96 GLN HG2 H 1 2.29 0.008 . 1 . . . A 96 GLN HG2 . 34041 1 1109 . 1 1 96 96 GLN HG3 H 1 2.48 0.004 . 1 . . . A 96 GLN HG3 . 34041 1 1110 . 1 1 96 96 GLN HE21 H 1 7.329 0 . 1 . . . A 96 GLN HE21 . 34041 1 1111 . 1 1 96 96 GLN HE22 H 1 6.724 0.001 . 1 . . . A 96 GLN HE22 . 34041 1 1112 . 1 1 96 96 GLN CA C 13 54.95 0.004 . 1 . . . A 96 GLN CA . 34041 1 1113 . 1 1 96 96 GLN CB C 13 26.144 0.021 . 1 . . . A 96 GLN CB . 34041 1 1114 . 1 1 96 96 GLN CG C 13 31.253 0.005 . 1 . . . A 96 GLN CG . 34041 1 1115 . 1 1 96 96 GLN N N 15 111.927 0.008 . 1 . . . A 96 GLN N . 34041 1 1116 . 1 1 96 96 GLN NE2 N 15 112.088 0.005 . 1 . . . A 96 GLN NE2 . 34041 1 1117 . 1 1 97 97 GLU H H 1 7.102 0 . 1 . . . A 97 GLU H . 34041 1 1118 . 1 1 97 97 GLU HA H 1 4.113 0.005 . 1 . . . A 97 GLU HA . 34041 1 1119 . 1 1 97 97 GLU HB2 H 1 1.893 0 . 1 . . . A 97 GLU HB2 . 34041 1 1120 . 1 1 97 97 GLU HB3 H 1 1.931 0.005 . 1 . . . A 97 GLU HB3 . 34041 1 1121 . 1 1 97 97 GLU HG2 H 1 2.118 0.016 . 1 . . . A 97 GLU HG2 . 34041 1 1122 . 1 1 97 97 GLU HG3 H 1 2.193 0.002 . 1 . . . A 97 GLU HG3 . 34041 1 1123 . 1 1 97 97 GLU CA C 13 54.033 0 . 1 . . . A 97 GLU CA . 34041 1 1124 . 1 1 97 97 GLU CB C 13 28.353 0.011 . 1 . . . A 97 GLU CB . 34041 1 1125 . 1 1 97 97 GLU CG C 13 33.299 0.015 . 1 . . . A 97 GLU CG . 34041 1 1126 . 1 1 97 97 GLU N N 15 116.723 0.003 . 1 . . . A 97 GLU N . 34041 1 1127 . 1 1 98 98 PHE H H 1 7.845 0.001 . 1 . . . A 98 PHE H . 34041 1 1128 . 1 1 98 98 PHE HA H 1 4.812 0.008 . 1 . . . A 98 PHE HA . 34041 1 1129 . 1 1 98 98 PHE HB2 H 1 3.041 0.012 . 1 . . . A 98 PHE HB2 . 34041 1 1130 . 1 1 98 98 PHE HB3 H 1 3.225 0.003 . 1 . . . A 98 PHE HB3 . 34041 1 1131 . 1 1 98 98 PHE HD1 H 1 6.805 0.003 . 3 . . . A 98 PHE HD1 . 34041 1 1132 . 1 1 98 98 PHE HD2 H 1 6.805 0.003 . 3 . . . A 98 PHE HD2 . 34041 1 1133 . 1 1 98 98 PHE HE1 H 1 6.98 0.005 . 3 . . . A 98 PHE HE1 . 34041 1 1134 . 1 1 98 98 PHE HE2 H 1 6.98 0.005 . 3 . . . A 98 PHE HE2 . 34041 1 1135 . 1 1 98 98 PHE HZ H 1 6.554 0.001 . 1 . . . A 98 PHE HZ . 34041 1 1136 . 1 1 98 98 PHE CA C 13 49.814 0.049 . 1 . . . A 98 PHE CA . 34041 1 1137 . 1 1 98 98 PHE CB C 13 35.129 0.032 . 1 . . . A 98 PHE CB . 34041 1 1138 . 1 1 98 98 PHE CD1 C 13 127.06 0.042 . 3 . . . A 98 PHE CD1 . 34041 1 1139 . 1 1 98 98 PHE CE1 C 13 127.957 0 . 3 . . . A 98 PHE CE1 . 34041 1 1140 . 1 1 98 98 PHE CZ C 13 124.826 0.019 . 1 . . . A 98 PHE CZ . 34041 1 1141 . 1 1 98 98 PHE N N 15 120.572 0.003 . 1 . . . A 98 PHE N . 34041 1 1142 . 1 1 99 99 PRO HA H 1 4.684 0.014 . 1 . . . A 99 PRO HA . 34041 1 1143 . 1 1 99 99 PRO HB2 H 1 2.173 0.009 . 1 . . . A 99 PRO HB2 . 34041 1 1144 . 1 1 99 99 PRO HB3 H 1 2.367 0.006 . 1 . . . A 99 PRO HB3 . 34041 1 1145 . 1 1 99 99 PRO HG2 H 1 2.086 0.005 . 1 . . . A 99 PRO HG2 . 34041 1 1146 . 1 1 99 99 PRO HG3 H 1 1.889 0.003 . 1 . . . A 99 PRO HG3 . 34041 1 1147 . 1 1 99 99 PRO HD2 H 1 3.34 0.005 . 1 . . . A 99 PRO HD2 . 34041 1 1148 . 1 1 99 99 PRO HD3 H 1 3.985 0.006 . 1 . . . A 99 PRO HD3 . 34041 1 1149 . 1 1 99 99 PRO CA C 13 58.992 0.012 . 1 . . . A 99 PRO CA . 34041 1 1150 . 1 1 99 99 PRO CB C 13 29.77 0.016 . 1 . . . A 99 PRO CB . 34041 1 1151 . 1 1 99 99 PRO CG C 13 24.74 0.013 . 1 . . . A 99 PRO CG . 34041 1 1152 . 1 1 99 99 PRO CD C 13 47.783 0.078 . 1 . . . A 99 PRO CD . 34041 1 1153 . 1 1 100 100 ARG H H 1 8.901 0.004 . 1 . . . A 100 ARG H . 34041 1 1154 . 1 1 100 100 ARG HA H 1 3.715 0.005 . 1 . . . A 100 ARG HA . 34041 1 1155 . 1 1 100 100 ARG HB2 H 1 1.898 0.005 . 1 . . . A 100 ARG HB2 . 34041 1 1156 . 1 1 100 100 ARG HB3 H 1 1.784 0.009 . 1 . . . A 100 ARG HB3 . 34041 1 1157 . 1 1 100 100 ARG HG2 H 1 1.691 0 . 1 . . . A 100 ARG HG2 . 34041 1 1158 . 1 1 100 100 ARG HG3 H 1 1.529 0.002 . 1 . . . A 100 ARG HG3 . 34041 1 1159 . 1 1 100 100 ARG HD2 H 1 3.13 0.006 . 2 . . . A 100 ARG HD2 . 34041 1 1160 . 1 1 100 100 ARG HD3 H 1 3.13 0.006 . 2 . . . A 100 ARG HD3 . 34041 1 1161 . 1 1 100 100 ARG CA C 13 58.086 0.031 . 1 . . . A 100 ARG CA . 34041 1 1162 . 1 1 100 100 ARG CB C 13 27.672 0.031 . 1 . . . A 100 ARG CB . 34041 1 1163 . 1 1 100 100 ARG CG C 13 24.261 0 . 1 . . . A 100 ARG CG . 34041 1 1164 . 1 1 100 100 ARG CD C 13 40.524 0.009 . 1 . . . A 100 ARG CD . 34041 1 1165 . 1 1 100 100 ARG N N 15 120.946 0.006 . 1 . . . A 100 ARG N . 34041 1 1166 . 1 1 101 101 ASP H H 1 9.046 0.001 . 1 . . . A 101 ASP H . 34041 1 1167 . 1 1 101 101 ASP HA H 1 4.245 0.008 . 1 . . . A 101 ASP HA . 34041 1 1168 . 1 1 101 101 ASP HB2 H 1 2.463 0.002 . 1 . . . A 101 ASP HB2 . 34041 1 1169 . 1 1 101 101 ASP HB3 H 1 2.576 0.003 . 1 . . . A 101 ASP HB3 . 34041 1 1170 . 1 1 101 101 ASP CA C 13 54.339 0.041 . 1 . . . A 101 ASP CA . 34041 1 1171 . 1 1 101 101 ASP CB C 13 36.582 0.025 . 1 . . . A 101 ASP CB . 34041 1 1172 . 1 1 101 101 ASP N N 15 116.149 0.023 . 1 . . . A 101 ASP N . 