data_16412 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16412 _Entry.Title ; Solution structure of Rtt103 bound to CTD peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-21 _Entry.Accession_date 2009-07-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bradley Lunde . M. . 16412 2 Steve Reichow . . . 16412 3 Minkyu Kim . . . 16412 4 Thomas Leeper . C. . 16412 5 Roland Becker . . . 16412 6 Stephen Buratowski . . . 16412 7 Anton Meinhart . . . 16412 8 Gabriele Varani . . . 16412 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16412 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID phosphopeptides . 16412 protein . 16412 RNA . 16412 'RNA Polymerase II CTD' . 16412 'transcription termination' . 16412 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16412 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 16412 '15N chemical shifts' 137 16412 '1H chemical shifts' 1001 16412 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 . . 2010-10-12 2009-07-21 update BMRB 'update entry citation' 16412 1 . . 2010-09-17 2009-07-21 original author 'original release' 16412 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16412 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20818393 _Citation.Full_citation . _Citation.Title 'Cooperative interaction of transcription termination factors with the RNA polymerase II C-terminal domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 17 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1195 _Citation.Page_last 1201 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Bradley Lunde . M. . 16412 1 2 Steve Reichow . L. . 16412 1 3 Minkyu Kim . . . 16412 1 4 Hyunsuk Suh . . . 16412 1 5 Thomas Leeper . C. . 16412 1 6 Fan Yang . . . 16412 1 7 Hannes Mutschler . . . 16412 1 8 Stephen Buratowski . . . 16412 1 9 Anton Meinhart . . . 16412 1 10 Gabriele Varani . . . 16412 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16412 _Assembly.ID 1 _Assembly.Name 'Rtt103 bound to CTD peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Rtt103 bound to CTD peptide' 1 $entity A . yes native no no . . . 16412 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16412 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Rtt103 bound to CTD peptide' _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _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 . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15747.308 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16411 . "Rtt103 CTD interacting domain" . . . . . 100.00 142 100.00 100.00 7.17e-99 . . . . 16412 1 2 no BMRB 17044 . Rtt103 . . . . . 100.00 142 100.00 100.00 7.17e-99 . . . . 16412 1 3 no PDB 2KM4 . "Solution Structure Of Rtt103 Ctd Interacting Domain" . . . . . 100.00 142 100.00 100.00 7.17e-99 . . . . 16412 1 4 no PDB 2L0I . "Solution Structure Of Rtt103 Ctd-Interacting Domain Bound To A Ser2 Phosphorylated Ctd Peptide" . . . . . 100.00 142 100.00 100.00 7.17e-99 . . . . 16412 1 5 no DBJ GAA22510 . "K7_Rtt103p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 92.25 407 97.71 98.47 6.33e-85 . . . . 16412 1 6 no EMBL CAY78790 . "Rtt103p [Saccharomyces cerevisiae EC1118]" . . . . . 92.25 408 98.47 98.47 1.76e-85 . . . . 16412 1 7 no GB AAB64467 . "Ydr289cp [Saccharomyces cerevisiae]" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16412 1 8 no GB AAS56119 . "YDR289C [Saccharomyces cerevisiae]" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16412 1 9 no GB AHY75263 . "Rtt103p [Saccharomyces cerevisiae YJM993]" . . . . . 92.25 408 98.47 98.47 1.76e-85 . . . . 16412 1 10 no GB AJP37990 . "Rtt103p [Saccharomyces cerevisiae YJM1078]" . . . . . 92.25 408 98.47 98.47 1.82e-85 . . . . 16412 1 11 no GB AJU58113 . "Rtt103p [Saccharomyces cerevisiae YJM189]" . . . . . 92.25 408 98.47 98.47 1.76e-85 . . . . 16412 1 12 no REF NP_010575 . "Rtt103p [Saccharomyces cerevisiae S288c]" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16412 1 13 no SP Q05543 . "RecName: Full=Regulator of Ty1 transposition protein 103" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16412 1 14 no TPG DAA12129 . "TPA: Rtt103p [Saccharomyces cerevisiae S288c]" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16412 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16412 1 2 . ALA . 16412 1 3 . PHE . 16412 1 4 . SER . 16412 1 5 . SER . 16412 1 6 . GLU . 16412 1 7 . GLN . 16412 1 8 . PHE . 16412 1 9 . THR . 16412 1 10 . THR . 16412 1 11 . LYS . 16412 1 12 . LEU . 16412 1 13 . ASN . 16412 1 14 . THR . 16412 1 15 . LEU . 16412 1 16 . GLU . 16412 1 17 . ASP . 16412 1 18 . SER . 16412 1 19 . GLN . 16412 1 20 . GLU . 16412 1 21 . SER . 16412 1 22 . ILE . 16412 1 23 . SER . 16412 1 24 . SER . 16412 1 25 . ALA . 16412 1 26 . SER . 16412 1 27 . LYS . 16412 1 28 . TRP . 16412 1 29 . LEU . 16412 1 30 . LEU . 16412 1 31 . LEU . 16412 1 32 . GLN . 16412 1 33 . TYR . 16412 1 34 . ARG . 16412 1 35 . ASP . 16412 1 36 . ALA . 16412 1 37 . PRO . 16412 1 38 . LYS . 16412 1 39 . VAL . 16412 1 40 . ALA . 16412 1 41 . GLU . 16412 1 42 . MET . 16412 1 43 . TRP . 16412 1 44 . LYS . 16412 1 45 . GLU . 16412 1 46 . TYR . 16412 1 47 . MET . 16412 1 48 . LEU . 16412 1 49 . ARG . 16412 1 50 . PRO . 16412 1 51 . SER . 16412 1 52 . VAL . 16412 1 53 . ASN . 16412 1 54 . THR . 16412 1 55 . ARG . 16412 1 56 . ARG . 16412 1 57 . LYS . 16412 1 58 . LEU . 16412 1 59 . LEU . 16412 1 60 . GLY . 16412 1 61 . LEU . 16412 1 62 . TYR . 16412 1 63 . LEU . 16412 1 64 . MET . 16412 1 65 . ASN . 16412 1 66 . HIS . 16412 1 67 . VAL . 16412 1 68 . VAL . 16412 1 69 . GLN . 16412 1 70 . GLN . 16412 1 71 . ALA . 16412 1 72 . LYS . 16412 1 73 . GLY . 16412 1 74 . GLN . 16412 1 75 . LYS . 16412 1 76 . ILE . 16412 1 77 . ILE . 16412 1 78 . GLN . 16412 1 79 . PHE . 16412 1 80 . GLN . 16412 1 81 . ASP . 16412 1 82 . SER . 16412 1 83 . PHE . 16412 1 84 . GLY . 16412 1 85 . LYS . 16412 1 86 . VAL . 16412 1 87 . ALA . 16412 1 88 . ALA . 16412 1 89 . GLU . 16412 1 90 . VAL . 16412 1 91 . LEU . 16412 1 92 . GLY . 16412 1 93 . ARG . 16412 1 94 . ILE . 16412 1 95 . ASN . 16412 1 96 . GLN . 16412 1 97 . GLU . 16412 1 98 . PHE . 16412 1 99 . PRO . 16412 1 100 . ARG . 16412 1 101 . ASP . 16412 1 102 . LEU . 16412 1 103 . LYS . 16412 1 104 . LYS . 16412 1 105 . LYS . 16412 1 106 . LEU . 16412 1 107 . SER . 16412 1 108 . ARG . 16412 1 109 . VAL . 16412 1 110 . VAL . 16412 1 111 . ASN . 16412 1 112 . ILE . 16412 1 113 . LEU . 