data_34058 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34058 _Entry.Title ; Solution structure of Rtt103 CTD-interacting domain bound to a Ser2Ser7 phosphorylated CTD peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-01 _Entry.Accession_date 2016-11-01 _Entry.Last_release_date 2017-10-05 _Entry.Original_release_date 2017-10-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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. . . . 34058 2 K. Kubicek K. . . . 34058 3 R. Stefl R. . . . 34058 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CTD-interacting domain' . 34058 'RNAPII C-terminal domain' . 34058 phosphorylation . 34058 transcription . 34058 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34058 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 34058 '15N chemical shifts' 147 34058 '1H chemical shifts' 1013 34058 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 . . 2018-02-27 2016-11-01 update BMRB 'update entry citation' 34058 1 . . 2017-10-09 2016-11-01 original author 'original release' 34058 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5M9D 'BMRB Entry Tracking System' 34058 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34058 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1712450114 _Citation.PubMed_ID 29073019 _Citation.Full_citation . _Citation.Title ; Structure and dynamics of the RNAPII CTDsome with Rtt103 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 114 _Citation.Journal_issue 42 _Citation.Journal_ASTM PNASA6 _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0040 _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 11133 _Citation.Page_last 11138 _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. . . . 34058 1 2 T. Klumpler T. . . . 34058 1 3 K. Kubicek K. . . . 34058 1 4 S. Kalynych S. . . . 34058 1 5 P. Plevka P. . . . 34058 1 6 R. Stefl R. . . . 34058 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34058 _Assembly.ID 1 _Assembly.Name ; Regulator of Ty1 transposition protein 103, THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER-PRO-SEP-TYR-SEP-PRO-THR-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 . . . . . . 34058 1 2 entity_2 2 $entity_2 B B no . . . . . . 34058 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34058 _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 . 34058 1 2 . ALA . 34058 1 3 . PHE . 34058 1 4 . SER . 34058 1 5 . SER . 34058 1 6 . GLU . 34058 1 7 . GLN . 34058 1 8 . PHE . 34058 1 9 . THR . 34058 1 10 . THR . 34058 1 11 . LYS . 34058 1 12 . LEU . 34058 1 13 . ASN . 34058 1 14 . THR . 34058 1 15 . LEU . 34058 1 16 . GLU . 34058 1 17 . ASP . 34058 1 18 . SER . 34058 1 19 . GLN . 34058 1 20 . GLU . 34058 1 21 . SER . 34058 1 22 . ILE . 34058 1 23 . SER . 34058 1 24 . SER . 34058 1 25 . ALA . 34058 1 26 . SER . 34058 1 27 . LYS . 34058 1 28 . TRP . 34058 1 29 . LEU . 34058 1 30 . LEU . 34058 1 31 . LEU . 34058 1 32 . GLN . 34058 1 33 . TYR . 34058 1 34 . ARG . 34058 1 35 . ASP . 34058 1 36 . ALA . 34058 1 37 . PRO . 34058 1 38 . LYS . 34058 1 39 . VAL . 34058 1 40 . ALA . 34058 1 41 . GLU . 34058 1 42 . MET . 34058 1 43 . TRP . 34058 1 44 . LYS . 34058 1 45 . GLU . 34058 1 46 . TYR . 34058 1 47 . MET . 34058 1 48 . LEU . 34058 1 49 . ARG . 34058 1 50 . PRO . 34058 1 51 . SER . 34058 1 52 . VAL . 34058 1 53 . ASN . 34058 1 54 . THR . 34058 1 55 . ARG . 34058 1 56 . ARG . 34058 1 57 . LYS . 34058 1 58 . LEU . 34058 1 59 . LEU . 34058 1 60 . GLY . 34058 1 61 . LEU . 34058 1 62 . TYR . 34058 1 63 . LEU . 34058 1 64 . MET . 34058 1 65 . ASN . 34058 1 66 . HIS . 34058 1 67 . VAL . 34058 1 68 . VAL . 34058 1 69 . GLN . 34058 1 70 . GLN . 34058 1 71 . ALA . 34058 1 72 . LYS . 34058 1 73 . GLY . 34058 1 74 . GLN . 34058 1 75 . LYS . 34058 1 76 . ILE . 34058 1 77 . ILE . 34058 1 78 . GLN . 34058 1 79 . PHE . 34058 1 80 . GLN . 34058 1 81 . ASP . 34058 1 82 . SER . 34058 1 83 . PHE . 34058 1 84 . GLY . 34058 1 85 . LYS . 34058 1 86 . VAL . 34058 1 87 . ALA . 34058 1 88 . ALA . 34058 1 89 . GLU . 34058 1 90 . VAL . 34058 1 91 . LEU . 34058 1 92 . GLY . 34058 1 93 . ARG . 34058 1 94 . ILE . 34058 1 95 . ASN . 34058 1 96 . GLN . 34058 1 97 . GLU . 34058 1 98 . PHE . 34058 1 99 . PRO . 34058 1 100 . ARG . 34058 1 101 . ASP . 34058 1 102 . LEU . 34058 1 103 . LYS . 34058 1 104 . LYS . 34058 1 105 . LYS . 34058 1 106 . LEU . 34058 1 107 . SER . 34058 1 108 . ARG . 34058 1 109 . VAL . 34058 1 110 . VAL . 34058 1 111 . ASN . 34058 1 112 . ILE . 34058 1 113 . LEU . 34058 1 114 . LYS . 34058 1 115 . GLU . 34058 1 116 . ARG . 34058 1 117 . ASN . 34058 1 118 . ILE . 34058 1 119 . PHE . 34058 1 120 . SER . 34058 1 121 . LYS . 34058 1 122 . GLN . 34058 1 123 . VAL . 34058 1 124 . VAL . 34058 1 125 . ASN . 34058 1 126 . ASP . 34058 1 127 . ILE . 34058 1 128 . GLU . 34058 1 129 . ARG . 34058 1 130 . SER . 34058 1 131 . LEU . 34058 1 132 . ALA . 34058 1 133 . ALA . 34058 1 134 . ALA . 34058 1 135 . LEU . 34058 1 136 . GLU . 34058 1 137 . HIS . 34058 1 138 . HIS . 34058 1 139 . HIS . 34058 1 140 . HIS . 34058 1 141 . HIS . 34058 1 142 . HIS . 34058 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 34058 1 . ALA 2 2 34058 1 . PHE 3 3 34058 1 . SER 4 4 34058 1 . SER 5 5 34058 1 . GLU 6 6 34058 1 . GLN 7 7 34058 1 . PHE 8 8 34058 1 . THR 9 9 34058 1 . THR 10 10 34058 1 . LYS 11 11 34058 1 . LEU 12 12 34058 1 . ASN 13 13 34058 1 . THR 14 14 34058 1 . LEU 15 15 34058 1 . GLU 16 16 34058 1 . ASP 17 17 34058 1 . SER 18 18 34058 1 . GLN 19 19 34058 1 . GLU 20 20 34058 1 . SER 21 21 34058 1 . ILE 22 22 34058 1 . SER 23 23 34058 1 . SER 24 24 34058 1 . ALA 25 25 34058 1 . SER 26 26 34058 1 . LYS 27 27 34058 1 . TRP 28 28 34058 1 . LEU 29 29 34058 1 . LEU 30 30 34058 1 . LEU 31 31 34058 1 . GLN 32 32 34058 1 . TYR 33 33 34058 1 . ARG 34 34 34058 1 . ASP 35 35 34058 1 . ALA 36 36 34058 1 . PRO 37 37 34058 1 . LYS 38 38 34058 1 . VAL 39 39 34058 1 . ALA 40 40 34058 1 . GLU 41 41 34058 1 . MET 42 42 34058 1 . TRP 43 43 34058 1 . LYS 44 44 34058 1 . GLU 45 45 34058 1 . TYR 46 46 34058 1 . MET 47 47 34058 1 . LEU 48 48 34058 1 . ARG 49 49 34058 1 . PRO 50 50 34058 1 . SER 51 51 34058 1 . VAL 52 52 34058 1 . ASN 53 53 34058 1 . THR 54 54 34058 1 . ARG 55 55 34058 1 . ARG 56 56 34058 1 . LYS 57 57 34058 1 . LEU 58 58 34058 1 . LEU 59 59 34058 1 . GLY 60 60 34058 1 . LEU 61 61 34058 1 . TYR 62 62 34058 1 . LEU 63 63 34058 1 . MET 64 64 34058 1 . ASN 65 65 34058 1 . HIS 66 66 34058 1 . VAL 67 67 34058 1 . VAL 68 68 34058 1 . GLN 69 69 34058 1 . GLN 70 70 34058 1 . ALA 71 71 34058 1 . LYS 72 72 34058 1 . GLY 73 73 34058 1 . GLN 74 74 34058 1 . LYS 75 75 34058 1 . ILE 76 76 34058 1 . ILE 77 77 34058 1 . GLN 78 78 34058 1 . PHE 79 79 34058 1 . GLN 80 80 34058 1 . ASP 81 81 34058 1 . SER 82 82 34058 1 . PHE 83 83 34058 1 . GLY 84 84 34058 1 . LYS 85 85 34058 1 . VAL 86 86 34058 1 . ALA 87 87 34058 1 . ALA 88 88 34058 1 . GLU 89 89 34058 1 . VAL 90 90 34058 1 . LEU 91 91 34058 1 . GLY 92 92 34058 1 . ARG 93 93 34058 1 . ILE 94 94 34058 1 . ASN 95 95 34058 1 . GLN 96 96 34058 1 . GLU 97 97 34058 1 . PHE 98 98 34058 1 . PRO 99 99 34058 1 . ARG 100 100 34058 1 . ASP 101 101 34058 1 . LEU 102 102 34058 1 . LYS 103 103 34058 1 . LYS 104 104 34058 1 . LYS 105 105 34058 1 . LEU 106 106 34058 1 . SER 107 107 34058 1 . ARG 108 108 34058 1 . VAL 109 109 34058 1 . VAL 110 110 34058 1 . ASN 111 111 34058 1 . ILE 112 112 34058 1 . LEU 113 113 34058 1 . LYS 114 114 34058 1 . GLU 115 115 34058 1 . ARG 116 116 34058 1 . ASN 117 117 34058 1 . ILE 118 118 34058 1 . PHE 119 119 34058 1 . SER 120 120 34058 1 . LYS 121 121 34058 1 . GLN 122 122 34058 1 . VAL 123 123 34058 1 . VAL 124 124 34058 1 . ASN 125 125 34058 1 . ASP 126 126 34058 1 . ILE 127 127 34058 1 . GLU 128 128 34058 1 . ARG 129 129 34058 1 . SER 130 130 34058 1 . LEU 131 131 34058 1 . ALA 132 132 34058 1 . ALA 133 133 34058 1 . ALA 134 134 34058 1 . LEU 135 135 34058 1 . GLU 136 136 34058 1 . HIS 137 137 34058 1 . HIS 138 138 34058 1 . HIS 139 139 34058 1 . HIS 140 140 34058 1 . HIS 141 141 34058 1 . HIS 142 142 34058 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34058 _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 ; TSPXYXPTSPXYXPTS ; _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 1965.594 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details P _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 . THR . 34058 2 2 . SER . 34058 2 3 . PRO . 34058 2 4 . SEP . 34058 2 5 . TYR . 34058 2 6 . SEP . 34058 2 7 . PRO . 34058 2 8 . THR . 34058 2 9 . SER . 34058 2 10 . PRO . 34058 2 11 . SEP . 34058 2 12 . TYR . 34058 2 13 . SEP . 34058 2 14 . PRO . 34058 2 15 . THR . 34058 2 16 . SER . 34058 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 . THR 1 1 34058 2 . SER 2 2 34058 2 . PRO 3 3 34058 2 . SEP 4 4 34058 2 . TYR 5 5 34058 2 . SEP 6 6 34058 2 . PRO 7 7 34058 2 . THR 8 8 34058 2 . SER 9 9 34058 2 . PRO 10 10 34058 2 . SEP 11 11 34058 2 . TYR 12 12 34058 2 . SEP 13 13 34058 2 . PRO 14 14 34058 2 . THR 15 15 34058 2 . SER 16 16 34058 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 34058 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 559292 organism . 'Saccharomyces cerevisiae S288c' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . 'RTT103, YDR289C' . 34058 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 34058 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 34058 _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 . . . . . . . . . . 34058 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34058 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 34058 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _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 S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/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 SER _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 PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _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 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 34058 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 34058 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34058 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 34058 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 34058 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 34058 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 34058 SEP 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)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34058 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 34058 SEP 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 . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 34058 SEP CA CA CA CA . C . . S 0 . . . 1 no no . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 34058 SEP CB CB CB CB . C . . N 0 . . . 1 no no . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 34058 SEP OG OG OG OG . O . . N 0 . . . 1 no no . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 34058 SEP C C C C . C . . N 0 . . . 1 no no . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 34058 SEP O O O O . O . . N 0 . . . 1 no no . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 34058 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 34058 SEP P P P P . P . . N 0 . . . 1 no no . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 34058 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 34058 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 34058 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 34058 SEP H H H H . H . . N 0 . . . 1 no no . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 34058 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 34058 SEP HA HA HA HA . H . . N 0 . . . 1 no no . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 34058 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 34058 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 34058 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 34058 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 34058 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 34058 SEP 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 . 34058 SEP 2 . SING N H no N 2 . 34058 SEP 3 . SING N H2 no N 3 . 34058 SEP 4 . SING CA CB no N 4 . 34058 SEP 5 . SING CA C no N 5 . 34058 SEP 6 . SING CA HA no N 6 . 34058 SEP 7 . SING CB OG no N 7 . 34058 SEP 8 . SING CB HB2 no N 8 . 34058 SEP 9 . SING CB HB3 no N 9 . 34058 SEP 10 . SING OG P no N 10 . 34058 SEP 11 . DOUB C O no N 11 . 34058 SEP 12 . SING C OXT no N 12 . 34058 SEP 13 . SING OXT HXT no N 13 . 34058 SEP 14 . DOUB P O1P no N 14 . 34058 SEP 15 . SING P O2P no N 15 . 34058 SEP 16 . SING P O3P no N 16 . 34058 SEP 17 . SING O2P HOP2 no N 17 . 34058 SEP 18 . SING O3P HOP3 no N 18 . 34058 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34058 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-13C; U-15N] CTD-interacting domain of Rtt103p, 1.5 mM THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CTD-interacting domain of Rtt103p' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 34058 1 2 THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER 'natural abundance' . . 2 $entity_2 . . 1.5 . . mM 0.2 . . . 34058 1 3 KH2PO4 'natural abundance' . . . . . . 35 . . mM . . . . 34058 1 4 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 34058 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 34058 _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 34058 1 pH 6.8 . pH 34058 1 pressure 760 . mmHg 34058 1 temperature 298 . K 34058 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34058 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version 16 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34058 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34058 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34058 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34058 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34058 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34058 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34058 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34058 3 'peak picking' 34058 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34058 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34058 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34058 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 34058 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34058 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34058 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34058 _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 . 700 . . . 34058 1 2 NMR_spectrometer_2 Bruker AvanceIII . 850 . . . 34058 1 3 NMR_spectrometer_3 Bruker AvanceIII . 950 . . . 34058 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 34058 _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 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34058 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34058 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34058 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34058 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34058 1 6 'F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34058 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 34058 _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 DMSO 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 34058 1 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 34058 1 N 15 urea nitrogen . . . . ppm 75 na direct 1 . . . . . 34058 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 34058 _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' . . . 34058 1 2 '3D 1H-13C NOESY aliphatic' . . . 34058 1 3 '3D 1H-13C NOESY aromatic' . . . 34058 1 4 '3D CBCA(CO)NH' . . . 34058 1 5 '3D HCCH-TOCSY' . . . 34058 1 6 'F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' . . . 34058 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.016 0.001 . 1 . . . . A 2 ALA HA . 34058 1 2 . 1 1 2 2 ALA HB1 H 1 1.388 0.002 . 1 . . . . A 2 ALA HB1 . 34058 1 3 . 1 1 2 2 ALA HB2 H 1 1.388 0.002 . 1 . . . . A 2 ALA HB2 . 34058 1 4 . 1 1 2 2 ALA HB3 H 1 1.388 0.002 . 1 . . . . A 2 ALA HB3 . 34058 1 5 . 1 1 2 2 ALA CA C 13 48.977 0.022 . 1 . . . . A 2 ALA CA . 34058 1 6 . 1 1 2 2 ALA CB C 13 16.842 0.044 . 1 . . . . A 2 ALA CB . 34058 1 7 . 1 1 3 3 PHE H H 1 7.778 0 . 1 . . . . A 3 PHE H . 34058 1 8 . 1 1 3 3 PHE HA H 1 4.515 0.004 . 1 . . . . A 3 PHE HA . 34058 1 9 . 1 1 3 3 PHE HB2 H 1 2.712 0 . 2 . . . . A 3 PHE HB2 . 34058 1 10 . 1 1 3 3 PHE HB3 H 1 3.025 0 . 2 . . . . A 3 PHE HB3 . 34058 1 11 . 1 1 3 3 PHE HD1 H 1 7 0.004 . 3 . . . . A 3 PHE HD1 . 34058 1 12 . 1 1 3 3 PHE HD2 H 1 7 0.004 . 3 . . . . A 3 PHE HD2 . 34058 1 13 . 1 1 3 3 PHE HE1 H 1 7.003 0 . 3 . . . . A 3 PHE HE1 . 34058 1 14 . 1 1 3 3 PHE HE2 H 1 7.003 0 . 3 . . . . A 3 PHE HE2 . 34058 1 15 . 1 1 3 3 PHE CA C 13 55.361 0 . 1 . . . . A 3 PHE CA . 34058 1 16 . 1 1 3 3 PHE CB C 13 37.475 0.215 . 1 . . . . A 3 PHE CB . 34058 1 17 . 1 1 3 3 PHE CD1 C 13 129.116 0 . 3 . . . . A 3 PHE CD1 . 34058 1 18 . 1 1 3 3 PHE CD2 C 13 129.15 0 . 3 . . . . A 3 PHE CD2 . 34058 1 19 . 1 1 3 3 PHE CE1 C 13 129.116 0 . 3 . . . . A 3 PHE CE1 . 34058 1 20 . 1 1 3 3 PHE CE2 C 13 129.116 0 . 3 . . . . A 3 PHE CE2 . 34058 1 21 . 1 1 3 3 PHE N N 15 120.286 0 . 1 . . . . A 3 PHE N . 34058 1 22 . 1 1 5 5 SER CA C 13 58.85 0.007 . 1 . . . . A 5 SER CA . 34058 1 23 . 1 1 5 5 SER CB C 13 59.771 0 . 1 . . . . A 5 SER CB . 34058 1 24 . 1 1 6 6 GLU H H 1 8.655 0.006 . 1 . . . . A 6 GLU H . 34058 1 25 . 