34041 1 1173 . 1 1 102 102 LEU H H 1 7.187 0.002 . 1 . . . A 102 LEU H . 34041 1 1174 . 1 1 102 102 LEU HA H 1 3.985 0.008 . 1 . . . A 102 LEU HA . 34041 1 1175 . 1 1 102 102 LEU HB2 H 1 0.736 0.004 . 1 . . . A 102 LEU HB2 . 34041 1 1176 . 1 1 102 102 LEU HB3 H 1 1.052 0.007 . 1 . . . A 102 LEU HB3 . 34041 1 1177 . 1 1 102 102 LEU HG H 1 1.333 0.004 . 1 . . . A 102 LEU HG . 34041 1 1178 . 1 1 102 102 LEU HD11 H 1 0.317 0.01 . 2 . . . A 102 LEU HD11 . 34041 1 1179 . 1 1 102 102 LEU HD12 H 1 0.317 0.01 . 2 . . . A 102 LEU HD12 . 34041 1 1180 . 1 1 102 102 LEU HD13 H 1 0.317 0.01 . 2 . . . A 102 LEU HD13 . 34041 1 1181 . 1 1 102 102 LEU HD21 H 1 0.346 0.008 . 2 . . . A 102 LEU HD21 . 34041 1 1182 . 1 1 102 102 LEU HD22 H 1 0.346 0.008 . 2 . . . A 102 LEU HD22 . 34041 1 1183 . 1 1 102 102 LEU HD23 H 1 0.346 0.008 . 2 . . . A 102 LEU HD23 . 34041 1 1184 . 1 1 102 102 LEU CA C 13 54.598 0.009 . 1 . . . A 102 LEU CA . 34041 1 1185 . 1 1 102 102 LEU CB C 13 37.395 0.06 . 1 . . . A 102 LEU CB . 34041 1 1186 . 1 1 102 102 LEU CG C 13 25.67 0.02 . 1 . . . A 102 LEU CG . 34041 1 1187 . 1 1 102 102 LEU CD1 C 13 20.954 0.007 . 2 . . . A 102 LEU CD1 . 34041 1 1188 . 1 1 102 102 LEU CD2 C 13 21.787 0.017 . 2 . . . A 102 LEU CD2 . 34041 1 1189 . 1 1 102 102 LEU N N 15 120.38 0.021 . 1 . . . A 102 LEU N . 34041 1 1190 . 1 1 103 103 LYS H H 1 8.587 0.006 . 1 . . . A 103 LYS H . 34041 1 1191 . 1 1 103 103 LYS HA H 1 4.029 0.007 . 1 . . . A 103 LYS HA . 34041 1 1192 . 1 1 103 103 LYS HB2 H 1 1.938 0.012 . 2 . . . A 103 LYS HB2 . 34041 1 1193 . 1 1 103 103 LYS HB3 H 1 1.938 0.012 . 2 . . . A 103 LYS HB3 . 34041 1 1194 . 1 1 103 103 LYS HG2 H 1 1.57 0 . 2 . . . A 103 LYS HG2 . 34041 1 1195 . 1 1 103 103 LYS HG3 H 1 1.57 0 . 2 . . . A 103 LYS HG3 . 34041 1 1196 . 1 1 103 103 LYS HD2 H 1 1.596 0 . 2 . . . A 103 LYS HD2 . 34041 1 1197 . 1 1 103 103 LYS HD3 H 1 1.596 0 . 2 . . . A 103 LYS HD3 . 34041 1 1198 . 1 1 103 103 LYS HE2 H 1 2.982 0 . 2 . . . A 103 LYS HE2 . 34041 1 1199 . 1 1 103 103 LYS HE3 H 1 2.982 0 . 2 . . . A 103 LYS HE3 . 34041 1 1200 . 1 1 103 103 LYS CA C 13 58.619 0.01 . 1 . . . A 103 LYS CA . 34041 1 1201 . 1 1 103 103 LYS CB C 13 30.674 0 . 1 . . . A 103 LYS CB . 34041 1 1202 . 1 1 103 103 LYS CG C 13 23.145 0 . 1 . . . A 103 LYS CG . 34041 1 1203 . 1 1 103 103 LYS CD C 13 27.511 0 . 1 . . . A 103 LYS CD . 34041 1 1204 . 1 1 103 103 LYS CE C 13 39.657 0 . 1 . . . A 103 LYS CE . 34041 1 1205 . 1 1 103 103 LYS N N 15 122.301 0.001 . 1 . . . A 103 LYS N . 34041 1 1206 . 1 1 104 104 LYS H H 1 7.451 0.002 . 1 . . . A 104 LYS H . 34041 1 1207 . 1 1 104 104 LYS HA H 1 4.064 0.007 . 1 . . . A 104 LYS HA . 34041 1 1208 . 1 1 104 104 LYS HB2 H 1 1.842 0.006 . 2 . . . A 104 LYS HB2 . 34041 1 1209 . 1 1 104 104 LYS HB3 H 1 1.842 0.006 . 2 . . . A 104 LYS HB3 . 34041 1 1210 . 1 1 104 104 LYS HG2 H 1 1.383 0.007 . 1 . . . A 104 LYS HG2 . 34041 1 1211 . 1 1 104 104 LYS HG3 H 1 1.546 0.006 . 1 . . . A 104 LYS HG3 . 34041 1 1212 . 1 1 104 104 LYS HD2 H 1 1.625 0.005 . 2 . . . A 104 LYS HD2 . 34041 1 1213 . 1 1 104 104 LYS HD3 H 1 1.625 0.005 . 2 . . . A 104 LYS HD3 . 34041 1 1214 . 1 1 104 104 LYS HE2 H 1 2.869 0.001 . 2 . . . A 104 LYS HE2 . 34041 1 1215 . 1 1 104 104 LYS HE3 H 1 2.869 0.001 . 2 . . . A 104 LYS HE3 . 34041 1 1216 . 1 1 104 104 LYS CA C 13 56.746 0.005 . 1 . . . A 104 LYS CA . 34041 1 1217 . 1 1 104 104 LYS CB C 13 29.477 0.012 . 1 . . . A 104 LYS CB . 34041 1 1218 . 1 1 104 104 LYS CG C 13 22.469 0.069 . 1 . . . A 104 LYS CG . 34041 1 1219 . 1 1 104 104 LYS CD C 13 26.573 0.026 . 1 . . . A 104 LYS CD . 34041 1 1220 . 1 1 104 104 LYS CE C 13 39.281 0.021 . 1 . . . A 104 LYS CE . 34041 1 1221 . 1 1 104 104 LYS N N 15 117.498 0.001 . 1 . . . A 104 LYS N . 34041 1 1222 . 1 1 105 105 LYS H H 1 7.001 0.001 . 1 . . . A 105 LYS H . 34041 1 1223 . 1 1 105 105 LYS HA H 1 4.096 0.01 . 1 . . . A 105 LYS HA . 34041 1 1224 . 1 1 105 105 LYS HB2 H 1 1.926 0.004 . 2 . . . A 105 LYS HB2 . 34041 1 1225 . 1 1 105 105 LYS HB3 H 1 1.926 0.004 . 2 . . . A 105 LYS HB3 . 34041 1 1226 . 1 1 105 105 LYS HG2 H 1 1.493 0.001 . 1 . . . A 105 LYS HG2 . 34041 1 1227 . 1 1 105 105 LYS HG3 H 1 1.605 0 . 1 . . . A 105 LYS HG3 . 34041 1 1228 . 1 1 105 105 LYS HD2 H 1 1.503 0 . 1 . . . A 105 LYS HD2 . 34041 1 1229 . 1 1 105 105 LYS HD3 H 1 1.785 0 . 1 . . . A 105 LYS HD3 . 34041 1 1230 . 1 1 105 105 LYS HE2 H 1 2.886 0 . 2 . . . A 105 LYS HE2 . 34041 1 1231 . 1 1 105 105 LYS HE3 H 1 2.886 0 . 2 . . . A 105 LYS HE3 . 34041 1 1232 . 1 1 105 105 LYS CA C 13 56.768 0.054 . 1 . . . A 105 LYS CA . 34041 1 1233 . 1 1 105 105 LYS CB C 13 29.944 0.027 . 1 . . . A 105 LYS CB . 34041 1 1234 . 1 1 105 105 LYS CG C 13 23.509 0 . 1 . . . A 105 LYS CG . 34041 1 1235 . 1 1 105 105 LYS CD C 13 26.651 0.029 . 1 . . . A 105 LYS CD . 34041 1 1236 . 1 1 105 105 LYS CE C 13 39.365 0 . 