16412 1 114 . LYS . 16412 1 115 . GLU . 16412 1 116 . ARG . 16412 1 117 . ASN . 16412 1 118 . ILE . 16412 1 119 . PHE . 16412 1 120 . SER . 16412 1 121 . LYS . 16412 1 122 . GLN . 16412 1 123 . VAL . 16412 1 124 . VAL . 16412 1 125 . ASN . 16412 1 126 . ASP . 16412 1 127 . ILE . 16412 1 128 . GLU . 16412 1 129 . ARG . 16412 1 130 . SER . 16412 1 131 . LEU . 16412 1 132 . ALA . 16412 1 133 . ALA . 16412 1 134 . ALA . 16412 1 135 . LEU . 16412 1 136 . GLU . 16412 1 137 . HIS . 16412 1 138 . HIS . 16412 1 139 . HIS . 16412 1 140 . HIS . 16412 1 141 . HIS . 16412 1 142 . HIS . 16412 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 16412 1 . ALA 2 2 16412 1 . PHE 3 3 16412 1 . SER 4 4 16412 1 . SER 5 5 16412 1 . GLU 6 6 16412 1 . GLN 7 7 16412 1 . PHE 8 8 16412 1 . THR 9 9 16412 1 . THR 10 10 16412 1 . LYS 11 11 16412 1 . LEU 12 12 16412 1 . ASN 13 13 16412 1 . THR 14 14 16412 1 . LEU 15 15 16412 1 . GLU 16 16 16412 1 . ASP 17 17 16412 1 . SER 18 18 16412 1 . GLN 19 19 16412 1 . GLU 20 20 16412 1 . SER 21 21 16412 1 . ILE 22 22 16412 1 . SER 23 23 16412 1 . SER 24 24 16412 1 . ALA 25 25 16412 1 . SER 26 26 16412 1 . LYS 27 27 16412 1 . TRP 28 28 16412 1 . LEU 29 29 16412 1 . LEU 30 30 16412 1 . LEU 31 31 16412 1 . GLN 32 32 16412 1 . TYR 33 33 16412 1 . ARG 34 34 16412 1 . ASP 35 35 16412 1 . ALA 36 36 16412 1 . PRO 37 37 16412 1 . LYS 38 38 16412 1 . VAL 39 39 16412 1 . ALA 40 40 16412 1 . GLU 41 41 16412 1 . MET 42 42 16412 1 . TRP 43 43 16412 1 . LYS 44 44 16412 1 . GLU 45 45 16412 1 . TYR 46 46 16412 1 . MET 47 47 16412 1 . LEU 48 48 16412 1 . ARG 49 49 16412 1 . PRO 50 50 16412 1 . SER 51 51 16412 1 . VAL 52 52 16412 1 . ASN 53 53 16412 1 . THR 54 54 16412 1 . ARG 55 55 16412 1 . ARG 56 56 16412 1 . LYS 57 57 16412 1 . LEU 58 58 16412 1 . LEU 59 59 16412 1 . GLY 60 60 16412 1 . LEU 61 61 16412 1 . TYR 62 62 16412 1 . LEU 63 63 16412 1 . MET 64 64 16412 1 . ASN 65 65 16412 1 . HIS 66 66 16412 1 . VAL 67 67 16412 1 . VAL 68 68 16412 1 . GLN 69 69 16412 1 . GLN 70 70 16412 1 . ALA 71 71 16412 1 . LYS 72 72 16412 1 . GLY 73 73 16412 1 . GLN 74 74 16412 1 . LYS 75 75 16412 1 . ILE 76 76 16412 1 . ILE 77 77 16412 1 . GLN 78 78 16412 1 . PHE 79 79 16412 1 . GLN 80 80 16412 1 . ASP 81 81 16412 1 . SER 82 82 16412 1 . PHE 83 83 16412 1 . GLY 84 84 16412 1 . LYS 85 85 16412 1 . VAL 86 86 16412 1 . ALA 87 87 16412 1 . ALA 88 88 16412 1 . GLU 89 89 16412 1 . VAL 90 90 16412 1 . LEU 91 91 16412 1 . GLY 92 92 16412 1 . ARG 93 93 16412 1 . ILE 94 94 16412 1 . ASN 95 95 16412 1 . GLN 96 96 16412 1 . GLU 97 97 16412 1 . PHE 98 98 16412 1 . PRO 99 99 16412 1 . ARG 100 100 16412 1 . ASP 101 101 16412 1 . LEU 102 102 16412 1 . LYS 103 103 16412 1 . LYS 104 104 16412 1 . LYS 105 105 16412 1 . LEU 106 106 16412 1 . SER 107 107 16412 1 . ARG 108 108 16412 1 . VAL 109 109 16412 1 . VAL 110 110 16412 1 . ASN 111 111 16412 1 . ILE 112 112 16412 1 . LEU 113 113 16412 1 . LYS 114 114 16412 1 . GLU 115 115 16412 1 . ARG 116 116 16412 1 . ASN 117 117 16412 1 . ILE 118 118 16412 1 . PHE 119 119 16412 1 . SER 120 120 16412 1 . LYS 121 121 16412 1 . GLN 122 122 16412 1 . VAL 123 123 16412 1 . VAL 124 124 16412 1 . ASN 125 125 16412 1 . ASP 126 126 16412 1 . ILE 127 127 16412 1 . GLU 128 128 16412 1 . ARG 129 129 16412 1 . SER 130 130 16412 1 . LEU 131 131 16412 1 . ALA 132 132 16412 1 . ALA 133 133 16412 1 . ALA 134 134 16412 1 . LEU 135 135 16412 1 . GLU 136 136 16412 1 . HIS 137 137 16412 1 . HIS 138 138 16412 1 . HIS 139 139 16412 1 . HIS 140 140 16412 1 . HIS 141 141 16412 1 . HIS 142 142 16412 1 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 16412 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Rtt103 . . . . 16412 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 16412 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL-21(DE3) . . . . . . . . . . . . . . . PET-28b . . . . . . 16412 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16412 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 16412 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16412 1 3 Rtt103 'natural abundance' . . 1 $entity . . . 0.5 1 mM . . . . 16412 1 4 CTD 'natural abundance' . . . . . . . 1 1.5 mM . . . . 16412 1 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16412 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 16412 _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' 120 . mM 16412 1 pH 7.4 . pH 16412 1 pressure 1 . atm 16412 1 temperature 298 . K 16412 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16412 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16412 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16412 1 'structure solution' 16412 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16412 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16412 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16412 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16412 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16412 _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 spectrometer_1 Bruker DMX . 500 . . . 16412 1 2 spectrometer_2 Bruker DMX . 600 . . . 16412 1 3 spectrometer_3 Bruker DMX . 750 . . . 16412 1 4 spectrometer_4 Varian INOVA . 800 . . . 16412 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 16412 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16412 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16412 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16412 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16412 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16412 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16412 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16412 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16412 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16412 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16412 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16412 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16412 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16412 1 2 '2D 1H-13C HSQC' . . . 16412 1 3 '3D 1H-15N NOESY' . . . 16412 1 4 '3D 1H-13C NOESY' . . . 16412 1 5 '3D HCCH-TOCSY' . . . 16412 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 16412 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.096 0.001 . 1 . . . . 2 ALA HA . 16412 1 2 . 1 1 2 2 ALA HB1 H 1 1.464 0.004 . . . . . . 2 ALA QB . 16412 1 3 . 1 1 2 2 ALA HB2 H 1 1.464 0.004 . . . . . . 