1 1 6 6 GLU HA H 1 3.966 0.001 . 1 . . . . A 6 GLU HA . 34058 1 26 . 1 1 6 6 GLU HB2 H 1 1.827 0.002 . 2 . . . . A 6 GLU HB2 . 34058 1 27 . 1 1 6 6 GLU HB3 H 1 1.916 0.002 . 2 . . . . A 6 GLU HB3 . 34058 1 28 . 1 1 6 6 GLU HG2 H 1 2.175 0.004 . 2 . . . . A 6 GLU HG2 . 34058 1 29 . 1 1 6 6 GLU HG3 H 1 2.175 0.004 . 2 . . . . A 6 GLU HG3 . 34058 1 30 . 1 1 6 6 GLU CA C 13 57.114 0.065 . 1 . . . . A 6 GLU CA . 34058 1 31 . 1 1 6 6 GLU CB C 13 26.217 0 . 1 . . . . A 6 GLU CB . 34058 1 32 . 1 1 6 6 GLU CG C 13 33.478 0.052 . 1 . . . . A 6 GLU CG . 34058 1 33 . 1 1 6 6 GLU N N 15 122.462 0.028 . 1 . . . . A 6 GLU N . 34058 1 34 . 1 1 7 7 GLN H H 1 7.829 0.007 . 1 . . . . A 7 GLN H . 34058 1 35 . 1 1 7 7 GLN HA H 1 3.897 0.005 . 1 . . . . A 7 GLN HA . 34058 1 36 . 1 1 7 7 GLN HB2 H 1 2.098 0.106 . 2 . . . . A 7 GLN HB2 . 34058 1 37 . 1 1 7 7 GLN HB3 H 1 2.134 0.003 . 2 . . . . A 7 GLN HB3 . 34058 1 38 . 1 1 7 7 GLN HG2 H 1 2.193 0.002 . 2 . . . . A 7 GLN HG2 . 34058 1 39 . 1 1 7 7 GLN HG3 H 1 2.353 0.003 . 2 . . . . A 7 GLN HG3 . 34058 1 40 . 1 1 7 7 GLN HE21 H 1 6.85 0 . 2 . . . . A 7 GLN HE21 . 34058 1 41 . 1 1 7 7 GLN HE22 H 1 7.401 0.006 . 2 . . . . A 7 GLN HE22 . 34058 1 42 . 1 1 7 7 GLN CA C 13 55.994 0.014 . 1 . . . . A 7 GLN CA . 34058 1 43 . 1 1 7 7 GLN CB C 13 26.309 0.103 . 1 . . . . A 7 GLN CB . 34058 1 44 . 1 1 7 7 GLN CG C 13 31.743 0.17 . 1 . . . . A 7 GLN CG . 34058 1 45 . 1 1 7 7 GLN N N 15 119.084 0.031 . 1 . . . . A 7 GLN N . 34058 1 46 . 1 1 7 7 GLN NE2 N 15 111.608 0.033 . 1 . . . . A 7 GLN NE2 . 34058 1 47 . 1 1 8 8 PHE H H 1 8.032 0.005 . 1 . . . . A 8 PHE H . 34058 1 48 . 1 1 8 8 PHE HA H 1 4.444 0.002 . 1 . . . . A 8 PHE HA . 34058 1 49 . 1 1 8 8 PHE HB2 H 1 3.393 0.007 . 2 . . . . A 8 PHE HB2 . 34058 1 50 . 1 1 8 8 PHE HB3 H 1 3.423 0.009 . 2 . . . . A 8 PHE HB3 . 34058 1 51 . 1 1 8 8 PHE HD1 H 1 7.466 0.009 . 3 . . . . A 8 PHE HD1 . 34058 1 52 . 1 1 8 8 PHE HD2 H 1 7.466 0.009 . 3 . . . . A 8 PHE HD2 . 34058 1 53 . 1 1 8 8 PHE HE1 H 1 7.354 0.006 . 3 . . . . A 8 PHE HE1 . 34058 1 54 . 1 1 8 8 PHE HE2 H 1 7.354 0.006 . 3 . . . . A 8 PHE HE2 . 34058 1 55 . 1 1 8 8 PHE HZ H 1 7.117 0.003 . 1 . . . . A 8 PHE HZ . 34058 1 56 . 1 1 8 8 PHE CA C 13 56.863 0.051 . 1 . . . . A 8 PHE CA . 34058 1 57 . 1 1 8 8 PHE CB C 13 36.369 0.039 . 1 . . . . A 8 PHE CB . 34058 1 58 . 1 1 8 8 PHE CD1 C 13 128.773 0.063 . 3 . . . . A 8 PHE CD1 . 34058 1 59 . 1 1 8 8 PHE CD2 C 13 128.836 0 . 3 . . . . A 8 PHE CD2 . 34058 1 60 . 1 1 8 8 PHE CE1 C 13 128.442 0.072 . 3 . . . . A 8 PHE CE1 . 34058 1 61 . 1 1 8 8 PHE CE2 C 13 128.514 0 . 3 . . . . A 8 PHE CE2 . 34058 1 62 . 1 1 8 8 PHE CZ C 13 125.853 0.024 . 1 . . . . A 8 PHE CZ . 34058 1 63 . 1 1 8 8 PHE N N 15 119.682 0.041 . 1 . . . . A 8 PHE N . 34058 1 64 . 1 1 9 9 THR H H 1 8.585 0.005 . 1 . . . . A 9 THR H . 34058 1 65 . 1 1 9 9 THR HA H 1 3.384 0.005 . 1 . . . . A 9 THR HA . 34058 1 66 . 1 1 9 9 THR HB H 1 4.175 0.003 . 1 . . . . A 9 THR HB . 34058 1 67 . 1 1 9 9 THR HG21 H 1 1.168 0.005 . 1 . . . . A 9 THR HG21 . 34058 1 68 . 1 1 9 9 THR HG22 H 1 1.168 0.005 . 1 . . . . A 9 THR HG22 . 34058 1 69 . 1 1 9 9 THR HG23 H 1 1.168 0.005 . 1 . . . . A 9 THR HG23 . 34058 1 70 . 1 1 9 9 THR CA C 13 64.718 0.097 . 1 . . . . A 9 THR CA . 34058 1 71 . 1 1 9 9 THR CB C 13 65.684 0.036 . 1 . . . . A 9 THR CB . 34058 1 72 . 1 1 9 9 THR CG2 C 13 19.387 0.121 . 1 . . . . A 9 THR CG2 . 34058 1 73 . 1 1 9 9 THR N N 15 116.001 0.032 . 1 . . . . A 9 THR N . 34058 1 74 . 1 1 10 10 THR H H 1 7.964 0.006 . 1 . . . . A 10 THR H . 34058 1 75 . 1 1 10 10 THR HA H 1 3.761 0.004 . 1 . . . . A 10 THR HA . 34058 1 76 . 1 1 10 10 THR HB H 1 3.991 0.005 . 1 . . . . A 10 THR HB . 34058 1 77 . 1 1 10 10 THR HG21 H 1 0.996 0.005 . 1 . . . . A 10 THR HG21 . 34058 1 78 . 1 1 10 10 THR HG22 H 1 0.996 0.005 . 1 . . . . A 10 THR HG22 . 34058 1 79 . 1 1 10 10 THR HG23 H 1 0.996 0.005 . 1 . . . . A 10 THR HG23 . 34058 1 80 . 1 1 10 10 THR CA C 13 64.172 0.048 . 1 . . . . A 10 THR CA . 34058 1 81 . 1 1 10 10 THR CB C 13 65.644 0.055 . 1 . . . . A 10 THR CB . 34058 1 82 . 1 1 10 10 THR CG2 C 13 18.602 0.221 . 1 . . . . A 10 THR CG2 . 34058 1 83 . 1 1 10 10 THR N N 15 117.309 0.014 . 1 . . . . A 10 THR N . 34058 1 84 . 1 1 11 11 LYS H H 1 7.621 0.004 . 1 . . . . A 11 LYS H . 34058 1 85 . 1 1 11 11 LYS HA H 1 3.583 0.003 . 1 . . . . A 11 LYS HA . 34058 1 86 . 1 1 11 11 LYS HB2 H 1 1.366 0.002 . 2 . . . . A 11 LYS HB2 . 34058 1 87 . 1 1 11 11 LYS HB3 H 1 1.64 0.01 . 2 . . . . A 11 LYS HB3 . 34058 1 88 . 1 1 11 11 LYS HG2 H 1 0.701 0.001 . 2 . . . . A 11 LYS HG2 . 34058 1 89 . 1 1 11 11 LYS HG3 H 1 0.883 0 . 2 . . . . A 11 LYS HG3 . 34058 1 90 . 1 1 11 11 LYS HD2 H 1 0.765 0.01 . 2 . . . . A 11 LYS HD2 . 34058 1 91 . 1 1 11 11 LYS HD3 H 1 0.986 0.002 . 2 . . . . A 11 LYS HD3 . 34058 1 92 . 1 1 11 11 LYS HE2 H 1 1.469 0.013 . 2 . . . . A 11 LYS HE2 . 34058 1 93 . 1 1 11 11 LYS HE3 H 1 1.666 0 . 2 . . . . A 11 LYS HE3 . 34058 1 94 . 1 1 11 11 LYS CA C 13 55.746 0.05 . 1 . . . . A 11 LYS CA . 34058 1 95 . 1 1 11 11 LYS CB C 13 28.132 0.055 . 1 . . . . A 11 LYS CB . 34058 1 96 . 1 1 11 11 LYS CD C 13 25.026 0.051 . 1 . . . . A 11 LYS CD . 34058 1 97 . 1 1 11 11 LYS CE C 13 37.885 0.043 . 1 . . . . A 11 LYS CE . 34058 1 98 . 1 1 11 11 LYS N N 15 121.639 0.018 . 1 . . . . A 11 LYS N . 34058 1 99 . 1 1 12 12 LEU H H 1 7.904 0.006 . 1 . . . . A 12 LEU H . 34058 1 100 . 1 1 12 12 LEU HA H 1 3.462 0.016 . 1 . . . . A 12 LEU HA . 34058 1 101 . 1 1 12 12 LEU HB2 H 1 0.563 0.001 . 2 . . . . A 12 LEU HB2 . 34058 1 102 . 1 1 12 12 LEU HB3 H 1 1.026 0.009 . 2 . . . . A 12 LEU HB3 . 34058 1 103 . 1 1 12 12 LEU HG H 1 0.772 0.002 . 1 . . . . A 12 LEU HG . 34058 1 104 . 1 1 12 12 LEU HD11 H 1 0.231 0.003 . 2 . . . . A 12 LEU HD11 . 34058 1 105 . 1 1 12 12 LEU HD12 H 1 0.231 0.003 . 2 . . . . A 12 LEU HD12 . 34058 1 106 . 1 1 12 12 LEU HD13 H 1 0.231 0.003 . 2 . . . . A 12 LEU HD13 . 34058 1 107 . 1 1 12 12 LEU HD21 H 1 -0.373 0.003 . 2 . . . . A 12 LEU HD21 . 34058 1 108 . 1 1 12 12 LEU HD22 H 1 -0.373 0.003 . 2 . . . . A 12 LEU HD22 . 34058 1 109 . 1 1 12 12 LEU HD23 H 1 -0.373 0.003 . 2 . . . . A 12 LEU HD23 . 34058 1 110 . 1 1 12 12 LEU CA C 13 55.319 0.079 . 1 . . . . A 12 LEU CA . 34058 1 111 . 1 1 12 12 LEU CB C 13 37.499 0.034 . 1 . . . . A 12 LEU CB . 34058 1 112 . 1 1 12 12 LEU CG C 13 24.688 0.045 . 1 . . . . A 12 LEU CG . 34058 1 113 . 1 1 12 12 LEU CD1 C 13 20.195 0.011 . 2 . . . . A 12 LEU CD1 . 34058 1 114 . 1 1 12 12 LEU CD2 C 13 20.648 0.013 . 2 . . . . A 12 LEU CD2 . 34058 1 115 . 1 1 12 12 LEU N N 15 119.98 0.04 . 1 . . . . A 12 LEU N . 34058 1 116 . 1 1 13 13 ASN H H 1 8.012 0.005 . 1 . . . . A 13 ASN H . 34058 1 117 . 1 1 13 13 ASN HA H 1 4.464 0.007 . 1 . . . . A 13 ASN HA . 34058 1 118 . 1 1 13 13 ASN HB2 H 1 2.821 0.005 . 2 . . . . A 13 ASN HB2 . 34058 1 119 . 1 1 13 13 ASN HB3 H 1 2.821 0.005 . 2 . . . . A 13 ASN HB3 . 34058 1 120 . 1 1 13 13 ASN HD21 H 1 6.981 0.011 . 2 . . . . A 13 ASN HD21 . 34058 1 121 . 1 1 13 13 ASN HD22 H 1 7.591 0.003 . 2 . . . . A 13 ASN HD22 . 34058 1 122 . 1 1 13 13 ASN CA C 13 51.627 0.056 . 1 . . . . A 13 ASN CA . 34058 1 123 . 1 1 13 13 ASN CB C 13 35.742 0.01 . 1 . . . . A 13 ASN CB . 34058 1 124 . 1 1 13 13 ASN N N 15 114.455 0.018 . 1 . . . . A 13 ASN N . 34058 1 125 . 1 1 13 13 ASN ND2 N 15 112.959 0.007 . 1 . . . . A 13 ASN ND2 . 34058 1 126 . 1 1 14 14 THR H H 1 7.303 0.007 . 1 . . . . A 14 THR H . 34058 1 127 . 1 1 14 14 THR HA H 1 4.398 0.002 . 1 . . . . A 14 THR HA . 34058 1 128 . 1 1 14 14 THR HB H 1 4.307 0.004 . 1 . . . . A 14 THR HB . 34058 1 129 . 1 1 14 14 THR HG21 H 1 1.081 0.004 . 1 . . . . A 14 THR HG21 . 34058 1 130 . 1 1 14 14 THR HG22 H 1 1.081 0.004 . 1 . . . . A 14 THR HG22 . 34058 1 131 . 1 1 14 14 THR HG23 H 1 1.081 0.004 . 1 . . . . A 14 THR HG23 . 34058 1 132 . 1 1 14 14 THR CA C 13 58.083 0.05 . 1 . . . . A 14 THR CA . 34058 1 133 . 1 1 14 14 THR CB C 13 67.445 0.071 . 1 . . . . A 14 THR CB . 34058 1 134 . 1 1 14 14 THR CG2 C 13 18.042 0 . 1 . . . . A 14 THR CG2 . 34058 1 135 . 1 1 14 14 THR N N 15 106.164 0.033 . 1 . . . . A 14 THR N . 34058 1 136 . 1 1 15 15 LEU H H 1 6.763 0.007 . 1 . . . . A 15 LEU H . 34058 1 137 . 1 1 15 15 LEU HA H 1 3.909 0.001 . 1 . . . . A 15 LEU HA . 34058 1 138 . 1 1 15 15 LEU HB2 H 1 1.168 0.016 . 2 . . . . A 15 LEU HB2 . 34058 1 139 . 1 1 15 15 LEU HB3 H 1 1.603 0.004 . 2 . . . . A 15 LEU HB3 . 34058 1 140 . 1 1 15 15 LEU HG H 1 2.167 0.006 . 1 . . . . A 15 LEU HG . 34058 1 141 . 1 1 15 15 LEU HD11 H 1 0.6 0.006 . 2 . . . . A 15 LEU HD11 . 34058 1 142 . 1 1 15 15 LEU HD12 H 1 0.6 0.006 . 2 . . . . A 15 LEU HD12 . 34058 1 143 . 1 1 15 15 LEU HD13 H 1 0.6 0.006 . 2 . . . . A 15 LEU HD13 . 34058 1 144 . 1 1 15 15 LEU HD21 H 1 0.72 0.004 . 2 . . . . A 15 LEU HD21 . 34058 1 145 . 1 1 15 15 LEU HD22 H 1 0.72 0.004 . 2 . . . . A 15 LEU HD22 . 34058 1 146 . 1 1 15 15 LEU HD23 H 1 0.72 0.004 . 2 . . . . A 15 LEU HD23 . 34058 1 147 . 1 1 15 15 LEU CA C 13 53.21 0.033 . 1 . . . . A 15 LEU CA . 34058 1 148 . 1 1 15 15 LEU CB C 13 40.298 0.065 . 1 . . . . A 15 LEU CB . 34058 1 149 . 1 1 15 15 LEU CG C 13 23 0.014 . 1 . . . . A 15 LEU CG . 34058 1 150 . 1 1 15 15 LEU CD1 C 13 20.41 0.018 . 2 . . . . A 15 LEU CD1 . 34058 1 151 . 1 1 15 15 LEU CD2 C 13 23.634 0.036 . 2 . . . . A 15 LEU CD2 . 34058 1 152 . 1 1 15 15 LEU N N 15 122.41 0.024 . 1 . . . . A 15 LEU N . 34058 1 153 . 1 1 16 16 GLU H H 1 8.636 0.006 . 1 . . . . A 16 GLU H . 34058 1 154 . 1 1 16 16 GLU HA H 1 4.398 0.005 . 1 . . . . A 16 GLU HA . 34058 1 155 . 1 1 16 16 GLU HB2 H 1 1.599 0.001 . 2 . . . . A 16 GLU HB2 . 34058 1 156 . 1 1 16 16 GLU HB3 H 1 1.95 0.007 . 2 . . . . A 16 GLU HB3 . 34058 1 157 . 1 1 16 16 GLU HG2 H 1 2.083 0.002 . 2 . . . . A 16 GLU HG2 . 34058 1 158 . 1 1 16 16 GLU HG3 H 1 2.161 0.008 . 2 . . . . A 16 GLU HG3 . 34058 1 159 . 1 1 16 16 GLU CA C 13 51.252 0.068 . 1 . . . . A 16 GLU CA . 34058 1 160 . 1 1 16 16 GLU CB C 13 30.663 0.08 . 1 . . . . A 16 GLU CB . 34058 1 161 . 1 1 16 16 GLU CG C 13 33.392 0.017 . 1 . . . . A 16 GLU CG . 34058 1 162 . 1 1 16 16 GLU N N 15 120.497 0.064 . 1 . . . . A 16 GLU N . 34058 1 163 . 1 1 17 17 ASP H H 1 8.491 0.001 . 1 . . . . A 17 ASP H . 34058 1 164 . 1 1 17 17 ASP HA H 1 4.506 0.001 . 1 . . . . A 17 ASP HA . 34058 1 165 . 1 1 17 17 ASP HB2 H 1 2.335 0.003 . 2 . . . . A 17 ASP HB2 . 34058 1 166 . 1 1 17 17 ASP HB3 H 1 3.015 0.014 . 2 . . . . A 17 ASP HB3 . 34058 1 167 . 1 1 17 17 ASP CA C 13 49.292 0.038 . 1 . . . . A 17 ASP CA . 34058 1 168 . 1 1 17 17 ASP CB C 13 35.897 0.054 . 1 . . . . A 17 ASP CB . 34058 1 169 . 1 1 17 17 ASP N N 15 118.375 0.026 . 1 . . . . A 17 ASP N . 34058 1 170 . 1 1 18 18 SER H H 1 8.284 0.002 . 1 . . . . A 18 SER H . 34058 1 171 . 1 1 18 18 SER HA H 1 4.842 0.005 . 1 . . . . A 18 SER HA . 34058 1 172 . 1 1 18 18 SER HB2 H 1 3.721 0.016 . 2 . . . . A 18 SER HB2 . 34058 1 173 . 1 1 18 18 SER HB3 H 1 4.009 0.007 . 2 . . . . A 18 SER HB3 . 34058 1 174 . 1 1 18 18 SER CA C 13 53.233 0.051 . 1 . . . . A 18 SER CA . 34058 1 175 . 1 1 18 18 SER CB C 13 63.409 0.079 . 1 . . . . A 18 SER CB . 34058 1 176 . 1 1 18 18 SER N N 15 116.386 0.049 . 1 . . . . A 18 SER N . 34058 1 177 . 1 1 19 19 GLN H H 1 9.044 0.009 . 1 . . . . A 19 GLN H . 34058 1 178 . 1 1 19 19 GLN HA H 1 3.961 0.002 . 1 . . . . A 19 GLN HA . 34058 1 179 . 1 1 19 19 GLN HB2 H 1 1.935 0.008 . 2 . . . . A 19 GLN HB2 . 34058 1 180 . 1 1 19 19 GLN HB3 H 1 2.127 0.007 . 2 . . . . A 19 GLN HB3 . 34058 1 181 . 1 1 19 19 GLN HG2 H 1 2.288 0.005 . 2 . . . . A 19 GLN HG2 . 34058 1 182 . 1 1 19 19 GLN HG3 H 1 2.311 0.003 . 2 . . . . A 19 GLN HG3 . 34058 1 183 . 1 1 19 19 GLN HE21 H 1 7.127 0.003 . 2 . . . . A 19 GLN HE21 . 34058 1 184 . 1 1 19 19 GLN HE22 H 1 7.455 0 . 2 . . . . A 19 GLN HE22 . 34058 1 185 . 1 1 19 19 GLN CA C 13 56.451 0.032 . 1 . . . . A 19 GLN CA . 34058 1 186 . 1 1 19 19 GLN CB C 13 25.142 0.092 . 1 . . . . A 19 GLN CB . 34058 1 187 . 1 1 19 19 GLN CG C 13 30.755 0.061 . 1 . . . . A 19 GLN CG . 34058 1 188 . 1 1 19 19 GLN N N 15 122.59 0.037 . 1 . . . . A 19 GLN N . 34058 1 189 . 1 1 19 19 GLN NE2 N 15 109.719 0.004 . 1 . . . . A 19 GLN NE2 . 34058 1 190 . 1 1 20 20 GLU H H 1 8.916 0.003 . 1 . . . . A 20 GLU H . 34058 1 191 . 1 1 20 20 GLU HA H 1 3.835 0.002 . 1 . . . . A 20 GLU HA . 34058 1 192 . 1 1 20 20 GLU HB2 H 1 1.751 0 . 2 . . . . A 20 GLU HB2 . 34058 1 193 . 1 1 20 20 GLU HB3 H 1 1.913 0.001 . 2 . . . . A 20 GLU HB3 . 34058 1 194 . 1 1 20 20 GLU HG2 H 1 2.135 0.001 . 2 . . . . A 20 GLU HG2 . 34058 1 195 . 1 1 20 20 GLU HG3 H 1 2.158 0 . 2 . . . . A 20 GLU HG3 . 34058 1 196 . 1 1 20 20 GLU CA C 13 56.965 0.075 . 1 . . . . A 20 GLU CA . 34058 1 197 . 1 1 20 20 GLU CB C 13 26.494 0.04 . 1 . . . . A 20 GLU CB . 34058 1 198 . 1 1 20 20 GLU CG C 13 33.246 0.004 . 1 . . . . A 20 GLU CG . 34058 1 199 . 1 1 20 20 GLU N N 15 119.62 0.031 . 1 . . . . A 20 GLU N . 34058 1 200 . 1 1 21 21 SER H H 1 7.789 0.006 . 1 . . . . A 21 SER H . 34058 1 201 . 1 1 21 21 SER HA H 1 3.976 0.008 . 1 . . . . A 21 SER HA . 34058 1 202 . 1 1 21 21 SER HB2 H 1 3.769 0.038 . 2 . . . . A 21 SER HB2 . 34058 1 203 . 1 1 21 21 SER HB3 H 1 3.983 0.001 . 2 . . . . A 21 SER HB3 . 34058 1 204 . 1 1 21 21 SER CA C 13 58.23 0.051 . 1 . . . . A 21 SER CA . 34058 1 205 . 1 1 21 21 SER CB C 13 61.442 0.34 . 1 . . . . A 21 SER CB . 34058 1 206 . 1 1 21 21 SER N N 15 113.875 0.007 . 1 . . . . A 21 SER N . 34058 1 207 . 1 1 22 22 ILE H H 1 7.56 0.007 . 1 . . . . A 22 ILE H . 34058 1 208 . 1 1 22 22 ILE HA H 1 3.526 0.008 . 1 . . . . A 22 ILE HA . 34058 1 209 . 1 1 22 22 ILE HB H 1 1.539 0.003 . 1 . . . . A 22 ILE HB . 34058 1 210 . 1 1 22 22 ILE HG12 H 1 0.742 0.002 . 2 . . . . A 22 ILE HG12 . 34058 1 211 . 1 1 22 22 ILE HG13 H 1 1.855 0.004 . 2 . . . . A 22 ILE HG13 . 34058 1 212 . 1 1 22 22 ILE HG21 H 1 0.094 0.004 . 1 . . . . A 22 ILE HG21 . 34058 1 213 . 1 1 22 22 ILE HG22 H 1 0.094 0.004 . 1 . . . . A 22 ILE HG22 . 34058 1 214 . 1 1 22 22 ILE HG23 H 1 0.094 0.004 . 1 . . . . A 22 ILE HG23 . 34058 1 215 . 1 1 22 22 ILE HD11 H 1 0.641 0.002 . 1 . . . . A 22 ILE HD11 . 34058 1 216 . 1 1 22 22 ILE HD12 H 1 0.641 0.002 . 1 . . . . A 22 ILE HD12 . 34058 1 217 . 1 1 22 22 ILE HD13 H 1 0.641 0.002 . 1 . . . . A 22 ILE HD13 . 34058 1 218 . 1 1 22 22 ILE CA C 13 59.74 0.054 . 1 . . . . A 22 ILE CA . 34058 1 219 . 1 1 22 22 ILE CB C 13 32.741 0.009 . 1 . . . . A 22 ILE CB . 34058 1 220 . 1 1 22 22 ILE CG1 C 13 23.995 0.013 . 1 . . . . A 22 ILE CG1 . 34058 1 221 . 1 1 22 22 ILE CG2 C 13 15.202 0.029 . 1 . . . . A 22 ILE CG2 . 34058 1 222 . 1 1 22 22 ILE CD1 C 13 7.518 0.035 . 1 . . . . A 22 ILE CD1 . 34058 1 223 . 1 1 22 22 ILE N N 15 116.483 0.036 . 1 . . . . A 22 ILE N . 34058 1 224 . 1 1 23 23 SER H H 1 8.151 0.011 . 1 . . . . A 23 SER H . 34058 1 225 . 1 1 23 23 SER HA H 1 3.499 0.004 . 1 . . . . A 23 SER HA . 34058 1 226 . 1 1 23 23 SER HB2 H 1 3.69 0.001 . 2 . . . . A 23 SER HB2 . 34058 1 227 . 1 1 23 23 SER HB3 H 1 3.801 0 . 2 . . . . A 23 SER HB3 . 34058 1 228 . 1 1 23 23 SER CA C 13 59.298 0.061 . 1 . . . . A 23 SER CA . 34058 1 229 . 1 1 23 23 SER CB C 13 60.106 0.088 . 1 . . . . A 23 SER CB . 34058 1 230 . 1 1 23 23 SER N N 15 113.864 0.039 . 1 . . . . A 23 SER N . 34058 1 231 . 1 1 24 24 SER H H 1 7.879 0.005 . 1 . . . . A 24 SER H . 34058 1 232 . 1 1 24 24 SER HA H 1 4.143 0 . 1 . . . . A 24 SER HA . 34058 1 233 . 1 1 24 24 SER HB2 H 1 3.843 0.006 . 2 . . . . A 24 SER HB2 . 34058 1 234 . 1 1 24 24 SER HB3 H 1 3.951 0.004 . 2 . . . . A 24 SER HB3 . 34058 1 235 . 1 1 24 24 SER CA C 13 59.031 0.141 . 1 . . . . A 24 SER CA . 34058 1 236 . 1 1 24 24 SER CB C 13 59.906 0.094 . 1 . . . . A 24 SER CB . 34058 1 237 . 1 1 24 24 SER N N 15 117.698 0.015 . 1 . . . . A 24 SER N . 34058 1 238 . 1 1 25 25 ALA H H 1 7.517 0.01 . 1 . . . . A 25 ALA H . 34058 1 239 . 1 1 25 25 ALA HA H 1 4.179 0.006 . 1 . . . . A 25 ALA HA . 34058 1 240 . 1 1 25 25 ALA HB1 H 1 1.351 0.004 . 1 . . . . A 25 ALA HB1 . 34058 1 241 . 1 1 25 25 ALA HB2 H 1 1.351 0.004 . 1 . . . . A 25 ALA HB2 . 34058 1 242 . 1 1 25 25 ALA HB3 H 1 1.351 0.004 . 1 . . . . A 25 ALA HB3 . 34058 1 243 . 1 1 25 25 ALA CA C 13 52.555 0.02 . 1 . . . . A 25 ALA CA . 34058 1 244 . 1 1 25 25 ALA CB C 13 16.06 0.127 . 1 . . . . A 25 ALA CB . 34058 1 245 . 1 1 25 25 ALA N N 15 124.671 0.005 . 1 . . . . A 25 ALA N . 34058 1 246 . 1 1 26 26 SER H H 1 8.146 0.006 . 1 . . . . A 26 SER H . 34058 1 247 . 1 1 26 26 SER HB2 H 1 3.812 0.006 . 2 . . . . A 26 SER HB2 . 34058 1 248 . 1 1 26 26 SER HB3 H 1 3.884 0.001 . 2 . . . . A 26 SER HB3 . 34058 1 249 . 1 1 26 26 SER CA C 13 58.973 0.003 . 1 . . . . A 26 SER CA . 34058 1 250 . 1 1 26 26 SER CB C 13 60.499 0.145 . 1 . . . . A 26 SER CB . 34058 1 251 . 1 1 26 26 SER N N 15 113.933 0.028 . 1 . . . . A 26 SER N . 34058 1 252 . 1 1 27 27 LYS H H 1 7.881 0.017 . 1 . . . . A 27 LYS H . 34058 1 253 . 1 1 27 27 LYS HA H 1 3.859 0.009 . 1 . . . . A 27 LYS HA . 34058 1 254 . 1 1 27 27 LYS HB2 H 1 1.907 0.006 . 2 . . . . A 27 LYS HB2 . 34058 1 255 . 1 1 27 27 LYS HB3 H 1 1.966 0.002 . 2 . . . . A 27 LYS HB3 . 34058 1 256 . 1 1 27 27 LYS HG2 H 1 1.437 0.007 . 2 . . . . A 27 LYS HG2 . 34058 1 257 . 1 1 27 27 LYS HG3 H 1 1.624 0.009 . 2 . . . . A 27 LYS HG3 . 34058 1 258 . 1 1 27 27 LYS HD2 H 1 1.624 0 . 2 . . . . A 27 LYS HD2 . 34058 1 259 . 1 1 27 27 LYS HD3 H 1 1.624 0 . 2 . . . . A 27 LYS HD3 . 34058 1 260 . 1 1 27 27 LYS HE2 H 1 2.91 0.006 . 2 . . . . A 27 LYS HE2 . 34058 1 261 . 1 1 27 27 LYS HE3 H 1 2.91 0.006 . 2 . . . . A 27 LYS HE3 . 34058 1 262 . 1 1 27 27 LYS CA C 13 57.186 0.107 . 1 . . . . A 27 LYS CA . 34058 1 263 . 1 1 27 27 LYS CB C 13 29.814 0.091 . 