1 . . . A 105 LYS CE . 34041 1 1237 . 1 1 105 105 LYS N N 15 119.242 0.002 . 1 . . . A 105 LYS N . 34041 1 1238 . 1 1 106 106 LEU H H 1 8.21 0.001 . 1 . . . A 106 LEU H . 34041 1 1239 . 1 1 106 106 LEU HA H 1 3.912 0 . 1 . . . A 106 LEU HA . 34041 1 1240 . 1 1 106 106 LEU HB2 H 1 2.141 0.007 . 1 . . . A 106 LEU HB2 . 34041 1 1241 . 1 1 106 106 LEU HB3 H 1 1.611 0 . 1 . . . A 106 LEU HB3 . 34041 1 1242 . 1 1 106 106 LEU HG H 1 1.494 0.003 . 1 . . . A 106 LEU HG . 34041 1 1243 . 1 1 106 106 LEU HD11 H 1 0.769 0.005 . 2 . . . A 106 LEU HD11 . 34041 1 1244 . 1 1 106 106 LEU HD12 H 1 0.769 0.005 . 2 . . . A 106 LEU HD12 . 34041 1 1245 . 1 1 106 106 LEU HD13 H 1 0.769 0.005 . 2 . . . A 106 LEU HD13 . 34041 1 1246 . 1 1 106 106 LEU HD21 H 1 0.762 0.004 . 2 . . . A 106 LEU HD21 . 34041 1 1247 . 1 1 106 106 LEU HD22 H 1 0.762 0.004 . 2 . . . A 106 LEU HD22 . 34041 1 1248 . 1 1 106 106 LEU HD23 H 1 0.762 0.004 . 2 . . . A 106 LEU HD23 . 34041 1 1249 . 1 1 106 106 LEU CA C 13 56.645 0 . 1 . . . A 106 LEU CA . 34041 1 1250 . 1 1 106 106 LEU CB C 13 38.758 0.084 . 1 . . . A 106 LEU CB . 34041 1 1251 . 1 1 106 106 LEU CG C 13 25.114 0.031 . 1 . . . A 106 LEU CG . 34041 1 1252 . 1 1 106 106 LEU CD1 C 13 24.462 0.025 . 2 . . . A 106 LEU CD1 . 34041 1 1253 . 1 1 106 106 LEU CD2 C 13 22.852 0.043 . 2 . . . A 106 LEU CD2 . 34041 1 1254 . 1 1 106 106 LEU N N 15 121.698 0.006 . 1 . . . A 106 LEU N . 34041 1 1255 . 1 1 107 107 SER H H 1 8.539 0.001 . 1 . . . A 107 SER H . 34041 1 1256 . 1 1 107 107 SER HA H 1 3.856 0.01 . 1 . . . A 107 SER HA . 34041 1 1257 . 1 1 107 107 SER HB2 H 1 3.886 0 . 1 . . . A 107 SER HB2 . 34041 1 1258 . 1 1 107 107 SER HB3 H 1 3.886 0 . 1 . . . A 107 SER HB3 . 34041 1 1259 . 1 1 107 107 SER CA C 13 59.703 0.051 . 1 . . . A 107 SER CA . 34041 1 1260 . 1 1 107 107 SER CB C 13 59.815 0 . 1 . . . A 107 SER CB . 34041 1 1261 . 1 1 107 107 SER N N 15 115.279 0 . 1 . . . A 107 SER N . 34041 1 1262 . 1 1 108 108 ARG H H 1 7.546 0.003 . 1 . . . A 108 ARG H . 34041 1 1263 . 1 1 108 108 ARG HA H 1 4.067 0.004 . 1 . . . A 108 ARG HA . 34041 1 1264 . 1 1 108 108 ARG HB2 H 1 2.003 0.003 . 1 . . . A 108 ARG HB2 . 34041 1 1265 . 1 1 108 108 ARG HB3 H 1 1.91 0 . 1 . . . A 108 ARG HB3 . 34041 1 1266 . 1 1 108 108 ARG HG2 H 1 1.613 0 . 2 . . . A 108 ARG HG2 . 34041 1 1267 . 1 1 108 108 ARG HG3 H 1 1.613 0 . 2 . . . A 108 ARG HG3 . 34041 1 1268 . 1 1 108 108 ARG HD2 H 1 3.056 0.006 . 1 . . . A 108 ARG HD2 . 34041 1 1269 . 1 1 108 108 ARG HD3 H 1 3.202 0.006 . 1 . . . A 108 ARG HD3 . 34041 1 1270 . 1 1 108 108 ARG CA C 13 56.557 0.059 . 1 . . . A 108 ARG CA . 34041 1 1271 . 1 1 108 108 ARG CB C 13 26.563 0.007 . 1 . . . A 108 ARG CB . 34041 1 1272 . 1 1 108 108 ARG CG C 13 24.214 0 . 1 . . . A 108 ARG CG . 34041 1 1273 . 1 1 108 108 ARG CD C 13 40.491 0.029 . 1 . . . A 108 ARG CD . 34041 1 1274 . 1 1 108 108 ARG N N 15 120.892 0.024 . 1 . . . A 108 ARG N . 34041 1 1275 . 1 1 109 109 VAL H H 1 7.597 0.002 . 1 . . . A 109 VAL H . 34041 1 1276 . 1 1 109 109 VAL HA H 1 3.379 0.008 . 1 . . . A 109 VAL HA . 34041 1 1277 . 1 1 109 109 VAL HB H 1 2.388 0.006 . 1 . . . A 109 VAL HB . 34041 1 1278 . 1 1 109 109 VAL HG11 H 1 1.19 0.004 . 2 . . . A 109 VAL HG11 . 34041 1 1279 . 1 1 109 109 VAL HG12 H 1 1.19 0.004 . 2 . . . A 109 VAL HG12 . 34041 1 1280 . 1 1 109 109 VAL HG13 H 1 1.19 0.004 . 2 . . . A 109 VAL HG13 . 34041 1 1281 . 1 1 109 109 VAL HG21 H 1 0.876 0.005 . 2 . . . A 109 VAL HG21 . 34041 1 1282 . 1 1 109 109 VAL HG22 H 1 0.876 0.005 . 2 . . . A 109 VAL HG22 . 34041 1 1283 . 1 1 109 109 VAL HG23 H 1 0.876 0.005 . 2 . . . A 109 VAL HG23 . 34041 1 1284 . 1 1 109 109 VAL CA C 13 64.711 0.021 . 1 . . . A 109 VAL CA . 34041 1 1285 . 1 1 109 109 VAL CB C 13 28.748 0.026 . 1 . . . A 109 VAL CB . 34041 1 1286 . 1 1 109 109 VAL CG1 C 13 20.79 0.004 . 2 . . . A 109 VAL CG1 . 34041 1 1287 . 1 1 109 109 VAL CG2 C 13 18.172 0.004 . 2 . . . A 109 VAL CG2 . 34041 1 1288 . 1 1 109 109 VAL N N 15 118.093 0.006 . 1 . . . A 109 VAL N . 34041 1 1289 . 1 1 110 110 VAL H H 1 8.203 0.005 . 1 . . . A 110 VAL H . 34041 1 1290 . 1 1 110 110 VAL HA H 1 3.295 0 . 1 . . . A 110 VAL HA . 34041 1 1291 . 1 1 110 110 VAL HB H 1 2.087 0 . 1 . . . A 110 VAL HB . 34041 1 1292 . 1 1 110 110 VAL HG11 H 1 0.884 0 . 2 . . . A 110 VAL HG11 . 34041 1 1293 . 1 1 110 110 VAL HG12 H 1 0.884 0 . 2 . . . A 110 VAL HG12 . 34041 1 1294 . 1 1 110 110 VAL HG13 H 1 0.884 0 . 2 . . . A 110 VAL HG13 . 34041 1 1295 . 1 1 110 110 VAL HG21 H 1 0.774 0 . 2 . . . A 110 VAL HG21 . 34041 1 1296 . 1 1 110 110 VAL HG22 H 1 0.774 0 . 2 . . . A 110 VAL HG22 . 34041 1 1297 . 1 1 110 110 VAL HG23 H 1 0.774 0 . 2 . . . A 110 VAL HG23 . 34041 1 1298 . 1 1 110 110 VAL CA C 13 65.257 0 . 1 . . . A 110 VAL CA . 34041 1 1299 . 1 1 110 110 VAL CB C 13 28.471 0.011 . 1 . . . A 110 VAL CB . 