2 ALA QB . 16412 1 4 . 1 1 2 2 ALA HB3 H 1 1.464 0.004 . . . . . . 2 ALA QB . 16412 1 5 . 1 1 2 2 ALA CA C 13 51.737 0.023 . 1 . . . . 2 ALA CA . 16412 1 6 . 1 1 2 2 ALA CB C 13 19.674 0.024 . 1 . . . . 2 ALA CB . 16412 1 7 . 1 1 3 3 PHE HA H 1 4.633 0.007 . 1 . . . . 3 PHE HA . 16412 1 8 . 1 1 3 3 PHE HB2 H 1 3.125 0.007 . 2 . . . . 3 PHE HB2 . 16412 1 9 . 1 1 3 3 PHE HB3 H 1 2.832 0.006 . 2 . . . . 3 PHE HB3 . 16412 1 10 . 1 1 3 3 PHE HD1 H 1 7.074 0.023 . 3 . . . . 3 PHE QD . 16412 1 11 . 1 1 3 3 PHE HD2 H 1 7.074 0.023 . 3 . . . . 3 PHE QD . 16412 1 12 . 1 1 3 3 PHE HE1 H 1 7.089 0.004 . 3 . . . . 3 PHE QE . 16412 1 13 . 1 1 3 3 PHE HE2 H 1 7.089 0.004 . 3 . . . . 3 PHE QE . 16412 1 14 . 1 1 3 3 PHE HZ H 1 6.905 0.004 . 1 . . . . 3 PHE HZ . 16412 1 15 . 1 1 3 3 PHE CA C 13 58.041 0.085 . 1 . . . . 3 PHE CA . 16412 1 16 . 1 1 3 3 PHE CB C 13 40.378 0.027 . 1 . . . . 3 PHE CB . 16412 1 17 . 1 1 4 4 SER HA H 1 4.632 0.006 . 1 . . . . 4 SER HA . 16412 1 18 . 1 1 4 4 SER HB2 H 1 4.083 0.005 . 2 . . . . 4 SER HB2 . 16412 1 19 . 1 1 4 4 SER HB3 H 1 3.839 0.014 . 2 . . . . 4 SER HB3 . 16412 1 20 . 1 1 4 4 SER CB C 13 64.590 0.137 . 1 . . . . 4 SER CB . 16412 1 21 . 1 1 6 6 GLU HA H 1 4.072 0.005 . 1 . . . . 6 GLU HA . 16412 1 22 . 1 1 6 6 GLU HB3 H 1 1.922 0.000 . 2 . . . . 6 GLU HB3 . 16412 1 23 . 1 1 6 6 GLU HG2 H 1 2.261 0.006 . 2 . . . . 6 GLU QG . 16412 1 24 . 1 1 6 6 GLU HG3 H 1 2.261 0.006 . 2 . . . . 6 GLU QG . 16412 1 25 . 1 1 7 7 GLN H H 1 7.913 0.006 . 1 . . . . 7 GLN H . 16412 1 26 . 1 1 7 7 GLN HA H 1 3.970 0.008 . 1 . . . . 7 GLN HA . 16412 1 27 . 1 1 7 7 GLN HB2 H 1 2.251 0.010 . 2 . . . . 7 GLN HB2 . 16412 1 28 . 1 1 7 7 GLN HB3 H 1 2.059 0.014 . 2 . . . . 7 GLN HB3 . 16412 1 29 . 1 1 7 7 GLN HE21 H 1 7.433 0.016 . 2 . . . . 7 GLN HE21 . 16412 1 30 . 1 1 7 7 GLN HE22 H 1 6.894 0.018 . 2 . . . . 7 GLN HE22 . 16412 1 31 . 1 1 7 7 GLN HG2 H 1 2.408 0.013 . 2 . . . . 7 GLN HG2 . 16412 1 32 . 1 1 7 7 GLN HG3 H 1 2.259 0.001 . 2 . . . . 7 GLN HG3 . 16412 1 33 . 1 1 7 7 GLN CB C 13 29.374 0.248 . 1 . . . . 7 GLN CB . 16412 1 34 . 1 1 7 7 GLN CG C 13 33.828 0.107 . 1 . . . . 7 GLN CG . 16412 1 35 . 1 1 7 7 GLN N N 15 119.231 0.002 . 1 . . . . 7 GLN N . 16412 1 36 . 1 1 7 7 GLN NE2 N 15 111.655 0.170 . 1 . . . . 7 GLN NE2 . 16412 1 37 . 1 1 8 8 PHE H H 1 8.125 0.004 . 1 . . . . 8 PHE H . 16412 1 38 . 1 1 8 8 PHE HA H 1 4.469 0.014 . 1 . . . . 8 PHE HA . 16412 1 39 . 1 1 8 8 PHE HB2 H 1 3.538 0.012 . 2 . . . . 8 PHE HB2 . 16412 1 40 . 1 1 8 8 PHE HB3 H 1 3.483 0.014 . 2 . . . . 8 PHE HB3 . 16412 1 41 . 1 1 8 8 PHE HD1 H 1 7.538 0.014 . 3 . . . . 8 PHE QD . 16412 1 42 . 1 1 8 8 PHE HD2 H 1 7.538 0.014 . 3 . . . . 8 PHE QD . 16412 1 43 . 1 1 8 8 PHE HE1 H 1 7.426 0.003 . 3 . . . . 8 PHE QE . 16412 1 44 . 1 1 8 8 PHE HE2 H 1 7.426 0.003 . 3 . . . . 8 PHE QE . 16412 1 45 . 1 1 8 8 PHE HZ H 1 7.202 0.009 . 1 . . . . 8 PHE HZ . 16412 1 46 . 1 1 8 8 PHE CA C 13 59.741 0.084 . 1 . . . . 8 PHE CA . 16412 1 47 . 1 1 8 8 PHE CB C 13 39.122 0.039 . 1 . . . . 8 PHE CB . 16412 1 48 . 1 1 8 8 PHE N N 15 119.739 0.011 . 1 . . . . 8 PHE N . 16412 1 49 . 1 1 9 9 THR H H 1 8.670 0.011 . 1 . . . . 9 THR H . 16412 1 50 . 1 1 9 9 THR HA H 1 3.491 0.007 . 1 . . . . 9 THR HA . 16412 1 51 . 1 1 9 9 THR HB H 1 4.269 0.007 . 1 . . . . 9 THR HB . 16412 1 52 . 1 1 9 9 THR HG21 H 1 1.265 0.003 . . . . . . 9 THR QG2 . 16412 1 53 . 1 1 9 9 THR HG22 H 1 1.265 0.003 . . . . . . 9 THR QG2 . 16412 1 54 . 1 1 9 9 THR HG23 H 1 1.265 0.003 . . . . . . 9 THR QG2 . 16412 1 55 . 1 1 9 9 THR CA C 13 67.368 0.050 . 1 . . . . 9 THR CA . 16412 1 56 . 1 1 9 9 THR CB C 13 68.493 0.042 . 1 . . . . 9 THR CB . 16412 1 57 . 1 1 9 9 THR CG2 C 13 22.248 0.034 . 1 . . . . 9 THR CG2 . 16412 1 58 . 1 1 9 9 THR N N 15 115.936 0.026 . 1 . . . . 9 THR N . 16412 1 59 . 1 1 10 10 THR H H 1 8.053 0.016 . 1 . . . . 10 THR H . 16412 1 60 . 1 1 10 10 THR HA H 1 3.854 0.008 . 1 . . . . 10 THR HA . 16412 1 61 . 1 1 10 10 THR HB H 1 4.075 0.011 . 1 . . . . 10 THR HB . 16412 1 62 . 1 1 10 10 THR HG21 H 1 1.083 0.009 . . . . . . 10 THR QG2 . 16412 1 63 . 1 1 10 10 THR HG22 H 1 1.083 0.009 . . . . . . 10 THR QG2 . 16412 1 64 . 1 1 10 10 THR HG23 H 1 1.083 0.009 . . . . . . 10 THR QG2 . 16412 1 65 . 1 1 10 10 THR CA C 13 66.936 0.029 . 1 . . . . 10 THR CA . 16412 1 66 . 1 1 10 10 THR CB C 13 68.388 0.016 . 1 . . . . 10 THR CB . 16412 1 67 . 1 1 10 10 THR CG2 C 13 21.679 0.022 . 1 . . . . 10 THR CG2 . 16412 1 68 . 1 1 10 10 THR N N 15 117.551 0.104 . 1 . . . . 10 THR N . 16412 1 69 . 1 1 11 11 LYS H H 1 7.715 0.012 . 1 . . . . 11 LYS H . 16412 1 70 . 1 1 11 11 LYS HA H 1 3.666 0.004 . 1 . . . . 11 LYS HA . 16412 1 71 . 1 1 11 11 LYS HB2 H 1 1.736 0.006 . 2 . . . . 11 LYS HB2 . 16412 1 72 . 1 1 11 11 LYS HB3 H 1 1.409 0.013 . 2 . . . . 11 LYS HB3 . 16412 1 73 . 1 1 11 11 LYS HD2 H 1 1.075 0.006 . 2 . . . . 11 LYS HD2 . 16412 1 74 . 1 1 11 11 LYS HD3 H 1 0.850 0.017 . 2 . . . . 11 LYS HD3 . 16412 1 75 . 1 1 11 11 LYS HE2 H 1 1.737 0.003 . 2 . . . . 11 LYS HE2 . 16412 1 76 . 1 1 11 11 LYS HE3 H 1 1.574 0.013 . 2 . . . . 11 LYS HE3 . 16412 1 77 . 1 1 11 11 LYS HG2 H 1 0.988 0.012 . 2 . . . . 11 LYS HG2 . 16412 1 78 . 1 1 11 11 LYS HG3 H 1 0.814 0.014 . 2 . . . . 11 LYS HG3 . 16412 1 79 . 1 1 11 11 LYS CA C 13 58.478 0.023 . 1 . . . . 11 LYS CA . 16412 1 80 . 1 1 11 11 LYS CB C 13 31.066 0.026 . 1 . . . . 11 LYS CB . 16412 1 81 . 1 1 11 11 LYS CD C 13 27.789 0.050 . 1 . . . . 11 LYS CD . 16412 1 82 . 1 1 11 11 LYS CE C 13 40.867 0.087 . 1 . . . . 11 LYS CE . 16412 1 83 . 1 1 11 11 LYS CG C 13 24.298 0.045 . 1 . . . . 11 LYS CG . 16412 1 84 . 1 1 11 11 LYS N N 15 121.748 0.011 . 1 . . . . 11 LYS N . 16412 1 85 . 1 1 12 12 LEU H H 1 7.939 0.012 . 1 . . . . 12 LEU H . 16412 1 86 . 1 1 12 12 LEU HA H 1 3.582 0.012 . 1 . . . . 12 LEU HA . 16412 1 87 . 1 1 12 12 LEU HB2 H 1 1.087 0.010 . 2 . . . . 12 LEU HB2 . 16412 1 88 . 1 1 12 12 LEU HB3 H 1 0.641 0.013 . 2 . . . . 12 LEU HB3 . 16412 1 89 . 1 1 12 12 LEU HD11 H 1 0.303 0.005 . . . . . . 12 LEU QD1 . 16412 1 90 . 1 1 12 12 LEU HD12 H 1 0.303 0.005 . . . . . . 12 LEU QD1 . 16412 1 91 . 1 1 12 12 LEU HD13 H 1 0.303 0.005 . . . . . . 12 LEU QD1 . 16412 1 92 . 1 1 12 12 LEU HD21 H 1 -0.208 0.019 . . . . . . 12 LEU QD2 . 16412 1 93 . 1 1 12 12 LEU HD22 H 1 -0.208 0.019 . . . . . . 12 LEU QD2 . 16412 1 94 . 1 1 12 12 LEU HD23 H 1 -0.208 0.019 . . . . . . 12 LEU QD2 . 16412 1 95 . 