1 . . . . A 27 LYS CB . 34058 1 264 . 1 1 27 27 LYS CG C 13 22.62 0.048 . 1 . . . . A 27 LYS CG . 34058 1 265 . 1 1 27 27 LYS CD C 13 26.574 0 . 1 . . . . A 27 LYS CD . 34058 1 266 . 1 1 27 27 LYS CE C 13 39.415 0.046 . 1 . . . . A 27 LYS CE . 34058 1 267 . 1 1 27 27 LYS N N 15 118.699 0.033 . 1 . . . . A 27 LYS N . 34058 1 268 . 1 1 28 28 TRP H H 1 7.337 0.008 . 1 . . . . A 28 TRP H . 34058 1 269 . 1 1 28 28 TRP HA H 1 4.186 0.007 . 1 . . . . A 28 TRP HA . 34058 1 270 . 1 1 28 28 TRP HB2 H 1 3.283 0.005 . 1 . . . . A 28 TRP HB2 . 34058 1 271 . 1 1 28 28 TRP HB3 H 1 3.47 0.003 . 1 . . . . A 28 TRP HB3 . 34058 1 272 . 1 1 28 28 TRP HD1 H 1 7.333 0.001 . 1 . . . . A 28 TRP HD1 . 34058 1 273 . 1 1 28 28 TRP HE1 H 1 10.255 0.001 . 1 . . . . A 28 TRP HE1 . 34058 1 274 . 1 1 28 28 TRP HE3 H 1 7.498 0.005 . 1 . . . . A 28 TRP HE3 . 34058 1 275 . 1 1 28 28 TRP HZ2 H 1 7.41 0.001 . 1 . . . . A 28 TRP HZ2 . 34058 1 276 . 1 1 28 28 TRP HZ3 H 1 6.788 0 . 1 . . . . A 28 TRP HZ3 . 34058 1 277 . 1 1 28 28 TRP HH2 H 1 6.805 0.023 . 1 . . . . A 28 TRP HH2 . 34058 1 278 . 1 1 28 28 TRP CA C 13 58.647 0.039 . 1 . . . . A 28 TRP CA . 34058 1 279 . 1 1 28 28 TRP CB C 13 25.289 0.149 . 1 . . . . A 28 TRP CB . 34058 1 280 . 1 1 28 28 TRP CD1 C 13 125.225 0.036 . 1 . . . . A 28 TRP CD1 . 34058 1 281 . 1 1 28 28 TRP CE3 C 13 117.491 0.003 . 1 . . . . A 28 TRP CE3 . 34058 1 282 . 1 1 28 28 TRP CZ2 C 13 112.381 0.002 . 1 . . . . A 28 TRP CZ2 . 34058 1 283 . 1 1 28 28 TRP CZ3 C 13 120.187 0 . 1 . . . . A 28 TRP CZ3 . 34058 1 284 . 1 1 28 28 TRP CH2 C 13 120.756 0.569 . 1 . . . . A 28 TRP CH2 . 34058 1 285 . 1 1 28 28 TRP N N 15 117.756 0.039 . 1 . . . . A 28 TRP N . 34058 1 286 . 1 1 28 28 TRP NE1 N 15 131.417 0.012 . 1 . . . . A 28 TRP NE1 . 34058 1 287 . 1 1 29 29 LEU H H 1 8.323 0.004 . 1 . . . . A 29 LEU H . 34058 1 288 . 1 1 29 29 LEU HA H 1 3.47 0.003 . 1 . . . . A 29 LEU HA . 34058 1 289 . 1 1 29 29 LEU HB2 H 1 1.313 0.003 . 2 . . . . A 29 LEU HB2 . 34058 1 290 . 1 1 29 29 LEU HB3 H 1 1.814 0.01 . 2 . . . . A 29 LEU HB3 . 34058 1 291 . 1 1 29 29 LEU HG H 1 1.767 0.011 . 1 . . . . A 29 LEU HG . 34058 1 292 . 1 1 29 29 LEU HD11 H 1 0.767 0.003 . 2 . . . . A 29 LEU HD11 . 34058 1 293 . 1 1 29 29 LEU HD12 H 1 0.767 0.003 . 2 . . . . A 29 LEU HD12 . 34058 1 294 . 1 1 29 29 LEU HD13 H 1 0.767 0.003 . 2 . . . . A 29 LEU HD13 . 34058 1 295 . 1 1 29 29 LEU HD21 H 1 0.682 0.007 . 2 . . . . A 29 LEU HD21 . 34058 1 296 . 1 1 29 29 LEU HD22 H 1 0.682 0.007 . 2 . . . . A 29 LEU HD22 . 34058 1 297 . 1 1 29 29 LEU HD23 H 1 0.682 0.007 . 2 . . . . A 29 LEU HD23 . 34058 1 298 . 1 1 29 29 LEU CA C 13 54.667 0.147 . 1 . . . . A 29 LEU CA . 34058 1 299 . 1 1 29 29 LEU CB C 13 39.707 0.09 . 1 . . . . A 29 LEU CB . 34058 1 300 . 1 1 29 29 LEU CG C 13 24.301 0.043 . 1 . . . . A 29 LEU CG . 34058 1 301 . 1 1 29 29 LEU CD1 C 13 22.503 0 . 2 . . . . A 29 LEU CD1 . 34058 1 302 . 1 1 29 29 LEU CD2 C 13 22.235 0 . 2 . . . . A 29 LEU CD2 . 34058 1 303 . 1 1 29 29 LEU N N 15 120.262 0.016 . 1 . . . . A 29 LEU N . 34058 1 304 . 1 1 30 30 LEU H H 1 8.553 0.009 . 1 . . . . A 30 LEU H . 34058 1 305 . 1 1 30 30 LEU HA H 1 3.874 0.003 . 1 . . . . A 30 LEU HA . 34058 1 306 . 1 1 30 30 LEU HB2 H 1 1.393 0.009 . 2 . . . . A 30 LEU HB2 . 34058 1 307 . 1 1 30 30 LEU HB3 H 1 1.73 0.008 . 2 . . . . A 30 LEU HB3 . 34058 1 308 . 1 1 30 30 LEU HG H 1 1.705 0.016 . 1 . . . . A 30 LEU HG . 34058 1 309 . 1 1 30 30 LEU HD11 H 1 0.562 0.003 . 2 . . . . A 30 LEU HD11 . 34058 1 310 . 1 1 30 30 LEU HD12 H 1 0.562 0.003 . 2 . . . . A 30 LEU HD12 . 34058 1 311 . 1 1 30 30 LEU HD13 H 1 0.562 0.003 . 2 . . . . A 30 LEU HD13 . 34058 1 312 . 1 1 30 30 LEU HD21 H 1 0.683 0.007 . 2 . . . . A 30 LEU HD21 . 34058 1 313 . 1 1 30 30 LEU HD22 H 1 0.683 0.007 . 2 . . . . A 30 LEU HD22 . 34058 1 314 . 1 1 30 30 LEU HD23 H 1 0.683 0.007 . 2 . . . . A 30 LEU HD23 . 34058 1 315 . 1 1 30 30 LEU CA C 13 55.179 0.067 . 1 . . . . A 30 LEU CA . 34058 1 316 . 1 1 30 30 LEU CB C 13 39.214 0.038 . 1 . . . . A 30 LEU CB . 34058 1 317 . 1 1 30 30 LEU CG C 13 24.496 0.084 . 1 . . . . A 30 LEU CG . 34058 1 318 . 1 1 30 30 LEU CD1 C 13 20.843 0.131 . 2 . . . . A 30 LEU CD1 . 34058 1 319 . 1 1 30 30 LEU CD2 C 13 22.979 0.139 . 2 . . . . A 30 LEU CD2 . 34058 1 320 . 1 1 30 30 LEU N N 15 119.261 0.041 . 1 . . . . A 30 LEU N . 34058 1 321 . 1 1 31 31 LEU H H 1 6.988 0.007 . 1 . . . . A 31 LEU H . 34058 1 322 . 1 1 31 31 LEU HA H 1 4.238 0.006 . 1 . . . . A 31 LEU HA . 34058 1 323 . 1 1 31 31 LEU HB2 H 1 1.399 0.004 . 2 . . . . A 31 LEU HB2 . 34058 1 324 . 1 1 31 31 LEU HB3 H 1 1.768 0.004 . 2 . . . . A 31 LEU HB3 . 34058 1 325 . 1 1 31 31 LEU HG H 1 1.881 0.007 . 1 . . . . A 31 LEU HG . 34058 1 326 . 1 1 31 31 LEU HD11 H 1 0.862 0.003 . 2 . . . . A 31 LEU HD11 . 34058 1 327 . 1 1 31 31 LEU HD12 H 1 0.862 0.003 . 2 . . . . A 31 LEU HD12 . 34058 1 328 . 1 1 31 31 LEU HD13 H 1 0.862 0.003 . 2 . . . . A 31 LEU HD13 . 34058 1 329 . 1 1 31 31 LEU HD21 H 1 0.892 0.006 . 2 . . . . A 31 LEU HD21 . 34058 1 330 . 1 1 31 31 LEU HD22 H 1 0.892 0.006 . 2 . . . . A 31 LEU HD22 . 34058 1 331 . 1 1 31 31 LEU HD23 H 1 0.892 0.006 . 2 . . . . A 31 LEU HD23 . 34058 1 332 . 1 1 31 31 LEU CA C 13 53.765 0.021 . 1 . . . . A 31 LEU CA . 34058 1 333 . 1 1 31 31 LEU CB C 13 38.971 0.096 . 1 . . . . A 31 LEU CB . 34058 1 334 . 1 1 31 31 LEU CG C 13 23.812 0.078 . 1 . . . . A 31 LEU CG . 34058 1 335 . 1 1 31 31 LEU CD1 C 13 19.653 0.026 . 2 . . . . A 31 LEU CD1 . 34058 1 336 . 1 1 31 31 LEU CD2 C 13 22.843 0.101 . 2 . . . . A 31 LEU CD2 . 34058 1 337 . 1 1 31 31 LEU N N 15 115.405 0.041 . 1 . . . . A 31 LEU N . 34058 1 338 . 1 1 32 32 GLN H H 1 8.106 0.003 . 1 . . . . A 32 GLN H . 34058 1 339 . 1 1 32 32 GLN HA H 1 4.367 0.007 . 1 . . . . A 32 GLN HA . 34058 1 340 . 1 1 32 32 GLN HB2 H 1 1.583 0.006 . 2 . . . . A 32 GLN HB2 . 34058 1 341 . 1 1 32 32 GLN HB3 H 1 2.062 0.004 . 2 . . . . A 32 GLN HB3 . 34058 1 342 . 1 1 32 32 GLN HG2 H 1 1.25 0.002 . 2 . . . . A 32 GLN HG2 . 34058 1 343 . 1 1 32 32 GLN HG3 H 1 1.867 0 . 2 . . . . A 32 GLN HG3 . 34058 1 344 . 1 1 32 32 GLN HE21 H 1 5.553 0.004 . 2 . . . . A 32 GLN HE21 . 34058 1 345 . 1 1 32 32 GLN HE22 H 1 5.81 0.003 . 2 . . . . A 32 GLN HE22 . 34058 1 346 . 1 1 32 32 GLN CA C 13 50.537 0.131 . 1 . . . . A 32 GLN CA . 34058 1 347 . 1 1 32 32 GLN CB C 13 23.142 0.13 . 1 . . . . A 32 GLN CB . 34058 1 348 . 1 1 32 32 GLN CG C 13 28.965 0.037 . 1 . . . . A 32 GLN CG . 34058 1 349 . 1 1 32 32 GLN N N 15 117.793 0.024 . 1 . . . . A 32 GLN N . 34058 1 350 . 1 1 32 32 GLN NE2 N 15 110.268 0.056 . 1 . . . . A 32 GLN NE2 . 34058 1 351 . 1 1 33 33 TYR H H 1 6.779 0.01 . 1 . . . . A 33 TYR H . 34058 1 352 . 1 1 33 33 TYR HA H 1 3.448 0.005 . 1 . . . . A 33 TYR HA . 34058 1 353 . 1 1 33 33 TYR HB2 H 1 2.575 0.005 . 2 . . . . A 33 TYR HB2 . 34058 1 354 . 1 1 33 33 TYR HB3 H 1 3.107 0.006 . 2 . . . . A 33 TYR HB3 . 34058 1 355 . 1 1 33 33 TYR HD1 H 1 6.919 0.001 . 3 . . . . A 33 TYR HD1 . 34058 1 356 . 1 1 33 33 TYR HD2 H 1 6.919 0.001 . 3 . . . . A 33 TYR HD2 . 34058 1 357 . 1 1 33 33 TYR HE1 H 1 6.737 0 . 3 . . . . A 33 TYR HE1 . 34058 1 358 . 1 1 33 33 TYR HE2 H 1 6.737 0 . 3 . . . . A 33 TYR HE2 . 34058 1 359 . 1 1 33 33 TYR CA C 13 57.617 0.063 . 1 . . . . A 33 TYR CA . 34058 1 360 . 1 1 33 33 TYR CB C 13 35.134 0.104 . 1 . . . . A 33 TYR CB . 34058 1 361 . 1 1 33 33 TYR CD1 C 13 130.534 0.03 . 3 . . . . A 33 TYR CD1 . 34058 1 362 . 1 1 33 33 TYR CD2 C 13 130.564 0 . 3 . . . . A 33 TYR CD2 . 34058 1 363 . 1 1 33 33 TYR CE1 C 13 115.67 0.051 . 3 . . . . A 33 TYR CE1 . 34058 1 364 . 1 1 33 33 TYR CE2 C 13 115.641 0 . 3 . . . . A 33 TYR CE2 . 34058 1 365 . 1 1 33 33 TYR N N 15 115.908 0.094 . 1 . . . . A 33 TYR N . 34058 1 366 . 1 1 34 34 ARG H H 1 7.704 0.005 . 1 . . . . A 34 ARG H . 34058 1 367 . 1 1 34 34 ARG HA H 1 3.647 0.01 . 1 . . . . A 34 ARG HA . 34058 1 368 . 1 1 34 34 ARG HB2 H 1 1.103 0.006 . 2 . . . . A 34 ARG HB2 . 34058 1 369 . 1 1 34 34 ARG HB3 H 1 1.521 0.007 . 2 . . . . A 34 ARG HB3 . 34058 1 370 . 1 1 34 34 ARG HG2 H 1 0.848 0.008 . 2 . . . . A 34 ARG HG2 . 34058 1 371 . 1 1 34 34 ARG HG3 H 1 1.092 0.005 . 2 . . . . A 34 ARG HG3 . 34058 1 372 . 1 1 34 34 ARG HD2 H 1 2.803 0.008 . 2 . . . . A 34 ARG HD2 . 34058 1 373 . 1 1 34 34 ARG HD3 H 1 2.927 0.003 . 2 . . . . A 34 ARG HD3 . 34058 1 374 . 1 1 34 34 ARG CA C 13 55.639 0.075 . 1 . . . . A 34 ARG CA . 34058 1 375 . 1 1 34 34 ARG CB C 13 26.503 0.073 . 1 . . . . A 34 ARG CB . 34058 1 376 . 1 1 34 34 ARG CG C 13 25.385 0.113 . 1 . . . . A 34 ARG CG . 34058 1 377 . 1 1 34 34 ARG CD C 13 40.386 0.035 . 1 . . . . A 34 ARG CD . 34058 1 378 . 1 1 34 34 ARG N N 15 121.915 0.069 . 1 . . . . A 34 ARG N . 34058 1 379 . 1 1 35 35 ASP H H 1 7.694 0.005 . 1 . . . . A 35 ASP H . 34058 1 380 . 1 1 35 35 ASP HA H 1 4.861 0.003 . 1 . . . . A 35 ASP HA . 34058 1 381 . 1 1 35 35 ASP HB2 H 1 1.975 0.003 . 2 . . . . A 35 ASP HB2 . 34058 1 382 . 1 1 35 35 ASP HB3 H 1 2.657 0.004 . 2 . . . . A 35 ASP HB3 . 34058 1 383 . 1 1 35 35 ASP CA C 13 50.005 0.028 . 1 . . . . A 35 ASP CA . 34058 1 384 . 1 1 35 35 ASP CB C 13 39.873 0.028 . 1 . . . . A 35 ASP CB . 34058 1 385 . 1 1 35 35 ASP N N 15 117.034 0.033 . 1 . . . . A 35 ASP N . 34058 1 386 . 1 1 36 36 ALA H H 1 6.99 0.009 . 1 . . . . A 36 ALA H . 34058 1 387 . 1 1 36 36 ALA HA H 1 3.423 0.011 . 1 . . . . A 36 ALA HA . 34058 1 388 . 1 1 36 36 ALA HB1 H 1 0.524 0.006 . 1 . . . . A 36 ALA HB1 . 34058 1 389 . 1 1 36 36 ALA HB2 H 1 0.524 0.006 . 1 . . . . A 36 ALA HB2 . 34058 1 390 . 1 1 36 36 ALA HB3 H 1 0.524 0.006 . 1 . . . . A 36 ALA HB3 . 34058 1 391 . 1 1 36 36 ALA CA C 13 54.031 0.035 . 1 . . . . A 36 ALA CA . 34058 1 392 . 1 1 36 36 ALA CB C 13 13.305 0.045 . 1 . . . . A 36 ALA CB . 34058 1 393 . 1 1 36 36 ALA N N 15 121.419 0.039 . 1 . . . . A 36 ALA N . 34058 1 394 . 1 1 37 37 PRO HA H 1 3.953 0.005 . 1 . . . . A 37 PRO HA . 34058 1 395 . 1 1 37 37 PRO HB2 H 1 1.649 0.012 . 2 . . . . A 37 PRO HB2 . 34058 1 396 . 1 1 37 37 PRO HB3 H 1 2.223 0.007 . 2 . . . . A 37 PRO HB3 . 34058 1 397 . 1 1 37 37 PRO HG2 H 1 1.921 0 . 2 . . . . A 37 PRO HG2 . 34058 1 398 . 1 1 37 37 PRO HG3 H 1 1.921 0 . 2 . . . . A 37 PRO HG3 . 34058 1 399 . 1 1 37 37 PRO HD2 H 1 3.357 0.007 . 2 . . . . A 37 PRO HD2 . 34058 1 400 . 1 1 37 37 PRO HD3 H 1 3.357 0.007 . 2 . . . . A 37 PRO HD3 . 34058 1 401 . 1 1 37 37 PRO CA C 13 63.937 0.048 . 1 . . . . A 37 PRO CA . 34058 1 402 . 1 1 37 37 PRO CB C 13 28.315 0.097 . 1 . . . . A 37 PRO CB . 34058 1 403 . 1 1 37 37 PRO CD C 13 47.493 0 . 1 . . . . A 37 PRO CD . 34058 1 404 . 1 1 38 38 LYS H H 1 7.025 0.006 . 1 . . . . A 38 LYS H . 34058 1 405 . 1 1 38 38 LYS HA H 1 3.966 0.007 . 1 . . . . A 38 LYS HA . 34058 1 406 . 1 1 38 38 LYS HB2 H 1 1.659 0.007 . 2 . . . . A 38 LYS HB2 . 34058 1 407 . 1 1 38 38 LYS HB3 H 1 1.659 0.007 . 2 . . . . A 38 LYS HB3 . 34058 1 408 . 1 1 38 38 LYS HG2 H 1 1.294 0.006 . 2 . . . . A 38 LYS HG2 . 34058 1 409 . 1 1 38 38 LYS HG3 H 1 1.33 0.005 . 2 . . . . A 38 LYS HG3 . 34058 1 410 . 1 1 38 38 LYS HD2 H 1 1.542 0.002 . 2 . . . . A 38 LYS HD2 . 34058 1 411 . 1 1 38 38 LYS HD3 H 1 1.542 0.002 . 2 . . . . A 38 LYS HD3 . 34058 1 412 . 1 1 38 38 LYS HE2 H 1 2.813 0.011 . 2 . . . . A 38 LYS HE2 . 34058 1 413 . 1 1 38 38 LYS HE3 H 1 2.813 0.011 . 2 . . . . A 38 LYS HE3 . 34058 1 414 . 1 1 38 38 LYS CA C 13 55.559 0.032 . 1 . . . . A 38 LYS CA . 34058 1 415 . 1 1 38 38 LYS CB C 13 29.471 0.047 . 1 . . . . A 38 LYS CB . 34058 1 416 . 1 1 38 38 LYS CG C 13 22.363 0.104 . 1 . . . . A 38 LYS CG . 34058 1 417 . 1 1 38 38 LYS CD C 13 26.438 0 . 1 . . . . A 38 LYS CD . 34058 1 418 . 1 1 38 38 LYS CE C 13 39.133 0.031 . 1 . . . . A 38 LYS CE . 34058 1 419 . 1 1 38 38 LYS N N 15 118.047 0.041 . 1 . . . . A 38 LYS N . 34058 1 420 . 1 1 39 39 VAL H H 1 7.748 0.006 . 1 . . . . A 39 VAL H . 34058 1 421 . 1 1 39 39 VAL HA H 1 3.15 0.004 . 1 . . . . A 39 VAL HA . 34058 1 422 . 1 1 39 39 VAL HB H 1 2.019 0.005 . 1 . . . . A 39 VAL HB . 34058 1 423 . 1 1 39 39 VAL HG11 H 1 0.4 0.004 . 2 . . . . A 39 VAL HG11 . 34058 1 424 . 1 1 39 39 VAL HG12 H 1 0.4 0.004 . 2 . . . . A 39 VAL HG12 . 34058 1 425 . 1 1 39 39 VAL HG13 H 1 0.4 0.004 . 2 . . . . A 39 VAL HG13 . 34058 1 426 . 1 1 39 39 VAL HG21 H 1 0.788 0.005 . 2 . . . . A 39 VAL HG21 . 34058 1 427 . 1 1 39 39 VAL HG22 H 1 0.788 0.005 . 2 . . . . A 39 VAL HG22 . 34058 1 428 . 1 1 39 39 VAL HG23 H 1 0.788 0.005 . 2 . . . . A 39 VAL HG23 . 34058 1 429 . 1 1 39 39 VAL CA C 13 63.557 0.059 . 1 . . . . A 39 VAL CA . 34058 1 430 . 1 1 39 39 VAL CB C 13 28.483 0.236 . 1 . . . . A 39 VAL CB . 34058 1 431 . 1 1 39 39 VAL CG1 C 13 19.59 0.014 . 2 . . . . A 39 VAL CG1 . 34058 1 432 . 1 1 39 39 VAL CG2 C 13 19.814 0.079 . 2 . . . . A 39 VAL CG2 . 34058 1 433 . 1 1 39 39 VAL N N 15 119.312 0.039 . 1 . . . . A 39 VAL N . 34058 1 434 . 1 1 40 40 ALA H H 1 7.895 0.005 . 1 . . . . A 40 ALA H . 34058 1 435 . 1 1 40 40 ALA HA H 1 3.436 0.003 . 1 . . . . A 40 ALA HA . 34058 1 436 . 1 1 40 40 ALA HB1 H 1 0.671 0.002 . 1 . . . . A 40 ALA HB1 . 34058 1 437 . 1 1 40 40 ALA HB2 H 1 0.671 0.002 . 1 . . . . A 40 ALA HB2 . 34058 1 438 . 1 1 40 40 ALA HB3 H 1 0.671 0.002 . 1 . . . . A 40 ALA HB3 . 34058 1 439 . 1 1 40 40 ALA CA C 13 52.765 0.053 . 1 . . . . A 40 ALA CA . 34058 1 440 . 1 1 40 40 ALA CB C 13 14.863 0.038 . 1 . . . . A 40 ALA CB . 34058 1 441 . 1 1 40 40 ALA N N 15 120.035 0.025 . 1 . . . . A 40 ALA N . 34058 1 442 . 1 1 41 41 GLU H H 1 7.738 0.004 . 1 . . . . A 41 GLU H . 34058 1 443 . 1 1 41 41 GLU HA H 1 3.944 0.005 . 1 . . . . A 41 GLU HA . 34058 1 444 . 1 1 41 41 GLU HB2 H 1 2.028 0.009 . 2 . . . . A 41 GLU HB2 . 34058 1 445 . 1 1 41 41 GLU HB3 H 1 2.028 0.009 . 2 . . . . A 41 GLU HB3 . 34058 1 446 . 1 1 41 41 GLU HG2 H 1 2.188 0.013 . 2 . . . . A 41 GLU HG2 . 34058 1 447 . 1 1 41 41 GLU HG3 H 1 2.188 0.013 . 2 . . . . A 41 GLU HG3 . 34058 1 448 . 1 1 41 41 GLU CA C 13 56.789 0.089 . 1 . . . . A 41 GLU CA . 34058 1 449 . 1 1 41 41 GLU CB C 13 26.826 0.077 . 1 . . . . A 41 GLU CB . 34058 1 450 . 1 1 41 41 GLU CG C 13 33.139 0.071 . 1 . . . . A 41 GLU CG . 34058 1 451 . 1 1 41 41 GLU N N 15 117.929 0.03 . 1 . . . . A 41 GLU N . 34058 1 452 . 1 1 42 42 MET H H 1 8.517 0.016 . 1 . . . . A 42 MET H . 34058 1 453 . 1 1 42 42 MET HA H 1 4.164 0.006 . 1 . . . . A 42 MET HA . 34058 1 454 . 1 1 42 42 MET HB2 H 1 1.899 0.003 . 2 . . . . A 42 MET HB2 . 34058 1 455 . 1 1 42 42 MET HB3 H 1 2.041 0.01 . 2 . . . . A 42 MET HB3 . 34058 1 456 . 1 1 42 42 MET HG2 H 1 2.557 0.003 . 2 . . . . A 42 MET HG2 . 34058 1 457 . 1 1 42 42 MET HG3 H 1 2.765 0.006 . 2 . . . . A 42 MET HG3 . 34058 1 458 . 1 1 42 42 MET HE1 H 1 1.994 0.004 . 1 . . . . A 42 MET HE1 . 34058 1 459 . 1 1 42 42 MET HE2 H 1 1.994 0.004 . 1 . . . . A 42 MET HE2 . 34058 1 460 . 1 1 42 42 MET HE3 H 1 1.994 0.004 . 1 . . . . A 42 MET HE3 . 34058 1 461 . 1 1 42 42 MET CA C 13 56.458 0.039 . 1 . . . . A 42 MET CA . 34058 1 462 . 1 1 42 42 MET CB C 13 30 0.029 . 1 . . . . A 42 MET CB . 34058 1 463 . 1 1 42 42 MET CG C 13 30.41 0.153 . 1 . . . . A 42 MET CG . 34058 1 464 . 1 1 42 42 MET CE C 13 15.016 0 . 1 . . . . A 42 MET CE . 34058 1 465 . 1 1 42 42 MET N N 15 119.3 0.019 . 1 . . . . A 42 MET N . 34058 1 466 . 1 1 43 43 TRP H H 1 9.006 0.007 . 1 . . . . A 43 TRP H . 34058 1 467 . 1 1 43 43 TRP HA H 1 4.078 0.005 . 1 . . . . A 43 TRP HA . 34058 1 468 . 1 1 43 43 TRP HB2 H 1 3.439 0.004 . 2 . . . . A 43 TRP HB2 . 34058 1 469 . 1 1 43 43 TRP HB3 H 1 3.872 0.003 . 2 . . . . A 43 TRP HB3 . 34058 1 470 . 1 1 43 43 TRP HD1 H 1 6.991 0.007 . 1 . . . . A 43 TRP HD1 . 34058 1 471 . 1 1 43 43 TRP HE1 H 1 9.795 0.002 . 1 . . . . A 43 TRP HE1 . 34058 1 472 . 1 1 43 43 TRP HE3 H 1 7.725 0.006 . 1 . . . . A 43 TRP HE3 . 34058 1 473 . 1 1 43 43 TRP HZ2 H 1 7.114 0.002 . 1 . . . . A 43 TRP HZ2 . 34058 1 474 . 1 1 43 43 TRP HH2 H 1 6.839 0.018 . 1 . . . . A 43 TRP HH2 . 34058 1 475 . 1 1 43 43 TRP CA C 13 60.208 0.048 . 1 . . . . A 43 TRP CA . 34058 1 476 . 1 1 43 43 TRP CB C 13 26.196 0.083 . 1 . . . . A 43 TRP CB . 34058 1 477 . 1 1 43 43 TRP CD1 C 13 121.911 0.037 . 1 . . . . A 43 TRP CD1 . 34058 1 478 . 1 1 43 43 TRP CE3 C 13 118.554 0.018 . 1 . . . . A 43 TRP CE3 . 34058 1 479 . 1 1 43 43 TRP CZ2 C 13 111.707 0.005 . 1 . . . . A 43 TRP CZ2 . 34058 1 480 . 1 1 43 43 TRP CH2 C 13 121.35 0.184 . 1 . . . . A 43 TRP CH2 . 34058 1 481 . 1 1 43 43 TRP N N 15 122.58 0.034 . 1 . . . . A 43 TRP N . 34058 1 482 . 1 1 43 43 TRP NE1 N 15 130.115 0.005 . 1 . . . . A 43 TRP NE1 . 34058 1 483 . 1 1 44 44 LYS H H 1 8.62 0.004 . 1 . . . . A 44 LYS H . 34058 1 484 . 1 1 44 44 LYS HA H 1 3.35 0.007 . 1 . . . . A 44 LYS HA . 34058 1 485 . 1 1 44 44 LYS HB2 H 1 1.714 0.002 . 2 . . . . A 44 LYS HB2 . 34058 1 486 . 1 1 44 44 LYS HB3 H 1 2.121 0.012 . 2 . . . . A 44 LYS HB3 . 34058 1 487 . 1 1 44 44 LYS HG2 H 1 1.062 0.008 . 2 . . . . A 44 LYS HG2 . 34058 1 488 . 1 1 44 44 LYS HG3 H 1 1.128 0.01 . 2 . . . . A 44 LYS HG3 . 34058 1 489 . 1 1 44 44 LYS HD2 H 1 1.56 0.008 . 2 . . . . A 44 LYS HD2 . 34058 1 490 . 1 1 44 44 LYS HD3 H 1 1.56 0.008 . 2 . . . . A 44 LYS HD3 . 34058 1 491 . 1 1 44 44 LYS HE2 H 1 2.756 0.021 . 2 . . . . A 44 LYS HE2 . 34058 1 492 . 1 1 44 44 LYS HE3 H 1 2.756 0.021 . 2 . . . . A 44 LYS HE3 . 34058 1 493 . 1 1 44 44 LYS CA C 13 57.28 0.099 . 1 . . . . A 44 LYS CA . 34058 1 494 . 1 1 44 44 LYS CB C 13 29.08 0.039 . 1 . . . . A 44 LYS CB . 34058 1 495 . 1 1 44 44 LYS CD C 13 26.915 0 . 1 . . . . A 44 LYS CD . 34058 1 496 . 1 1 44 44 LYS CE C 13 39.123 0.08 . 1 . . . . A 44 LYS CE . 34058 1 497 . 1 1 44 44 LYS N N 15 119.469 0.016 . 1 . . . . A 44 LYS N . 34058 1 498 . 1 1 45 45 GLU H H 1 7.868 0.006 . 