34041 1 1300 . 1 1 110 110 VAL CG1 C 13 21.497 0.008 . 2 . . . A 110 VAL CG1 . 34041 1 1301 . 1 1 110 110 VAL CG2 C 13 18.324 0.02 . 2 . . . A 110 VAL CG2 . 34041 1 1302 . 1 1 110 110 VAL N N 15 118.231 0.008 . 1 . . . A 110 VAL N . 34041 1 1303 . 1 1 111 111 ASN H H 1 8.213 0.001 . 1 . . . A 111 ASN H . 34041 1 1304 . 1 1 111 111 ASN HA H 1 4.301 0.008 . 1 . . . A 111 ASN HA . 34041 1 1305 . 1 1 111 111 ASN HB2 H 1 2.712 0.008 . 1 . . . A 111 ASN HB2 . 34041 1 1306 . 1 1 111 111 ASN HB3 H 1 2.828 0.002 . 1 . . . A 111 ASN HB3 . 34041 1 1307 . 1 1 111 111 ASN HD21 H 1 6.836 0.002 . 1 . . . A 111 ASN HD21 . 34041 1 1308 . 1 1 111 111 ASN HD22 H 1 7.365 0.005 . 1 . . . A 111 ASN HD22 . 34041 1 1309 . 1 1 111 111 ASN CA C 13 54.007 0.014 . 1 . . . A 111 ASN CA . 34041 1 1310 . 1 1 111 111 ASN CB C 13 35.487 0.043 . 1 . . . A 111 ASN CB . 34041 1 1311 . 1 1 111 111 ASN N N 15 117.448 0.024 . 1 . . . A 111 ASN N . 34041 1 1312 . 1 1 111 111 ASN ND2 N 15 112.411 0.002 . 1 . . . A 111 ASN ND2 . 34041 1 1313 . 1 1 112 112 ILE H H 1 8.065 0.001 . 1 . . . A 112 ILE H . 34041 1 1314 . 1 1 112 112 ILE HA H 1 3.606 0.009 . 1 . . . A 112 ILE HA . 34041 1 1315 . 1 1 112 112 ILE HB H 1 1.775 0.009 . 1 . . . A 112 ILE HB . 34041 1 1316 . 1 1 112 112 ILE HG12 H 1 1.544 0 . 1 . . . A 112 ILE HG12 . 34041 1 1317 . 1 1 112 112 ILE HG13 H 1 0.871 0 . 1 . . . A 112 ILE HG13 . 34041 1 1318 . 1 1 112 112 ILE HG21 H 1 0.591 0.009 . 1 . . . A 112 ILE HG21 . 34041 1 1319 . 1 1 112 112 ILE HG22 H 1 0.591 0.009 . 1 . . . A 112 ILE HG22 . 34041 1 1320 . 1 1 112 112 ILE HG23 H 1 0.591 0.009 . 1 . . . A 112 ILE HG23 . 34041 1 1321 . 1 1 112 112 ILE HD11 H 1 0.569 0.013 . 1 . . . A 112 ILE HD11 . 34041 1 1322 . 1 1 112 112 ILE HD12 H 1 0.569 0.013 . 1 . . . A 112 ILE HD12 . 34041 1 1323 . 1 1 112 112 ILE HD13 H 1 0.569 0.013 . 1 . . . A 112 ILE HD13 . 34041 1 1324 . 1 1 112 112 ILE CA C 13 61.874 0.029 . 1 . . . A 112 ILE CA . 34041 1 1325 . 1 1 112 112 ILE CB C 13 35.124 0.037 . 1 . . . A 112 ILE CB . 34041 1 1326 . 1 1 112 112 ILE CG1 C 13 26.014 0.002 . 1 . . . A 112 ILE CG1 . 34041 1 1327 . 1 1 112 112 ILE CG2 C 13 14.788 0.019 . 1 . . . A 112 ILE CG2 . 34041 1 1328 . 1 1 112 112 ILE CD1 C 13 13.015 0.024 . 1 . . . A 112 ILE CD1 . 34041 1 1329 . 1 1 112 112 ILE N N 15 122.354 0.003 . 1 . . . A 112 ILE N . 34041 1 1330 . 1 1 113 113 LEU H H 1 8.218 0.003 . 1 . . . A 113 LEU H . 34041 1 1331 . 1 1 113 113 LEU HA H 1 3.563 0.006 . 1 . . . A 113 LEU HA . 34041 1 1332 . 1 1 113 113 LEU HB2 H 1 0.909 0.006 . 1 . . . A 113 LEU HB2 . 34041 1 1333 . 1 1 113 113 LEU HB3 H 1 2.014 0.009 . 1 . . . A 113 LEU HB3 . 34041 1 1334 . 1 1 113 113 LEU HG H 1 2.034 0.007 . 1 . . . A 113 LEU HG . 34041 1 1335 . 1 1 113 113 LEU HD11 H 1 0.556 0.006 . 2 . . . A 113 LEU HD11 . 34041 1 1336 . 1 1 113 113 LEU HD12 H 1 0.556 0.006 . 2 . . . A 113 LEU HD12 . 34041 1 1337 . 1 1 113 113 LEU HD13 H 1 0.556 0.006 . 2 . . . A 113 LEU HD13 . 34041 1 1338 . 1 1 113 113 LEU HD21 H 1 0.679 0.002 . 2 . . . A 113 LEU HD21 . 34041 1 1339 . 1 1 113 113 LEU HD22 H 1 0.679 0.002 . 2 . . . A 113 LEU HD22 . 34041 1 1340 . 1 1 113 113 LEU HD23 H 1 0.679 0.002 . 2 . . . A 113 LEU HD23 . 34041 1 1341 . 1 1 113 113 LEU CA C 13 55.118 0.025 . 1 . . . A 113 LEU CA . 34041 1 1342 . 1 1 113 113 LEU CB C 13 38.821 0.033 . 1 . . . A 113 LEU CB . 34041 1 1343 . 1 1 113 113 LEU CG C 13 23.178 0.02 . 1 . . . A 113 LEU CG . 34041 1 1344 . 1 1 113 113 LEU CD1 C 13 20.814 0.009 . 2 . . . A 113 LEU CD1 . 34041 1 1345 . 1 1 113 113 LEU CD2 C 13 23.063 0 . 2 . . . A 113 LEU CD2 . 34041 1 1346 . 1 1 113 113 LEU N N 15 119.32 0.006 . 1 . . . A 113 LEU N . 34041 1 1347 . 1 1 114 114 LYS H H 1 8.335 0.001 . 1 . . . A 114 LYS H . 34041 1 1348 . 1 1 114 114 LYS HA H 1 3.926 0.006 . 1 . . . A 114 LYS HA . 34041 1 1349 . 1 1 114 114 LYS HB2 H 1 1.735 0.011 . 1 . . . A 114 LYS HB2 . 34041 1 1350 . 1 1 114 114 LYS HB3 H 1 1.934 0.003 . 1 . . . A 114 LYS HB3 . 34041 1 1351 . 1 1 114 114 LYS HG2 H 1 1.216 0 . 1 . . . A 114 LYS HG2 . 34041 1 1352 . 1 1 114 114 LYS HG3 H 1 1.5 0 . 1 . . . A 114 LYS HG3 . 34041 1 1353 . 1 1 114 114 LYS HD2 H 1 1.54 0 . 2 . . . A 114 LYS HD2 . 34041 1 1354 . 1 1 114 114 LYS HD3 H 1 1.54 0 . 2 . . . A 114 LYS HD3 . 34041 1 1355 . 1 1 114 114 LYS HE2 H 1 2.788 0 . 1 . . . A 114 LYS HE2 . 34041 1 1356 . 1 1 114 114 LYS HE3 H 1 2.788 0 . 1 . . . A 114 LYS HE3 . 34041 1 1357 . 1 1 114 114 LYS CA C 13 57.002 0 . 1 . . . A 114 LYS CA . 34041 1 1358 . 1 1 114 114 LYS CB C 13 30.265 0.035 . 1 . . . A 114 LYS CB . 34041 1 1359 . 1 1 114 114 LYS CG C 13 22.226 0.007 . 1 . . . A 114 LYS CG . 34041 1 1360 . 1 1 114 114 LYS CD C 13 27.097 0 . 1 . . . A 114 LYS CD . 34041 1 1361 . 1 1 114 114 LYS CE C 13 38.901 0 . 1 . . . A 114 LYS CE . 34041 1 1362 . 1 1 114 114 LYS N N 15 119.045 0.005 . 