1 1 12 12 LEU HG H 1 0.870 0.010 . 1 . . . . 12 LEU HG . 16412 1 96 . 1 1 12 12 LEU CA C 13 58.003 0.095 . 1 . . . . 12 LEU CA . 16412 1 97 . 1 1 12 12 LEU CB C 13 40.091 0.042 . 1 . . . . 12 LEU CB . 16412 1 98 . 1 1 12 12 LEU CD1 C 13 22.742 0.050 . 2 . . . . 12 LEU CD1 . 16412 1 99 . 1 1 12 12 LEU CD2 C 13 23.452 0.028 . 2 . . . . 12 LEU CD2 . 16412 1 100 . 1 1 12 12 LEU CG C 13 27.831 0.016 . 1 . . . . 12 LEU CG . 16412 1 101 . 1 1 12 12 LEU N N 15 120.095 0.135 . 1 . . . . 12 LEU N . 16412 1 102 . 1 1 13 13 ASN H H 1 8.147 0.003 . 1 . . . . 13 ASN H . 16412 1 103 . 1 1 13 13 ASN HA H 1 4.558 0.006 . 1 . . . . 13 ASN HA . 16412 1 104 . 1 1 13 13 ASN HB2 H 1 2.936 0.016 . 2 . . . . 13 ASN HB2 . 16412 1 105 . 1 1 13 13 ASN HB3 H 1 2.886 0.005 . 2 . . . . 13 ASN HB3 . 16412 1 106 . 1 1 13 13 ASN HD21 H 1 7.670 0.015 . 2 . . . . 13 ASN HD21 . 16412 1 107 . 1 1 13 13 ASN HD22 H 1 7.037 0.014 . 2 . . . . 13 ASN HD22 . 16412 1 108 . 1 1 13 13 ASN CA C 13 54.376 0.082 . 1 . . . . 13 ASN CA . 16412 1 109 . 1 1 13 13 ASN CB C 13 38.977 0.018 . 1 . . . . 13 ASN CB . 16412 1 110 . 1 1 13 13 ASN N N 15 114.805 0.027 . 1 . . . . 13 ASN N . 16412 1 111 . 1 1 13 13 ASN ND2 N 15 112.963 0.022 . 1 . . . . 13 ASN ND2 . 16412 1 112 . 1 1 14 14 THR H H 1 7.385 0.006 . 1 . . . . 14 THR H . 16412 1 113 . 1 1 14 14 THR HA H 1 4.471 0.008 . 1 . . . . 14 THR HA . 16412 1 114 . 1 1 14 14 THR HB H 1 4.395 0.004 . 1 . . . . 14 THR HB . 16412 1 115 . 1 1 14 14 THR HG21 H 1 1.171 0.003 . . . . . . 14 THR QG2 . 16412 1 116 . 1 1 14 14 THR HG22 H 1 1.171 0.003 . . . . . . 14 THR QG2 . 16412 1 117 . 1 1 14 14 THR HG23 H 1 1.171 0.003 . . . . . . 14 THR QG2 . 16412 1 118 . 1 1 14 14 THR CA C 13 60.598 0.238 . 1 . . . . 14 THR CA . 16412 1 119 . 1 1 14 14 THR CB C 13 70.151 0.010 . 1 . . . . 14 THR CB . 16412 1 120 . 1 1 14 14 THR CG2 C 13 21.314 0.040 . 1 . . . . 14 THR CG2 . 16412 1 121 . 1 1 14 14 THR N N 15 106.206 0.017 . 1 . . . . 14 THR N . 16412 1 122 . 1 1 15 15 LEU H H 1 6.857 0.010 . 1 . . . . 15 LEU H . 16412 1 123 . 1 1 15 15 LEU HA H 1 3.992 0.005 . 1 . . . . 15 LEU HA . 16412 1 124 . 1 1 15 15 LEU HB2 H 1 1.712 0.009 . 2 . . . . 15 LEU HB2 . 16412 1 125 . 1 1 15 15 LEU HB3 H 1 1.315 0.014 . 2 . . . . 15 LEU HB3 . 16412 1 126 . 1 1 15 15 LEU HD11 H 1 0.843 0.017 . . . . . . 15 LEU QD1 . 16412 1 127 . 1 1 15 15 LEU HD12 H 1 0.843 0.017 . . . . . . 15 LEU QD1 . 16412 1 128 . 1 1 15 15 LEU HD13 H 1 0.843 0.017 . . . . . . 15 LEU QD1 . 16412 1 129 . 1 1 15 15 LEU HD21 H 1 0.729 0.013 . . . . . . 15 LEU QD2 . 16412 1 130 . 1 1 15 15 LEU HD22 H 1 0.729 0.013 . . . . . . 15 LEU QD2 . 16412 1 131 . 1 1 15 15 LEU HD23 H 1 0.729 0.013 . . . . . . 15 LEU QD2 . 16412 1 132 . 1 1 15 15 LEU HG H 1 2.152 0.016 . 1 . . . . 15 LEU HG . 16412 1 133 . 1 1 15 15 LEU CA C 13 56.169 0.108 . 1 . . . . 15 LEU CA . 16412 1 134 . 1 1 15 15 LEU CB C 13 43.145 0.047 . 1 . . . . 15 LEU CB . 16412 1 135 . 1 1 15 15 LEU CD1 C 13 25.815 0.172 . 2 . . . . 15 LEU CD1 . 16412 1 136 . 1 1 15 15 LEU CD2 C 13 23.765 0.045 . 2 . . . . 15 LEU CD2 . 16412 1 137 . 1 1 15 15 LEU CG C 13 25.935 0.038 . 1 . . . . 15 LEU CG . 16412 1 138 . 1 1 15 15 LEU N N 15 122.845 0.025 . 1 . . . . 15 LEU N . 16412 1 139 . 1 1 16 16 GLU H H 1 8.703 0.020 . 1 . . . . 16 GLU H . 16412 1 140 . 1 1 16 16 GLU HA H 1 4.518 0.007 . 1 . . . . 16 GLU HA . 16412 1 141 . 1 1 16 16 GLU HB2 H 1 2.040 0.012 . 2 . . . . 16 GLU HB2 . 16412 1 142 . 1 1 16 16 GLU HB3 H 1 1.706 0.009 . 2 . . . . 16 GLU HB3 . 16412 1 143 . 1 1 16 16 GLU HG2 H 1 2.289 0.011 . 2 . . . . 16 GLU HG2 . 16412 1 144 . 1 1 16 16 GLU HG3 H 1 2.185 0.006 . 2 . . . . 16 GLU HG3 . 16412 1 145 . 1 1 16 16 GLU CA C 13 54.003 0.031 . 1 . . . . 16 GLU CA . 16412 1 146 . 1 1 16 16 GLU CB C 13 33.118 0.073 . 1 . . . . 16 GLU CB . 16412 1 147 . 1 1 16 16 GLU CG C 13 36.203 0.145 . 1 . . . . 16 GLU CG . 16412 1 148 . 1 1 16 16 GLU N N 15 120.943 0.071 . 1 . . . . 16 GLU N . 16412 1 149 . 1 1 17 17 ASP H H 1 8.543 0.016 . 1 . . . . 17 ASP H . 16412 1 150 . 1 1 17 17 ASP HA H 1 4.642 0.011 . 1 . . . . 17 ASP HA . 16412 1 151 . 1 1 17 17 ASP HB2 H 1 2.945 0.004 . 2 . . . . 17 ASP HB2 . 16412 1 152 . 1 1 17 17 ASP HB3 H 1 2.454 0.007 . 2 . . . . 17 ASP HB3 . 16412 1 153 . 1 1 17 17 ASP CA C 13 52.233 0.036 . 1 . . . . 17 ASP CA . 16412 1 154 . 1 1 17 17 ASP CB C 13 39.027 0.124 . 1 . . . . 17 ASP CB . 16412 1 155 . 1 1 17 17 ASP N N 15 118.339 0.037 . 1 . . . . 17 ASP N . 16412 1 156 . 1 1 18 18 SER H H 1 8.433 0.012 . 1 . . . . 18 SER H . 16412 1 157 . 1 1 18 18 SER HA H 1 4.689 0.002 . 1 . . . . 18 SER HA . 16412 1 158 . 1 1 18 18 SER HB2 H 1 4.131 0.006 . 2 . . . . 18 SER HB2 . 16412 1 159 . 1 1 18 18 SER HB3 H 1 3.800 0.012 . 2 . . . . 18 SER HB3 . 16412 1 160 . 1 1 18 18 SER CB C 13 65.986 0.061 . 1 . . . . 18 SER CB . 16412 1 161 . 1 1 18 18 SER N N 15 117.206 0.013 . 1 . . . . 18 SER N . 16412 1 162 . 1 1 19 19 GLN H H 1 9.011 0.010 . 1 . . . . 19 GLN H . 16412 1 163 . 1 1 19 19 GLN HA H 1 3.947 0.015 . 1 . . . . 19 GLN HA . 16412 1 164 . 1 1 19 19 GLN HB2 H 1 1.916 0.011 . 2 . . . . 19 GLN QB . 16412 1 165 . 1 1 19 19 GLN HB3 H 1 1.916 0.011 . 2 . . . . 19 GLN QB . 16412 1 166 . 1 1 19 19 GLN HE21 H 1 7.508 0.014 . 2 . . . . 19 GLN HE21 . 16412 1 167 . 1 1 19 19 GLN HE22 H 1 7.021 0.018 . 2 . . . . 19 GLN HE22 . 16412 1 168 . 1 1 19 19 GLN HG2 H 1 2.388 0.016 . 2 . . . . 19 GLN QG . 16412 1 169 . 1 1 19 19 GLN HG3 H 1 2.388 0.016 . 2 . . . . 19 GLN QG . 16412 1 170 . 1 1 19 19 GLN CA C 13 59.202 0.198 . 1 . . . . 19 GLN CA . 16412 1 171 . 1 1 19 19 GLN CB C 13 29.681 0.108 . 1 . . . . 19 GLN CB . 16412 1 172 . 1 1 19 19 GLN CG C 13 33.612 0.231 . 1 . . . . 19 GLN CG . 16412 1 173 . 1 1 19 19 GLN NE2 N 15 110.154 0.023 . 1 . . . . 19 GLN NE2 . 16412 1 174 . 1 1 20 20 GLU H H 1 9.009 0.004 . 1 . . . . 20 GLU H . 16412 1 175 . 1 1 20 20 GLU HA H 1 3.930 0.010 . 1 . . . . 20 GLU HA . 16412 1 176 . 1 1 20 20 GLU HB2 H 1 1.988 0.009 . 2 . . . . 20 GLU HB2 . 16412 1 177 . 1 1 20 20 GLU HB3 H 1 1.846 0.012 . 2 . . . . 20 GLU HB3 . 16412 1 178 . 1 1 20 20 GLU HG2 H 1 2.298 0.005 . 2 . . . . 20 GLU HG2 . 16412 1 179 . 1 1 20 20 GLU HG3 H 1 2.216 0.012 . 2 . . . . 20 GLU HG3 . 16412 1 180 . 1 1 20 20 GLU CA C 13 59.333 0.150 . 1 . . . . 20 GLU CA . 16412 1 181 . 1 1 20 20 GLU CB C 13 29.127 0.103 . 1 . . . . 20 GLU CB . 16412 1 182 . 1 1 20 20 GLU CG C 13 36.008 0.275 . 1 . . . . 20 GLU CG . 16412 1 183 . 