1 . . . . A 45 GLU H . 34058 1 499 . 1 1 45 45 GLU HA H 1 3.659 0.004 . 1 . . . . A 45 GLU HA . 34058 1 500 . 1 1 45 45 GLU HB2 H 1 1.968 0.005 . 2 . . . . A 45 GLU HB2 . 34058 1 501 . 1 1 45 45 GLU HB3 H 1 2.059 0.006 . 2 . . . . A 45 GLU HB3 . 34058 1 502 . 1 1 45 45 GLU HG2 H 1 2.109 0.009 . 2 . . . . A 45 GLU HG2 . 34058 1 503 . 1 1 45 45 GLU HG3 H 1 2.367 0.004 . 2 . . . . A 45 GLU HG3 . 34058 1 504 . 1 1 45 45 GLU CA C 13 57.018 0.051 . 1 . . . . A 45 GLU CA . 34058 1 505 . 1 1 45 45 GLU CB C 13 26.496 0.118 . 1 . . . . A 45 GLU CB . 34058 1 506 . 1 1 45 45 GLU CG C 13 33.651 0.044 . 1 . . . . A 45 GLU CG . 34058 1 507 . 1 1 45 45 GLU N N 15 116.144 0.028 . 1 . . . . A 45 GLU N . 34058 1 508 . 1 1 46 46 TYR H H 1 7.754 0.007 . 1 . . . . A 46 TYR H . 34058 1 509 . 1 1 46 46 TYR HA H 1 3.619 0.013 . 1 . . . . A 46 TYR HA . 34058 1 510 . 1 1 46 46 TYR HB2 H 1 2.865 0.005 . 2 . . . . A 46 TYR HB2 . 34058 1 511 . 1 1 46 46 TYR HB3 H 1 2.865 0.005 . 2 . . . . A 46 TYR HB3 . 34058 1 512 . 1 1 46 46 TYR HD1 H 1 6.589 0.003 . 3 . . . . A 46 TYR HD1 . 34058 1 513 . 1 1 46 46 TYR HD2 H 1 6.589 0.003 . 3 . . . . A 46 TYR HD2 . 34058 1 514 . 1 1 46 46 TYR HE1 H 1 6.366 0.001 . 3 . . . . A 46 TYR HE1 . 34058 1 515 . 1 1 46 46 TYR HE2 H 1 6.366 0.001 . 3 . . . . A 46 TYR HE2 . 34058 1 516 . 1 1 46 46 TYR CA C 13 59.366 0.037 . 1 . . . . A 46 TYR CA . 34058 1 517 . 1 1 46 46 TYR CB C 13 36.528 0.059 . 1 . . . . A 46 TYR CB . 34058 1 518 . 1 1 46 46 TYR CD1 C 13 129.966 0 . 3 . . . . A 46 TYR CD1 . 34058 1 519 . 1 1 46 46 TYR CD2 C 13 129.966 0 . 3 . . . . A 46 TYR CD2 . 34058 1 520 . 1 1 46 46 TYR CE1 C 13 115.211 0 . 3 . . . . A 46 TYR CE1 . 34058 1 521 . 1 1 46 46 TYR CE2 C 13 115.211 0 . 3 . . . . A 46 TYR CE2 . 34058 1 522 . 1 1 46 46 TYR N N 15 119.331 0.045 . 1 . . . . A 46 TYR N . 34058 1 523 . 1 1 47 47 MET H H 1 7.882 0.008 . 1 . . . . A 47 MET H . 34058 1 524 . 1 1 47 47 MET HA H 1 3.719 0.011 . 1 . . . . A 47 MET HA . 34058 1 525 . 1 1 47 47 MET HB2 H 1 0.307 0.012 . 2 . . . . A 47 MET HB2 . 34058 1 526 . 1 1 47 47 MET HB3 H 1 1.834 0 . 2 . . . . A 47 MET HB3 . 34058 1 527 . 1 1 47 47 MET HG2 H 1 1.144 0.003 . 2 . . . . A 47 MET HG2 . 34058 1 528 . 1 1 47 47 MET HG3 H 1 1.369 0.006 . 2 . . . . A 47 MET HG3 . 34058 1 529 . 1 1 47 47 MET HE1 H 1 1.854 0.004 . 1 . . . . A 47 MET HE1 . 34058 1 530 . 1 1 47 47 MET HE2 H 1 1.854 0.004 . 1 . . . . A 47 MET HE2 . 34058 1 531 . 1 1 47 47 MET HE3 H 1 1.854 0.004 . 1 . . . . A 47 MET HE3 . 34058 1 532 . 1 1 47 47 MET CA C 13 52.336 0.026 . 1 . . . . A 47 MET CA . 34058 1 533 . 1 1 47 47 MET CB C 13 28.425 0.029 . 1 . . . . A 47 MET CB . 34058 1 534 . 1 1 47 47 MET CG C 13 28.731 0.077 . 1 . . . . A 47 MET CG . 34058 1 535 . 1 1 47 47 MET CE C 13 14.746 0 . 1 . . . . A 47 MET CE . 34058 1 536 . 1 1 47 47 MET N N 15 112.328 0.041 . 1 . . . . A 47 MET N . 34058 1 537 . 1 1 48 48 LEU H H 1 7.308 0.008 . 1 . . . . A 48 LEU H . 34058 1 538 . 1 1 48 48 LEU HA H 1 4.14 0.006 . 1 . . . . A 48 LEU HA . 34058 1 539 . 1 1 48 48 LEU HB2 H 1 1.431 0.024 . 2 . . . . A 48 LEU HB2 . 34058 1 540 . 1 1 48 48 LEU HB3 H 1 1.536 0.002 . 2 . . . . A 48 LEU HB3 . 34058 1 541 . 1 1 48 48 LEU HG H 1 1.705 0.009 . 1 . . . . A 48 LEU HG . 34058 1 542 . 1 1 48 48 LEU HD11 H 1 0.557 0.008 . 2 . . . . A 48 LEU HD11 . 34058 1 543 . 1 1 48 48 LEU HD12 H 1 0.557 0.008 . 2 . . . . A 48 LEU HD12 . 34058 1 544 . 1 1 48 48 LEU HD13 H 1 0.557 0.008 . 2 . . . . A 48 LEU HD13 . 34058 1 545 . 1 1 48 48 LEU HD21 H 1 0.596 0.007 . 2 . . . . A 48 LEU HD21 . 34058 1 546 . 1 1 48 48 LEU HD22 H 1 0.596 0.007 . 2 . . . . A 48 LEU HD22 . 34058 1 547 . 1 1 48 48 LEU HD23 H 1 0.596 0.007 . 2 . . . . A 48 LEU HD23 . 34058 1 548 . 1 1 48 48 LEU CA C 13 50.911 0.099 . 1 . . . . A 48 LEU CA . 34058 1 549 . 1 1 48 48 LEU CB C 13 38.322 0.063 . 1 . . . . A 48 LEU CB . 34058 1 550 . 1 1 48 48 LEU CG C 13 23.431 0.225 . 1 . . . . A 48 LEU CG . 34058 1 551 . 1 1 48 48 LEU CD1 C 13 20.608 0.089 . 2 . . . . A 48 LEU CD1 . 34058 1 552 . 1 1 48 48 LEU CD2 C 13 23.209 0 . 2 . . . . A 48 LEU CD2 . 34058 1 553 . 1 1 48 48 LEU N N 15 114.435 0.016 . 1 . . . . A 48 LEU N . 34058 1 554 . 1 1 49 49 ARG H H 1 7.252 0.007 . 1 . . . . A 49 ARG H . 34058 1 555 . 1 1 49 49 ARG HA H 1 4.243 0.006 . 1 . . . . A 49 ARG HA . 34058 1 556 . 1 1 49 49 ARG HB2 H 1 1.574 0.006 . 2 . . . . A 49 ARG HB2 . 34058 1 557 . 1 1 49 49 ARG HB3 H 1 1.854 0.01 . 2 . . . . A 49 ARG HB3 . 34058 1 558 . 1 1 49 49 ARG HG2 H 1 1.462 0.039 . 2 . . . . A 49 ARG HG2 . 34058 1 559 . 1 1 49 49 ARG HG3 H 1 1.974 0.013 . 2 . . . . A 49 ARG HG3 . 34058 1 560 . 1 1 49 49 ARG HD2 H 1 2.805 0.008 . 2 . . . . A 49 ARG HD2 . 34058 1 561 . 1 1 49 49 ARG HD3 H 1 2.916 0.007 . 2 . . . . A 49 ARG HD3 . 34058 1 562 . 1 1 49 49 ARG CA C 13 52.855 0.034 . 1 . . . . A 49 ARG CA . 34058 1 563 . 1 1 49 49 ARG CB C 13 27.893 0.052 . 1 . . . . A 49 ARG CB . 34058 1 564 . 1 1 49 49 ARG CG C 13 24.336 0.042 . 1 . . . . A 49 ARG CG . 34058 1 565 . 1 1 49 49 ARG CD C 13 40.88 0.066 . 1 . . . . A 49 ARG CD . 34058 1 566 . 1 1 49 49 ARG N N 15 125.104 0.037 . 1 . . . . A 49 ARG N . 34058 1 567 . 1 1 50 50 PRO HA H 1 4.379 0.003 . 1 . . . . A 50 PRO HA . 34058 1 568 . 1 1 50 50 PRO HB2 H 1 1.834 0.007 . 2 . . . . A 50 PRO HB2 . 34058 1 569 . 1 1 50 50 PRO HB3 H 1 2.187 0.002 . 2 . . . . A 50 PRO HB3 . 34058 1 570 . 1 1 50 50 PRO HG2 H 1 1.885 0.009 . 2 . . . . A 50 PRO HG2 . 34058 1 571 . 1 1 50 50 PRO HG3 H 1 1.93 0.007 . 2 . . . . A 50 PRO HG3 . 34058 1 572 . 1 1 50 50 PRO HD2 H 1 3.74 0.004 . 2 . . . . A 50 PRO HD2 . 34058 1 573 . 1 1 50 50 PRO HD3 H 1 3.985 0.004 . 2 . . . . A 50 PRO HD3 . 34058 1 574 . 1 1 50 50 PRO CA C 13 61.438 0.067 . 1 . . . . A 50 PRO CA . 34058 1 575 . 1 1 50 50 PRO CB C 13 29.023 0.028 . 1 . . . . A 50 PRO CB . 34058 1 576 . 1 1 50 50 PRO CG C 13 24.727 0.026 . 1 . . . . A 50 PRO CG . 34058 1 577 . 1 1 50 50 PRO CD C 13 48.491 0.032 . 1 . . . . A 50 PRO CD . 34058 1 578 . 1 1 51 51 SER H H 1 7.058 0.006 . 1 . . . . A 51 SER H . 34058 1 579 . 1 1 51 51 SER HA H 1 4.127 0.005 . 1 . . . . A 51 SER HA . 34058 1 580 . 1 1 51 51 SER HB2 H 1 3.625 0 . 2 . . . . A 51 SER HB2 . 34058 1 581 . 1 1 51 51 SER HB3 H 1 3.953 0.004 . 2 . . . . A 51 SER HB3 . 34058 1 582 . 1 1 51 51 SER CA C 13 55.117 0.052 . 1 . . . . A 51 SER CA . 34058 1 583 . 1 1 51 51 SER CB C 13 60.085 0.061 . 1 . . . . A 51 SER CB . 34058 1 584 . 1 1 51 51 SER N N 15 107.475 0.025 . 1 . . . . A 51 SER N . 34058 1 585 . 1 1 52 52 VAL H H 1 6.749 0.006 . 1 . . . . A 52 VAL H . 34058 1 586 . 1 1 52 52 VAL HA H 1 3.791 0.004 . 1 . . . . A 52 VAL HA . 34058 1 587 . 1 1 52 52 VAL HB H 1 1.507 0.005 . 1 . . . . A 52 VAL HB . 34058 1 588 . 1 1 52 52 VAL HG11 H 1 0.522 0.002 . 2 . . . . A 52 VAL HG11 . 34058 1 589 . 1 1 52 52 VAL HG12 H 1 0.522 0.002 . 2 . . . . A 52 VAL HG12 . 34058 1 590 . 1 1 52 52 VAL HG13 H 1 0.522 0.002 . 2 . . . . A 52 VAL HG13 . 34058 1 591 . 1 1 52 52 VAL HG21 H 1 0.304 0.004 . 2 . . . . A 52 VAL HG21 . 34058 1 592 . 1 1 52 52 VAL HG22 H 1 0.304 0.004 . 2 . . . . A 52 VAL HG22 . 34058 1 593 . 1 1 52 52 VAL HG23 H 1 0.304 0.004 . 2 . . . . A 52 VAL HG23 . 34058 1 594 . 1 1 52 52 VAL CA C 13 59.462 0.02 . 1 . . . . A 52 VAL CA . 34058 1 595 . 1 1 52 52 VAL CB C 13 29.014 0.06 . 1 . . . . A 52 VAL CB . 34058 1 596 . 1 1 52 52 VAL CG1 C 13 18.507 0.035 . 2 . . . . A 52 VAL CG1 . 34058 1 597 . 1 1 52 52 VAL CG2 C 13 19.258 0.013 . 2 . . . . A 52 VAL CG2 . 34058 1 598 . 1 1 52 52 VAL N N 15 125.244 0.01 . 1 . . . . A 52 VAL N . 34058 1 599 . 1 1 53 53 ASN H H 1 8.323 0.003 . 1 . . . . A 53 ASN H . 34058 1 600 . 1 1 53 53 ASN HA H 1 4.49 0.003 . 1 . . . . A 53 ASN HA . 34058 1 601 . 1 1 53 53 ASN HB2 H 1 2.699 0.002 . 2 . . . . A 53 ASN HB2 . 34058 1 602 . 1 1 53 53 ASN HB3 H 1 3.131 0.005 . 2 . . . . A 53 ASN HB3 . 34058 1 603 . 1 1 53 53 ASN HD21 H 1 6.86 0 . 2 . . . . A 53 ASN HD21 . 34058 1 604 . 1 1 53 53 ASN HD22 H 1 7.61 0 . 2 . . . . A 53 ASN HD22 . 34058 1 605 . 1 1 53 53 ASN CA C 13 50.602 0.044 . 1 . . . . A 53 ASN CA . 34058 1 606 . 1 1 53 53 ASN CB C 13 36.323 0.053 . 1 . . . . A 53 ASN CB . 34058 1 607 . 1 1 53 53 ASN N N 15 125.264 0.012 . 1 . . . . A 53 ASN N . 34058 1 608 . 1 1 53 53 ASN ND2 N 15 113.079 0.014 . 1 . . . . A 53 ASN ND2 . 34058 1 609 . 1 1 54 54 THR H H 1 8.323 0.002 . 1 . . . . A 54 THR H . 34058 1 610 . 1 1 54 54 THR HA H 1 3.686 0.004 . 1 . . . . A 54 THR HA . 34058 1 611 . 1 1 54 54 THR HB H 1 3.9 0 . 1 . . . . A 54 THR HB . 34058 1 612 . 1 1 54 54 THR HG21 H 1 1.342 0.003 . 1 . . . . A 54 THR HG21 . 34058 1 613 . 1 1 54 54 THR HG22 H 1 1.342 0.003 . 1 . . . . A 54 THR HG22 . 34058 1 614 . 1 1 54 54 THR HG23 H 1 1.342 0.003 . 1 . . . . A 54 THR HG23 . 34058 1 615 . 1 1 54 54 THR CA C 13 63.767 0.032 . 1 . . . . A 54 THR CA . 34058 1 616 . 1 1 54 54 THR CB C 13 65.934 0.063 . 1 . . . . A 54 THR CB . 34058 1 617 . 1 1 54 54 THR CG2 C 13 20.886 0.078 . 1 . . . . A 54 THR CG2 . 34058 1 618 . 1 1 54 54 THR N N 15 112.072 0.025 . 1 . . . . A 54 THR N . 34058 1 619 . 1 1 55 55 ARG H H 1 7.939 0.008 . 1 . . . . A 55 ARG H . 34058 1 620 . 1 1 55 55 ARG HA H 1 3.69 0.005 . 1 . . . . A 55 ARG HA . 34058 1 621 . 1 1 55 55 ARG HB2 H 1 1.743 0.005 . 2 . . . . A 55 ARG HB2 . 34058 1 622 . 1 1 55 55 ARG HB3 H 1 1.743 0.005 . 2 . . . . A 55 ARG HB3 . 34058 1 623 . 1 1 55 55 ARG HG2 H 1 1.402 0.013 . 2 . . . . A 55 ARG HG2 . 34058 1 624 . 1 1 55 55 ARG HG3 H 1 1.576 0.013 . 2 . . . . A 55 ARG HG3 . 34058 1 625 . 1 1 55 55 ARG HD2 H 1 3.093 0.006 . 2 . . . . A 55 ARG HD2 . 34058 1 626 . 1 1 55 55 ARG HD3 H 1 3.093 0.006 . 2 . . . . A 55 ARG HD3 . 34058 1 627 . 1 1 55 55 ARG CA C 13 56.856 0.046 . 1 . . . . A 55 ARG CA . 34058 1 628 . 1 1 55 55 ARG CB C 13 26.417 0.121 . 1 . . . . A 55 ARG CB . 34058 1 629 . 1 1 55 55 ARG CG C 13 25.265 0.154 . 1 . . . . A 55 ARG CG . 34058 1 630 . 1 1 55 55 ARG CD C 13 40.322 0.063 . 1 . . . . A 55 ARG CD . 34058 1 631 . 1 1 55 55 ARG N N 15 121.154 0.02 . 1 . . . . A 55 ARG N . 34058 1 632 . 1 1 56 56 ARG H H 1 7.799 0.004 . 1 . . . . A 56 ARG H . 34058 1 633 . 1 1 56 56 ARG HA H 1 3.854 0.004 . 1 . . . . A 56 ARG HA . 34058 1 634 . 1 1 56 56 ARG HB2 H 1 1.917 0 . 2 . . . . A 56 ARG HB2 . 34058 1 635 . 1 1 56 56 ARG HB3 H 1 1.917 0 . 2 . . . . A 56 ARG HB3 . 34058 1 636 . 1 1 56 56 ARG HG2 H 1 1.835 0.012 . 2 . . . . A 56 ARG HG2 . 34058 1 637 . 1 1 56 56 ARG HG3 H 1 1.835 0.012 . 2 . . . . A 56 ARG HG3 . 34058 1 638 . 1 1 56 56 ARG HD2 H 1 3.25 0.009 . 2 . . . . A 56 ARG HD2 . 34058 1 639 . 1 1 56 56 ARG HD3 H 1 3.25 0.009 . 2 . . . . A 56 ARG HD3 . 34058 1 640 . 1 1 56 56 ARG CA C 13 56.716 0.068 . 1 . . . . A 56 ARG CA . 34058 1 641 . 1 1 56 56 ARG CG C 13 25.105 0.052 . 1 . . . . A 56 ARG CG . 34058 1 642 . 1 1 56 56 ARG CD C 13 40.474 0 . 1 . . . . A 56 ARG CD . 34058 1 643 . 1 1 56 56 ARG N N 15 118.246 0.058 . 1 . . . . A 56 ARG N . 34058 1 644 . 1 1 57 57 LYS H H 1 7.842 0.005 . 1 . . . . A 57 LYS H . 34058 1 645 . 1 1 57 57 LYS HA H 1 4.099 0.008 . 1 . . . . A 57 LYS HA . 34058 1 646 . 1 1 57 57 LYS HB2 H 1 1.566 0.003 . 2 . . . . A 57 LYS HB2 . 34058 1 647 . 1 1 57 57 LYS HB3 H 1 2.084 0.004 . 2 . . . . A 57 LYS HB3 . 34058 1 648 . 1 1 57 57 LYS HG2 H 1 1.071 0.009 . 2 . . . . A 57 LYS HG2 . 34058 1 649 . 1 1 57 57 LYS HG3 H 1 1.071 0.009 . 2 . . . . A 57 LYS HG3 . 34058 1 650 . 1 1 57 57 LYS HD2 H 1 1.332 0 . 2 . . . . A 57 LYS HD2 . 34058 1 651 . 1 1 57 57 LYS HD3 H 1 1.332 0 . 2 . . . . A 57 LYS HD3 . 34058 1 652 . 1 1 57 57 LYS HE2 H 1 2.522 0 . 2 . . . . A 57 LYS HE2 . 34058 1 653 . 1 1 57 57 LYS HE3 H 1 2.918 0 . 2 . . . . A 57 LYS HE3 . 34058 1 654 . 1 1 57 57 LYS CA C 13 57.484 0.053 . 1 . . . . A 57 LYS CA . 34058 1 655 . 1 1 57 57 LYS CB C 13 30.282 0.127 . 1 . . . . A 57 LYS CB . 34058 1 656 . 1 1 57 57 LYS CG C 13 25.197 0 . 1 . . . . A 57 LYS CG . 34058 1 657 . 1 1 57 57 LYS CD C 13 27.021 0 . 1 . . . . A 57 LYS CD . 34058 1 658 . 1 1 57 57 LYS CE C 13 40.415 0.058 . 1 . . . . A 57 LYS CE . 34058 1 659 . 1 1 57 57 LYS N N 15 119.423 0.045 . 1 . . . . A 57 LYS N . 34058 1 660 . 1 1 58 58 LEU H H 1 8.058 0.01 . 1 . . . . A 58 LEU H . 34058 1 661 . 1 1 58 58 LEU HA H 1 3.774 0.007 . 1 . . . . A 58 LEU HA . 34058 1 662 . 1 1 58 58 LEU HB2 H 1 1.027 0.002 . 2 . . . . A 58 LEU HB2 . 34058 1 663 . 1 1 58 58 LEU HB3 H 1 1.891 0.008 . 2 . . . . A 58 LEU HB3 . 34058 1 664 . 1 1 58 58 LEU HD11 H 1 0.507 0.013 . 2 . . . . A 58 LEU HD11 . 34058 1 665 . 1 1 58 58 LEU HD12 H 1 0.507 0.013 . 2 . . . . A 58 LEU HD12 . 34058 1 666 . 1 1 58 58 LEU HD13 H 1 0.507 0.013 . 2 . . . . A 58 LEU HD13 . 34058 1 667 . 1 1 58 58 LEU HD21 H 1 0.7 0.009 . 2 . . . . A 58 LEU HD21 . 34058 1 668 . 1 1 58 58 LEU HD22 H 1 0.7 0.009 . 2 . . . . A 58 LEU HD22 . 34058 1 669 . 1 1 58 58 LEU HD23 H 1 0.7 0.009 . 2 . . . . A 58 LEU HD23 . 34058 1 670 . 1 1 58 58 LEU CA C 13 55.683 0.045 . 1 . . . . A 58 LEU CA . 34058 1 671 . 1 1 58 58 LEU CB C 13 37.812 0.092 . 1 . . . . A 58 LEU CB . 34058 1 672 . 1 1 58 58 LEU CD1 C 13 20.072 0.096 . 2 . . . . A 58 LEU CD1 . 34058 1 673 . 1 1 58 58 LEU CD2 C 13 23.2 0.005 . 2 . . . . A 58 LEU CD2 . 34058 1 674 . 1 1 58 58 LEU N N 15 121.545 0.044 . 1 . . . . A 58 LEU N . 34058 1 675 . 1 1 59 59 LEU H H 1 7.471 0.009 . 1 . . . . A 59 LEU H . 34058 1 676 . 1 1 59 59 LEU HA H 1 3.787 0.007 . 1 . . . . A 59 LEU HA . 34058 1 677 . 1 1 59 59 LEU HB2 H 1 1.141 0.013 . 2 . . . . A 59 LEU HB2 . 34058 1 678 . 1 1 59 59 LEU HB3 H 1 1.948 0.007 . 2 . . . . A 59 LEU HB3 . 34058 1 679 . 1 1 59 59 LEU HG H 1 1.877 0.006 . 1 . . . . A 59 LEU HG . 34058 1 680 . 1 1 59 59 LEU HD11 H 1 0.649 0.004 . 2 . . . . A 59 LEU HD11 . 34058 1 681 . 1 1 59 59 LEU HD12 H 1 0.649 0.004 . 2 . . . . A 59 LEU HD12 . 34058 1 682 . 1 1 59 59 LEU HD13 H 1 0.649 0.004 . 2 . . . . A 59 LEU HD13 . 34058 1 683 . 1 1 59 59 LEU HD21 H 1 0.568 0.007 . 2 . . . . A 59 LEU HD21 . 34058 1 684 . 1 1 59 59 LEU HD22 H 1 0.568 0.007 . 2 . . . . A 59 LEU HD22 . 34058 1 685 . 1 1 59 59 LEU HD23 H 1 0.568 0.007 . 2 . . . . A 59 LEU HD23 . 34058 1 686 . 1 1 59 59 LEU CA C 13 55.293 0.023 . 1 . . . . A 59 LEU CA . 34058 1 687 . 1 1 59 59 LEU CB C 13 36.674 0.07 . 1 . . . . A 59 LEU CB . 34058 1 688 . 1 1 59 59 LEU CG C 13 23.848 0.026 . 1 . . . . A 59 LEU CG . 34058 1 689 . 1 1 59 59 LEU CD1 C 13 18.902 0.024 . 2 . . . . A 59 LEU CD1 . 34058 1 690 . 1 1 59 59 LEU CD2 C 13 22.774 0.075 . 2 . . . . A 59 LEU CD2 . 34058 1 691 . 1 1 59 59 LEU N N 15 115.863 0.025 . 1 . . . . A 59 LEU N . 34058 1 692 . 1 1 60 60 GLY H H 1 8.251 0.005 . 1 . . . . A 60 GLY H . 34058 1 693 . 1 1 60 60 GLY HA2 H 1 3.641 0.003 . 2 . . . . A 60 GLY HA2 . 34058 1 694 . 1 1 60 60 GLY HA3 H 1 4.147 0.007 . 2 . . . . A 60 GLY HA3 . 34058 1 695 . 1 1 60 60 GLY CA C 13 44.678 0.026 . 1 . . . . A 60 GLY CA . 34058 1 696 . 1 1 60 60 GLY N N 15 106.42 0.015 . 1 . . . . A 60 GLY N . 34058 1 697 . 1 1 61 61 LEU H H 1 8.501 0.005 . 1 . . . . A 61 LEU H . 34058 1 698 . 1 1 61 61 LEU HA H 1 4.502 0.004 . 1 . . . . A 61 LEU HA . 34058 1 699 . 1 1 61 61 LEU HB2 H 1 1.378 0.005 . 2 . . . . A 61 LEU HB2 . 34058 1 700 . 1 1 61 61 LEU HB3 H 1 2.656 0.006 . 2 . . . . A 61 LEU HB3 . 34058 1 701 . 1 1 61 61 LEU HG H 1 1.674 0.006 . 1 . . . . A 61 LEU HG . 34058 1 702 . 1 1 61 61 LEU HD11 H 1 1.036 0.008 . 2 . . . . A 61 LEU HD11 . 34058 1 703 . 1 1 61 61 LEU HD12 H 1 1.036 0.008 . 2 . . . . A 61 LEU HD12 . 34058 1 704 . 1 1 61 61 LEU HD13 H 1 1.036 0.008 . 2 . . . . A 61 LEU HD13 . 34058 1 705 . 1 1 61 61 LEU HD21 H 1 0.973 0.009 . 2 . . . . A 61 LEU HD21 . 34058 1 706 . 1 1 61 61 LEU HD22 H 1 0.973 0.009 . 2 . . . . A 61 LEU HD22 . 34058 1 707 . 1 1 61 61 LEU HD23 H 1 0.973 0.009 . 2 . . . . A 61 LEU HD23 . 34058 1 708 . 1 1 61 61 LEU CA C 13 55.826 0.05 . 1 . . . . A 61 LEU CA . 34058 1 709 . 1 1 61 61 LEU CB C 13 38.401 0.1 . 1 . . . . A 61 LEU CB . 34058 1 710 . 1 1 61 61 LEU CG C 13 24.835 0 . 1 . . . . A 61 LEU CG . 34058 1 711 . 1 1 61 61 LEU CD1 C 13 21.444 0.03 . 2 . . . . A 61 LEU CD1 . 34058 1 712 . 1 1 61 61 LEU CD2 C 13 23.632 0.063 . 2 . . . . A 61 LEU CD2 . 34058 1 713 . 1 1 61 61 LEU N N 15 127.392 0.018 . 1 . . . . A 61 LEU N . 34058 1 714 . 1 1 62 62 TYR H H 1 8.449 0.009 . 1 . . . . A 62 TYR H . 34058 1 715 . 1 1 62 62 TYR HA H 1 4.337 0.003 . 1 . . . . A 62 TYR HA . 34058 1 716 . 1 1 62 62 TYR HB2 H 1 2.236 0.012 . 2 . . . . A 62 TYR HB2 . 34058 1 717 . 1 1 62 62 TYR HB3 H 1 3.138 0.005 . 2 . . . . A 62 TYR HB3 . 34058 1 718 . 1 1 62 62 TYR HD1 H 1 6.58 0.001 . 3 . . . . A 62 TYR HD1 . 34058 1 719 . 1 1 62 62 TYR HD2 H 1 6.58 0.001 . 3 . . . . A 62 TYR HD2 . 34058 1 720 . 1 1 62 62 TYR HE1 H 1 6.739 0.006 . 3 . . . . A 62 TYR HE1 . 34058 1 721 . 1 1 62 62 TYR HE2 H 1 6.739 0.006 . 3 . . . . A 62 TYR HE2 . 34058 1 722 . 1 1 62 62 TYR CA C 13 54.114 0.045 . 1 . . . . A 62 TYR CA . 34058 1 723 . 1 1 62 62 TYR CB C 13 32.852 0.083 . 1 . . . . A 62 TYR CB . 34058 1 724 . 1 1 62 62 TYR CD1 C 13 127.477 0 . 3 . . . . A 62 TYR CD1 . 34058 1 725 . 1 1 62 62 TYR CD2 C 13 127.452 0 . 3 . . . . A 62 TYR CD2 . 34058 1 726 . 1 1 62 62 TYR CE1 C 13 118.012 0 . 3 . . . . A 62 TYR CE1 . 34058 1 727 . 1 1 62 62 TYR CE2 C 13 118.012 0 . 3 . . . . A 62 TYR CE2 . 34058 1 728 . 1 1 62 62 TYR N N 15 120.944 0.055 . 1 . . . . A 62 TYR N . 34058 1 729 . 1 1 63 63 LEU H H 1 8.493 0.01 . 1 . . . . A 63 LEU H . 34058 1 730 . 1 1 63 63 LEU HA H 1 3.965 0.004 . 1 . . . . A 63 LEU HA . 34058 1 731 . 1 1 63 63 LEU HB2 H 1 1.404 0.013 . 2 . . . . A 63 LEU HB2 . 34058 1 732 . 1 1 63 63 LEU HB3 H 1 2.04 0.005 . 2 . . . . A 63 LEU HB3 . 34058 1 733 . 1 1 63 63 LEU HG H 1 1.358 0.007 . 1 . . . . A 63 LEU HG . 