1 . . . A 114 LYS N . 34041 1 1363 . 1 1 115 115 GLU H H 1 8.518 0.002 . 1 . . . A 115 GLU H . 34041 1 1364 . 1 1 115 115 GLU HA H 1 3.86 0.005 . 1 . . . A 115 GLU HA . 34041 1 1365 . 1 1 115 115 GLU HB2 H 1 1.901 0.004 . 1 . . . A 115 GLU HB2 . 34041 1 1366 . 1 1 115 115 GLU HB3 H 1 2.009 0.004 . 1 . . . A 115 GLU HB3 . 34041 1 1367 . 1 1 115 115 GLU HG2 H 1 2.161 0 . 1 . . . A 115 GLU HG2 . 34041 1 1368 . 1 1 115 115 GLU HG3 H 1 2.203 0 . 1 . . . A 115 GLU HG3 . 34041 1 1369 . 1 1 115 115 GLU CA C 13 56.311 0.024 . 1 . . . A 115 GLU CA . 34041 1 1370 . 1 1 115 115 GLU CB C 13 26.802 0.065 . 1 . . . A 115 GLU CB . 34041 1 1371 . 1 1 115 115 GLU CG C 13 33.444 0.029 . 1 . . . A 115 GLU CG . 34041 1 1372 . 1 1 115 115 GLU N N 15 121.387 0.007 . 1 . . . A 115 GLU N . 34041 1 1373 . 1 1 116 116 ARG H H 1 7.682 0.003 . 1 . . . A 116 ARG H . 34041 1 1374 . 1 1 116 116 ARG HA H 1 3.978 0.015 . 1 . . . A 116 ARG HA . 34041 1 1375 . 1 1 116 116 ARG HB2 H 1 1.098 0.019 . 2 . . . A 116 ARG HB2 . 34041 1 1376 . 1 1 116 116 ARG HB3 H 1 1.098 0.019 . 2 . . . A 116 ARG HB3 . 34041 1 1377 . 1 1 116 116 ARG HG2 H 1 1.468 0 . 2 . . . A 116 ARG HG2 . 34041 1 1378 . 1 1 116 116 ARG HG3 H 1 1.468 0 . 2 . . . A 116 ARG HG3 . 34041 1 1379 . 1 1 116 116 ARG HE H 1 7.175 0.005 . 1 . . . A 116 ARG HE . 34041 1 1380 . 1 1 116 116 ARG CA C 13 53.344 0.037 . 1 . . . A 116 ARG CA . 34041 1 1381 . 1 1 116 116 ARG CB C 13 26.578 0.045 . 1 . . . A 116 ARG CB . 34041 1 1382 . 1 1 116 116 ARG CG C 13 25.037 0 . 1 . . . A 116 ARG CG . 34041 1 1383 . 1 1 116 116 ARG N N 15 113.914 0.01 . 1 . . . A 116 ARG N . 34041 1 1384 . 1 1 116 116 ARG NE N 15 85.452 0.034 . 1 . . . A 116 ARG NE . 34041 1 1385 . 1 1 117 117 ASN H H 1 7.688 0.001 . 1 . . . A 117 ASN H . 34041 1 1386 . 1 1 117 117 ASN HA H 1 4.335 0.005 . 1 . . . A 117 ASN HA . 34041 1 1387 . 1 1 117 117 ASN HB2 H 1 2.561 0.006 . 1 . . . A 117 ASN HB2 . 34041 1 1388 . 1 1 117 117 ASN HB3 H 1 2.854 0.005 . 1 . . . A 117 ASN HB3 . 34041 1 1389 . 1 1 117 117 ASN HD21 H 1 7.381 0 . 1 . . . A 117 ASN HD21 . 34041 1 1390 . 1 1 117 117 ASN HD22 H 1 6.707 0.001 . 1 . . . A 117 ASN HD22 . 34041 1 1391 . 1 1 117 117 ASN CA C 13 51.415 0.012 . 1 . . . A 117 ASN CA . 34041 1 1392 . 1 1 117 117 ASN CB C 13 34.134 0.014 . 1 . . . A 117 ASN CB . 34041 1 1393 . 1 1 117 117 ASN N N 15 115.269 0.005 . 1 . . . A 117 ASN N . 34041 1 1394 . 1 1 117 117 ASN ND2 N 15 112.918 0.004 . 1 . . . A 117 ASN ND2 . 34041 1 1395 . 1 1 118 118 ILE H H 1 7.512 0.002 . 1 . . . A 118 ILE H . 34041 1 1396 . 1 1 118 118 ILE HA H 1 3.346 0.005 . 1 . . . A 118 ILE HA . 34041 1 1397 . 1 1 118 118 ILE HB H 1 1.254 0.008 . 1 . . . A 118 ILE HB . 34041 1 1398 . 1 1 118 118 ILE HG12 H 1 1.397 0.01 . 1 . . . A 118 ILE HG12 . 34041 1 1399 . 1 1 118 118 ILE HG13 H 1 0.851 0 . 1 . . . A 118 ILE HG13 . 34041 1 1400 . 1 1 118 118 ILE HG21 H 1 -0.069 0.005 . 1 . . . A 118 ILE HG21 . 34041 1 1401 . 1 1 118 118 ILE HG22 H 1 -0.069 0.005 . 1 . . . A 118 ILE HG22 . 34041 1 1402 . 1 1 118 118 ILE HG23 H 1 -0.069 0.005 . 1 . . . A 118 ILE HG23 . 34041 1 1403 . 1 1 118 118 ILE HD11 H 1 0.377 0.004 . 1 . . . A 118 ILE HD11 . 34041 1 1404 . 1 1 118 118 ILE HD12 H 1 0.377 0.004 . 1 . . . A 118 ILE HD12 . 34041 1 1405 . 1 1 118 118 ILE HD13 H 1 0.377 0.004 . 1 . . . A 118 ILE HD13 . 34041 1 1406 . 1 1 118 118 ILE CA C 13 58.331 0.019 . 1 . . . A 118 ILE CA . 34041 1 1407 . 1 1 118 118 ILE CB C 13 33.117 0.022 . 1 . . . A 118 ILE CB . 34041 1 1408 . 1 1 118 118 ILE CG1 C 13 24.589 0.009 . 1 . . . A 118 ILE CG1 . 34041 1 1409 . 1 1 118 118 ILE CG2 C 13 14.295 0.001 . 1 . . . A 118 ILE CG2 . 34041 1 1410 . 1 1 118 118 ILE CD1 C 13 6.796 0.004 . 1 . . . A 118 ILE CD1 . 34041 1 1411 . 1 1 118 118 ILE N N 15 116.023 0.008 . 1 . . . A 118 ILE N . 34041 1 1412 . 1 1 119 119 PHE H H 1 8.057 0.001 . 1 . . . A 119 PHE H . 34041 1 1413 . 1 1 119 119 PHE HA H 1 5.061 0.005 . 1 . . . A 119 PHE HA . 34041 1 1414 . 1 1 119 119 PHE HB2 H 1 2.528 0.006 . 1 . . . A 119 PHE HB2 . 34041 1 1415 . 1 1 119 119 PHE HB3 H 1 3.257 0.007 . 1 . . . A 119 PHE HB3 . 34041 1 1416 . 1 1 119 119 PHE HD1 H 1 7.109 0.003 . 3 . . . A 119 PHE HD1 . 34041 1 1417 . 1 1 119 119 PHE HD2 H 1 7.109 0.003 . 3 . . . A 119 PHE HD2 . 34041 1 1418 . 1 1 119 119 PHE HE1 H 1 7.03 0 . 3 . . . A 119 PHE HE1 . 34041 1 1419 . 1 1 119 119 PHE HE2 H 1 7.03 0 . 3 . . . A 119 PHE HE2 . 34041 1 1420 . 1 1 119 119 PHE HZ H 1 6.94 0 . 1 . . . A 119 PHE HZ . 34041 1 1421 . 1 1 119 119 PHE CA C 13 51.586 0.025 . 1 . . . A 119 PHE CA . 34041 1 1422 . 1 1 119 119 PHE CB C 13 39.706 0.036 . 1 . . . A 119 PHE CB . 34041 1 1423 . 1 1 119 119 PHE CD1 C 13 128.563 0 . 3 . . . A 119 PHE CD1 . 34041 1 1424 . 1 1 119 119 PHE CE1 C 13 127.734 0 . 3 . . . A 119 PHE CE1 . 34041 1 1425 . 1 1 119 119 PHE CZ C 13 128.054 0 . 1 . . . A 119 PHE CZ . 