1 1 21 21 SER H H 1 7.871 0.008 . 1 . . . . 21 SER H . 16412 1 184 . 1 1 21 21 SER HA H 1 4.071 0.003 . 1 . . . . 21 SER HA . 16412 1 185 . 1 1 21 21 SER HB2 H 1 4.108 0.015 . 2 . . . . 21 SER HB2 . 16412 1 186 . 1 1 21 21 SER HB3 H 1 3.889 0.011 . 2 . . . . 21 SER HB3 . 16412 1 187 . 1 1 21 21 SER CA C 13 60.537 0.085 . 1 . . . . 21 SER CA . 16412 1 188 . 1 1 21 21 SER CB C 13 63.054 0.044 . 1 . . . . 21 SER CB . 16412 1 189 . 1 1 21 21 SER N N 15 114.263 0.070 . 1 . . . . 21 SER N . 16412 1 190 . 1 1 22 22 ILE H H 1 7.594 0.008 . 1 . . . . 22 ILE H . 16412 1 191 . 1 1 22 22 ILE HA H 1 3.614 0.012 . 1 . . . . 22 ILE HA . 16412 1 192 . 1 1 22 22 ILE HB H 1 1.633 0.010 . 1 . . . . 22 ILE HB . 16412 1 193 . 1 1 22 22 ILE HD11 H 1 0.748 0.010 . . . . . . 22 ILE QD1 . 16412 1 194 . 1 1 22 22 ILE HD12 H 1 0.748 0.010 . . . . . . 22 ILE QD1 . 16412 1 195 . 1 1 22 22 ILE HD13 H 1 0.748 0.010 . . . . . . 22 ILE QD1 . 16412 1 196 . 1 1 22 22 ILE HG12 H 1 1.646 0.000 . 2 . . . . 22 ILE HG12 . 16412 1 197 . 1 1 22 22 ILE HG13 H 1 1.423 0.000 . 2 . . . . 22 ILE HG13 . 16412 1 198 . 1 1 22 22 ILE HG21 H 1 0.378 0.002 . . . . . . 22 ILE QG2 . 16412 1 199 . 1 1 22 22 ILE HG22 H 1 0.378 0.002 . . . . . . 22 ILE QG2 . 16412 1 200 . 1 1 22 22 ILE HG23 H 1 0.378 0.002 . . . . . . 22 ILE QG2 . 16412 1 201 . 1 1 22 22 ILE CA C 13 63.366 0.027 . 1 . . . . 22 ILE CA . 16412 1 202 . 1 1 22 22 ILE CB C 13 36.359 0.024 . 1 . . . . 22 ILE CB . 16412 1 203 . 1 1 22 22 ILE CD1 C 13 11.184 0.009 . 1 . . . . 22 ILE CD1 . 16412 1 204 . 1 1 22 22 ILE CG2 C 13 17.570 0.040 . 1 . . . . 22 ILE CG2 . 16412 1 205 . 1 1 22 22 ILE N N 15 117.099 0.019 . 1 . . . . 22 ILE N . 16412 1 206 . 1 1 23 23 SER H H 1 8.318 0.006 . 1 . . . . 23 SER H . 16412 1 207 . 1 1 23 23 SER HA H 1 3.631 0.011 . 1 . . . . 23 SER HA . 16412 1 208 . 1 1 23 23 SER HB2 H 1 3.947 0.022 . 2 . . . . 23 SER HB2 . 16412 1 209 . 1 1 23 23 SER HB3 H 1 3.828 0.008 . 2 . . . . 23 SER HB3 . 16412 1 210 . 1 1 23 23 SER CA C 13 61.963 0.159 . 1 . . . . 23 SER CA . 16412 1 211 . 1 1 23 23 SER CB C 13 62.640 0.027 . 1 . . . . 23 SER CB . 16412 1 212 . 1 1 23 23 SER N N 15 114.381 0.017 . 1 . . . . 23 SER N . 16412 1 213 . 1 1 24 24 SER H H 1 8.085 0.016 . 1 . . . . 24 SER H . 16412 1 214 . 1 1 24 24 SER HA H 1 4.192 0.016 . 1 . . . . 24 SER HA . 16412 1 215 . 1 1 24 24 SER HB2 H 1 4.029 0.005 . 2 . . . . 24 SER HB2 . 16412 1 216 . 1 1 24 24 SER HB3 H 1 3.944 0.015 . 2 . . . . 24 SER HB3 . 16412 1 217 . 1 1 24 24 SER CA C 13 62.369 0.306 . 1 . . . . 24 SER CA . 16412 1 218 . 1 1 24 24 SER CB C 13 62.629 0.032 . 1 . . . . 24 SER CB . 16412 1 219 . 1 1 24 24 SER N N 15 117.606 0.103 . 1 . . . . 24 SER N . 16412 1 220 . 1 1 25 25 ALA H H 1 7.642 0.006 . 1 . . . . 25 ALA H . 16412 1 221 . 1 1 25 25 ALA HA H 1 4.251 0.011 . 1 . . . . 25 ALA HA . 16412 1 222 . 1 1 25 25 ALA HB1 H 1 1.431 0.008 . . . . . . 25 ALA QB . 16412 1 223 . 1 1 25 25 ALA HB2 H 1 1.431 0.008 . . . . . . 25 ALA QB . 16412 1 224 . 1 1 25 25 ALA HB3 H 1 1.431 0.008 . . . . . . 25 ALA QB . 16412 1 225 . 1 1 25 25 ALA CA C 13 55.249 0.049 . 1 . . . . 25 ALA CA . 16412 1 226 . 1 1 25 25 ALA CB C 13 18.836 0.015 . 1 . . . . 25 ALA CB . 16412 1 227 . 1 1 25 25 ALA N N 15 124.652 0.015 . 1 . . . . 25 ALA N . 16412 1 228 . 1 1 26 26 SER H H 1 8.250 0.009 . 1 . . . . 26 SER H . 16412 1 229 . 1 1 26 26 SER HA H 1 3.967 0.015 . 1 . . . . 26 SER HA . 16412 1 230 . 1 1 26 26 SER HB2 H 1 4.030 0.013 . 2 . . . . 26 SER HB2 . 16412 1 231 . 1 1 26 26 SER HB3 H 1 3.814 0.008 . 2 . . . . 26 SER HB3 . 16412 1 232 . 1 1 26 26 SER CA C 13 61.312 0.051 . 1 . . . . 26 SER CA . 16412 1 233 . 1 1 26 26 SER N N 15 114.135 0.008 . 1 . . . . 26 SER N . 16412 1 234 . 1 1 27 27 LYS H H 1 8.030 0.002 . 1 . . . . 27 LYS H . 16412 1 235 . 1 1 27 27 LYS HA H 1 3.932 0.010 . 1 . . . . 27 LYS HA . 16412 1 236 . 1 1 27 27 LYS HB2 H 1 2.030 0.007 . 2 . . . . 27 LYS QB . 16412 1 237 . 1 1 27 27 LYS HB3 H 1 2.030 0.007 . 2 . . . . 27 LYS QB . 16412 1 238 . 1 1 27 27 LYS HD2 H 1 1.684 0.013 . 2 . . . . 27 LYS QD . 16412 1 239 . 1 1 27 27 LYS HD3 H 1 1.684 0.013 . 2 . . . . 27 LYS QD . 16412 1 240 . 1 1 27 27 LYS HE2 H 1 2.973 0.005 . 2 . . . . 27 LYS QE . 16412 1 241 . 1 1 27 27 LYS HE3 H 1 2.973 0.005 . 2 . . . . 27 LYS QE . 16412 1 242 . 1 1 27 27 LYS HG2 H 1 1.482 0.012 . 2 . . . . 27 LYS QG . 16412 1 243 . 1 1 27 27 LYS HG3 H 1 1.482 0.012 . 2 . . . . 27 LYS QG . 16412 1 244 . 1 1 27 27 LYS CA C 13 59.511 0.133 . 1 . . . . 27 LYS CA . 16412 1 245 . 1 1 27 27 LYS CB C 13 32.667 0.000 . 1 . . . . 27 LYS CB . 16412 1 246 . 1 1 27 27 LYS CD C 13 29.215 0.071 . 1 . . . . 27 LYS CD . 16412 1 247 . 1 1 27 27 LYS CE C 13 42.085 0.007 . 1 . . . . 27 LYS CE . 16412 1 248 . 1 1 27 27 LYS CG C 13 25.154 0.099 . 1 . . . . 27 LYS CG . 16412 1 249 . 1 1 27 27 LYS N N 15 119.667 0.020 . 1 . . . . 27 LYS N . 16412 1 250 . 1 1 28 28 TRP H H 1 7.430 0.009 . 1 . . . . 28 TRP H . 16412 1 251 . 1 1 28 28 TRP HA H 1 4.251 0.009 . 1 . . . . 28 TRP HA . 16412 1 252 . 1 1 28 28 TRP HB2 H 1 3.536 0.012 . 2 . . . . 28 TRP HB2 . 16412 1 253 . 1 1 28 28 TRP HB3 H 1 3.365 0.011 . 2 . . . . 28 TRP HB3 . 16412 1 254 . 1 1 28 28 TRP HE1 H 1 10.317 0.008 . 1 . . . . 28 TRP HE1 . 16412 1 255 . 1 1 28 28 TRP HE3 H 1 7.562 0.005 . 1 . . . . 28 TRP HE3 . 16412 1 256 . 1 1 28 28 TRP HH2 H 1 6.882 0.021 . 1 . . . . 28 TRP HH2 . 16412 1 257 . 1 1 28 28 TRP HZ2 H 1 7.489 0.001 . 1 . . . . 28 TRP HZ2 . 16412 1 258 . 1 1 28 28 TRP HZ3 H 1 6.809 0.012 . 1 . . . . 28 TRP HZ3 . 16412 1 259 . 1 1 28 28 TRP CA C 13 61.496 0.098 . 1 . . . . 28 TRP CA . 16412 1 260 . 1 1 28 28 TRP CB C 13 28.267 0.202 . 1 . . . . 28 TRP CB . 16412 1 261 . 1 1 28 28 TRP N N 15 118.089 0.033 . 1 . . . . 28 TRP N . 16412 1 262 . 1 1 28 28 TRP NE1 N 15 131.500 0.000 . 1 . . . . 28 TRP NE1 . 16412 1 263 . 1 1 29 29 LEU H H 1 8.335 0.010 . 1 . . . . 29 LEU H . 16412 1 264 . 1 1 29 29 LEU HA H 1 3.556 0.003 . 1 . . . . 29 LEU HA . 16412 1 265 . 1 1 29 29 LEU HB2 H 1 1.936 0.016 . 2 . . . . 29 LEU HB2 . 16412 1 266 . 1 1 29 29 LEU HB3 H 1 1.296 0.015 . 2 . . . . 29 LEU HB3 . 16412 1 267 . 1 1 29 29 LEU HD11 H 1 0.864 0.010 . . . . . . 29 LEU QD1 . 16412 1 268 . 1 1 29 29 LEU HD12 H 1 0.864 0.010 . . . . . . 29 LEU QD1 . 16412 1 269 . 1 1 29 29 LEU HD13 H 1 0.864 0.010 . . . . . . 29 LEU QD1 . 16412 1 270 . 1 1 29 29 LEU HD21 H 1 0.754 0.008 . . . . . . 29 LEU QD2 . 16412 1 271 . 1 1 29 29 LEU HD22 H 1 0.754 0.008 . . . . . . 