34058 1 734 . 1 1 63 63 LEU HD11 H 1 0.899 0.002 . 2 . . . . A 63 LEU HD11 . 34058 1 735 . 1 1 63 63 LEU HD12 H 1 0.899 0.002 . 2 . . . . A 63 LEU HD12 . 34058 1 736 . 1 1 63 63 LEU HD13 H 1 0.899 0.002 . 2 . . . . A 63 LEU HD13 . 34058 1 737 . 1 1 63 63 LEU HD21 H 1 0.961 0.004 . 2 . . . . A 63 LEU HD21 . 34058 1 738 . 1 1 63 63 LEU HD22 H 1 0.961 0.004 . 2 . . . . A 63 LEU HD22 . 34058 1 739 . 1 1 63 63 LEU HD23 H 1 0.961 0.004 . 2 . . . . A 63 LEU HD23 . 34058 1 740 . 1 1 63 63 LEU CA C 13 55.419 0.037 . 1 . . . . A 63 LEU CA . 34058 1 741 . 1 1 63 63 LEU CB C 13 38.706 0.078 . 1 . . . . A 63 LEU CB . 34058 1 742 . 1 1 63 63 LEU CG C 13 24.517 0 . 1 . . . . A 63 LEU CG . 34058 1 743 . 1 1 63 63 LEU CD1 C 13 21.492 0.027 . 2 . . . . A 63 LEU CD1 . 34058 1 744 . 1 1 63 63 LEU CD2 C 13 23.959 0.008 . 2 . . . . A 63 LEU CD2 . 34058 1 745 . 1 1 63 63 LEU N N 15 118.625 0.073 . 1 . . . . A 63 LEU N . 34058 1 746 . 1 1 64 64 MET H H 1 7.341 0.004 . 1 . . . . A 64 MET H . 34058 1 747 . 1 1 64 64 MET HA H 1 2.711 0.003 . 1 . . . . A 64 MET HA . 34058 1 748 . 1 1 64 64 MET HB2 H 1 0.685 0.006 . 2 . . . . A 64 MET HB2 . 34058 1 749 . 1 1 64 64 MET HB3 H 1 0.863 0.016 . 2 . . . . A 64 MET HB3 . 34058 1 750 . 1 1 64 64 MET HG2 H 1 1.054 0.011 . 2 . . . . A 64 MET HG2 . 34058 1 751 . 1 1 64 64 MET HG3 H 1 2.003 0.004 . 2 . . . . A 64 MET HG3 . 34058 1 752 . 1 1 64 64 MET HE1 H 1 1.822 0.001 . 1 . . . . A 64 MET HE1 . 34058 1 753 . 1 1 64 64 MET HE2 H 1 1.822 0.001 . 1 . . . . A 64 MET HE2 . 34058 1 754 . 1 1 64 64 MET HE3 H 1 1.822 0.001 . 1 . . . . A 64 MET HE3 . 34058 1 755 . 1 1 64 64 MET CA C 13 57.352 0.012 . 1 . . . . A 64 MET CA . 34058 1 756 . 1 1 64 64 MET CB C 13 28.628 0.059 . 1 . . . . A 64 MET CB . 34058 1 757 . 1 1 64 64 MET CG C 13 28.184 0.117 . 1 . . . . A 64 MET CG . 34058 1 758 . 1 1 64 64 MET CE C 13 14.131 0 . 1 . . . . A 64 MET CE . 34058 1 759 . 1 1 64 64 MET N N 15 117.675 0.038 . 1 . . . . A 64 MET N . 34058 1 760 . 1 1 65 65 ASN H H 1 8.288 0.004 . 1 . . . . A 65 ASN H . 34058 1 761 . 1 1 65 65 ASN HA H 1 3.881 0.002 . 1 . . . . A 65 ASN HA . 34058 1 762 . 1 1 65 65 ASN HB2 H 1 2.453 0.001 . 2 . . . . A 65 ASN HB2 . 34058 1 763 . 1 1 65 65 ASN HB3 H 1 3.324 0.006 . 2 . . . . A 65 ASN HB3 . 34058 1 764 . 1 1 65 65 ASN CA C 13 54.541 0.033 . 1 . . . . A 65 ASN CA . 34058 1 765 . 1 1 65 65 ASN CB C 13 38.038 0.033 . 1 . . . . A 65 ASN CB . 34058 1 766 . 1 1 65 65 ASN N N 15 115.304 0.023 . 1 . . . . A 65 ASN N . 34058 1 767 . 1 1 66 66 HIS H H 1 8.461 0.007 . 1 . . . . A 66 HIS H . 34058 1 768 . 1 1 66 66 HIS HA H 1 3.495 0.004 . 1 . . . . A 66 HIS HA . 34058 1 769 . 1 1 66 66 HIS HB2 H 1 3.015 0.006 . 2 . . . . A 66 HIS HB2 . 34058 1 770 . 1 1 66 66 HIS HB3 H 1 3.086 0.007 . 2 . . . . A 66 HIS HB3 . 34058 1 771 . 1 1 66 66 HIS HE1 H 1 7.762 0 . 1 . . . . A 66 HIS HE1 . 34058 1 772 . 1 1 66 66 HIS CA C 13 58.726 0.084 . 1 . . . . A 66 HIS CA . 34058 1 773 . 1 1 66 66 HIS CB C 13 28.719 0.071 . 1 . . . . A 66 HIS CB . 34058 1 774 . 1 1 66 66 HIS CE1 C 13 135.205 0 . 1 . . . . A 66 HIS CE1 . 34058 1 775 . 1 1 66 66 HIS N N 15 120.215 0.052 . 1 . . . . A 66 HIS N . 34058 1 776 . 1 1 67 67 VAL H H 1 8.172 0.006 . 1 . . . . A 67 VAL H . 34058 1 777 . 1 1 67 67 VAL HA H 1 3.5 0.013 . 1 . . . . A 67 VAL HA . 34058 1 778 . 1 1 67 67 VAL HB H 1 1.595 0.003 . 1 . . . . A 67 VAL HB . 34058 1 779 . 1 1 67 67 VAL HG11 H 1 0.089 0.003 . 2 . . . . A 67 VAL HG11 . 34058 1 780 . 1 1 67 67 VAL HG12 H 1 0.089 0.003 . 2 . . . . A 67 VAL HG12 . 34058 1 781 . 1 1 67 67 VAL HG13 H 1 0.089 0.003 . 2 . . . . A 67 VAL HG13 . 34058 1 782 . 1 1 67 67 VAL HG21 H 1 0.723 0.006 . 2 . . . . A 67 VAL HG21 . 34058 1 783 . 1 1 67 67 VAL HG22 H 1 0.723 0.006 . 2 . . . . A 67 VAL HG22 . 34058 1 784 . 1 1 67 67 VAL HG23 H 1 0.723 0.006 . 2 . . . . A 67 VAL HG23 . 34058 1 785 . 1 1 67 67 VAL CA C 13 62.997 0.05 . 1 . . . . A 67 VAL CA . 34058 1 786 . 1 1 67 67 VAL CB C 13 28.573 0.163 . 1 . . . . A 67 VAL CB . 34058 1 787 . 1 1 67 67 VAL CG1 C 13 18.014 0.009 . 2 . . . . A 67 VAL CG1 . 34058 1 788 . 1 1 67 67 VAL CG2 C 13 21.535 0.003 . 2 . . . . A 67 VAL CG2 . 34058 1 789 . 1 1 67 67 VAL N N 15 115.991 0.021 . 1 . . . . A 67 VAL N . 34058 1 790 . 1 1 68 68 VAL H H 1 8.253 0.004 . 1 . . . . A 68 VAL H . 34058 1 791 . 1 1 68 68 VAL HA H 1 3.575 0.014 . 1 . . . . A 68 VAL HA . 34058 1 792 . 1 1 68 68 VAL HB H 1 1.593 0.003 . 1 . . . . A 68 VAL HB . 34058 1 793 . 1 1 68 68 VAL HG11 H 1 0.707 0.002 . 2 . . . . A 68 VAL HG11 . 34058 1 794 . 1 1 68 68 VAL HG12 H 1 0.707 0.002 . 2 . . . . A 68 VAL HG12 . 34058 1 795 . 1 1 68 68 VAL HG13 H 1 0.707 0.002 . 2 . . . . A 68 VAL HG13 . 34058 1 796 . 1 1 68 68 VAL HG21 H 1 0.64 0.025 . 2 . . . . A 68 VAL HG21 . 34058 1 797 . 1 1 68 68 VAL HG22 H 1 0.64 0.025 . 2 . . . . A 68 VAL HG22 . 34058 1 798 . 1 1 68 68 VAL HG23 H 1 0.64 0.025 . 2 . . . . A 68 VAL HG23 . 34058 1 799 . 1 1 68 68 VAL CA C 13 63.212 0.061 . 1 . . . . A 68 VAL CA . 34058 1 800 . 1 1 68 68 VAL CB C 13 27.914 0.045 . 1 . . . . A 68 VAL CB . 34058 1 801 . 1 1 68 68 VAL CG1 C 13 18.163 0.039 . 2 . . . . A 68 VAL CG1 . 34058 1 802 . 1 1 68 68 VAL CG2 C 13 20.384 0.013 . 2 . . . . A 68 VAL CG2 . 34058 1 803 . 1 1 68 68 VAL N N 15 113.374 0.042 . 1 . . . . A 68 VAL N . 34058 1 804 . 1 1 69 69 GLN H H 1 7.289 0.006 . 1 . . . . A 69 GLN H . 34058 1 805 . 1 1 69 69 GLN HA H 1 3.793 0.011 . 1 . . . . A 69 GLN HA . 34058 1 806 . 1 1 69 69 GLN HB2 H 1 1.609 0.002 . 2 . . . . A 69 GLN HB2 . 34058 1 807 . 1 1 69 69 GLN HB3 H 1 2.03 0.006 . 2 . . . . A 69 GLN HB3 . 34058 1 808 . 1 1 69 69 GLN HG2 H 1 1.381 0.005 . 2 . . . . A 69 GLN HG2 . 34058 1 809 . 1 1 69 69 GLN HG3 H 1 2.754 0.004 . 2 . . . . A 69 GLN HG3 . 34058 1 810 . 1 1 69 69 GLN HE21 H 1 5.372 0 . 2 . . . . A 69 GLN HE21 . 34058 1 811 . 1 1 69 69 GLN HE22 H 1 7.872 0 . 2 . . . . A 69 GLN HE22 . 34058 1 812 . 1 1 69 69 GLN CA C 13 58.722 0.065 . 1 . . . . A 69 GLN CA . 34058 1 813 . 1 1 69 69 GLN CB C 13 26.115 0 . 1 . . . . A 69 GLN CB . 34058 1 814 . 1 1 69 69 GLN CG C 13 32.735 0.027 . 1 . . . . A 69 GLN CG . 34058 1 815 . 1 1 69 69 GLN N N 15 119.206 0.035 . 1 . . . . A 69 GLN N . 34058 1 816 . 1 1 69 69 GLN NE2 N 15 110.594 0.009 . 1 . . . . A 69 GLN NE2 . 34058 1 817 . 1 1 70 70 GLN H H 1 8.408 0.005 . 1 . . . . A 70 GLN H . 34058 1 818 . 1 1 70 70 GLN HA H 1 4.036 0.006 . 1 . . . . A 70 GLN HA . 34058 1 819 . 1 1 70 70 GLN HB2 H 1 1.648 0.01 . 2 . . . . A 70 GLN HB2 . 34058 1 820 . 1 1 70 70 GLN HB3 H 1 2.03 0.004 . 2 . . . . A 70 GLN HB3 . 34058 1 821 . 1 1 70 70 GLN HG2 H 1 2.05 0.006 . 2 . . . . A 70 GLN HG2 . 34058 1 822 . 1 1 70 70 GLN HG3 H 1 2.431 0.007 . 2 . . . . A 70 GLN HG3 . 34058 1 823 . 1 1 70 70 GLN HE21 H 1 6.54 0.003 . 2 . . . . A 70 GLN HE21 . 34058 1 824 . 1 1 70 70 GLN HE22 H 1 8.113 0.004 . 2 . . . . A 70 GLN HE22 . 34058 1 825 . 1 1 70 70 GLN CA C 13 56.869 0 . 1 . . . . A 70 GLN CA . 34058 1 826 . 1 1 70 70 GLN CB C 13 26.535 0 . 1 . . . . A 70 GLN CB . 34058 1 827 . 1 1 70 70 GLN CG C 13 32.658 0.135 . 1 . . . . A 70 GLN CG . 34058 1 828 . 1 1 70 70 GLN N N 15 119.099 0.02 . 1 . . . . A 70 GLN N . 34058 1 829 . 1 1 70 70 GLN NE2 N 15 113.275 0.028 . 1 . . . . A 70 GLN NE2 . 34058 1 830 . 1 1 71 71 ALA H H 1 8.914 0.008 . 1 . . . . A 71 ALA H . 34058 1 831 . 1 1 71 71 ALA HA H 1 3.753 0.006 . 1 . . . . A 71 ALA HA . 34058 1 832 . 1 1 71 71 ALA HB1 H 1 1.599 0.002 . 1 . . . . A 71 ALA HB1 . 34058 1 833 . 1 1 71 71 ALA HB2 H 1 1.599 0.002 . 1 . . . . A 71 ALA HB2 . 34058 1 834 . 1 1 71 71 ALA HB3 H 1 1.599 0.002 . 1 . . . . A 71 ALA HB3 . 34058 1 835 . 1 1 71 71 ALA CA C 13 52.838 0.01 . 1 . . . . A 71 ALA CA . 34058 1 836 . 1 1 71 71 ALA CB C 13 15.781 0.004 . 1 . . . . A 71 ALA CB . 34058 1 837 . 1 1 71 71 ALA N N 15 120.848 0 . 1 . . . . A 71 ALA N . 34058 1 838 . 1 1 72 72 LYS H H 1 7.474 0.007 . 1 . . . . A 72 LYS H . 34058 1 839 . 1 1 72 72 LYS HA H 1 3.95 0.008 . 1 . . . . A 72 LYS HA . 34058 1 840 . 1 1 72 72 LYS HB2 H 1 1.758 0.004 . 2 . . . . A 72 LYS HB2 . 34058 1 841 . 1 1 72 72 LYS HB3 H 1 1.758 0.004 . 2 . . . . A 72 LYS HB3 . 34058 1 842 . 1 1 72 72 LYS HG2 H 1 1.356 0.006 . 2 . . . . A 72 LYS HG2 . 34058 1 843 . 1 1 72 72 LYS HG3 H 1 1.356 0.006 . 2 . . . . A 72 LYS HG3 . 34058 1 844 . 1 1 72 72 LYS HD2 H 1 1.591 0.007 . 2 . . . . A 72 LYS HD2 . 34058 1 845 . 1 1 72 72 LYS HD3 H 1 1.591 0.007 . 2 . . . . A 72 LYS HD3 . 34058 1 846 . 1 1 72 72 LYS HE2 H 1 2.986 0.005 . 2 . . . . A 72 LYS HE2 . 34058 1 847 . 1 1 72 72 LYS HE3 H 1 2.986 0.005 . 2 . . . . A 72 LYS HE3 . 34058 1 848 . 1 1 72 72 LYS CA C 13 56.839 0.121 . 1 . . . . A 72 LYS CA . 34058 1 849 . 1 1 72 72 LYS CB C 13 29.26 0.109 . 1 . . . . A 72 LYS CB . 34058 1 850 . 1 1 72 72 LYS CG C 13 22.695 0 . 1 . . . . A 72 LYS CG . 34058 1 851 . 1 1 72 72 LYS CD C 13 27.581 0 . 1 . . . . A 72 LYS CD . 34058 1 852 . 1 1 72 72 LYS CE C 13 39.709 0 . 1 . . . . A 72 LYS CE . 34058 1 853 . 1 1 72 72 LYS N N 15 118.839 0.034 . 1 . . . . A 72 LYS N . 34058 1 854 . 1 1 73 73 GLY H H 1 7.745 0.01 . 1 . . . . A 73 GLY H . 34058 1 855 . 1 1 73 73 GLY HA2 H 1 3.597 0.009 . 2 . . . . A 73 GLY HA2 . 34058 1 856 . 1 1 73 73 GLY HA3 H 1 3.903 0.003 . 2 . . . . A 73 GLY HA3 . 34058 1 857 . 1 1 73 73 GLY CA C 13 44.452 0.027 . 1 . . . . A 73 GLY CA . 34058 1 858 . 1 1 73 73 GLY N N 15 107.144 0.065 . 1 . . . . A 73 GLY N . 34058 1 859 . 1 1 74 74 GLN H H 1 7.767 0.007 . 1 . . . . A 74 GLN H . 34058 1 860 . 1 1 74 74 GLN HA H 1 4.174 0.004 . 1 . . . . A 74 GLN HA . 34058 1 861 . 1 1 74 74 GLN HB2 H 1 1.572 0.009 . 2 . . . . A 74 GLN HB2 . 34058 1 862 . 1 1 74 74 GLN HB3 H 1 2.29 0.005 . 2 . . . . A 74 GLN HB3 . 34058 1 863 . 1 1 74 74 GLN HG2 H 1 2.268 0.038 . 2 . . . . A 74 GLN HG2 . 34058 1 864 . 1 1 74 74 GLN HG3 H 1 2.361 0.004 . 2 . . . . A 74 GLN HG3 . 34058 1 865 . 1 1 74 74 GLN HE21 H 1 6.557 0 . 2 . . . . A 74 GLN HE21 . 34058 1 866 . 1 1 74 74 GLN HE22 H 1 7.483 0 . 2 . . . . A 74 GLN HE22 . 34058 1 867 . 1 1 74 74 GLN CA C 13 52.789 0.02 . 1 . . . . A 74 GLN CA . 34058 1 868 . 1 1 74 74 GLN CB C 13 26.585 0.035 . 1 . . . . A 74 GLN CB . 34058 1 869 . 1 1 74 74 GLN CG C 13 31.607 0.081 . 1 . . . . A 74 GLN CG . 34058 1 870 . 1 1 74 74 GLN N N 15 116.933 0.034 . 1 . . . . A 74 GLN N . 34058 1 871 . 1 1 74 74 GLN NE2 N 15 111.648 0.002 . 1 . . . . A 74 GLN NE2 . 34058 1 872 . 1 1 75 75 LYS H H 1 7.668 0.006 . 1 . . . . A 75 LYS H . 34058 1 873 . 1 1 75 75 LYS HA H 1 3.826 0.002 . 1 . . . . A 75 LYS HA . 34058 1 874 . 1 1 75 75 LYS HB2 H 1 1.822 0.01 . 2 . . . . A 75 LYS HB2 . 34058 1 875 . 1 1 75 75 LYS HB3 H 1 2.04 0.001 . 2 . . . . A 75 LYS HB3 . 34058 1 876 . 1 1 75 75 LYS HG2 H 1 1.24 0.003 . 2 . . . . A 75 LYS HG2 . 34058 1 877 . 1 1 75 75 LYS HG3 H 1 1.24 0.003 . 2 . . . . A 75 LYS HG3 . 34058 1 878 . 1 1 75 75 LYS HD2 H 1 1.608 0.018 . 2 . . . . A 75 LYS HD2 . 34058 1 879 . 1 1 75 75 LYS HD3 H 1 1.608 0.018 . 2 . . . . A 75 LYS HD3 . 34058 1 880 . 1 1 75 75 LYS HE2 H 1 2.899 0.005 . 2 . . . . A 75 LYS HE2 . 34058 1 881 . 1 1 75 75 LYS HE3 H 1 2.899 0.005 . 2 . . . . A 75 LYS HE3 . 34058 1 882 . 1 1 75 75 LYS CA C 13 54.737 0.043 . 1 . . . . A 75 LYS CA . 34058 1 883 . 1 1 75 75 LYS CG C 13 22.369 0.031 . 1 . . . . A 75 LYS CG . 34058 1 884 . 1 1 75 75 LYS CD C 13 26.502 0.114 . 1 . . . . A 75 LYS CD . 34058 1 885 . 1 1 75 75 LYS CE C 13 39.576 0.008 . 1 . . . . A 75 LYS CE . 34058 1 886 . 1 1 75 75 LYS N N 15 115.908 0.052 . 1 . . . . A 75 LYS N . 34058 1 887 . 1 1 76 76 ILE H H 1 8.593 0.006 . 1 . . . . A 76 ILE H . 34058 1 888 . 1 1 76 76 ILE HA H 1 4.262 0.007 . 1 . . . . A 76 ILE HA . 34058 1 889 . 1 1 76 76 ILE HB H 1 1.791 0.004 . 1 . . . . A 76 ILE HB . 34058 1 890 . 1 1 76 76 ILE HG12 H 1 1.379 0.006 . 2 . . . . A 76 ILE HG12 . 34058 1 891 . 1 1 76 76 ILE HG13 H 1 1.379 0.006 . 2 . . . . A 76 ILE HG13 . 34058 1 892 . 1 1 76 76 ILE HG21 H 1 0.965 0.003 . 1 . . . . A 76 ILE HG21 . 34058 1 893 . 1 1 76 76 ILE HG22 H 1 0.965 0.003 . 1 . . . . A 76 ILE HG22 . 34058 1 894 . 1 1 76 76 ILE HG23 H 1 0.965 0.003 . 1 . . . . A 76 ILE HG23 . 34058 1 895 . 1 1 76 76 ILE HD11 H 1 0.699 0.004 . 1 . . . . A 76 ILE HD11 . 34058 1 896 . 1 1 76 76 ILE HD12 H 1 0.699 0.004 . 1 . . . . A 76 ILE HD12 . 34058 1 897 . 1 1 76 76 ILE HD13 H 1 0.699 0.004 . 1 . . . . A 76 ILE HD13 . 34058 1 898 . 1 1 76 76 ILE CA C 13 57.128 0.053 . 1 . . . . A 76 ILE CA . 34058 1 899 . 1 1 76 76 ILE CB C 13 34.942 0.045 . 1 . . . . A 76 ILE CB . 34058 1 900 . 1 1 76 76 ILE CG1 C 13 24.093 0 . 1 . . . . A 76 ILE CG1 . 34058 1 901 . 1 1 76 76 ILE CG2 C 13 16.345 0.101 . 1 . . . . A 76 ILE CG2 . 34058 1 902 . 1 1 76 76 ILE CD1 C 13 11.043 0.023 . 1 . . . . A 76 ILE CD1 . 34058 1 903 . 1 1 76 76 ILE N N 15 121.447 0.052 . 1 . . . . A 76 ILE N . 34058 1 904 . 1 1 77 77 ILE H H 1 7.733 0.002 . 1 . . . . A 77 ILE H . 34058 1 905 . 1 1 77 77 ILE HA H 1 4.079 0.004 . 1 . . . . A 77 ILE HA . 34058 1 906 . 1 1 77 77 ILE HB H 1 1.845 0.004 . 1 . . . . A 77 ILE HB . 34058 1 907 . 1 1 77 77 ILE HG12 H 1 1.202 0.006 . 2 . . . . A 77 ILE HG12 . 34058 1 908 . 1 1 77 77 ILE HG13 H 1 1.267 0.015 . 2 . . . . A 77 ILE HG13 . 34058 1 909 . 1 1 77 77 ILE HG21 H 1 0.834 0.001 . 1 . . . . A 77 ILE HG21 . 34058 1 910 . 1 1 77 77 ILE HG22 H 1 0.834 0.001 . 1 . . . . A 77 ILE HG22 . 34058 1 911 . 1 1 77 77 ILE HG23 H 1 0.834 0.001 . 1 . . . . A 77 ILE HG23 . 34058 1 912 . 1 1 77 77 ILE HD11 H 1 0.779 0.003 . 1 . . . . A 77 ILE HD11 . 34058 1 913 . 1 1 77 77 ILE HD12 H 1 0.779 0.003 . 1 . . . . A 77 ILE HD12 . 34058 1 914 . 1 1 77 77 ILE HD13 H 1 0.779 0.003 . 1 . . . . A 77 ILE HD13 . 34058 1 915 . 1 1 77 77 ILE CA C 13 60.13 0.049 . 1 . . . . A 77 ILE CA . 34058 1 916 . 1 1 77 77 ILE CB C 13 36.008 0.01 . 1 . . . . A 77 ILE CB . 34058 1 917 . 1 1 77 77 ILE CG1 C 13 24.578 0.056 . 1 . . . . A 77 ILE CG1 . 34058 1 918 . 1 1 77 77 ILE CG2 C 13 15.05 0.008 . 1 . . . . A 77 ILE CG2 . 34058 1 919 . 1 1 77 77 ILE CD1 C 13 10.757 0.006 . 1 . . . . A 77 ILE CD1 . 34058 1 920 . 1 1 77 77 ILE N N 15 123.282 0.036 . 1 . . . . A 77 ILE N . 34058 1 921 . 1 1 78 78 GLN HA H 1 4.033 0.001 . 1 . . . . A 78 GLN HA . 34058 1 922 . 1 1 78 78 GLN HB2 H 1 1.595 0 . 2 . . . . A 78 GLN HB2 . 34058 1 923 . 1 1 78 78 GLN HB3 H 1 1.762 0.004 . 2 . . . . A 78 GLN HB3 . 34058 1 924 . 1 1 78 78 GLN HG2 H 1 2.402 0.003 . 2 . . . . A 78 GLN HG2 . 34058 1 925 . 1 1 78 78 GLN HG3 H 1 2.585 0.007 . 2 . . . . A 78 GLN HG3 . 34058 1 926 . 1 1 78 78 GLN HE21 H 1 6.883 0.003 . 2 . . . . A 78 GLN HE21 . 34058 1 927 . 1 1 78 78 GLN HE22 H 1 7.603 0.001 . 2 . . . . A 78 GLN HE22 . 34058 1 928 . 1 1 78 78 GLN CA C 13 57.556 0 . 1 . . . . A 78 GLN CA . 34058 1 929 . 1 1 78 78 GLN CB C 13 25.768 0 . 1 . . . . A 78 GLN CB . 34058 1 930 . 1 1 78 78 GLN CG C 13 31.975 0.073 . 1 . . . . A 78 GLN CG . 34058 1 931 . 1 1 78 78 GLN NE2 N 15 110.763 0.01 . 1 . . . . A 78 GLN NE2 . 34058 1 932 . 1 1 79 79 PHE HA H 1 4.344 0.003 . 1 . . . . A 79 PHE HA . 34058 1 933 . 1 1 79 79 PHE HB2 H 1 2.734 0.008 . 2 . . . . A 79 PHE HB2 . 34058 1 934 . 1 1 79 79 PHE HB3 H 1 2.95 0.005 . 2 . . . . A 79 PHE HB3 . 34058 1 935 . 1 1 79 79 PHE HD1 H 1 7.133 0 . 3 . . . . A 79 PHE HD1 . 34058 1 936 . 1 1 79 79 PHE HD2 H 1 7.133 0 . 3 . . . . A 79 PHE HD2 . 34058 1 937 . 1 1 79 79 PHE HE1 H 1 7.062 0 . 3 . . . . A 79 PHE HE1 . 34058 1 938 . 1 1 79 79 PHE HE2 H 1 7.062 0 . 3 . . . . A 79 PHE HE2 . 34058 1 939 . 1 1 79 79 PHE HZ H 1 6.909 0 . 1 . . . . A 79 PHE HZ . 34058 1 940 . 1 1 79 79 PHE CA C 13 60.282 0.047 . 1 . . . . A 79 PHE CA . 34058 1 941 . 1 1 79 79 PHE CB C 13 36.92 0.122 . 1 . . . . A 79 PHE CB . 34058 1 942 . 1 1 79 79 PHE CD1 C 13 128.125 0 . 3 . . . . A 79 PHE CD1 . 34058 1 943 . 1 1 79 79 PHE CD2 C 13 128.146 0 . 3 . . . . A 79 PHE CD2 . 34058 1 944 . 1 1 79 79 PHE CE1 C 13 127.62 0 . 3 . . . . A 79 PHE CE1 . 34058 1 945 . 1 1 79 79 PHE CE2 C 13 127.62 0 . 3 . . . . A 79 PHE CE2 . 34058 1 946 . 1 1 79 79 PHE CZ C 13 125.529 0 . 1 . . . . A 79 PHE CZ . 34058 1 947 . 1 1 80 80 GLN HA H 1 3.964 0.001 . 1 . . . . A 80 GLN HA . 34058 1 948 . 1 1 80 80 GLN HB2 H 1 2.274 0 . 2 . . . . A 80 GLN HB2 . 34058 1 949 . 1 1 80 80 GLN HB3 H 1 2.329 0.003 . 2 . . . . A 80 GLN HB3 . 34058 1 950 . 1 1 80 80 GLN HG2 H 1 2.227 0 . 2 . . . . A 80 GLN HG2 . 34058 1 951 . 1 1 80 80 GLN HG3 H 1 2.294 0 . 2 . . . . A 80 GLN HG3 . 34058 1 952 . 1 1 80 80 GLN HE21 H 1 6.859 0.001 . 2 . . . . A 80 GLN HE21 . 34058 1 953 . 1 1 80 80 GLN HE22 H 1 7.681 0.008 . 2 . . . . A 80 GLN HE22 . 34058 1 954 . 1 1 80 80 GLN CA C 13 57.46 0.008 . 1 . . . . A 80 GLN CA . 34058 1 955 . 1 1 80 80 GLN CB C 13 26.539 0.091 . 1 . . . . A 80 GLN CB . 34058 1 956 . 1 1 80 80 GLN NE2 N 15 110.717 0.019 . 1 . . . . A 80 GLN NE2 . 34058 1 957 . 1 1 81 81 ASP H H 1 7.975 0.008 . 1 . . . . A 81 ASP H . 34058 1 958 . 1 1 81 81 ASP HA H 1 4.359 0.003 . 1 . . . . A 81 ASP HA . 34058 1 959 . 1 1 81 81 ASP HB2 H 1 2.56 0.003 . 2 . . . . A 81 ASP HB2 . 34058 1 960 . 1 1 81 81 ASP HB3 H 1 2.56 0.003 . 2 . . . . A 81 ASP HB3 . 34058 1 961 . 1 1 81 81 ASP CA C 13 54.464 0.046 . 1 . . . . A 81 ASP CA . 34058 1 962 . 1 1 81 81 ASP CB C 13 38.476 0.031 . 1 . . . . A 81 ASP CB . 34058 1 963 . 1 1 81 81 ASP N N 15 118.225 0.051 . 1 . . . . A 81 ASP N . 34058 1 964 . 1 1 82 82 SER H H 1 8.076 0.006 . 1 . . . . A 82 SER H . 34058 1 965 . 1 1 82 82 SER HA H 1 4.094 0.008 . 1 . . . . A 82 SER HA . 34058 1 966 . 1 1 82 82 SER HB2 H 1 3.422 0.006 . 2 . . . . A 82 SER HB2 . 34058 1 967 . 1 1 82 82 SER HB3 H 1 3.422 0.006 . 2 . . . . A 82 SER HB3 . 34058 1 968 . 1 1 82 82 SER CA C 13 60.021 0.106 . 1 . . . . A 82 SER CA . 34058 1 969 . 