34041 1 1426 . 1 1 119 119 PHE N N 15 115.096 0.004 . 1 . . . A 119 PHE N . 34041 1 1427 . 1 1 120 120 SER H H 1 8.603 0.02 . 1 . . . A 120 SER H . 34041 1 1428 . 1 1 120 120 SER HA H 1 4.26 0.015 . 1 . . . A 120 SER HA . 34041 1 1429 . 1 1 120 120 SER HB2 H 1 4.002 0.006 . 1 . . . A 120 SER HB2 . 34041 1 1430 . 1 1 120 120 SER HB3 H 1 4.242 0.005 . 1 . . . A 120 SER HB3 . 34041 1 1431 . 1 1 120 120 SER CA C 13 54.681 0.069 . 1 . . . A 120 SER CA . 34041 1 1432 . 1 1 120 120 SER CB C 13 61.942 0.022 . 1 . . . A 120 SER CB . 34041 1 1433 . 1 1 120 120 SER N N 15 115.627 0.005 . 1 . . . A 120 SER N . 34041 1 1434 . 1 1 121 121 LYS H H 1 8.659 0.001 . 1 . . . A 121 LYS H . 34041 1 1435 . 1 1 121 121 LYS HA H 1 3.82 0.005 . 1 . . . A 121 LYS HA . 34041 1 1436 . 1 1 121 121 LYS HB2 H 1 1.755 0 . 2 . . . A 121 LYS HB2 . 34041 1 1437 . 1 1 121 121 LYS HB3 H 1 1.755 0 . 2 . . . A 121 LYS HB3 . 34041 1 1438 . 1 1 121 121 LYS HG2 H 1 1.367 0.003 . 1 . . . A 121 LYS HG2 . 34041 1 1439 . 1 1 121 121 LYS HG3 H 1 1.456 0.004 . 1 . . . A 121 LYS HG3 . 34041 1 1440 . 1 1 121 121 LYS HD2 H 1 1.602 0 . 2 . . . A 121 LYS HD2 . 34041 1 1441 . 1 1 121 121 LYS HD3 H 1 1.602 0 . 2 . . . A 121 LYS HD3 . 34041 1 1442 . 1 1 121 121 LYS HE2 H 1 2.897 0.006 . 2 . . . A 121 LYS HE2 . 34041 1 1443 . 1 1 121 121 LYS HE3 H 1 2.897 0.006 . 2 . . . A 121 LYS HE3 . 34041 1 1444 . 1 1 121 121 LYS CA C 13 56.717 0 . 1 . . . A 121 LYS CA . 34041 1 1445 . 1 1 121 121 LYS CB C 13 29.361 0.002 . 1 . . . A 121 LYS CB . 34041 1 1446 . 1 1 121 121 LYS CG C 13 22.172 0.052 . 1 . . . A 121 LYS CG . 34041 1 1447 . 1 1 121 121 LYS CD C 13 26.257 0 . 1 . . . A 121 LYS CD . 34041 1 1448 . 1 1 121 121 LYS CE C 13 39.33 0 . 1 . . . A 121 LYS CE . 34041 1 1449 . 1 1 121 121 LYS N N 15 120.846 0.001 . 1 . . . A 121 LYS N . 34041 1 1450 . 1 1 122 122 GLN H H 1 8.266 0 . 1 . . . A 122 GLN H . 34041 1 1451 . 1 1 122 122 GLN HA H 1 3.853 0.009 . 1 . . . A 122 GLN HA . 34041 1 1452 . 1 1 122 122 GLN HB2 H 1 2.035 0.01 . 1 . . . A 122 GLN HB2 . 34041 1 1453 . 1 1 122 122 GLN HB3 H 1 1.829 0.006 . 1 . . . A 122 GLN HB3 . 34041 1 1454 . 1 1 122 122 GLN HG2 H 1 2.247 0 . 1 . . . A 122 GLN HG2 . 34041 1 1455 . 1 1 122 122 GLN HG3 H 1 2.296 0.001 . 1 . . . A 122 GLN HG3 . 34041 1 1456 . 1 1 122 122 GLN HE21 H 1 7.652 0 . 1 . . . A 122 GLN HE21 . 34041 1 1457 . 1 1 122 122 GLN HE22 H 1 6.784 0 . 1 . . . A 122 GLN HE22 . 34041 1 1458 . 1 1 122 122 GLN CA C 13 56.367 0 . 1 . . . A 122 GLN CA . 34041 1 1459 . 1 1 122 122 GLN CB C 13 25.566 0.024 . 1 . . . A 122 GLN CB . 34041 1 1460 . 1 1 122 122 GLN CG C 13 30.906 0.004 . 1 . . . A 122 GLN CG . 34041 1 1461 . 1 1 122 122 GLN N N 15 117.575 0.003 . 1 . . . A 122 GLN N . 34041 1 1462 . 1 1 122 122 GLN NE2 N 15 114.609 0.007 . 1 . . . A 122 GLN NE2 . 34041 1 1463 . 1 1 123 123 VAL H H 1 7.288 0.001 . 1 . . . A 123 VAL H . 34041 1 1464 . 1 1 123 123 VAL HA H 1 3.558 0.009 . 1 . . . A 123 VAL HA . 34041 1 1465 . 1 1 123 123 VAL HB H 1 2.053 0.012 . 1 . . . A 123 VAL HB . 34041 1 1466 . 1 1 123 123 VAL HG11 H 1 0.444 0.008 . 2 . . . A 123 VAL HG11 . 34041 1 1467 . 1 1 123 123 VAL HG12 H 1 0.444 0.008 . 2 . . . A 123 VAL HG12 . 34041 1 1468 . 1 1 123 123 VAL HG13 H 1 0.444 0.008 . 2 . . . A 123 VAL HG13 . 34041 1 1469 . 1 1 123 123 VAL HG21 H 1 0.814 0.006 . 2 . . . A 123 VAL HG21 . 34041 1 1470 . 1 1 123 123 VAL HG22 H 1 0.814 0.006 . 2 . . . A 123 VAL HG22 . 34041 1 1471 . 1 1 123 123 VAL HG23 H 1 0.814 0.006 . 2 . . . A 123 VAL HG23 . 34041 1 1472 . 1 1 123 123 VAL CA C 13 63.856 0.063 . 1 . . . A 123 VAL CA . 34041 1 1473 . 1 1 123 123 VAL CB C 13 29.023 0.074 . 1 . . . A 123 VAL CB . 34041 1 1474 . 1 1 123 123 VAL CG1 C 13 18.78 0.005 . 2 . . . A 123 VAL CG1 . 34041 1 1475 . 1 1 123 123 VAL CG2 C 13 20.483 0.003 . 2 . . . A 123 VAL CG2 . 34041 1 1476 . 1 1 123 123 VAL N N 15 120.886 0.003 . 1 . . . A 123 VAL N . 34041 1 1477 . 1 1 124 124 VAL H H 1 8.245 0.005 . 1 . . . A 124 VAL H . 34041 1 1478 . 1 1 124 124 VAL HA H 1 3.302 0.01 . 1 . . . A 124 VAL HA . 34041 1 1479 . 1 1 124 124 VAL HB H 1 2.025 0.005 . 1 . . . A 124 VAL HB . 34041 1 1480 . 1 1 124 124 VAL HG11 H 1 0.808 0.005 . 2 . . . A 124 VAL HG11 . 34041 1 1481 . 1 1 124 124 VAL HG12 H 1 0.808 0.005 . 2 . . . A 124 VAL HG12 . 34041 1 1482 . 1 1 124 124 VAL HG13 H 1 0.808 0.005 . 2 . . . A 124 VAL HG13 . 34041 1 1483 . 1 1 124 124 VAL HG21 H 1 0.969 0.006 . 2 . . . A 124 VAL HG21 . 34041 1 1484 . 1 1 124 124 VAL HG22 H 1 0.969 0.006 . 2 . . . A 124 VAL HG22 . 34041 1 1485 . 1 1 124 124 VAL HG23 H 1 0.969 0.006 . 2 . . . A 124 VAL HG23 . 34041 1 1486 . 1 1 124 124 VAL CA C 13 65.171 0.062 . 1 . . . A 124 VAL CA . 34041 1 1487 . 1 1 124 124 VAL CB C 13 28.52 0.014 . 1 . . . A 124 VAL CB . 34041 1 1488 . 1 1 124 124 VAL CG1 C 13 18.85 0.074 . 2 . . . A 124 VAL CG1 . 