29 LEU QD2 . 16412 1 272 . 1 1 29 29 LEU HD23 H 1 0.754 0.008 . . . . . . 29 LEU QD2 . 16412 1 273 . 1 1 29 29 LEU HG H 1 1.928 0.018 . 1 . . . . 29 LEU HG . 16412 1 274 . 1 1 29 29 LEU CA C 13 57.651 0.166 . 1 . . . . 29 LEU CA . 16412 1 275 . 1 1 29 29 LEU CB C 13 42.396 0.080 . 1 . . . . 29 LEU CB . 16412 1 276 . 1 1 29 29 LEU CD1 C 13 25.661 0.000 . 2 . . . . 29 LEU CD1 . 16412 1 277 . 1 1 29 29 LEU CD2 C 13 25.307 0.043 . 2 . . . . 29 LEU CD2 . 16412 1 278 . 1 1 29 29 LEU CG C 13 27.195 0.053 . 1 . . . . 29 LEU CG . 16412 1 279 . 1 1 29 29 LEU N N 15 119.781 0.196 . 1 . . . . 29 LEU N . 16412 1 280 . 1 1 30 30 LEU H H 1 8.567 0.015 . 1 . . . . 30 LEU H . 16412 1 281 . 1 1 30 30 LEU HA H 1 3.948 0.006 . 1 . . . . 30 LEU HA . 16412 1 282 . 1 1 30 30 LEU HB2 H 1 1.803 0.010 . 2 . . . . 30 LEU HB2 . 16412 1 283 . 1 1 30 30 LEU HB3 H 1 1.503 0.008 . 2 . . . . 30 LEU HB3 . 16412 1 284 . 1 1 30 30 LEU HD11 H 1 0.750 0.009 . . . . . . 30 LEU QD1 . 16412 1 285 . 1 1 30 30 LEU HD12 H 1 0.750 0.009 . . . . . . 30 LEU QD1 . 16412 1 286 . 1 1 30 30 LEU HD13 H 1 0.750 0.009 . . . . . . 30 LEU QD1 . 16412 1 287 . 1 1 30 30 LEU HD21 H 1 0.639 0.011 . . . . . . 30 LEU QD2 . 16412 1 288 . 1 1 30 30 LEU HD22 H 1 0.639 0.011 . . . . . . 30 LEU QD2 . 16412 1 289 . 1 1 30 30 LEU HD23 H 1 0.639 0.011 . . . . . . 30 LEU QD2 . 16412 1 290 . 1 1 30 30 LEU HG H 1 1.726 0.009 . 1 . . . . 30 LEU HG . 16412 1 291 . 1 1 30 30 LEU CA C 13 57.679 0.191 . 1 . . . . 30 LEU CA . 16412 1 292 . 1 1 30 30 LEU CB C 13 41.690 0.227 . 1 . . . . 30 LEU CB . 16412 1 293 . 1 1 30 30 LEU CD1 C 13 25.307 0.058 . 2 . . . . 30 LEU CD1 . 16412 1 294 . 1 1 30 30 LEU CD2 C 13 23.587 0.156 . 2 . . . . 30 LEU CD2 . 16412 1 295 . 1 1 30 30 LEU CG C 13 27.639 0.082 . 1 . . . . 30 LEU CG . 16412 1 296 . 1 1 30 30 LEU N N 15 119.335 0.028 . 1 . . . . 30 LEU N . 16412 1 297 . 1 1 31 31 LEU H H 1 7.116 0.015 . 1 . . . . 31 LEU H . 16412 1 298 . 1 1 31 31 LEU HA H 1 4.321 0.002 . 1 . . . . 31 LEU HA . 16412 1 299 . 1 1 31 31 LEU HB2 H 1 1.858 0.006 . 2 . . . . 31 LEU HB2 . 16412 1 300 . 1 1 31 31 LEU HB3 H 1 1.482 0.008 . 2 . . . . 31 LEU HB3 . 16412 1 301 . 1 1 31 31 LEU HD11 H 1 0.960 0.010 . . . . . . 31 LEU QD1 . 16412 1 302 . 1 1 31 31 LEU HD12 H 1 0.960 0.010 . . . . . . 31 LEU QD1 . 16412 1 303 . 1 1 31 31 LEU HD13 H 1 0.960 0.010 . . . . . . 31 LEU QD1 . 16412 1 304 . 1 1 31 31 LEU HD21 H 1 0.932 0.008 . . . . . . 31 LEU QD2 . 16412 1 305 . 1 1 31 31 LEU HD22 H 1 0.932 0.008 . . . . . . 31 LEU QD2 . 16412 1 306 . 1 1 31 31 LEU HD23 H 1 0.932 0.008 . . . . . . 31 LEU QD2 . 16412 1 307 . 1 1 31 31 LEU HG H 1 1.953 0.009 . 1 . . . . 31 LEU HG . 16412 1 308 . 1 1 31 31 LEU CA C 13 56.496 0.175 . 1 . . . . 31 LEU CA . 16412 1 309 . 1 1 31 31 LEU CB C 13 41.723 0.043 . 1 . . . . 31 LEU CB . 16412 1 310 . 1 1 31 31 LEU CD1 C 13 25.585 0.031 . 2 . . . . 31 LEU CD1 . 16412 1 311 . 1 1 31 31 LEU CD2 C 13 22.128 0.194 . 2 . . . . 31 LEU CD2 . 16412 1 312 . 1 1 31 31 LEU CG C 13 27.082 0.026 . 1 . . . . 31 LEU CG . 16412 1 313 . 1 1 31 31 LEU N N 15 115.802 0.024 . 1 . . . . 31 LEU N . 16412 1 314 . 1 1 32 32 GLN H H 1 8.141 0.004 . 1 . . . . 32 GLN H . 16412 1 315 . 1 1 32 32 GLN HA H 1 4.465 0.004 . 1 . . . . 32 GLN HA . 16412 1 316 . 1 1 32 32 GLN HB2 H 1 2.109 0.016 . 2 . . . . 32 GLN HB2 . 16412 1 317 . 1 1 32 32 GLN HB3 H 1 1.679 0.010 . 2 . . . . 32 GLN HB3 . 16412 1 318 . 1 1 32 32 GLN HE21 H 1 5.966 0.004 . 2 . . . . 32 GLN HE21 . 16412 1 319 . 1 1 32 32 GLN HE22 H 1 5.542 0.004 . 2 . . . . 32 GLN HE22 . 16412 1 320 . 1 1 32 32 GLN HG2 H 1 1.973 0.008 . 2 . . . . 32 GLN HG2 . 16412 1 321 . 1 1 32 32 GLN HG3 H 1 1.268 0.008 . 2 . . . . 32 GLN HG3 . 16412 1 322 . 1 1 32 32 GLN CA C 13 53.076 0.096 . 1 . . . . 32 GLN CA . 16412 1 323 . 1 1 32 32 GLN CB C 13 25.795 0.148 . 1 . . . . 32 GLN CB . 16412 1 324 . 1 1 32 32 GLN CG C 13 31.586 0.171 . 1 . . . . 32 GLN CG . 16412 1 325 . 1 1 32 32 GLN N N 15 117.931 0.019 . 1 . . . . 32 GLN N . 16412 1 326 . 1 1 33 33 TYR H H 1 6.897 0.007 . 1 . . . . 33 TYR H . 16412 1 327 . 1 1 33 33 TYR HA H 1 3.586 0.008 . 1 . . . . 33 TYR HA . 16412 1 328 . 1 1 33 33 TYR HB2 H 1 3.212 0.016 . 2 . . . . 33 TYR HB2 . 16412 1 329 . 1 1 33 33 TYR HB3 H 1 2.665 0.006 . 2 . . . . 33 TYR HB3 . 16412 1 330 . 1 1 33 33 TYR HD1 H 1 7.005 0.018 . 3 . . . . 33 TYR QD . 16412 1 331 . 1 1 33 33 TYR HD2 H 1 7.005 0.018 . 3 . . . . 33 TYR QD . 16412 1 332 . 1 1 33 33 TYR HE1 H 1 6.826 0.008 . 3 . . . . 33 TYR QE . 16412 1 333 . 1 1 33 33 TYR HE2 H 1 6.826 0.008 . 3 . . . . 33 TYR QE . 16412 1 334 . 1 1 33 33 TYR CA C 13 60.340 0.037 . 1 . . . . 33 TYR CA . 16412 1 335 . 1 1 33 33 TYR CB C 13 37.900 0.086 . 1 . . . . 33 TYR CB . 16412 1 336 . 1 1 33 33 TYR N N 15 116.057 0.012 . 1 . . . . 33 TYR N . 16412 1 337 . 1 1 34 34 ARG H H 1 7.795 0.015 . 1 . . . . 34 ARG H . 16412 1 338 . 1 1 34 34 ARG HA H 1 3.761 0.010 . 1 . . . . 34 ARG HA . 16412 1 339 . 1 1 34 34 ARG HB2 H 1 1.627 0.013 . 2 . . . . 34 ARG HB2 . 16412 1 340 . 1 1 34 34 ARG HB3 H 1 1.193 0.016 . 2 . . . . 34 ARG HB3 . 16412 1 341 . 1 1 34 34 ARG HD2 H 1 3.014 0.007 . 2 . . . . 34 ARG HD2 . 16412 1 342 . 1 1 34 34 ARG HD3 H 1 2.891 0.004 . 2 . . . . 34 ARG HD3 . 16412 1 343 . 1 1 34 34 ARG HG2 H 1 1.173 0.010 . 2 . . . . 34 ARG HG2 . 16412 1 344 . 1 1 34 34 ARG HG3 H 1 0.930 0.014 . 2 . . . . 34 ARG HG3 . 16412 1 345 . 1 1 34 34 ARG CA C 13 58.240 0.060 . 1 . . . . 34 ARG CA . 16412 1 346 . 1 1 34 34 ARG CB C 13 29.296 0.003 . 1 . . . . 34 ARG CB . 16412 1 347 . 1 1 34 34 ARG CD C 13 43.187 0.162 . 1 . . . . 34 ARG CD . 16412 1 348 . 1 1 34 34 ARG CG C 13 28.371 0.096 . 1 . . . . 34 ARG CG . 16412 1 349 . 1 1 34 34 ARG N N 15 121.964 0.018 . 1 . . . . 34 ARG N . 16412 1 350 . 1 1 35 35 ASP H H 1 7.795 0.010 . 1 . . . . 35 ASP H . 16412 1 351 . 1 1 35 35 ASP HA H 1 4.947 0.014 . 1 . . . . 35 ASP HA . 16412 1 352 . 1 1 35 35 ASP HB2 H 1 2.762 0.005 . 2 . . . . 35 ASP HB2 . 16412 1 353 . 1 1 35 35 ASP HB3 H 1 2.073 0.011 . 2 . . . . 35 ASP HB3 . 16412 1 354 . 1 1 35 35 ASP CA C 13 52.707 0.065 . 1 . . . . 35 ASP CA . 16412 1 355 . 1 1 35 35 ASP CB C 13 42.673 0.138 . 1 . . . . 35 ASP CB . 16412 1 356 . 1 1 35 35 ASP N N 15 117.397 0.030 . 1 . . . . 35 ASP N . 16412 1 357 . 1 1 36 36 ALA H H 1 7.098 0.016 . 1 . . . . 36 ALA H . 16412 1 358 . 1 1 36 36 ALA HA H 1 3.525 0.008 . 1 . . . . 36 ALA HA . 16412 1 359 . 