1 1 82 82 SER CB C 13 59.797 0.055 . 1 . . . . A 82 SER CB . 34058 1 970 . 1 1 82 82 SER N N 15 113.695 0.026 . 1 . . . . A 82 SER N . 34058 1 971 . 1 1 83 83 PHE H H 1 8.388 0.004 . 1 . . . . A 83 PHE H . 34058 1 972 . 1 1 83 83 PHE HA H 1 4.257 0.004 . 1 . . . . A 83 PHE HA . 34058 1 973 . 1 1 83 83 PHE HB2 H 1 2.675 0 . 2 . . . . A 83 PHE HB2 . 34058 1 974 . 1 1 83 83 PHE HB3 H 1 3.15 0.004 . 2 . . . . A 83 PHE HB3 . 34058 1 975 . 1 1 83 83 PHE HD1 H 1 6.868 0.001 . 3 . . . . A 83 PHE HD1 . 34058 1 976 . 1 1 83 83 PHE HD2 H 1 6.868 0.001 . 3 . . . . A 83 PHE HD2 . 34058 1 977 . 1 1 83 83 PHE HE1 H 1 6.493 0.005 . 3 . . . . A 83 PHE HE1 . 34058 1 978 . 1 1 83 83 PHE HE2 H 1 6.493 0.005 . 3 . . . . A 83 PHE HE2 . 34058 1 979 . 1 1 83 83 PHE HZ H 1 6.445 0.013 . 1 . . . . A 83 PHE HZ . 34058 1 980 . 1 1 83 83 PHE CA C 13 59.778 0.028 . 1 . . . . A 83 PHE CA . 34058 1 981 . 1 1 83 83 PHE CB C 13 35.157 0.048 . 1 . . . . A 83 PHE CB . 34058 1 982 . 1 1 83 83 PHE CD1 C 13 128.858 0.044 . 3 . . . . A 83 PHE CD1 . 34058 1 983 . 1 1 83 83 PHE CD2 C 13 128.883 0 . 3 . . . . A 83 PHE CD2 . 34058 1 984 . 1 1 83 83 PHE CE1 C 13 127.612 0.009 . 3 . . . . A 83 PHE CE1 . 34058 1 985 . 1 1 83 83 PHE CE2 C 13 127.599 0 . 3 . . . . A 83 PHE CE2 . 34058 1 986 . 1 1 83 83 PHE CZ C 13 124.787 0.011 . 1 . . . . A 83 PHE CZ . 34058 1 987 . 1 1 83 83 PHE N N 15 117.974 0.023 . 1 . . . . A 83 PHE N . 34058 1 988 . 1 1 84 84 GLY H H 1 7.988 0.007 . 1 . . . . A 84 GLY H . 34058 1 989 . 1 1 84 84 GLY HA2 H 1 2.961 0.003 . 2 . . . . A 84 GLY HA2 . 34058 1 990 . 1 1 84 84 GLY HA3 H 1 3.905 0.004 . 2 . . . . A 84 GLY HA3 . 34058 1 991 . 1 1 84 84 GLY CA C 13 44.792 0.063 . 1 . . . . A 84 GLY CA . 34058 1 992 . 1 1 84 84 GLY N N 15 107.785 0.02 . 1 . . . . A 84 GLY N . 34058 1 993 . 1 1 85 85 LYS H H 1 7.043 0.008 . 1 . . . . A 85 LYS H . 34058 1 994 . 1 1 85 85 LYS HA H 1 4.043 0.003 . 1 . . . . A 85 LYS HA . 34058 1 995 . 1 1 85 85 LYS HB2 H 1 1.819 0.012 . 2 . . . . A 85 LYS HB2 . 34058 1 996 . 1 1 85 85 LYS HB3 H 1 1.881 0.03 . 2 . . . . A 85 LYS HB3 . 34058 1 997 . 1 1 85 85 LYS HG2 H 1 1.391 0.003 . 2 . . . . A 85 LYS HG2 . 34058 1 998 . 1 1 85 85 LYS HG3 H 1 1.574 0.003 . 2 . . . . A 85 LYS HG3 . 34058 1 999 . 1 1 85 85 LYS HD2 H 1 1.616 0 . 2 . . . . A 85 LYS HD2 . 34058 1 1000 . 1 1 85 85 LYS HD3 H 1 1.616 0 . 2 . . . . A 85 LYS HD3 . 34058 1 1001 . 1 1 85 85 LYS HE2 H 1 2.879 0.016 . 2 . . . . A 85 LYS HE2 . 34058 1 1002 . 1 1 85 85 LYS HE3 H 1 2.879 0.016 . 2 . . . . A 85 LYS HE3 . 34058 1 1003 . 1 1 85 85 LYS CA C 13 55.93 0.015 . 1 . . . . A 85 LYS CA . 34058 1 1004 . 1 1 85 85 LYS CB C 13 30.652 0.049 . 1 . . . . A 85 LYS CB . 34058 1 1005 . 1 1 85 85 LYS CG C 13 22.877 0.123 . 1 . . . . A 85 LYS CG . 34058 1 1006 . 1 1 85 85 LYS CE C 13 39.327 0.018 . 1 . . . . A 85 LYS CE . 34058 1 1007 . 1 1 85 85 LYS N N 15 116.543 0.025 . 1 . . . . A 85 LYS N . 34058 1 1008 . 1 1 86 86 VAL H H 1 6.805 0.008 . 1 . . . . A 86 VAL H . 34058 1 1009 . 1 1 86 86 VAL HA H 1 4.928 0.002 . 1 . . . . A 86 VAL HA . 34058 1 1010 . 1 1 86 86 VAL HB H 1 2.481 0.001 . 1 . . . . A 86 VAL HB . 34058 1 1011 . 1 1 86 86 VAL HG11 H 1 1.225 0.004 . 2 . . . . A 86 VAL HG11 . 34058 1 1012 . 1 1 86 86 VAL HG12 H 1 1.225 0.004 . 2 . . . . A 86 VAL HG12 . 34058 1 1013 . 1 1 86 86 VAL HG13 H 1 1.225 0.004 . 2 . . . . A 86 VAL HG13 . 34058 1 1014 . 1 1 86 86 VAL HG21 H 1 0.879 0.004 . 2 . . . . A 86 VAL HG21 . 34058 1 1015 . 1 1 86 86 VAL HG22 H 1 0.879 0.004 . 2 . . . . A 86 VAL HG22 . 34058 1 1016 . 1 1 86 86 VAL HG23 H 1 0.879 0.004 . 2 . . . . A 86 VAL HG23 . 34058 1 1017 . 1 1 86 86 VAL CA C 13 57.683 0.046 . 1 . . . . A 86 VAL CA . 34058 1 1018 . 1 1 86 86 VAL CB C 13 30.663 0.138 . 1 . . . . A 86 VAL CB . 34058 1 1019 . 1 1 86 86 VAL CG1 C 13 16.128 0.005 . 2 . . . . A 86 VAL CG1 . 34058 1 1020 . 1 1 86 86 VAL CG2 C 13 19.074 0 . 2 . . . . A 86 VAL CG2 . 34058 1 1021 . 1 1 86 86 VAL N N 15 105.249 0.024 . 1 . . . . A 86 VAL N . 34058 1 1022 . 1 1 87 87 ALA H H 1 7.5 0.008 . 1 . . . . A 87 ALA H . 34058 1 1023 . 1 1 87 87 ALA HA H 1 3.887 0.003 . 1 . . . . A 87 ALA HA . 34058 1 1024 . 1 1 87 87 ALA HB1 H 1 1.063 0.003 . 1 . . . . A 87 ALA HB1 . 34058 1 1025 . 1 1 87 87 ALA HB2 H 1 1.063 0.003 . 1 . . . . A 87 ALA HB2 . 34058 1 1026 . 1 1 87 87 ALA HB3 H 1 1.063 0.003 . 1 . . . . A 87 ALA HB3 . 34058 1 1027 . 1 1 87 87 ALA CA C 13 54.038 0.032 . 1 . . . . A 87 ALA CA . 34058 1 1028 . 1 1 87 87 ALA CB C 13 15.679 0.022 . 1 . . . . A 87 ALA CB . 34058 1 1029 . 1 1 87 87 ALA N N 15 122.775 0.016 . 1 . . . . A 87 ALA N . 34058 1 1030 . 1 1 88 88 ALA H H 1 9.246 0.001 . 1 . . . . A 88 ALA H . 34058 1 1031 . 1 1 88 88 ALA HA H 1 3.707 0.003 . 1 . . . . A 88 ALA HA . 34058 1 1032 . 1 1 88 88 ALA HB1 H 1 1.174 0.003 . 1 . . . . A 88 ALA HB1 . 34058 1 1033 . 1 1 88 88 ALA HB2 H 1 1.174 0.003 . 1 . . . . A 88 ALA HB2 . 34058 1 1034 . 1 1 88 88 ALA HB3 H 1 1.174 0.003 . 1 . . . . A 88 ALA HB3 . 34058 1 1035 . 1 1 88 88 ALA CA C 13 54.122 0.049 . 1 . . . . A 88 ALA CA . 34058 1 1036 . 1 1 88 88 ALA CB C 13 14.442 0.023 . 1 . . . . A 88 ALA CB . 34058 1 1037 . 1 1 88 88 ALA N N 15 119.085 0.011 . 1 . . . . A 88 ALA N . 34058 1 1038 . 1 1 89 89 GLU H H 1 8.661 0.004 . 1 . . . . A 89 GLU H . 34058 1 1039 . 1 1 89 89 GLU HA H 1 3.84 0.001 . 1 . . . . A 89 GLU HA . 34058 1 1040 . 1 1 89 89 GLU HB2 H 1 1.817 0.007 . 2 . . . . A 89 GLU HB2 . 34058 1 1041 . 1 1 89 89 GLU HB3 H 1 1.977 0.006 . 2 . . . . A 89 GLU HB3 . 34058 1 1042 . 1 1 89 89 GLU HG2 H 1 1.911 0.01 . 2 . . . . A 89 GLU HG2 . 34058 1 1043 . 1 1 89 89 GLU HG3 H 1 2.131 0.005 . 2 . . . . A 89 GLU HG3 . 34058 1 1044 . 1 1 89 89 GLU CA C 13 56.095 0.014 . 1 . . . . A 89 GLU CA . 34058 1 1045 . 1 1 89 89 GLU CB C 13 26.725 0.073 . 1 . . . . A 89 GLU CB . 34058 1 1046 . 1 1 89 89 GLU CG C 13 32.803 0.033 . 1 . . . . A 89 GLU CG . 34058 1 1047 . 1 1 89 89 GLU N N 15 119.403 0.026 . 1 . . . . A 89 GLU N . 34058 1 1048 . 1 1 90 90 VAL H H 1 7.589 0.003 . 1 . . . . A 90 VAL H . 34058 1 1049 . 1 1 90 90 VAL HA H 1 3.361 0.012 . 1 . . . . A 90 VAL HA . 34058 1 1050 . 1 1 90 90 VAL HB H 1 1.964 0.009 . 1 . . . . A 90 VAL HB . 34058 1 1051 . 1 1 90 90 VAL HG11 H 1 0.332 0.002 . 2 . . . . A 90 VAL HG11 . 34058 1 1052 . 1 1 90 90 VAL HG12 H 1 0.332 0.002 . 2 . . . . A 90 VAL HG12 . 34058 1 1053 . 1 1 90 90 VAL HG13 H 1 0.332 0.002 . 2 . . . . A 90 VAL HG13 . 34058 1 1054 . 1 1 90 90 VAL HG21 H 1 0.914 0.004 . 2 . . . . A 90 VAL HG21 . 34058 1 1055 . 1 1 90 90 VAL HG22 H 1 0.914 0.004 . 2 . . . . A 90 VAL HG22 . 34058 1 1056 . 1 1 90 90 VAL HG23 H 1 0.914 0.004 . 2 . . . . A 90 VAL HG23 . 34058 1 1057 . 1 1 90 90 VAL CA C 13 63.863 0.052 . 1 . . . . A 90 VAL CA . 34058 1 1058 . 1 1 90 90 VAL CB C 13 29.282 0.007 . 1 . . . . A 90 VAL CB . 34058 1 1059 . 1 1 90 90 VAL CG1 C 13 19.585 0.073 . 2 . . . . A 90 VAL CG1 . 34058 1 1060 . 1 1 90 90 VAL CG2 C 13 20.843 0.045 . 2 . . . . A 90 VAL CG2 . 34058 1 1061 . 1 1 90 90 VAL N N 15 115.96 0.017 . 1 . . . . A 90 VAL N . 34058 1 1062 . 1 1 91 91 LEU H H 1 8.934 0.006 . 1 . . . . A 91 LEU H . 34058 1 1063 . 1 1 91 91 LEU HA H 1 3.743 0.003 . 1 . . . . A 91 LEU HA . 34058 1 1064 . 1 1 91 91 LEU HB2 H 1 1.187 0.004 . 2 . . . . A 91 LEU HB2 . 34058 1 1065 . 1 1 91 91 LEU HB3 H 1 1.796 0.004 . 2 . . . . A 91 LEU HB3 . 34058 1 1066 . 1 1 91 91 LEU HG H 1 1.829 0.005 . 1 . . . . A 91 LEU HG . 34058 1 1067 . 1 1 91 91 LEU HD11 H 1 0.729 0.002 . 2 . . . . A 91 LEU HD11 . 34058 1 1068 . 1 1 91 91 LEU HD12 H 1 0.729 0.002 . 2 . . . . A 91 LEU HD12 . 34058 1 1069 . 1 1 91 91 LEU HD13 H 1 0.729 0.002 . 2 . . . . A 91 LEU HD13 . 34058 1 1070 . 1 1 91 91 LEU HD21 H 1 0.826 0.005 . 2 . . . . A 91 LEU HD21 . 34058 1 1071 . 1 1 91 91 LEU HD22 H 1 0.826 0.005 . 2 . . . . A 91 LEU HD22 . 34058 1 1072 . 1 1 91 91 LEU HD23 H 1 0.826 0.005 . 2 . . . . A 91 LEU HD23 . 34058 1 1073 . 1 1 91 91 LEU CA C 13 55.99 0.018 . 1 . . . . A 91 LEU CA . 34058 1 1074 . 1 1 91 91 LEU CB C 13 36.798 0.032 . 1 . . . . A 91 LEU CB . 34058 1 1075 . 1 1 91 91 LEU CG C 13 26.724 0.006 . 1 . . . . A 91 LEU CG . 34058 1 1076 . 1 1 91 91 LEU CD1 C 13 21.703 0.049 . 2 . . . . A 91 LEU CD1 . 34058 1 1077 . 1 1 91 91 LEU CD2 C 13 22.017 0.012 . 2 . . . . A 91 LEU CD2 . 34058 1 1078 . 1 1 91 91 LEU N N 15 118.452 0.026 . 1 . . . . A 91 LEU N . 34058 1 1079 . 1 1 92 92 GLY H H 1 7.979 0.009 . 1 . . . . A 92 GLY H . 34058 1 1080 . 1 1 92 92 GLY HA2 H 1 3.437 0.005 . 2 . . . . A 92 GLY HA2 . 34058 1 1081 . 1 1 92 92 GLY HA3 H 1 3.766 0.003 . 2 . . . . A 92 GLY HA3 . 34058 1 1082 . 1 1 92 92 GLY CA C 13 44.548 0.025 . 1 . . . . A 92 GLY CA . 34058 1 1083 . 1 1 92 92 GLY N N 15 103.404 0.023 . 1 . . . . A 92 GLY N . 34058 1 1084 . 1 1 93 93 ARG H H 1 7.146 0.005 . 1 . . . . A 93 ARG H . 34058 1 1085 . 1 1 93 93 ARG HA H 1 4.02 0.003 . 1 . . . . A 93 ARG HA . 34058 1 1086 . 1 1 93 93 ARG HB2 H 1 1.673 0.01 . 2 . . . . A 93 ARG HB2 . 34058 1 1087 . 1 1 93 93 ARG HB3 H 1 1.735 0.006 . 2 . . . . A 93 ARG HB3 . 34058 1 1088 . 1 1 93 93 ARG HG2 H 1 1.496 0 . 2 . . . . A 93 ARG HG2 . 34058 1 1089 . 1 1 93 93 ARG HG3 H 1 1.565 0 . 2 . . . . A 93 ARG HG3 . 34058 1 1090 . 1 1 93 93 ARG HD2 H 1 3.026 0.006 . 2 . . . . A 93 ARG HD2 . 34058 1 1091 . 1 1 93 93 ARG HD3 H 1 3.064 0.007 . 2 . . . . A 93 ARG HD3 . 34058 1 1092 . 1 1 93 93 ARG CA C 13 55.416 0.039 . 1 . . . . A 93 ARG CA . 34058 1 1093 . 1 1 93 93 ARG CB C 13 26.538 0.075 . 1 . . . . A 93 ARG CB . 34058 1 1094 . 1 1 93 93 ARG CD C 13 39.324 0.105 . 1 . . . . A 93 ARG CD . 34058 1 1095 . 1 1 93 93 ARG N N 15 120.142 0.035 . 1 . . . . A 93 ARG N . 34058 1 1096 . 1 1 94 94 ILE H H 1 8.325 0.005 . 1 . . . . A 94 ILE H . 34058 1 1097 . 1 1 94 94 ILE HA H 1 3.717 0.007 . 1 . . . . A 94 ILE HA . 34058 1 1098 . 1 1 94 94 ILE HB H 1 1.028 0.002 . 1 . . . . A 94 ILE HB . 34058 1 1099 . 1 1 94 94 ILE HG12 H 1 0.626 0 . 2 . . . . A 94 ILE HG12 . 34058 1 1100 . 1 1 94 94 ILE HG13 H 1 1.404 0 . 2 . . . . A 94 ILE HG13 . 34058 1 1101 . 1 1 94 94 ILE HG21 H 1 0.537 0 . 1 . . . . A 94 ILE HG21 . 34058 1 1102 . 1 1 94 94 ILE HG22 H 1 0.537 0 . 1 . . . . A 94 ILE HG22 . 34058 1 1103 . 1 1 94 94 ILE HG23 H 1 0.537 0 . 1 . . . . A 94 ILE HG23 . 34058 1 1104 . 1 1 94 94 ILE HD11 H 1 0.444 0.006 . 1 . . . . A 94 ILE HD11 . 34058 1 1105 . 1 1 94 94 ILE HD12 H 1 0.444 0.006 . 1 . . . . A 94 ILE HD12 . 34058 1 1106 . 1 1 94 94 ILE HD13 H 1 0.444 0.006 . 1 . . . . A 94 ILE HD13 . 34058 1 1107 . 1 1 94 94 ILE CA C 13 61.861 0.039 . 1 . . . . A 94 ILE CA . 34058 1 1108 . 1 1 94 94 ILE CB C 13 32.931 0.012 . 1 . . . . A 94 ILE CB . 34058 1 1109 . 1 1 94 94 ILE CG1 C 13 22.484 0.04 . 1 . . . . A 94 ILE CG1 . 34058 1 1110 . 1 1 94 94 ILE CG2 C 13 15.001 0 . 1 . . . . A 94 ILE CG2 . 34058 1 1111 . 1 1 94 94 ILE CD1 C 13 11.297 0.02 . 1 . . . . A 94 ILE CD1 . 34058 1 1112 . 1 1 94 94 ILE N N 15 113.97 0.032 . 1 . . . . A 94 ILE N . 34058 1 1113 . 1 1 95 95 ASN H H 1 7.551 0.008 . 1 . . . . A 95 ASN H . 34058 1 1114 . 1 1 95 95 ASN HA H 1 3.964 0.004 . 1 . . . . A 95 ASN HA . 34058 1 1115 . 1 1 95 95 ASN HB2 H 1 2.6 0.003 . 2 . . . . A 95 ASN HB2 . 34058 1 1116 . 1 1 95 95 ASN HB3 H 1 2.6 0.003 . 2 . . . . A 95 ASN HB3 . 34058 1 1117 . 1 1 95 95 ASN HD21 H 1 6.662 0.004 . 2 . . . . A 95 ASN HD21 . 34058 1 1118 . 1 1 95 95 ASN HD22 H 1 7.534 0 . 2 . . . . A 95 ASN HD22 . 34058 1 1119 . 1 1 95 95 ASN CA C 13 54.131 0.053 . 1 . . . . A 95 ASN CA . 34058 1 1120 . 1 1 95 95 ASN CB C 13 37.037 0.03 . 1 . . . . A 95 ASN CB . 34058 1 1121 . 1 1 95 95 ASN N N 15 118.041 0.027 . 1 . . . . A 95 ASN N . 34058 1 1122 . 1 1 95 95 ASN ND2 N 15 113.784 0.001 . 1 . . . . A 95 ASN ND2 . 34058 1 1123 . 1 1 96 96 GLN H H 1 6.828 0.007 . 1 . . . . A 96 GLN H . 34058 1 1124 . 1 1 96 96 GLN HA H 1 3.985 0.01 . 1 . . . . A 96 GLN HA . 34058 1 1125 . 1 1 96 96 GLN HB2 H 1 2.065 0.003 . 2 . . . . A 96 GLN HB2 . 34058 1 1126 . 1 1 96 96 GLN HB3 H 1 2.103 0.006 . 2 . . . . A 96 GLN HB3 . 34058 1 1127 . 1 1 96 96 GLN HG2 H 1 2.296 0.005 . 2 . . . . A 96 GLN HG2 . 34058 1 1128 . 1 1 96 96 GLN HG3 H 1 2.489 0.006 . 2 . . . . A 96 GLN HG3 . 34058 1 1129 . 1 1 96 96 GLN HE21 H 1 6.728 0 . 2 . . . . A 96 GLN HE21 . 34058 1 1130 . 1 1 96 96 GLN HE22 H 1 7.338 0 . 2 . . . . A 96 GLN HE22 . 34058 1 1131 . 1 1 96 96 GLN CA C 13 54.879 0.041 . 1 . . . . A 96 GLN CA . 34058 1 1132 . 1 1 96 96 GLN CB C 13 26.235 0.124 . 1 . . . . A 96 GLN CB . 34058 1 1133 . 1 1 96 96 GLN CG C 13 31.198 0.075 . 1 . . . . A 96 GLN CG . 34058 1 1134 . 1 1 96 96 GLN N N 15 111.936 0.085 . 1 . . . . A 96 GLN N . 34058 1 1135 . 1 1 96 96 GLN NE2 N 15 111.993 0.042 . 1 . . . . A 96 GLN NE2 . 34058 1 1136 . 1 1 97 97 GLU H H 1 7.114 0.007 . 1 . . . . A 97 GLU H . 34058 1 1137 . 1 1 97 97 GLU HA H 1 4.139 0.006 . 1 . . . . A 97 GLU HA . 34058 1 1138 . 1 1 97 97 GLU HB2 H 1 1.917 0.008 . 1 . . . . A 97 GLU HB2 . 34058 1 1139 . 1 1 97 97 GLU HB3 H 1 1.948 0.008 . 2 . . . . A 97 GLU HB3 . 34058 1 1140 . 1 1 97 97 GLU HG2 H 1 2.117 0.006 . 2 . . . . A 97 GLU HG2 . 34058 1 1141 . 1 1 97 97 GLU HG3 H 1 2.202 0.006 . 2 . . . . A 97 GLU HG3 . 34058 1 1142 . 1 1 97 97 GLU CA C 13 53.922 0.067 . 1 . . . . A 97 GLU CA . 34058 1 1143 . 1 1 97 97 GLU CB C 13 28.354 0.062 . 1 . . . . A 97 GLU CB . 34058 1 1144 . 1 1 97 97 GLU CG C 13 33.306 0.001 . 1 . . . . A 97 GLU CG . 34058 1 1145 . 1 1 97 97 GLU N N 15 116.691 0.05 . 1 . . . . A 97 GLU N . 34058 1 1146 . 1 1 98 98 PHE H H 1 7.834 0.007 . 1 . . . . A 98 PHE H . 34058 1 1147 . 1 1 98 98 PHE HA H 1 4.824 0.005 . 1 . . . . A 98 PHE HA . 34058 1 1148 . 1 1 98 98 PHE HB2 H 1 3.051 0.004 . 2 . . . . A 98 PHE HB2 . 34058 1 1149 . 1 1 98 98 PHE HB3 H 1 3.229 0.002 . 2 . . . . A 98 PHE HB3 . 34058 1 1150 . 1 1 98 98 PHE HD1 H 1 6.809 0.006 . 3 . . . . A 98 PHE HD1 . 34058 1 1151 . 1 1 98 98 PHE HD2 H 1 6.809 0.006 . 3 . . . . A 98 PHE HD2 . 34058 1 1152 . 1 1 98 98 PHE HE1 H 1 6.993 0 . 3 . . . . A 98 PHE HE1 . 34058 1 1153 . 1 1 98 98 PHE HE2 H 1 6.993 0 . 3 . . . . A 98 PHE HE2 . 34058 1 1154 . 1 1 98 98 PHE HZ H 1 6.566 0 . 1 . . . . A 98 PHE HZ . 34058 1 1155 . 1 1 98 98 PHE CA C 13 49.95 0.067 . 1 . . . . A 98 PHE CA . 34058 1 1156 . 1 1 98 98 PHE CB C 13 35.12 0.101 . 1 . . . . A 98 PHE CB . 34058 1 1157 . 1 1 98 98 PHE CD1 C 13 126.32 0 . 3 . . . . A 98 PHE CD1 . 34058 1 1158 . 1 1 98 98 PHE CD2 C 13 126.32 0 . 3 . . . . A 98 PHE CD2 . 34058 1 1159 . 1 1 98 98 PHE CE1 C 13 127.986 0 . 3 . . . . A 98 PHE CE1 . 34058 1 1160 . 1 1 98 98 PHE CE2 C 13 127.986 0 . 3 . . . . A 98 PHE CE2 . 34058 1 1161 . 1 1 98 98 PHE CZ C 13 124.771 0 . 1 . . . . A 98 PHE CZ . 34058 1 1162 . 1 1 98 98 PHE N N 15 120.554 0.007 . 1 . . . . A 98 PHE N . 34058 1 1163 . 1 1 99 99 PRO HA H 1 4.699 0.002 . 1 . . . . A 99 PRO HA . 34058 1 1164 . 1 1 99 99 PRO HB2 H 1 2.196 0.004 . 2 . . . . A 99 PRO HB2 . 34058 1 1165 . 1 1 99 99 PRO HB3 H 1 2.371 0.002 . 2 . . . . A 99 PRO HB3 . 34058 1 1166 . 1 1 99 99 PRO HG2 H 1 1.914 0 . 2 . . . . A 99 PRO HG2 . 34058 1 1167 . 1 1 99 99 PRO HG3 H 1 2.103 0.004 . 2 . . . . A 99 PRO HG3 . 34058 1 1168 . 1 1 99 99 PRO HD2 H 1 3.342 0.004 . 2 . . . . A 99 PRO HD2 . 34058 1 1169 . 1 1 99 99 PRO HD3 H 1 3.981 0.003 . 2 . . . . A 99 PRO HD3 . 34058 1 1170 . 1 1 99 99 PRO CA C 13 58.892 0.058 . 1 . . . . A 99 PRO CA . 34058 1 1171 . 1 1 99 99 PRO CB C 13 29.705 0.071 . 1 . . . . A 99 PRO CB . 34058 1 1172 . 1 1 99 99 PRO CG C 13 24.772 0.091 . 1 . . . . A 99 PRO CG . 34058 1 1173 . 1 1 99 99 PRO CD C 13 47.801 0.07 . 1 . . . . A 99 PRO CD . 34058 1 1174 . 1 1 100 100 ARG H H 1 8.902 0.002 . 1 . . . . A 100 ARG H . 34058 1 1175 . 1 1 100 100 ARG HA H 1 3.728 0.003 . 1 . . . . A 100 ARG HA . 34058 1 1176 . 1 1 100 100 ARG HB2 H 1 1.794 0.003 . 2 . . . . A 100 ARG HB2 . 34058 1 1177 . 1 1 100 100 ARG HB3 H 1 1.905 0.002 . 2 . . . . A 100 ARG HB3 . 34058 1 1178 . 1 1 100 100 ARG HG2 H 1 1.534 0.001 . 2 . . . . A 100 ARG HG2 . 34058 1 1179 . 1 1 100 100 ARG HG3 H 1 1.693 0.009 . 2 . . . . A 100 ARG HG3 . 34058 1 1180 . 1 1 100 100 ARG HD2 H 1 3.131 0.008 . 2 . . . . A 100 ARG HD2 . 34058 1 1181 . 1 1 100 100 ARG HD3 H 1 3.131 0.008 . 2 . . . . A 100 ARG HD3 . 34058 1 1182 . 1 1 100 100 ARG CA C 13 58.147 0.067 . 1 . . . . A 100 ARG CA . 34058 1 1183 . 1 1 100 100 ARG CB C 13 27.622 0.064 . 1 . . . . A 100 ARG CB . 34058 1 1184 . 1 1 100 100 ARG CG C 13 24.432 0.094 . 1 . . . . A 100 ARG CG . 34058 1 1185 . 1 1 100 100 ARG CD C 13 40.551 0.015 . 1 . . . . A 100 ARG CD . 34058 1 1186 . 1 1 100 100 ARG N N 15 120.943 0.071 . 1 . . . . A 100 ARG N . 34058 1 1187 . 1 1 101 101 ASP H H 1 9.055 0.005 . 1 . . . . A 101 ASP H . 34058 1 1188 . 1 1 101 101 ASP HA H 1 4.26 0.006 . 1 . . . . A 101 ASP HA . 34058 1 1189 . 1 1 101 101 ASP HB2 H 1 2.46 0.006 . 2 . . . . A 101 ASP HB2 . 34058 1 1190 . 1 1 101 101 ASP HB3 H 1 2.614 0.002 . 2 . . . . A 101 ASP HB3 . 34058 1 1191 . 1 1 101 101 ASP CA C 13 54.26 0.041 . 1 . . . . A 101 ASP CA . 34058 1 1192 . 1 1 101 101 ASP CB C 13 36.416 0.084 . 1 . . . . A 101 ASP CB . 34058 1 1193 . 1 1 101 101 ASP N N 15 116.187 0.016 . 1 . . . . A 101 ASP N . 34058 1 1194 . 1 1 102 102 LEU H H 1 7.214 0.008 . 1 . . . . A 102 LEU H . 34058 1 1195 . 1 1 102 102 LEU HA H 1 4.009 0.006 . 1 . . . . A 102 LEU HA . 34058 1 1196 . 1 1 102 102 LEU HB2 H 1 0.764 0.006 . 2 . . . . A 102 LEU HB2 . 34058 1 1197 . 1 1 102 102 LEU HB3 H 1 1.069 0.004 . 2 . . . . A 102 LEU HB3 . 34058 1 1198 . 1 1 102 102 LEU HG H 1 1.362 0.004 . 1 . . . . A 102 LEU HG . 34058 1 1199 . 1 1 102 102 LEU HD11 H 1 0.328 0.009 . 2 . . . . A 102 LEU HD11 . 34058 1 1200 . 1 1 102 102 LEU HD12 H 1 0.328 0.009 . 2 . . . . A 102 LEU HD12 . 