34041 1 1489 . 1 1 124 124 VAL CG2 C 13 21.335 0.033 . 2 . . . A 124 VAL CG2 . 34041 1 1490 . 1 1 124 124 VAL N N 15 119.227 0.032 . 1 . . . A 124 VAL N . 34041 1 1491 . 1 1 125 125 ASN H H 1 8.213 0.001 . 11 . . . A 125 ASN H . 34041 1 1492 . 1 1 125 125 ASN HA H 1 4.329 0.002 . 1 . . . A 125 ASN HA . 34041 1 1493 . 1 1 125 125 ASN HB2 H 1 2.711 0 . 1 . . . A 125 ASN HB2 . 34041 1 1494 . 1 1 125 125 ASN HB3 H 1 2.793 0 . 1 . . . A 125 ASN HB3 . 34041 1 1495 . 1 1 125 125 ASN HD21 H 1 6.772 0.001 . 1 . . . A 125 ASN HD21 . 34041 1 1496 . 1 1 125 125 ASN HD22 H 1 7.502 0 . 1 . . . A 125 ASN HD22 . 34041 1 1497 . 1 1 125 125 ASN CA C 13 53.858 0.051 . 1 . . . A 125 ASN CA . 34041 1 1498 . 1 1 125 125 ASN CB C 13 35.546 0.06 . 1 . . . A 125 ASN CB . 34041 1 1499 . 1 1 125 125 ASN N N 15 118.221 0.006 . 1 . . . A 125 ASN N . 34041 1 1500 . 1 1 125 125 ASN ND2 N 15 111.71 0.004 . 1 . . . A 125 ASN ND2 . 34041 1 1501 . 1 1 126 126 ASP H H 1 8.178 0.003 . 1 . . . A 126 ASP H . 34041 1 1502 . 1 1 126 126 ASP HA H 1 4.264 0.008 . 1 . . . A 126 ASP HA . 34041 1 1503 . 1 1 126 126 ASP HB2 H 1 2.386 0.009 . 1 . . . A 126 ASP HB2 . 34041 1 1504 . 1 1 126 126 ASP HB3 H 1 2.843 0.011 . 1 . . . A 126 ASP HB3 . 34041 1 1505 . 1 1 126 126 ASP CA C 13 54.802 0.021 . 1 . . . A 126 ASP CA . 34041 1 1506 . 1 1 126 126 ASP CB C 13 36.895 0.023 . 1 . . . A 126 ASP CB . 34041 1 1507 . 1 1 126 126 ASP N N 15 121.678 0.025 . 1 . . . A 126 ASP N . 34041 1 1508 . 1 1 127 127 ILE H H 1 8.844 0 . 1 . . . A 127 ILE H . 34041 1 1509 . 1 1 127 127 ILE HA H 1 3.31 0.009 . 1 . . . A 127 ILE HA . 34041 1 1510 . 1 1 127 127 ILE HB H 1 1.98 0.007 . 1 . . . A 127 ILE HB . 34041 1 1511 . 1 1 127 127 ILE HG12 H 1 1.908 0.002 . 1 . . . A 127 ILE HG12 . 34041 1 1512 . 1 1 127 127 ILE HG13 H 1 0.349 0.008 . 1 . . . A 127 ILE HG13 . 34041 1 1513 . 1 1 127 127 ILE HG21 H 1 0.692 0.005 . 1 . . . A 127 ILE HG21 . 34041 1 1514 . 1 1 127 127 ILE HG22 H 1 0.692 0.005 . 1 . . . A 127 ILE HG22 . 34041 1 1515 . 1 1 127 127 ILE HG23 H 1 0.692 0.005 . 1 . . . A 127 ILE HG23 . 34041 1 1516 . 1 1 127 127 ILE HD11 H 1 0.495 0.006 . 1 . . . A 127 ILE HD11 . 34041 1 1517 . 1 1 127 127 ILE HD12 H 1 0.495 0.006 . 1 . . . A 127 ILE HD12 . 34041 1 1518 . 1 1 127 127 ILE HD13 H 1 0.495 0.006 . 1 . . . A 127 ILE HD13 . 34041 1 1519 . 1 1 127 127 ILE CA C 13 63.703 0.027 . 1 . . . A 127 ILE CA . 34041 1 1520 . 1 1 127 127 ILE CB C 13 35.588 0.023 . 1 . . . A 127 ILE CB . 34041 1 1521 . 1 1 127 127 ILE CG1 C 13 25.519 0.066 . 1 . . . A 127 ILE CG1 . 34041 1 1522 . 1 1 127 127 ILE CG2 C 13 15.404 0.005 . 1 . . . A 127 ILE CG2 . 34041 1 1523 . 1 1 127 127 ILE CD1 C 13 11.398 0.006 . 1 . . . A 127 ILE CD1 . 34041 1 1524 . 1 1 127 127 ILE N N 15 123.267 0 . 1 . . . A 127 ILE N . 34041 1 1525 . 1 1 128 128 GLU H H 1 8.612 0.003 . 1 . . . A 128 GLU H . 34041 1 1526 . 1 1 128 128 GLU HA H 1 3.716 0.005 . 1 . . . A 128 GLU HA . 34041 1 1527 . 1 1 128 128 GLU HB2 H 1 1.837 0.017 . 1 . . . A 128 GLU HB2 . 34041 1 1528 . 1 1 128 128 GLU HB3 H 1 2.114 0.006 . 1 . . . A 128 GLU HB3 . 34041 1 1529 . 1 1 128 128 GLU HG2 H 1 1.937 0.004 . 1 . . . A 128 GLU HG2 . 34041 1 1530 . 1 1 128 128 GLU HG3 H 1 2.463 0.004 . 1 . . . A 128 GLU HG3 . 34041 1 1531 . 1 1 128 128 GLU CA C 13 57.998 0.041 . 1 . . . A 128 GLU CA . 34041 1 1532 . 1 1 128 128 GLU CB C 13 26.47 0.04 . 1 . . . A 128 GLU CB . 34041 1 1533 . 1 1 128 128 GLU CG C 13 34.649 0.013 . 1 . . . A 128 GLU CG . 34041 1 1534 . 1 1 128 128 GLU N N 15 118.45 0.011 . 1 . . . A 128 GLU N . 34041 1 1535 . 1 1 129 129 ARG H H 1 8.257 0.003 . 1 . . . A 129 ARG H . 34041 1 1536 . 1 1 129 129 ARG HA H 1 3.954 0.007 . 1 . . . A 129 ARG HA . 34041 1 1537 . 1 1 129 129 ARG HB2 H 1 1.814 0 . 1 . . . A 129 ARG HB2 . 34041 1 1538 . 1 1 129 129 ARG HB3 H 1 1.786 0 . 1 . . . A 129 ARG HB3 . 34041 1 1539 . 1 1 129 129 ARG HG2 H 1 1.505 0 . 2 . . . A 129 ARG HG2 . 34041 1 1540 . 1 1 129 129 ARG HG3 H 1 1.505 0 . 2 . . . A 129 ARG HG3 . 34041 1 1541 . 1 1 129 129 ARG HD2 H 1 3.096 0.006 . 2 . . . A 129 ARG HD2 . 34041 1 1542 . 1 1 129 129 ARG HD3 H 1 3.096 0.006 . 2 . . . A 129 ARG HD3 . 34041 1 1543 . 1 1 129 129 ARG CA C 13 56.617 0.011 . 1 . . . A 129 ARG CA . 34041 1 1544 . 1 1 129 129 ARG CB C 13 27.297 0.028 . 1 . . . A 129 ARG CB . 34041 1 1545 . 1 1 129 129 ARG CG C 13 24.78 0.054 . 1 . . . A 129 ARG CG . 34041 1 1546 . 1 1 129 129 ARG CD C 13 40.518 0.046 . 1 . . . A 129 ARG CD . 34041 1 1547 . 1 1 129 129 ARG N N 15 119.514 0.016 . 1 . . . A 129 ARG N . 34041 1 1548 . 1 1 130 130 SER H H 1 7.925 0.001 . 1 . . . A 130 SER H . 34041 1 1549 . 1 1 130 130 SER HA H 1 4.135 0.009 . 1 . . . A 130 SER HA . 34041 1 1550 . 1 1 130 130 SER HB2 H 1 3.795 0.009 . 1 . . . A 130 SER HB2 . 34041 1 1551 . 1 1 130 130 SER HB3 H 1 3.869 0.003 . 1 . . . A 130 SER HB3 . 