1 1 36 36 ALA HB1 H 1 0.615 0.009 . . . . . . 36 ALA QB . 16412 1 360 . 1 1 36 36 ALA HB2 H 1 0.615 0.009 . . . . . . 36 ALA QB . 16412 1 361 . 1 1 36 36 ALA HB3 H 1 0.615 0.009 . . . . . . 36 ALA QB . 16412 1 362 . 1 1 36 36 ALA CA C 13 56.798 0.083 . 1 . . . . 36 ALA CA . 16412 1 363 . 1 1 36 36 ALA CB C 13 16.015 0.034 . 1 . . . . 36 ALA CB . 16412 1 364 . 1 1 36 36 ALA N N 15 121.733 0.020 . 1 . . . . 36 ALA N . 16412 1 365 . 1 1 37 37 PRO HA H 1 4.047 0.012 . 1 . . . . 37 PRO HA . 16412 1 366 . 1 1 37 37 PRO HB2 H 1 2.287 0.011 . 2 . . . . 37 PRO HB2 . 16412 1 367 . 1 1 37 37 PRO HB3 H 1 1.750 0.011 . 2 . . . . 37 PRO HB3 . 16412 1 368 . 1 1 37 37 PRO HD2 H 1 3.444 0.007 . 2 . . . . 37 PRO QD . 16412 1 369 . 1 1 37 37 PRO HD3 H 1 3.444 0.007 . 2 . . . . 37 PRO QD . 16412 1 370 . 1 1 37 37 PRO HG2 H 1 1.995 0.006 . 2 . . . . 37 PRO HG2 . 16412 1 371 . 1 1 37 37 PRO HG3 H 1 1.773 0.005 . 2 . . . . 37 PRO HG3 . 16412 1 372 . 1 1 37 37 PRO CA C 13 66.706 0.033 . 1 . . . . 37 PRO CA . 16412 1 373 . 1 1 37 37 PRO CB C 13 32.101 0.207 . 1 . . . . 37 PRO CB . 16412 1 374 . 1 1 37 37 PRO CD C 13 50.338 0.116 . 1 . . . . 37 PRO CD . 16412 1 375 . 1 1 37 37 PRO CG C 13 27.537 0.097 . 1 . . . . 37 PRO CG . 16412 1 376 . 1 1 38 38 LYS H H 1 7.106 0.008 . 1 . . . . 38 LYS H . 16412 1 377 . 1 1 38 38 LYS HA H 1 4.046 0.013 . 1 . . . . 38 LYS HA . 16412 1 378 . 1 1 38 38 LYS HB2 H 1 1.742 0.015 . 2 . . . . 38 LYS QB . 16412 1 379 . 1 1 38 38 LYS HB3 H 1 1.742 0.015 . 2 . . . . 38 LYS QB . 16412 1 380 . 1 1 38 38 LYS HD2 H 1 1.617 0.004 . 2 . . . . 38 LYS QD . 16412 1 381 . 1 1 38 38 LYS HD3 H 1 1.617 0.004 . 2 . . . . 38 LYS QD . 16412 1 382 . 1 1 38 38 LYS HE2 H 1 2.874 0.005 . 2 . . . . 38 LYS QE . 16412 1 383 . 1 1 38 38 LYS HE3 H 1 2.874 0.005 . 2 . . . . 38 LYS QE . 16412 1 384 . 1 1 38 38 LYS HG2 H 1 1.402 0.012 . 2 . . . . 38 LYS HG2 . 16412 1 385 . 1 1 38 38 LYS CA C 13 58.600 0.000 . 1 . . . . 38 LYS CA . 16412 1 386 . 1 1 38 38 LYS CB C 13 31.883 0.105 . 1 . . . . 38 LYS CB . 16412 1 387 . 1 1 38 38 LYS CE C 13 41.853 0.050 . 1 . . . . 38 LYS CE . 16412 1 388 . 1 1 38 38 LYS CG C 13 23.722 0.093 . 1 . . . . 38 LYS CG . 16412 1 389 . 1 1 38 38 LYS N N 15 118.029 0.023 . 1 . . . . 38 LYS N . 16412 1 390 . 1 1 39 39 VAL H H 1 7.830 0.011 . 1 . . . . 39 VAL H . 16412 1 391 . 1 1 39 39 VAL HA H 1 3.260 0.010 . 1 . . . . 39 VAL HA . 16412 1 392 . 1 1 39 39 VAL HB H 1 2.112 0.018 . 1 . . . . 39 VAL HB . 16412 1 393 . 1 1 39 39 VAL HG11 H 1 0.878 0.010 . . . . . . 39 VAL QG1 . 16412 1 394 . 1 1 39 39 VAL HG12 H 1 0.878 0.010 . . . . . . 39 VAL QG1 . 16412 1 395 . 1 1 39 39 VAL HG13 H 1 0.878 0.010 . . . . . . 39 VAL QG1 . 16412 1 396 . 1 1 39 39 VAL HG21 H 1 0.527 0.008 . . . . . . 39 VAL QG2 . 16412 1 397 . 1 1 39 39 VAL HG22 H 1 0.527 0.008 . . . . . . 39 VAL QG2 . 16412 1 398 . 1 1 39 39 VAL HG23 H 1 0.527 0.008 . . . . . . 39 VAL QG2 . 16412 1 399 . 1 1 39 39 VAL CA C 13 66.309 0.047 . 1 . . . . 39 VAL CA . 16412 1 400 . 1 1 39 39 VAL CB C 13 31.463 0.091 . 1 . . . . 39 VAL CB . 16412 1 401 . 1 1 39 39 VAL CG1 C 13 22.459 0.032 . 2 . . . . 39 VAL CG1 . 16412 1 402 . 1 1 39 39 VAL CG2 C 13 22.495 0.016 . 2 . . . . 39 VAL CG2 . 16412 1 403 . 1 1 39 39 VAL N N 15 119.336 0.013 . 1 . . . . 39 VAL N . 16412 1 404 . 1 1 40 40 ALA H H 1 7.972 0.015 . 1 . . . . 40 ALA H . 16412 1 405 . 1 1 40 40 ALA HA H 1 3.583 0.013 . 1 . . . . 40 ALA HA . 16412 1 406 . 1 1 40 40 ALA HB1 H 1 0.791 0.015 . . . . . . 40 ALA QB . 16412 1 407 . 1 1 40 40 ALA HB2 H 1 0.791 0.015 . . . . . . 40 ALA QB . 16412 1 408 . 1 1 40 40 ALA HB3 H 1 0.791 0.015 . . . . . . 40 ALA QB . 16412 1 409 . 1 1 40 40 ALA CA C 13 55.544 0.045 . 1 . . . . 40 ALA CA . 16412 1 410 . 1 1 40 40 ALA CB C 13 17.718 0.023 . 1 . . . . 40 ALA CB . 16412 1 411 . 1 1 40 40 ALA N N 15 120.207 0.036 . 1 . . . . 40 ALA N . 16412 1 412 . 1 1 41 41 GLU H H 1 7.846 0.012 . 1 . . . . 41 GLU H . 16412 1 413 . 1 1 41 41 GLU HA H 1 4.029 0.006 . 1 . . . . 41 GLU HA . 16412 1 414 . 1 1 41 41 GLU HB2 H 1 2.122 0.015 . 2 . . . . 41 GLU QB . 16412 1 415 . 1 1 41 41 GLU HB3 H 1 2.122 0.015 . 2 . . . . 41 GLU QB . 16412 1 416 . 1 1 41 41 GLU HG2 H 1 2.293 0.022 . 2 . . . . 41 GLU HG2 . 16412 1 417 . 1 1 41 41 GLU HG3 H 1 2.228 0.025 . 2 . . . . 41 GLU HG3 . 16412 1 418 . 1 1 41 41 GLU CA C 13 59.446 0.000 . 1 . . . . 41 GLU CA . 16412 1 419 . 1 1 41 41 GLU CB C 13 29.590 0.075 . 1 . . . . 41 GLU CB . 16412 1 420 . 1 1 41 41 GLU CG C 13 36.120 0.147 . 1 . . . . 41 GLU CG . 16412 1 421 . 1 1 41 41 GLU N N 15 118.011 0.018 . 1 . . . . 41 GLU N . 16412 1 422 . 1 1 42 42 MET H H 1 8.570 0.009 . 1 . . . . 42 MET H . 16412 1 423 . 1 1 42 42 MET HA H 1 4.232 0.011 . 1 . . . . 42 MET HA . 16412 1 424 . 1 1 42 42 MET HB2 H 1 2.072 0.008 . 2 . . . . 42 MET HB2 . 16412 1 425 . 1 1 42 42 MET HB3 H 1 1.899 0.009 . 2 . . . . 42 MET HB3 . 16412 1 426 . 1 1 42 42 MET HE1 H 1 2.082 0.009 . . . . . . 42 MET QE . 16412 1 427 . 1 1 42 42 MET HE2 H 1 2.082 0.009 . . . . . . 42 MET QE . 16412 1 428 . 1 1 42 42 MET HE3 H 1 2.082 0.009 . . . . . . 42 MET QE . 16412 1 429 . 1 1 42 42 MET HG2 H 1 2.828 0.007 . 2 . . . . 42 MET HG2 . 16412 1 430 . 1 1 42 42 MET HG3 H 1 2.620 0.007 . 2 . . . . 42 MET HG3 . 16412 1 431 . 1 1 42 42 MET CA C 13 59.367 0.141 . 1 . . . . 42 MET CA . 16412 1 432 . 1 1 42 42 MET CB C 13 32.630 0.037 . 1 . . . . 42 MET CB . 16412 1 433 . 1 1 42 42 MET CE C 13 17.600 0.116 . 1 . . . . 42 MET CE . 16412 1 434 . 1 1 42 42 MET CG C 13 33.276 0.030 . 1 . . . . 42 MET CG . 16412 1 435 . 1 1 42 42 MET N N 15 119.313 0.032 . 1 . . . . 42 MET N . 16412 1 436 . 1 1 43 43 TRP H H 1 9.056 0.010 . 1 . . . . 43 TRP H . 16412 1 437 . 1 1 43 43 TRP HA H 1 4.182 0.006 . 1 . . . . 43 TRP HA . 16412 1 438 . 1 1 43 43 TRP HB2 H 1 3.969 0.014 . 2 . . . . 43 TRP HB2 . 16412 1 439 . 1 1 43 43 TRP HB3 H 1 3.536 0.011 . 2 . . . . 43 TRP HB3 . 16412 1 440 . 1 1 43 43 TRP HD1 H 1 7.077 0.006 . 1 . . . . 43 TRP HD1 . 16412 1 441 . 1 1 43 43 TRP HE1 H 1 9.834 0.005 . 1 . . . . 43 TRP HE1 . 16412 1 442 . 1 1 43 43 TRP HE3 H 1 7.831 0.009 . 1 . . . . 43 TRP HE3 . 16412 1 443 . 1 1 43 43 TRP HH2 H 1 6.903 0.007 . 1 . . . . 43 TRP HH2 . 16412 1 444 . 1 1 43 43 TRP HZ2 H 1 7.203 0.007 . 1 . . . . 43 TRP HZ2 . 16412 1 445 . 1 1 43 43 TRP HZ3 H 1 6.971 0.011 . 1 . . . . 43 TRP HZ3 . 16412 1 446 . 1 1 43 43 TRP CA C 13 62.919 0.071 . 1 . . . . 43 TRP CA . 16412 1 447 . 1 1 43 43 TRP CB C 13 28.959 0.028 . 