34058 1 1201 . 1 1 102 102 LEU HD13 H 1 0.328 0.009 . 2 . . . . A 102 LEU HD13 . 34058 1 1202 . 1 1 102 102 LEU HD21 H 1 0.358 0.007 . 2 . . . . A 102 LEU HD21 . 34058 1 1203 . 1 1 102 102 LEU HD22 H 1 0.358 0.007 . 2 . . . . A 102 LEU HD22 . 34058 1 1204 . 1 1 102 102 LEU HD23 H 1 0.358 0.007 . 2 . . . . A 102 LEU HD23 . 34058 1 1205 . 1 1 102 102 LEU CA C 13 54.497 0.012 . 1 . . . . A 102 LEU CA . 34058 1 1206 . 1 1 102 102 LEU CB C 13 37.389 0.06 . 1 . . . . A 102 LEU CB . 34058 1 1207 . 1 1 102 102 LEU CG C 13 25.368 0.131 . 1 . . . . A 102 LEU CG . 34058 1 1208 . 1 1 102 102 LEU CD1 C 13 20.647 0.171 . 2 . . . . A 102 LEU CD1 . 34058 1 1209 . 1 1 102 102 LEU CD2 C 13 21.68 0.006 . 2 . . . . A 102 LEU CD2 . 34058 1 1210 . 1 1 102 102 LEU N N 15 120.416 0.019 . 1 . . . . A 102 LEU N . 34058 1 1211 . 1 1 103 103 LYS H H 1 8.594 0.007 . 1 . . . . A 103 LYS H . 34058 1 1212 . 1 1 103 103 LYS HA H 1 4.038 0.007 . 1 . . . . A 103 LYS HA . 34058 1 1213 . 1 1 103 103 LYS HB2 H 1 1.94 0.006 . 2 . . . . A 103 LYS HB2 . 34058 1 1214 . 1 1 103 103 LYS HB3 H 1 1.94 0.006 . 2 . . . . A 103 LYS HB3 . 34058 1 1215 . 1 1 103 103 LYS HG2 H 1 1.579 0.032 . 2 . . . . A 103 LYS HG2 . 34058 1 1216 . 1 1 103 103 LYS HG3 H 1 1.579 0.032 . 2 . . . . A 103 LYS HG3 . 34058 1 1217 . 1 1 103 103 LYS HD2 H 1 1.577 0.006 . 2 . . . . A 103 LYS HD2 . 34058 1 1218 . 1 1 103 103 LYS HD3 H 1 1.577 0.006 . 2 . . . . A 103 LYS HD3 . 34058 1 1219 . 1 1 103 103 LYS HE2 H 1 2.982 0.008 . 2 . . . . A 103 LYS HE2 . 34058 1 1220 . 1 1 103 103 LYS HE3 H 1 2.982 0.008 . 2 . . . . A 103 LYS HE3 . 34058 1 1221 . 1 1 103 103 LYS CA C 13 58.481 0.098 . 1 . . . . A 103 LYS CA . 34058 1 1222 . 1 1 103 103 LYS CB C 13 30.647 0 . 1 . . . . A 103 LYS CB . 34058 1 1223 . 1 1 103 103 LYS CG C 13 22.867 0 . 1 . . . . A 103 LYS CG . 34058 1 1224 . 1 1 103 103 LYS CD C 13 27.181 0 . 1 . . . . A 103 LYS CD . 34058 1 1225 . 1 1 103 103 LYS CE C 13 39.694 0 . 1 . . . . A 103 LYS CE . 34058 1 1226 . 1 1 103 103 LYS N N 15 122.216 0.024 . 1 . . . . A 103 LYS N . 34058 1 1227 . 1 1 104 104 LYS H H 1 7.455 0.009 . 1 . . . . A 104 LYS H . 34058 1 1228 . 1 1 104 104 LYS HA H 1 4.058 0.007 . 1 . . . . A 104 LYS HA . 34058 1 1229 . 1 1 104 104 LYS HB2 H 1 1.851 0.001 . 2 . . . . A 104 LYS HB2 . 34058 1 1230 . 1 1 104 104 LYS HB3 H 1 1.851 0.001 . 2 . . . . A 104 LYS HB3 . 34058 1 1231 . 1 1 104 104 LYS HG2 H 1 1.377 0 . 2 . . . . A 104 LYS HG2 . 34058 1 1232 . 1 1 104 104 LYS HG3 H 1 1.553 0 . 2 . . . . A 104 LYS HG3 . 34058 1 1233 . 1 1 104 104 LYS HD2 H 1 1.624 0.005 . 2 . . . . A 104 LYS HD2 . 34058 1 1234 . 1 1 104 104 LYS HD3 H 1 1.624 0.005 . 2 . . . . A 104 LYS HD3 . 34058 1 1235 . 1 1 104 104 LYS HE2 H 1 2.875 0.014 . 2 . . . . A 104 LYS HE2 . 34058 1 1236 . 1 1 104 104 LYS HE3 H 1 2.875 0.014 . 2 . . . . A 104 LYS HE3 . 34058 1 1237 . 1 1 104 104 LYS CA C 13 56.796 0.023 . 1 . . . . A 104 LYS CA . 34058 1 1238 . 1 1 104 104 LYS CB C 13 29.49 0.06 . 1 . . . . A 104 LYS CB . 34058 1 1239 . 1 1 104 104 LYS CG C 13 22.477 0.098 . 1 . . . . A 104 LYS CG . 34058 1 1240 . 1 1 104 104 LYS CD C 13 26.696 0 . 1 . . . . A 104 LYS CD . 34058 1 1241 . 1 1 104 104 LYS CE C 13 39.349 0.026 . 1 . . . . A 104 LYS CE . 34058 1 1242 . 1 1 104 104 LYS N N 15 117.512 0.039 . 1 . . . . A 104 LYS N . 34058 1 1243 . 1 1 105 105 LYS H H 1 6.978 0.006 . 1 . . . . A 105 LYS H . 34058 1 1244 . 1 1 105 105 LYS HA H 1 4.088 0.028 . 1 . . . . A 105 LYS HA . 34058 1 1245 . 1 1 105 105 LYS HB2 H 1 1.972 0.02 . 2 . . . . A 105 LYS HB2 . 34058 1 1246 . 1 1 105 105 LYS HB3 H 1 1.972 0.02 . 2 . . . . A 105 LYS HB3 . 34058 1 1247 . 1 1 105 105 LYS HG2 H 1 1.511 0.003 . 2 . . . . A 105 LYS HG2 . 34058 1 1248 . 1 1 105 105 LYS HG3 H 1 1.633 0 . 2 . . . . A 105 LYS HG3 . 34058 1 1249 . 1 1 105 105 LYS HE2 H 1 2.896 0 . 2 . . . . A 105 LYS HE2 . 34058 1 1250 . 1 1 105 105 LYS HE3 H 1 2.896 0 . 2 . . . . A 105 LYS HE3 . 34058 1 1251 . 1 1 105 105 LYS CA C 13 56.875 0.074 . 1 . . . . A 105 LYS CA . 34058 1 1252 . 1 1 105 105 LYS CB C 13 29.966 0.035 . 1 . . . . A 105 LYS CB . 34058 1 1253 . 1 1 105 105 LYS CG C 13 23.801 0 . 1 . . . . A 105 LYS CG . 34058 1 1254 . 1 1 105 105 LYS N N 15 119.164 0.053 . 1 . . . . A 105 LYS N . 34058 1 1255 . 1 1 106 106 LEU H H 1 8.207 0.003 . 1 . . . . A 106 LEU H . 34058 1 1256 . 1 1 106 106 LEU HA H 1 3.898 0.005 . 1 . . . . A 106 LEU HA . 34058 1 1257 . 1 1 106 106 LEU HB2 H 1 1.619 0.015 . 2 . . . . A 106 LEU HB2 . 34058 1 1258 . 1 1 106 106 LEU HB3 H 1 2.127 0.005 . 2 . . . . A 106 LEU HB3 . 34058 1 1259 . 1 1 106 106 LEU HG H 1 1.508 0.01 . 1 . . . . A 106 LEU HG . 34058 1 1260 . 1 1 106 106 LEU HD11 H 1 0.769 0.005 . 2 . . . . A 106 LEU HD11 . 34058 1 1261 . 1 1 106 106 LEU HD12 H 1 0.769 0.005 . 2 . . . . A 106 LEU HD12 . 34058 1 1262 . 1 1 106 106 LEU HD13 H 1 0.769 0.005 . 2 . . . . A 106 LEU HD13 . 34058 1 1263 . 1 1 106 106 LEU HD21 H 1 0.763 0.003 . 2 . . . . A 106 LEU HD21 . 34058 1 1264 . 1 1 106 106 LEU HD22 H 1 0.763 0.003 . 2 . . . . A 106 LEU HD22 . 34058 1 1265 . 1 1 106 106 LEU HD23 H 1 0.763 0.003 . 2 . . . . A 106 LEU HD23 . 34058 1 1266 . 1 1 106 106 LEU CA C 13 56.677 0.052 . 1 . . . . A 106 LEU CA . 34058 1 1267 . 1 1 106 106 LEU CB C 13 38.786 0.03 . 1 . . . . A 106 LEU CB . 34058 1 1268 . 1 1 106 106 LEU CG C 13 25.064 0.171 . 1 . . . . A 106 LEU CG . 34058 1 1269 . 1 1 106 106 LEU CD1 C 13 22.739 0 . 2 . . . . A 106 LEU CD1 . 34058 1 1270 . 1 1 106 106 LEU CD2 C 13 24.374 0.114 . 2 . . . . A 106 LEU CD2 . 34058 1 1271 . 1 1 106 106 LEU N N 15 121.481 0.018 . 1 . . . . A 106 LEU N . 34058 1 1272 . 1 1 107 107 SER H H 1 8.551 0.006 . 1 . . . . A 107 SER H . 34058 1 1273 . 1 1 107 107 SER HA H 1 3.849 0.002 . 1 . . . . A 107 SER HA . 34058 1 1274 . 1 1 107 107 SER HB2 H 1 3.895 0 . 2 . . . . A 107 SER HB2 . 34058 1 1275 . 1 1 107 107 SER HB3 H 1 3.895 0 . 2 . . . . A 107 SER HB3 . 34058 1 1276 . 1 1 107 107 SER CA C 13 59.648 0.142 . 1 . . . . A 107 SER CA . 34058 1 1277 . 1 1 107 107 SER CB C 13 59.93 0 . 1 . . . . A 107 SER CB . 34058 1 1278 . 1 1 107 107 SER N N 15 114.977 0.022 . 1 . . . . A 107 SER N . 34058 1 1279 . 1 1 108 108 ARG H H 1 7.561 0.005 . 1 . . . . A 108 ARG H . 34058 1 1280 . 1 1 108 108 ARG HA H 1 4.051 0.003 . 1 . . . . A 108 ARG HA . 34058 1 1281 . 1 1 108 108 ARG HB2 H 1 1.956 0.002 . 2 . . . . A 108 ARG HB2 . 34058 1 1282 . 1 1 108 108 ARG HB3 H 1 1.956 0.002 . 2 . . . . A 108 ARG HB3 . 34058 1 1283 . 1 1 108 108 ARG HD2 H 1 3.101 0.004 . 2 . . . . A 108 ARG HD2 . 34058 1 1284 . 1 1 108 108 ARG HD3 H 1 3.101 0.004 . 2 . . . . A 108 ARG HD3 . 34058 1 1285 . 1 1 108 108 ARG CA C 13 57.354 0.08 . 1 . . . . A 108 ARG CA . 34058 1 1286 . 1 1 108 108 ARG CB C 13 26.242 0.102 . 1 . . . . A 108 ARG CB . 34058 1 1287 . 1 1 108 108 ARG CD C 13 39.981 0 . 1 . . . . A 108 ARG CD . 34058 1 1288 . 1 1 108 108 ARG N N 15 120.954 0.02 . 1 . . . . A 108 ARG N . 34058 1 1289 . 1 1 109 109 VAL H H 1 7.726 0.006 . 1 . . . . A 109 VAL H . 34058 1 1290 . 1 1 109 109 VAL HA H 1 3.334 0.005 . 1 . . . . A 109 VAL HA . 34058 1 1291 . 1 1 109 109 VAL HB H 1 2.435 0.003 . 1 . . . . A 109 VAL HB . 34058 1 1292 . 1 1 109 109 VAL HG11 H 1 0.893 0.002 . 2 . . . . A 109 VAL HG11 . 34058 1 1293 . 1 1 109 109 VAL HG12 H 1 0.893 0.002 . 2 . . . . A 109 VAL HG12 . 34058 1 1294 . 1 1 109 109 VAL HG13 H 1 0.893 0.002 . 2 . . . . A 109 VAL HG13 . 34058 1 1295 . 1 1 109 109 VAL HG21 H 1 1.207 0.005 . 2 . . . . A 109 VAL HG21 . 34058 1 1296 . 1 1 109 109 VAL HG22 H 1 1.207 0.005 . 2 . . . . A 109 VAL HG22 . 34058 1 1297 . 1 1 109 109 VAL HG23 H 1 1.207 0.005 . 2 . . . . A 109 VAL HG23 . 34058 1 1298 . 1 1 109 109 VAL CA C 13 64.836 0.095 . 1 . . . . A 109 VAL CA . 34058 1 1299 . 1 1 109 109 VAL CB C 13 28.683 0.02 . 1 . . . . A 109 VAL CB . 34058 1 1300 . 1 1 109 109 VAL CG1 C 13 18.272 0.011 . 2 . . . . A 109 VAL CG1 . 34058 1 1301 . 1 1 109 109 VAL CG2 C 13 20.652 0.009 . 2 . . . . A 109 VAL CG2 . 34058 1 1302 . 1 1 109 109 VAL N N 15 118.204 0.055 . 1 . . . . A 109 VAL N . 34058 1 1303 . 1 1 110 110 VAL H H 1 8.217 0 . 1 . . . . A 110 VAL H . 34058 1 1304 . 1 1 110 110 VAL HA H 1 3.3 0.001 . 1 . . . . A 110 VAL HA . 34058 1 1305 . 1 1 110 110 VAL HB H 1 2.106 0 . 1 . . . . A 110 VAL HB . 34058 1 1306 . 1 1 110 110 VAL HG11 H 1 0.792 0.003 . 2 . . . . A 110 VAL HG11 . 34058 1 1307 . 1 1 110 110 VAL HG12 H 1 0.792 0.003 . 2 . . . . A 110 VAL HG12 . 34058 1 1308 . 1 1 110 110 VAL HG13 H 1 0.792 0.003 . 2 . . . . A 110 VAL HG13 . 34058 1 1309 . 1 1 110 110 VAL HG21 H 1 0.896 0.007 . 2 . . . . A 110 VAL HG21 . 34058 1 1310 . 1 1 110 110 VAL HG22 H 1 0.896 0.007 . 2 . . . . A 110 VAL HG22 . 34058 1 1311 . 1 1 110 110 VAL HG23 H 1 0.896 0.007 . 2 . . . . A 110 VAL HG23 . 34058 1 1312 . 1 1 110 110 VAL CA C 13 65.203 0.041 . 1 . . . . A 110 VAL CA . 34058 1 1313 . 1 1 110 110 VAL CB C 13 28.302 0 . 1 . . . . A 110 VAL CB . 34058 1 1314 . 1 1 110 110 VAL CG1 C 13 18.322 0 . 2 . . . . A 110 VAL CG1 . 34058 1 1315 . 1 1 110 110 VAL CG2 C 13 21.452 0.036 . 2 . . . . A 110 VAL CG2 . 34058 1 1316 . 1 1 110 110 VAL N N 15 118.277 0 . 1 . . . . A 110 VAL N . 34058 1 1317 . 1 1 111 111 ASN H H 1 8.179 0.005 . 1 . . . . A 111 ASN H . 34058 1 1318 . 1 1 111 111 ASN HA H 1 4.318 0.008 . 1 . . . . A 111 ASN HA . 34058 1 1319 . 1 1 111 111 ASN HB2 H 1 2.736 0.013 . 2 . . . . A 111 ASN HB2 . 34058 1 1320 . 1 1 111 111 ASN HB3 H 1 2.828 0.005 . 2 . . . . A 111 ASN HB3 . 34058 1 1321 . 1 1 111 111 ASN HD21 H 1 6.827 0.006 . 2 . . . . A 111 ASN HD21 . 34058 1 1322 . 1 1 111 111 ASN HD22 H 1 7.382 0.005 . 2 . . . . A 111 ASN HD22 . 34058 1 1323 . 1 1 111 111 ASN CA C 13 54.01 0.052 . 1 . . . . A 111 ASN CA . 34058 1 1324 . 1 1 111 111 ASN CB C 13 35.495 0.034 . 1 . . . . A 111 ASN CB . 34058 1 1325 . 1 1 111 111 ASN N N 15 117.465 0.019 . 1 . . . . A 111 ASN N . 34058 1 1326 . 1 1 111 111 ASN ND2 N 15 112.477 0.001 . 1 . . . . A 111 ASN ND2 . 34058 1 1327 . 1 1 112 112 ILE H H 1 8.179 0.008 . 1 . . . . A 112 ILE H . 34058 1 1328 . 1 1 112 112 ILE HA H 1 3.641 0.005 . 1 . . . . A 112 ILE HA . 34058 1 1329 . 1 1 112 112 ILE HB H 1 1.773 0.009 . 1 . . . . A 112 ILE HB . 34058 1 1330 . 1 1 112 112 ILE HG12 H 1 0.991 0.005 . 2 . . . . A 112 ILE HG12 . 34058 1 1331 . 1 1 112 112 ILE HG13 H 1 1.42 0.005 . 2 . . . . A 112 ILE HG13 . 34058 1 1332 . 1 1 112 112 ILE HG21 H 1 0.564 0.01 . 1 . . . . A 112 ILE HG21 . 34058 1 1333 . 1 1 112 112 ILE HG22 H 1 0.564 0.01 . 1 . . . . A 112 ILE HG22 . 34058 1 1334 . 1 1 112 112 ILE HG23 H 1 0.564 0.01 . 1 . . . . A 112 ILE HG23 . 34058 1 1335 . 1 1 112 112 ILE HD11 H 1 0.537 0 . 1 . . . . A 112 ILE HD11 . 34058 1 1336 . 1 1 112 112 ILE HD12 H 1 0.537 0 . 1 . . . . A 112 ILE HD12 . 34058 1 1337 . 1 1 112 112 ILE HD13 H 1 0.537 0 . 1 . . . . A 112 ILE HD13 . 34058 1 1338 . 1 1 112 112 ILE CA C 13 61.332 0.078 . 1 . . . . A 112 ILE CA . 34058 1 1339 . 1 1 112 112 ILE CB C 13 34.702 0.156 . 1 . . . . A 112 ILE CB . 34058 1 1340 . 1 1 112 112 ILE CG1 C 13 26.066 0.028 . 1 . . . . A 112 ILE CG1 . 34058 1 1341 . 1 1 112 112 ILE CG2 C 13 14.704 0 . 1 . . . . A 112 ILE CG2 . 34058 1 1342 . 1 1 112 112 ILE CD1 C 13 12.22 0 . 1 . . . . A 112 ILE CD1 . 34058 1 1343 . 1 1 112 112 ILE N N 15 122.385 0.044 . 1 . . . . A 112 ILE N . 34058 1 1344 . 1 1 113 113 LEU H H 1 8.243 0.011 . 1 . . . . A 113 LEU H . 34058 1 1345 . 1 1 113 113 LEU HA H 1 3.582 0.005 . 1 . . . . A 113 LEU HA . 34058 1 1346 . 1 1 113 113 LEU HB2 H 1 0.907 0.003 . 2 . . . . A 113 LEU HB2 . 34058 1 1347 . 1 1 113 113 LEU HB3 H 1 2.029 0.005 . 2 . . . . A 113 LEU HB3 . 34058 1 1348 . 1 1 113 113 LEU HG H 1 2.048 0.006 . 1 . . . . A 113 LEU HG . 34058 1 1349 . 1 1 113 113 LEU HD11 H 1 0.575 0.002 . 2 . . . . A 113 LEU HD11 . 34058 1 1350 . 1 1 113 113 LEU HD12 H 1 0.575 0.002 . 2 . . . . A 113 LEU HD12 . 34058 1 1351 . 1 1 113 113 LEU HD13 H 1 0.575 0.002 . 2 . . . . A 113 LEU HD13 . 34058 1 1352 . 1 1 113 113 LEU HD21 H 1 0.68 0.006 . 2 . . . . A 113 LEU HD21 . 34058 1 1353 . 1 1 113 113 LEU HD22 H 1 0.68 0.006 . 2 . . . . A 113 LEU HD22 . 34058 1 1354 . 1 1 113 113 LEU HD23 H 1 0.68 0.006 . 2 . . . . A 113 LEU HD23 . 34058 1 1355 . 1 1 113 113 LEU CA C 13 55.123 0.03 . 1 . . . . A 113 LEU CA . 34058 1 1356 . 1 1 113 113 LEU CB C 13 38.88 0.039 . 1 . . . . A 113 LEU CB . 34058 1 1357 . 1 1 113 113 LEU CG C 13 23.241 0.049 . 1 . . . . A 113 LEU CG . 34058 1 1358 . 1 1 113 113 LEU CD1 C 13 20.965 0.014 . 2 . . . . A 113 LEU CD1 . 34058 1 1359 . 1 1 113 113 LEU CD2 C 13 23.132 0.096 . 2 . . . . A 113 LEU CD2 . 34058 1 1360 . 1 1 113 113 LEU N N 15 119.859 0.037 . 1 . . . . A 113 LEU N . 34058 1 1361 . 1 1 114 114 LYS H H 1 8.29 0.004 . 1 . . . . A 114 LYS H . 34058 1 1362 . 1 1 114 114 LYS HA H 1 3.954 0.003 . 1 . . . . A 114 LYS HA . 34058 1 1363 . 1 1 114 114 LYS HB2 H 1 1.75 0.009 . 2 . . . . A 114 LYS HB2 . 34058 1 1364 . 1 1 114 114 LYS HB3 H 1 1.967 0.011 . 2 . . . . A 114 LYS HB3 . 34058 1 1365 . 1 1 114 114 LYS HG2 H 1 1.224 0.002 . 2 . . . . A 114 LYS HG2 . 34058 1 1366 . 1 1 114 114 LYS HG3 H 1 1.509 0.009 . 2 . . . . A 114 LYS HG3 . 34058 1 1367 . 1 1 114 114 LYS HD2 H 1 1.55 0.011 . 2 . . . . A 114 LYS HD2 . 34058 1 1368 . 1 1 114 114 LYS HD3 H 1 1.55 0.011 . 2 . . . . A 114 LYS HD3 . 34058 1 1369 . 1 1 114 114 LYS HE2 H 1 2.78 0.001 . 2 . . . . A 114 LYS HE2 . 34058 1 1370 . 1 1 114 114 LYS HE3 H 1 2.78 0.001 . 2 . . . . A 114 LYS HE3 . 34058 1 1371 . 1 1 114 114 LYS CA C 13 56.973 0.032 . 1 . . . . A 114 LYS CA . 34058 1 1372 . 1 1 114 114 LYS CB C 13 30.195 0.118 . 1 . . . . A 114 LYS CB . 34058 1 1373 . 1 1 114 114 LYS CG C 13 22.166 0.14 . 1 . . . . A 114 LYS CG . 34058 1 1374 . 1 1 114 114 LYS CD C 13 26.605 0 . 1 . . . . A 114 LYS CD . 34058 1 1375 . 1 1 114 114 LYS CE C 13 38.967 0 . 1 . . . . A 114 LYS CE . 34058 1 1376 . 1 1 114 114 LYS N N 15 119.094 0.054 . 1 . . . . A 114 LYS N . 34058 1 1377 . 1 1 115 115 GLU H H 1 8.526 0.006 . 1 . . . . A 115 GLU H . 34058 1 1378 . 1 1 115 115 GLU HA H 1 3.862 0.009 . 1 . . . . A 115 GLU HA . 34058 1 1379 . 1 1 115 115 GLU HB2 H 1 1.927 0.001 . 2 . . . . A 115 GLU HB2 . 34058 1 1380 . 1 1 115 115 GLU HB3 H 1 2.003 0.011 . 2 . . . . A 115 GLU HB3 . 34058 1 1381 . 1 1 115 115 GLU HG2 H 1 2.153 0.003 . 2 . . . . A 115 GLU HG2 . 34058 1 1382 . 1 1 115 115 GLU HG3 H 1 2.2 0.002 . 2 . . . . A 115 GLU HG3 . 34058 1 1383 . 1 1 115 115 GLU CA C 13 56.404 0.084 . 1 . . . . A 115 GLU CA . 34058 1 1384 . 1 1 115 115 GLU CB C 13 26.706 0.144 . 1 . . . . A 115 GLU CB . 34058 1 1385 . 1 1 115 115 GLU CG C 13 33.398 0.107 . 1 . . . . A 115 GLU CG . 34058 1 1386 . 1 1 115 115 GLU N N 15 121.614 0.011 . 1 . . . . A 115 GLU N . 34058 1 1387 . 1 1 116 116 ARG H H 1 7.713 0.007 . 1 . . . . A 116 ARG H . 34058 1 1388 . 1 1 116 116 ARG HA H 1 3.999 0.01 . 1 . . . . A 116 ARG HA . 34058 1 1389 . 1 1 116 116 ARG HB2 H 1 1.06 0.016 . 2 . . . . A 116 ARG HB2 . 34058 1 1390 . 1 1 116 116 ARG HB3 H 1 1.06 0.016 . 2 . . . . A 116 ARG HB3 . 34058 1 1391 . 1 1 116 116 ARG HG2 H 1 0.173 0.006 . 2 . . . . A 116 ARG HG2 . 34058 1 1392 . 1 1 116 116 ARG HG3 H 1 1.377 0.014 . 2 . . . . A 116 ARG HG3 . 34058 1 1393 . 1 1 116 116 ARG HD2 H 1 2.151 0.001 . 2 . . . . A 116 ARG HD2 . 34058 1 1394 . 1 1 116 116 ARG HD3 H 1 2.183 0.009 . 2 . . . . A 116 ARG HD3 . 34058 1 1395 . 1 1 116 116 ARG HE H 1 7.009 0.01 . 1 . . . . A 116 ARG HE . 34058 1 1396 . 1 1 116 116 ARG CA C 13 53.494 0.113 . 1 . . . . A 116 ARG CA . 34058 1 1397 . 1 1 116 116 ARG CB C 13 26.462 0.305 . 1 . . . . A 116 ARG CB . 34058 1 1398 . 1 1 116 116 ARG CG C 13 25.009 0.053 . 1 . . . . A 116 ARG CG . 34058 1 1399 . 1 1 116 116 ARG CD C 13 41.643 0.019 . 1 . . . . A 116 ARG CD . 34058 1 1400 . 1 1 116 116 ARG N N 15 114.024 0.031 . 1 . . . . A 116 ARG N . 34058 1 1401 . 1 1 116 116 ARG NE N 15 85.225 0.041 . 1 . . . . A 116 ARG NE . 34058 1 1402 . 1 1 117 117 ASN H H 1 7.671 0.006 . 1 . . . . A 117 ASN H . 34058 1 1403 . 1 1 117 117 ASN HA H 1 4.338 0.006 . 1 . . . . A 117 ASN HA . 34058 1 1404 . 1 1 117 117 ASN HB2 H 1 2.598 0.003 . 2 . . . . A 117 ASN HB2 . 34058 1 1405 . 1 1 117 117 ASN HB3 H 1 2.865 0.003 . 2 . . . . A 117 ASN HB3 . 34058 1 1406 . 1 1 117 117 ASN HD21 H 1 6.69 0.001 . 2 . . . . A 117 ASN HD21 . 34058 1 1407 . 1 1 117 117 ASN HD22 H 1 7.467 0.006 . 2 . . . . A 117 ASN HD22 . 34058 1 1408 . 1 1 117 117 ASN CA C 13 51.388 0.032 . 1 . . . . A 117 ASN CA . 34058 1 1409 . 1 1 117 117 ASN CB C 13 34.167 0.052 . 1 . . . . A 117 ASN CB . 34058 1 1410 . 1 1 117 117 ASN N N 15 114.923 0.079 . 1 . . . . A 117 ASN N . 34058 1 1411 . 1 1 117 117 ASN ND2 N 15 113.363 0.003 . 1 . . . . A 117 ASN ND2 . 34058 1 1412 . 1 1 118 118 ILE H H 1 7.522 0.007 . 1 . . . . A 118 ILE H . 34058 1 1413 . 1 1 118 118 ILE HA H 1 3.381 0.004 . 1 . . . . A 118 ILE HA . 34058 1 1414 . 1 1 118 118 ILE HB H 1 1.289 0.004 . 1 . . . . A 118 ILE HB . 34058 1 1415 . 1 1 118 118 ILE HG12 H 1 0.843 0.009 . 2 . . . . A 118 ILE HG12 . 34058 1 1416 . 1 1 118 118 ILE HG13 H 1 1.41 0.001 . 2 . . . . A 118 ILE HG13 . 34058 1 1417 . 1 1 118 118 ILE HG21 H 1 -0.043 0.003 . 1 . . . . A 118 ILE HG21 . 34058 1 1418 . 1 1 118 118 ILE HG22 H 1 -0.043 0.003 . 1 . . . . A 118 ILE HG22 . 34058 1 1419 . 1 1 118 118 ILE HG23 H 1 -0.043 0.003 . 1 . . . . A 118 ILE HG23 . 34058 1 1420 . 1 1 118 118 ILE HD11 H 1 0.42 0.001 . 1 . . . . A 118 ILE HD11 . 34058 1 1421 . 1 1 118 118 ILE HD12 H 1 0.42 0.001 . 1 . . . . A 118 ILE HD12 . 34058 1 1422 . 1 1 118 118 ILE HD13 H 1 0.42 0.001 . 1 . . . . A 118 ILE HD13 . 34058 1 1423 . 1 1 118 118 ILE CA C 13 58.285 0.032 . 1 . . . . A 118 ILE CA . 34058 1 1424 . 1 1 118 118 ILE CB C 13 33.093 0.068 . 