34041 1 1552 . 1 1 130 130 SER CA C 13 58.598 0.022 . 1 . . . A 130 SER CA . 34041 1 1553 . 1 1 130 130 SER CB C 13 60.474 0.022 . 1 . . . A 130 SER CB . 34041 1 1554 . 1 1 130 130 SER N N 15 116.342 0.002 . 1 . . . A 130 SER N . 34041 1 1555 . 1 1 131 131 LEU H H 1 8.094 0.003 . 1 . . . A 131 LEU H . 34041 1 1556 . 1 1 131 131 LEU HA H 1 4.038 0.007 . 1 . . . A 131 LEU HA . 34041 1 1557 . 1 1 131 131 LEU HB2 H 1 1.39 0.003 . 1 . . . A 131 LEU HB2 . 34041 1 1558 . 1 1 131 131 LEU HB3 H 1 1.692 0 . 1 . . . A 131 LEU HB3 . 34041 1 1559 . 1 1 131 131 LEU HG H 1 1.735 0.006 . 1 . . . A 131 LEU HG . 34041 1 1560 . 1 1 131 131 LEU HD11 H 1 0.539 0.007 . 2 . . . A 131 LEU HD11 . 34041 1 1561 . 1 1 131 131 LEU HD12 H 1 0.539 0.007 . 2 . . . A 131 LEU HD12 . 34041 1 1562 . 1 1 131 131 LEU HD13 H 1 0.539 0.007 . 2 . . . A 131 LEU HD13 . 34041 1 1563 . 1 1 131 131 LEU HD21 H 1 0.683 0.004 . 2 . . . A 131 LEU HD21 . 34041 1 1564 . 1 1 131 131 LEU HD22 H 1 0.683 0.004 . 2 . . . A 131 LEU HD22 . 34041 1 1565 . 1 1 131 131 LEU HD23 H 1 0.683 0.004 . 2 . . . A 131 LEU HD23 . 34041 1 1566 . 1 1 131 131 LEU CA C 13 54.345 0.039 . 1 . . . A 131 LEU CA . 34041 1 1567 . 1 1 131 131 LEU CB C 13 38.584 0.079 . 1 . . . A 131 LEU CB . 34041 1 1568 . 1 1 131 131 LEU CG C 13 24.209 0.009 . 1 . . . A 131 LEU CG . 34041 1 1569 . 1 1 131 131 LEU CD1 C 13 20.734 0.057 . 2 . . . A 131 LEU CD1 . 34041 1 1570 . 1 1 131 131 LEU CD2 C 13 23.133 0.029 . 2 . . . A 131 LEU CD2 . 34041 1 1571 . 1 1 131 131 LEU N N 15 121.041 0.01 . 1 . . . A 131 LEU N . 34041 1 1572 . 1 1 132 132 ALA H H 1 7.391 0.001 . 1 . . . A 132 ALA H . 34041 1 1573 . 1 1 132 132 ALA HA H 1 4.065 0.008 . 1 . . . A 132 ALA HA . 34041 1 1574 . 1 1 132 132 ALA HB1 H 1 1.324 0.002 . 1 . . . A 132 ALA HB1 . 34041 1 1575 . 1 1 132 132 ALA HB2 H 1 1.324 0.002 . 1 . . . A 132 ALA HB2 . 34041 1 1576 . 1 1 132 132 ALA HB3 H 1 1.324 0.002 . 1 . . . A 132 ALA HB3 . 34041 1 1577 . 1 1 132 132 ALA CA C 13 50.66 0 . 1 . . . A 132 ALA CA . 34041 1 1578 . 1 1 132 132 ALA CB C 13 15.862 0 . 1 . . . A 132 ALA CB . 34041 1 1579 . 1 1 132 132 ALA N N 15 120.558 0.002 . 1 . . . A 132 ALA N . 34041 1 1580 . 1 1 133 133 ALA H H 1 7.552 0 . 1 . . . A 133 ALA H . 34041 1 1581 . 1 1 133 133 ALA HA H 1 4.073 0 . 1 . . . A 133 ALA HA . 34041 1 1582 . 1 1 133 133 ALA HB1 H 1 1.312 0.009 . 1 . . . A 133 ALA HB1 . 34041 1 1583 . 1 1 133 133 ALA HB2 H 1 1.312 0.009 . 1 . . . A 133 ALA HB2 . 34041 1 1584 . 1 1 133 133 ALA HB3 H 1 1.312 0.009 . 1 . . . A 133 ALA HB3 . 34041 1 1585 . 1 1 133 133 ALA CA C 13 50.66 0 . 1 . . . A 133 ALA CA . 34041 1 1586 . 1 1 133 133 ALA CB C 13 15.862 0 . 1 . . . A 133 ALA CB . 34041 1 1587 . 1 1 133 133 ALA N N 15 121.103 0.01 . 1 . . . A 133 ALA N . 34041 1 1588 . 1 1 134 134 ALA H H 1 7.664 0 . 1 . . . A 134 ALA H . 34041 1 1589 . 1 1 134 134 ALA HA H 1 4.128 0.006 . 1 . . . A 134 ALA HA . 34041 1 1590 . 1 1 134 134 ALA HB1 H 1 1.29 0.004 . 1 . . . A 134 ALA HB1 . 34041 1 1591 . 1 1 134 134 ALA HB2 H 1 1.29 0.004 . 1 . . . A 134 ALA HB2 . 34041 1 1592 . 1 1 134 134 ALA HB3 H 1 1.29 0.004 . 1 . . . A 134 ALA HB3 . 34041 1 1593 . 1 1 134 134 ALA CA C 13 50.024 0.023 . 1 . . . A 134 ALA CA . 34041 1 1594 . 1 1 134 134 ALA CB C 13 16.331 0.005 . 1 . . . A 134 ALA CB . 34041 1 1595 . 1 1 134 134 ALA N N 15 120.751 0.004 . 1 . . . A 134 ALA N . 34041 1 1596 . 1 1 135 135 LEU H H 1 7.745 0 . 1 . . . A 135 LEU H . 34041 1 1597 . 1 1 135 135 LEU HA H 1 4.131 0.012 . 1 . . . A 135 LEU HA . 34041 1 1598 . 1 1 135 135 LEU HB2 H 1 1.517 0.002 . 1 . . . A 135 LEU HB2 . 34041 1 1599 . 1 1 135 135 LEU HB3 H 1 1.412 0.004 . 1 . . . A 135 LEU HB3 . 34041 1 1600 . 1 1 135 135 LEU HG H 1 1.518 0.009 . 1 . . . A 135 LEU HG . 34041 1 1601 . 1 1 135 135 LEU HD11 H 1 0.774 0.002 . 2 . . . A 135 LEU HD11 . 34041 1 1602 . 1 1 135 135 LEU HD12 H 1 0.774 0.002 . 2 . . . A 135 LEU HD12 . 34041 1 1603 . 1 1 135 135 LEU HD13 H 1 0.774 0.002 . 2 . . . A 135 LEU HD13 . 34041 1 1604 . 1 1 135 135 LEU HD21 H 1 0.718 0.008 . 2 . . . A 135 LEU HD21 . 34041 1 1605 . 1 1 135 135 LEU HD22 H 1 0.718 0.008 . 2 . . . A 135 LEU HD22 . 34041 1 1606 . 1 1 135 135 LEU HD23 H 1 0.718 0.008 . 2 . . . A 135 LEU HD23 . 34041 1 1607 . 1 1 135 135 LEU CA C 13 52.434 0.015 . 1 . . . A 135 LEU CA . 34041 1 1608 . 1 1 135 135 LEU CB C 13 39.444 0.034 . 1 . . . A 135 LEU CB . 34041 1 1609 . 1 1 135 135 LEU CG C 13 24.172 0 . 1 . . . A 135 LEU CG . 34041 1 1610 . 1 1 135 135 LEU CD1 C 13 22.159 0.025 . 2 . . . A 135 LEU CD1 . 34041 1 1611 . 1 1 135 135 LEU CD2 C 13 20.521 0.026 . 2 . . . A 135 LEU CD2 . 34041 1 1612 . 1 1 135 135 LEU N N 15 119.659 0 . 1 . . . A 135 LEU N . 34041 1 1613 . 1 1 136 136 GLU H H 1 7.957 0 . 1 . . . A 136 GLU H . 34041 1 1614 . 1 1 136 136 GLU N N 15 120.621 0 . 1 . . . A 136 GLU N . 34041 1 stop_ save_