1 . . . . A 118 ILE CB . 34058 1 1425 . 1 1 118 118 ILE CG1 C 13 24.499 0.184 . 1 . . . . A 118 ILE CG1 . 34058 1 1426 . 1 1 118 118 ILE CG2 C 13 14.38 0.024 . 1 . . . . A 118 ILE CG2 . 34058 1 1427 . 1 1 118 118 ILE CD1 C 13 6.784 0.082 . 1 . . . . A 118 ILE CD1 . 34058 1 1428 . 1 1 118 118 ILE N N 15 115.951 0.024 . 1 . . . . A 118 ILE N . 34058 1 1429 . 1 1 119 119 PHE H H 1 8.09 0.002 . 1 . . . . A 119 PHE H . 34058 1 1430 . 1 1 119 119 PHE HA H 1 5.075 0.002 . 1 . . . . A 119 PHE HA . 34058 1 1431 . 1 1 119 119 PHE HB2 H 1 2.551 0.002 . 2 . . . . A 119 PHE HB2 . 34058 1 1432 . 1 1 119 119 PHE HB3 H 1 3.257 0.003 . 2 . . . . A 119 PHE HB3 . 34058 1 1433 . 1 1 119 119 PHE HD1 H 1 7.131 0.001 . 3 . . . . A 119 PHE HD1 . 34058 1 1434 . 1 1 119 119 PHE HD2 H 1 7.131 0.001 . 3 . . . . A 119 PHE HD2 . 34058 1 1435 . 1 1 119 119 PHE HE1 H 1 7.059 0.001 . 3 . . . . A 119 PHE HE1 . 34058 1 1436 . 1 1 119 119 PHE HE2 H 1 7.059 0.001 . 3 . . . . A 119 PHE HE2 . 34058 1 1437 . 1 1 119 119 PHE HZ H 1 6.944 0 . 1 . . . . A 119 PHE HZ . 34058 1 1438 . 1 1 119 119 PHE CA C 13 51.659 0.023 . 1 . . . . A 119 PHE CA . 34058 1 1439 . 1 1 119 119 PHE CB C 13 39.769 0.125 . 1 . . . . A 119 PHE CB . 34058 1 1440 . 1 1 119 119 PHE CD1 C 13 128.728 0 . 3 . . . . A 119 PHE CD1 . 34058 1 1441 . 1 1 119 119 PHE CD2 C 13 128.721 0 . 3 . . . . A 119 PHE CD2 . 34058 1 1442 . 1 1 119 119 PHE CE1 C 13 127.827 0 . 3 . . . . A 119 PHE CE1 . 34058 1 1443 . 1 1 119 119 PHE CE2 C 13 127.803 0 . 3 . . . . A 119 PHE CE2 . 34058 1 1444 . 1 1 119 119 PHE CZ C 13 128.047 0 . 1 . . . . A 119 PHE CZ . 34058 1 1445 . 1 1 119 119 PHE N N 15 115.15 0.035 . 1 . . . . A 119 PHE N . 34058 1 1446 . 1 1 120 120 SER H H 1 8.612 0.013 . 1 . . . . A 120 SER H . 34058 1 1447 . 1 1 120 120 SER HA H 1 4.269 0.006 . 1 . . . . A 120 SER HA . 34058 1 1448 . 1 1 120 120 SER HB2 H 1 4.022 0.007 . 2 . . . . A 120 SER HB2 . 34058 1 1449 . 1 1 120 120 SER HB3 H 1 4.252 0.007 . 2 . . . . A 120 SER HB3 . 34058 1 1450 . 1 1 120 120 SER CA C 13 54.755 0.052 . 1 . . . . A 120 SER CA . 34058 1 1451 . 1 1 120 120 SER CB C 13 61.881 0.056 . 1 . . . . A 120 SER CB . 34058 1 1452 . 1 1 120 120 SER N N 15 115.624 0.016 . 1 . . . . A 120 SER N . 34058 1 1453 . 1 1 121 121 LYS H H 1 8.662 0.004 . 1 . . . . A 121 LYS H . 34058 1 1454 . 1 1 121 121 LYS HA H 1 3.835 0.003 . 1 . . . . A 121 LYS HA . 34058 1 1455 . 1 1 121 121 LYS HB2 H 1 1.698 0.004 . 2 . . . . A 121 LYS HB2 . 34058 1 1456 . 1 1 121 121 LYS HB3 H 1 1.765 0.008 . 2 . . . . A 121 LYS HB3 . 34058 1 1457 . 1 1 121 121 LYS HG2 H 1 1.382 0.001 . 2 . . . . A 121 LYS HG2 . 34058 1 1458 . 1 1 121 121 LYS HG3 H 1 1.466 0.013 . 2 . . . . A 121 LYS HG3 . 34058 1 1459 . 1 1 121 121 LYS HD2 H 1 1.796 0.004 . 2 . . . . A 121 LYS HD2 . 34058 1 1460 . 1 1 121 121 LYS HD3 H 1 1.796 0.004 . 2 . . . . A 121 LYS HD3 . 34058 1 1461 . 1 1 121 121 LYS HE2 H 1 2.902 0.007 . 2 . . . . A 121 LYS HE2 . 34058 1 1462 . 1 1 121 121 LYS HE3 H 1 2.902 0.007 . 2 . . . . A 121 LYS HE3 . 34058 1 1463 . 1 1 121 121 LYS CA C 13 56.566 0.086 . 1 . . . . A 121 LYS CA . 34058 1 1464 . 1 1 121 121 LYS CB C 13 29.285 0.058 . 1 . . . . A 121 LYS CB . 34058 1 1465 . 1 1 121 121 LYS CG C 13 22.093 0.108 . 1 . . . . A 121 LYS CG . 34058 1 1466 . 1 1 121 121 LYS CD C 13 26.878 0 . 1 . . . . A 121 LYS CD . 34058 1 1467 . 1 1 121 121 LYS CE C 13 39.558 0 . 1 . . . . A 121 LYS CE . 34058 1 1468 . 1 1 121 121 LYS N N 15 120.789 0.012 . 1 . . . . A 121 LYS N . 34058 1 1469 . 1 1 122 122 GLN H H 1 8.27 0.003 . 1 . . . . A 122 GLN H . 34058 1 1470 . 1 1 122 122 GLN HA H 1 3.874 0 . 1 . . . . A 122 GLN HA . 34058 1 1471 . 1 1 122 122 GLN HB2 H 1 1.836 0.008 . 2 . . . . A 122 GLN HB2 . 34058 1 1472 . 1 1 122 122 GLN HB3 H 1 2.039 0.004 . 2 . . . . A 122 GLN HB3 . 34058 1 1473 . 1 1 122 122 GLN HG2 H 1 2.283 0.011 . 2 . . . . A 122 GLN HG2 . 34058 1 1474 . 1 1 122 122 GLN HG3 H 1 2.29 0.013 . 2 . . . . A 122 GLN HG3 . 34058 1 1475 . 1 1 122 122 GLN HE21 H 1 6.788 0 . 2 . . . . A 122 GLN HE21 . 34058 1 1476 . 1 1 122 122 GLN HE22 H 1 7.657 0 . 2 . . . . A 122 GLN HE22 . 34058 1 1477 . 1 1 122 122 GLN CA C 13 56.35 0.029 . 1 . . . . A 122 GLN CA . 34058 1 1478 . 1 1 122 122 GLN CB C 13 25.596 0.091 . 1 . . . . A 122 GLN CB . 34058 1 1479 . 1 1 122 122 GLN CG C 13 30.984 0.041 . 1 . . . . A 122 GLN CG . 34058 1 1480 . 1 1 122 122 GLN N N 15 117.628 0.03 . 1 . . . . A 122 GLN N . 34058 1 1481 . 1 1 122 122 GLN NE2 N 15 114.569 0.002 . 1 . . . . A 122 GLN NE2 . 34058 1 1482 . 1 1 123 123 VAL H H 1 7.285 0.004 . 1 . . . . A 123 VAL H . 34058 1 1483 . 1 1 123 123 VAL HA H 1 3.568 0.005 . 1 . . . . A 123 VAL HA . 34058 1 1484 . 1 1 123 123 VAL HB H 1 2.058 0.01 . 1 . . . . A 123 VAL HB . 34058 1 1485 . 1 1 123 123 VAL HG11 H 1 0.438 0.003 . 2 . . . . A 123 VAL HG11 . 34058 1 1486 . 1 1 123 123 VAL HG12 H 1 0.438 0.003 . 2 . . . . A 123 VAL HG12 . 34058 1 1487 . 1 1 123 123 VAL HG13 H 1 0.438 0.003 . 2 . . . . A 123 VAL HG13 . 34058 1 1488 . 1 1 123 123 VAL HG21 H 1 0.826 0.003 . 2 . . . . A 123 VAL HG21 . 34058 1 1489 . 1 1 123 123 VAL HG22 H 1 0.826 0.003 . 2 . . . . A 123 VAL HG22 . 34058 1 1490 . 1 1 123 123 VAL HG23 H 1 0.826 0.003 . 2 . . . . A 123 VAL HG23 . 34058 1 1491 . 1 1 123 123 VAL CA C 13 63.81 0.037 . 1 . . . . A 123 VAL CA . 34058 1 1492 . 1 1 123 123 VAL CB C 13 29.018 0.093 . 1 . . . . A 123 VAL CB . 34058 1 1493 . 1 1 123 123 VAL CG1 C 13 18.717 0.013 . 2 . . . . A 123 VAL CG1 . 34058 1 1494 . 1 1 123 123 VAL CG2 C 13 20.46 0 . 2 . . . . A 123 VAL CG2 . 34058 1 1495 . 1 1 123 123 VAL N N 15 120.921 0.021 . 1 . . . . A 123 VAL N . 34058 1 1496 . 1 1 124 124 VAL H H 1 8.245 0.005 . 1 . . . . A 124 VAL H . 34058 1 1497 . 1 1 124 124 VAL HA H 1 3.308 0.005 . 1 . . . . A 124 VAL HA . 34058 1 1498 . 1 1 124 124 VAL HB H 1 2.033 0.002 . 1 . . . . A 124 VAL HB . 34058 1 1499 . 1 1 124 124 VAL HG11 H 1 0.819 0.002 . 2 . . . . A 124 VAL HG11 . 34058 1 1500 . 1 1 124 124 VAL HG12 H 1 0.819 0.002 . 2 . . . . A 124 VAL HG12 . 34058 1 1501 . 1 1 124 124 VAL HG13 H 1 0.819 0.002 . 2 . . . . A 124 VAL HG13 . 34058 1 1502 . 1 1 124 124 VAL HG21 H 1 0.982 0.003 . 2 . . . . A 124 VAL HG21 . 34058 1 1503 . 1 1 124 124 VAL HG22 H 1 0.982 0.003 . 2 . . . . A 124 VAL HG22 . 34058 1 1504 . 1 1 124 124 VAL HG23 H 1 0.982 0.003 . 2 . . . . A 124 VAL HG23 . 34058 1 1505 . 1 1 124 124 VAL CA C 13 65.156 0.037 . 1 . . . . A 124 VAL CA . 34058 1 1506 . 1 1 124 124 VAL CB C 13 28.435 0.069 . 1 . . . . A 124 VAL CB . 34058 1 1507 . 1 1 124 124 VAL CG1 C 13 18.921 0 . 2 . . . . A 124 VAL CG1 . 34058 1 1508 . 1 1 124 124 VAL CG2 C 13 21.341 0 . 2 . . . . A 124 VAL CG2 . 34058 1 1509 . 1 1 124 124 VAL N N 15 119.222 0.034 . 1 . . . . A 124 VAL N . 34058 1 1510 . 1 1 125 125 ASN H H 1 8.217 0.008 . 1 . . . . A 125 ASN H . 34058 1 1511 . 1 1 125 125 ASN HA H 1 4.346 0.004 . 1 . . . . A 125 ASN HA . 34058 1 1512 . 1 1 125 125 ASN HB2 H 1 2.749 0.018 . 2 . . . . A 125 ASN HB2 . 34058 1 1513 . 1 1 125 125 ASN HB3 H 1 2.807 0.005 . 2 . . . . A 125 ASN HB3 . 34058 1 1514 . 1 1 125 125 ASN HD21 H 1 6.779 0.002 . 2 . . . . A 125 ASN HD21 . 34058 1 1515 . 1 1 125 125 ASN HD22 H 1 7.511 0 . 2 . . . . A 125 ASN HD22 . 34058 1 1516 . 1 1 125 125 ASN CA C 13 53.808 0.018 . 1 . . . . A 125 ASN CA . 34058 1 1517 . 1 1 125 125 ASN CB C 13 35.514 0.041 . 1 . . . . A 125 ASN CB . 34058 1 1518 . 1 1 125 125 ASN N N 15 118.14 0.036 . 1 . . . . A 125 ASN N . 34058 1 1519 . 1 1 125 125 ASN ND2 N 15 111.71 0.008 . 1 . . . . A 125 ASN ND2 . 34058 1 1520 . 1 1 126 126 ASP H H 1 8.169 0.004 . 1 . . . . A 126 ASP H . 34058 1 1521 . 1 1 126 126 ASP HA H 1 4.274 0.004 . 1 . . . . A 126 ASP HA . 34058 1 1522 . 1 1 126 126 ASP HB2 H 1 2.406 0.01 . 2 . . . . A 126 ASP HB2 . 34058 1 1523 . 1 1 126 126 ASP HB3 H 1 2.862 0.002 . 2 . . . . A 126 ASP HB3 . 34058 1 1524 . 1 1 126 126 ASP CA C 13 54.826 0.017 . 1 . . . . A 126 ASP CA . 34058 1 1525 . 1 1 126 126 ASP CB C 13 36.882 0.098 . 1 . . . . A 126 ASP CB . 34058 1 1526 . 1 1 126 126 ASP N N 15 121.672 0.049 . 1 . . . . A 126 ASP N . 34058 1 1527 . 1 1 127 127 ILE H H 1 8.822 0.004 . 1 . . . . A 127 ILE H . 34058 1 1528 . 1 1 127 127 ILE HA H 1 3.315 0.003 . 1 . . . . A 127 ILE HA . 34058 1 1529 . 1 1 127 127 ILE HB H 1 1.974 0.006 . 1 . . . . A 127 ILE HB . 34058 1 1530 . 1 1 127 127 ILE HG12 H 1 0.354 0.005 . 2 . . . . A 127 ILE HG12 . 34058 1 1531 . 1 1 127 127 ILE HG13 H 1 1.909 0.002 . 2 . . . . A 127 ILE HG13 . 34058 1 1532 . 1 1 127 127 ILE HG21 H 1 0.707 0.003 . 1 . . . . A 127 ILE HG21 . 34058 1 1533 . 1 1 127 127 ILE HG22 H 1 0.707 0.003 . 1 . . . . A 127 ILE HG22 . 34058 1 1534 . 1 1 127 127 ILE HG23 H 1 0.707 0.003 . 1 . . . . A 127 ILE HG23 . 34058 1 1535 . 1 1 127 127 ILE HD11 H 1 0.497 0.006 . 1 . . . . A 127 ILE HD11 . 34058 1 1536 . 1 1 127 127 ILE HD12 H 1 0.497 0.006 . 1 . . . . A 127 ILE HD12 . 34058 1 1537 . 1 1 127 127 ILE HD13 H 1 0.497 0.006 . 1 . . . . A 127 ILE HD13 . 34058 1 1538 . 1 1 127 127 ILE CA C 13 63.693 0.033 . 1 . . . . A 127 ILE CA . 34058 1 1539 . 1 1 127 127 ILE CB C 13 35.462 0.056 . 1 . . . . A 127 ILE CB . 34058 1 1540 . 1 1 127 127 ILE CG1 C 13 25.468 0.014 . 1 . . . . A 127 ILE CG1 . 34058 1 1541 . 1 1 127 127 ILE CG2 C 13 15.459 0.03 . 1 . . . . A 127 ILE CG2 . 34058 1 1542 . 1 1 127 127 ILE CD1 C 13 11.449 0.015 . 1 . . . . A 127 ILE CD1 . 34058 1 1543 . 1 1 127 127 ILE N N 15 123.159 0.018 . 1 . . . . A 127 ILE N . 34058 1 1544 . 1 1 128 128 GLU H H 1 8.633 0.005 . 1 . . . . A 128 GLU H . 34058 1 1545 . 1 1 128 128 GLU HA H 1 3.718 0.003 . 1 . . . . A 128 GLU HA . 34058 1 1546 . 1 1 128 128 GLU HB2 H 1 1.863 0.005 . 2 . . . . A 128 GLU HB2 . 34058 1 1547 . 1 1 128 128 GLU HB3 H 1 2.119 0.006 . 2 . . . . A 128 GLU HB3 . 34058 1 1548 . 1 1 128 128 GLU HG2 H 1 1.947 0.003 . 2 . . . . A 128 GLU HG2 . 34058 1 1549 . 1 1 128 128 GLU HG3 H 1 2.476 0.004 . 2 . . . . A 128 GLU HG3 . 34058 1 1550 . 1 1 128 128 GLU CA C 13 57.963 0.048 . 1 . . . . A 128 GLU CA . 34058 1 1551 . 1 1 128 128 GLU CB C 13 26.47 0 . 1 . . . . A 128 GLU CB . 34058 1 1552 . 1 1 128 128 GLU CG C 13 34.655 0.04 . 1 . . . . A 128 GLU CG . 34058 1 1553 . 1 1 128 128 GLU N N 15 118.481 0.011 . 1 . . . . A 128 GLU N . 34058 1 1554 . 1 1 129 129 ARG H H 1 8.269 0.004 . 1 . . . . A 129 ARG H . 34058 1 1555 . 1 1 129 129 ARG HA H 1 3.962 0.005 . 1 . . . . A 129 ARG HA . 34058 1 1556 . 1 1 129 129 ARG HB2 H 1 1.816 0.001 . 2 . . . . A 129 ARG HB2 . 34058 1 1557 . 1 1 129 129 ARG HB3 H 1 1.855 0.019 . 2 . . . . A 129 ARG HB3 . 34058 1 1558 . 1 1 129 129 ARG HG2 H 1 1.516 0.004 . 2 . . . . A 129 ARG HG2 . 34058 1 1559 . 1 1 129 129 ARG HG3 H 1 1.683 0.003 . 2 . . . . A 129 ARG HG3 . 34058 1 1560 . 1 1 129 129 ARG HD2 H 1 3.107 0.003 . 2 . . . . A 129 ARG HD2 . 34058 1 1561 . 1 1 129 129 ARG HD3 H 1 3.107 0.003 . 2 . . . . A 129 ARG HD3 . 34058 1 1562 . 1 1 129 129 ARG CA C 13 56.625 0.104 . 1 . . . . A 129 ARG CA . 34058 1 1563 . 1 1 129 129 ARG CB C 13 27.247 0.039 . 1 . . . . A 129 ARG CB . 34058 1 1564 . 1 1 129 129 ARG CG C 13 24.753 0.111 . 1 . . . . A 129 ARG CG . 34058 1 1565 . 1 1 129 129 ARG CD C 13 40.465 0.021 . 1 . . . . A 129 ARG CD . 34058 1 1566 . 1 1 129 129 ARG N N 15 119.524 0.035 . 1 . . . . A 129 ARG N . 34058 1 1567 . 1 1 130 130 SER H H 1 7.913 0.006 . 1 . . . . A 130 SER H . 34058 1 1568 . 1 1 130 130 SER HA H 1 4.14 0.005 . 1 . . . . A 130 SER HA . 34058 1 1569 . 1 1 130 130 SER HB2 H 1 3.831 0.027 . 2 . . . . A 130 SER HB2 . 34058 1 1570 . 1 1 130 130 SER HB3 H 1 3.895 0.04 . 2 . . . . A 130 SER HB3 . 34058 1 1571 . 1 1 130 130 SER CA C 13 58.745 0.184 . 1 . . . . A 130 SER CA . 34058 1 1572 . 1 1 130 130 SER CB C 13 60.369 0.027 . 1 . . . . A 130 SER CB . 34058 1 1573 . 1 1 130 130 SER N N 15 116.357 0.022 . 1 . . . . A 130 SER N . 34058 1 1574 . 1 1 131 131 LEU H H 1 8.096 0.005 . 1 . . . . A 131 LEU H . 34058 1 1575 . 1 1 131 131 LEU HA H 1 4.048 0.006 . 1 . . . . A 131 LEU HA . 34058 1 1576 . 1 1 131 131 LEU HB2 H 1 1.397 0.022 . 2 . . . . A 131 LEU HB2 . 34058 1 1577 . 1 1 131 131 LEU HB3 H 1 1.71 0.009 . 2 . . . . A 131 LEU HB3 . 34058 1 1578 . 1 1 131 131 LEU HG H 1 1.744 0.004 . 1 . . . . A 131 LEU HG . 34058 1 1579 . 1 1 131 131 LEU HD11 H 1 0.554 0.006 . 2 . . . . A 131 LEU HD11 . 34058 1 1580 . 1 1 131 131 LEU HD12 H 1 0.554 0.006 . 2 . . . . A 131 LEU HD12 . 34058 1 1581 . 1 1 131 131 LEU HD13 H 1 0.554 0.006 . 2 . . . . A 131 LEU HD13 . 34058 1 1582 . 1 1 131 131 LEU HD21 H 1 0.698 0.001 . 2 . . . . A 131 LEU HD21 . 34058 1 1583 . 1 1 131 131 LEU HD22 H 1 0.698 0.001 . 2 . . . . A 131 LEU HD22 . 34058 1 1584 . 1 1 131 131 LEU HD23 H 1 0.698 0.001 . 2 . . . . A 131 LEU HD23 . 34058 1 1585 . 1 1 131 131 LEU CA C 13 54.277 0.126 . 1 . . . . A 131 LEU CA . 34058 1 1586 . 1 1 131 131 LEU CB C 13 38.611 0.13 . 1 . . . . A 131 LEU CB . 34058 1 1587 . 1 1 131 131 LEU CG C 13 24.224 0 . 1 . . . . A 131 LEU CG . 34058 1 1588 . 1 1 131 131 LEU CD1 C 13 20.737 0.063 . 2 . . . . A 131 LEU CD1 . 34058 1 1589 . 1 1 131 131 LEU N N 15 120.999 0.041 . 1 . . . . A 131 LEU N . 34058 1 1590 . 1 1 132 132 ALA H H 1 7.397 0.004 . 1 . . . . A 132 ALA H . 34058 1 1591 . 1 1 132 132 ALA HA H 1 4.076 0.003 . 1 . . . . A 132 ALA HA . 34058 1 1592 . 1 1 132 132 ALA HB1 H 1 1.338 0.006 . 1 . . . . A 132 ALA HB1 . 34058 1 1593 . 1 1 132 132 ALA HB2 H 1 1.338 0.006 . 1 . . . . A 132 ALA HB2 . 34058 1 1594 . 1 1 132 132 ALA HB3 H 1 1.338 0.006 . 1 . . . . A 132 ALA HB3 . 34058 1 1595 . 1 1 132 132 ALA CA C 13 50.645 0.023 . 1 . . . . A 132 ALA CA . 34058 1 1596 . 1 1 132 132 ALA CB C 13 15.776 0.058 . 1 . . . . A 132 ALA CB . 34058 1 1597 . 1 1 132 132 ALA N N 15 120.522 0.011 . 1 . . . . A 132 ALA N . 34058 1 1598 . 1 1 133 133 ALA H H 1 7.553 0.003 . 1 . . . . A 133 ALA H . 34058 1 1599 . 1 1 133 133 ALA HA H 1 4.078 0.007 . 1 . . . . A 133 ALA HA . 34058 1 1600 . 1 1 133 133 ALA HB1 H 1 1.316 0.001 . 1 . . . . A 133 ALA HB1 . 34058 1 1601 . 1 1 133 133 ALA HB2 H 1 1.316 0.001 . 1 . . . . A 133 ALA HB2 . 34058 1 1602 . 1 1 133 133 ALA HB3 H 1 1.316 0.001 . 1 . . . . A 133 ALA HB3 . 34058 1 1603 . 1 1 133 133 ALA CA C 13 50.638 0.027 . 1 . . . . A 133 ALA CA . 34058 1 1604 . 1 1 133 133 ALA CB C 13 15.934 0.036 . 1 . . . . A 133 ALA CB . 34058 1 1605 . 1 1 133 133 ALA N N 15 121.076 0.023 . 1 . . . . A 133 ALA N . 34058 1 1606 . 1 1 134 134 ALA H H 1 7.668 0.008 . 1 . . . . A 134 ALA H . 34058 1 1607 . 1 1 134 134 ALA HA H 1 4.121 0.024 . 1 . . . . A 134 ALA HA . 34058 1 1608 . 1 1 134 134 ALA HB1 H 1 1.303 0.003 . 1 . . . . A 134 ALA HB1 . 34058 1 1609 . 1 1 134 134 ALA HB2 H 1 1.303 0.003 . 1 . . . . A 134 ALA HB2 . 34058 1 1610 . 1 1 134 134 ALA HB3 H 1 1.303 0.003 . 1 . . . . A 134 ALA HB3 . 34058 1 1611 . 1 1 134 134 ALA CA C 13 50.044 0.036 . 1 . . . . A 134 ALA CA . 34058 1 1612 . 1 1 134 134 ALA CB C 13 16.23 0.056 . 1 . . . . A 134 ALA CB . 34058 1 1613 . 1 1 134 134 ALA N N 15 120.785 0.029 . 1 . . . . A 134 ALA N . 34058 1 1614 . 1 1 135 135 LEU H H 1 7.755 0.012 . 1 . . . . A 135 LEU H . 34058 1 1615 . 1 1 135 135 LEU HA H 1 4.145 0.004 . 1 . . . . A 135 LEU HA . 34058 1 1616 . 1 1 135 135 LEU HB2 H 1 1.429 0.007 . 2 . . . . A 135 LEU HB2 . 34058 1 1617 . 1 1 135 135 LEU HB3 H 1 1.538 0.007 . 2 . . . . A 135 LEU HB3 . 34058 1 1618 . 1 1 135 135 LEU HG H 1 1.534 0 . 1 . . . . A 135 LEU HG . 34058 1 1619 . 1 1 135 135 LEU HD11 H 1 0.727 0.008 . 2 . . . . A 135 LEU HD11 . 34058 1 1620 . 1 1 135 135 LEU HD12 H 1 0.727 0.008 . 2 . . . . A 135 LEU HD12 . 34058 1 1621 . 1 1 135 135 LEU HD13 H 1 0.727 0.008 . 2 . . . . A 135 LEU HD13 . 34058 1 1622 . 1 1 135 135 LEU HD21 H 1 0.794 0.001 . 2 . . . . A 135 LEU HD21 . 34058 1 1623 . 1 1 135 135 LEU HD22 H 1 0.794 0.001 . 2 . . . . A 135 LEU HD22 . 34058 1 1624 . 1 1 135 135 LEU HD23 H 1 0.794 0.001 . 2 . . . . A 135 LEU HD23 . 34058 1 1625 . 1 1 135 135 LEU CA C 13 52.459 0.02 . 1 . . . . A 135 LEU CA . 34058 1 1626 . 1 1 135 135 LEU CB C 13 39.415 0 . 1 . . . . A 135 LEU CB . 34058 1 1627 . 1 1 135 135 LEU CG C 13 24.099 0 . 1 . . . . A 135 LEU CG . 34058 1 1628 . 1 1 135 135 LEU CD1 C 13 20.533 0 . 2 . . . . A 135 LEU CD1 . 34058 1 1629 . 1 1 135 135 LEU CD2 C 13 22.213 0 . 2 . . . . A 135 LEU CD2 . 34058 1 1630 . 1 1 135 135 LEU N N 15 119.716 0.1 . 1 . . . . A 135 LEU N . 34058 1 1631 . 1 1 136 136 GLU H H 1 7.978 0.016 . 1 . . . . A 136 GLU H . 34058 1 1632 . 1 1 136 136 GLU HA H 1 4.061 0.004 . 1 . . . . A 136 GLU HA . 34058 1 1633 . 1 1 136 136 GLU HB2 H 1 1.745 0 . 2 . . . . A 136 GLU HB2 . 34058 1 1634 . 1 1 136 136 GLU HB3 H 1 1.801 0.01 . 2 . . . . A 136 GLU HB3 . 34058 1 1635 . 1 1 136 136 GLU HG2 H 1 2.01 0.006 . 2 . . . . A 136 GLU HG2 . 34058 1 1636 . 1 1 136 136 GLU HG3 H 1 2.111 0.02 . 2 . . . . A 136 GLU HG3 . 34058 1 1637 . 1 1 136 136 GLU CA C 13 53.803 0.049 . 1 . . . . A 136 GLU CA . 34058 1 1638 . 1 1 136 136 GLU CB C 13 27.501 0.004 . 1 . . . . A 136 GLU CB . 34058 1 1639 . 1 1 136 136 GLU CG C 13 33.372 0 . 1 . . . . A 136 GLU CG . 34058 1 1640 . 1 1 136 136 GLU N N 15 120.59 0.01 . 1 . . . . A 136 GLU N . 34058 1 1641 . 1 1 137 137 HIS H H 1 8.162 0.013 . 1 . . . . A 137 HIS H . 34058 1 1642 . 1 1 137 137 HIS CA C 13 53.073 0.027 . 1 . . . . A 137 HIS CA . 34058 1 1643 . 1 1 137 137 HIS CB C 13 27.126 0 . 1 . . . . A 137 HIS CB . 34058 1 1644 . 1 1 137 137 HIS N N 15 119.549 0.04 . 1 . . . . A 137 HIS N . 34058 1 1645 . 1 1 138 138 HIS H H 1 8.067 0.025 . 1 . . . . A 138 HIS H . 34058 1 1646 . 1 1 138 138 HIS CA C 13 54.508 0 . 1 . . . . A 138 HIS CA . 34058 1 1647 . 1 1 138 138 HIS N N 15 125.309 0.036 . 1 . . . . A 138 HIS N . 34058 1 stop_ save_