1 . . . . 43 TRP CB . 16412 1 448 . 1 1 43 43 TRP N N 15 122.681 0.021 . 1 . . . . 43 TRP N . 16412 1 449 . 1 1 43 43 TRP NE1 N 15 129.962 0.070 . 1 . . . . 43 TRP NE1 . 16412 1 450 . 1 1 44 44 LYS H H 1 8.706 0.012 . 1 . . . . 44 LYS H . 16412 1 451 . 1 1 44 44 LYS HA H 1 3.443 0.006 . 1 . . . . 44 LYS HA . 16412 1 452 . 1 1 44 44 LYS HB2 H 1 2.219 0.009 . 2 . . . . 44 LYS HB2 . 16412 1 453 . 1 1 44 44 LYS HB3 H 1 1.803 0.010 . 2 . . . . 44 LYS HB3 . 16412 1 454 . 1 1 44 44 LYS HD2 H 1 1.639 0.009 . 2 . . . . 44 LYS QD . 16412 1 455 . 1 1 44 44 LYS HD3 H 1 1.639 0.009 . 2 . . . . 44 LYS QD . 16412 1 456 . 1 1 44 44 LYS HE2 H 1 2.761 0.007 . 2 . . . . 44 LYS HE2 . 16412 1 457 . 1 1 44 44 LYS HE3 H 1 2.873 0.005 . 2 . . . . 44 LYS HE3 . 16412 1 458 . 1 1 44 44 LYS HG2 H 1 1.244 0.014 . 2 . . . . 44 LYS HG2 . 16412 1 459 . 1 1 44 44 LYS HG3 H 1 1.136 0.015 . 2 . . . . 44 LYS HG3 . 16412 1 460 . 1 1 44 44 LYS CA C 13 59.256 0.000 . 1 . . . . 44 LYS CA . 16412 1 461 . 1 1 44 44 LYS CB C 13 31.756 0.089 . 1 . . . . 44 LYS CB . 16412 1 462 . 1 1 44 44 LYS CE C 13 41.960 0.106 . 1 . . . . 44 LYS CE . 16412 1 463 . 1 1 44 44 LYS CG C 13 24.408 0.166 . 1 . . . . 44 LYS CG . 16412 1 464 . 1 1 44 44 LYS N N 15 119.526 0.112 . 1 . . . . 44 LYS N . 16412 1 465 . 1 1 45 45 GLU H H 1 7.972 0.006 . 1 . . . . 45 GLU H . 16412 1 466 . 1 1 45 45 GLU HA H 1 3.742 0.003 . 1 . . . . 45 GLU HA . 16412 1 467 . 1 1 45 45 GLU HB2 H 1 2.160 0.013 . 2 . . . . 45 GLU HB2 . 16412 1 468 . 1 1 45 45 GLU HB3 H 1 2.052 0.004 . 2 . . . . 45 GLU HB3 . 16412 1 469 . 1 1 45 45 GLU HG2 H 1 2.459 0.003 . 2 . . . . 45 GLU HG2 . 16412 1 470 . 1 1 45 45 GLU HG3 H 1 2.197 0.004 . 2 . . . . 45 GLU HG3 . 16412 1 471 . 1 1 45 45 GLU CA C 13 59.731 0.000 . 1 . . . . 45 GLU CA . 16412 1 472 . 1 1 45 45 GLU CG C 13 36.361 0.020 . 1 . . . . 45 GLU CG . 16412 1 473 . 1 1 45 45 GLU N N 15 116.330 0.027 . 1 . . . . 45 GLU N . 16412 1 474 . 1 1 46 46 TYR H H 1 7.857 0.011 . 1 . . . . 46 TYR H . 16412 1 475 . 1 1 46 46 TYR HA H 1 3.717 0.008 . 1 . . . . 46 TYR HA . 16412 1 476 . 1 1 46 46 TYR HB2 H 1 2.976 0.025 . 2 . . . . 46 TYR HB2 . 16412 1 477 . 1 1 46 46 TYR HB3 H 1 2.948 0.010 . 2 . . . . 46 TYR HB3 . 16412 1 478 . 1 1 46 46 TYR HD1 H 1 6.687 0.012 . 3 . . . . 46 TYR QD . 16412 1 479 . 1 1 46 46 TYR HD2 H 1 6.687 0.012 . 3 . . . . 46 TYR QD . 16412 1 480 . 1 1 46 46 TYR HE1 H 1 6.462 0.004 . 3 . . . . 46 TYR QE . 16412 1 481 . 1 1 46 46 TYR HE2 H 1 6.462 0.004 . 3 . . . . 46 TYR QE . 16412 1 482 . 1 1 46 46 TYR CA C 13 62.121 0.034 . 1 . . . . 46 TYR CA . 16412 1 483 . 1 1 46 46 TYR CB C 13 39.580 0.009 . 1 . . . . 46 TYR CB . 16412 1 484 . 1 1 46 46 TYR N N 15 119.321 0.028 . 1 . . . . 46 TYR N . 16412 1 485 . 1 1 47 47 MET H H 1 7.975 0.003 . 1 . . . . 47 MET H . 16412 1 486 . 1 1 47 47 MET HA H 1 3.812 0.005 . 1 . . . . 47 MET HA . 16412 1 487 . 1 1 47 47 MET HB2 H 1 1.464 0.012 . 2 . . . . 47 MET HB2 . 16412 1 488 . 1 1 47 47 MET HB3 H 1 1.245 0.005 . 2 . . . . 47 MET HB3 . 16412 1 489 . 1 1 47 47 MET HE1 H 1 1.945 0.008 . . . . . . 47 MET QE . 16412 1 490 . 1 1 47 47 MET HE2 H 1 1.945 0.008 . . . . . . 47 MET QE . 16412 1 491 . 1 1 47 47 MET HE3 H 1 1.945 0.008 . . . . . . 47 MET QE . 16412 1 492 . 1 1 47 47 MET HG2 H 1 1.931 0.011 . 2 . . . . 47 MET HG2 . 16412 1 493 . 1 1 47 47 MET HG3 H 1 0.401 0.012 . 2 . . . . 47 MET HG3 . 16412 1 494 . 1 1 47 47 MET CA C 13 55.036 0.021 . 1 . . . . 47 MET CA . 16412 1 495 . 1 1 47 47 MET CB C 13 31.480 0.024 . 1 . . . . 47 MET CB . 16412 1 496 . 1 1 47 47 MET CE C 13 17.375 0.017 . 1 . . . . 47 MET CE . 16412 1 497 . 1 1 47 47 MET CG C 13 31.214 0.022 . 1 . . . . 47 MET CG . 16412 1 498 . 1 1 47 47 MET N N 15 112.491 0.037 . 1 . . . . 47 MET N . 16412 1 499 . 1 1 48 48 LEU H H 1 7.399 0.009 . 1 . . . . 48 LEU H . 16412 1 500 . 1 1 48 48 LEU HA H 1 4.215 0.011 . 1 . . . . 48 LEU HA . 16412 1 501 . 1 1 48 48 LEU HB2 H 1 1.626 0.004 . 2 . . . . 48 LEU HB2 . 16412 1 502 . 1 1 48 48 LEU HB3 H 1 1.510 0.008 . 2 . . . . 48 LEU HB3 . 16412 1 503 . 1 1 48 48 LEU HD11 H 1 0.675 0.010 . . . . . . 48 LEU QD1 . 16412 1 504 . 1 1 48 48 LEU HD12 H 1 0.675 0.010 . . . . . . 48 LEU QD1 . 16412 1 505 . 1 1 48 48 LEU HD13 H 1 0.675 0.010 . . . . . . 48 LEU QD1 . 16412 1 506 . 1 1 48 48 LEU HD21 H 1 0.653 0.013 . . . . . . 48 LEU QD2 . 16412 1 507 . 1 1 48 48 LEU HD22 H 1 0.653 0.013 . . . . . . 48 LEU QD2 . 16412 1 508 . 1 1 48 48 LEU HD23 H 1 0.653 0.013 . . . . . . 48 LEU QD2 . 16412 1 509 . 1 1 48 48 LEU HG H 1 1.796 0.004 . 1 . . . . 48 LEU HG . 16412 1 510 . 1 1 48 48 LEU CA C 13 53.643 0.010 . 1 . . . . 48 LEU CA . 16412 1 511 . 1 1 48 48 LEU CB C 13 41.178 0.047 . 1 . . . . 48 LEU CB . 16412 1 512 . 1 1 48 48 LEU CD1 C 13 25.928 0.100 . 2 . . . . 48 LEU CD1 . 16412 1 513 . 1 1 48 48 LEU CD2 C 13 23.488 0.063 . 2 . . . . 48 LEU CD2 . 16412 1 514 . 1 1 48 48 LEU CG C 13 26.253 0.013 . 1 . . . . 48 LEU CG . 16412 1 515 . 1 1 48 48 LEU N N 15 114.630 0.006 . 1 . . . . 48 LEU N . 16412 1 516 . 1 1 49 49 ARG H H 1 7.344 0.006 . 1 . . . . 49 ARG H . 16412 1 517 . 1 1 49 49 ARG HA H 1 4.323 0.014 . 1 . . . . 49 ARG HA . 16412 1 518 . 1 1 49 49 ARG HB2 H 1 1.939 0.011 . 2 . . . . 49 ARG HB2 . 16412 1 519 . 1 1 49 49 ARG HB3 H 1 1.672 0.013 . 2 . . . . 49 ARG HB3 . 16412 1 520 . 1 1 49 49 ARG HD2 H 1 3.017 0.004 . 2 . . . . 49 ARG HD2 . 16412 1 521 . 1 1 49 49 ARG HD3 H 1 2.894 0.002 . 2 . . . . 49 ARG HD3 . 16412 1 522 . 1 1 49 49 ARG HG2 H 1 2.078 0.003 . 2 . . . . 49 ARG HG2 . 16412 1 523 . 1 1 49 49 ARG HG3 H 1 1.567 0.006 . 2 . . . . 49 ARG HG3 . 16412 1 524 . 1 1 49 49 ARG CA C 13 55.370 0.144 . 1 . . . . 49 ARG CA . 16412 1 525 . 1 1 49 49 ARG CB C 13 29.796 0.202 . 1 . . . . 49 ARG CB . 16412 1 526 . 1 1 49 49 ARG CD C 13 43.661 0.180 . 1 . . . . 49 ARG CD . 16412 1 527 . 1 1 49 49 ARG CG C 13 27.172 0.076 . 1 . . . . 49 ARG CG . 16412 1 528 . 1 1 49 49 ARG N N 15 124.982 0.010 . 1 . . . . 49 ARG N . 16412 1 529 . 1 1 50 50 PRO HA H 1 4.464 0.004 . 1 . . . . 50 PRO HA . 16412 1 530 . 1 1 50 50 PRO HB2 H 1 2.282 0.007 . 2 . . . . 50 PRO HB2 . 16412 1 531 . 1 1 50 50 PRO HB3 H 1 1.929 0.010 . 2 . . . . 50 PRO HB3 . 16412 1 532 . 1 1 50 50 PRO HD2 H 1 4.077 0.004 . 2 . . . . 50 PRO HD2 . 16412 1 533 . 1 1 50 50 PRO HD3 H 1 3.835 0.003 . 2 . . . . 50 PRO HD3 . 16412 1 534 . 1 1 50 50 PRO HG2 H 1 2.003 0.014 . 2 . . . . 50 PRO HG2 . 16412 1 535 . 1 1 50 50 PRO CA C 13 64.137 0.016 . 1 . . . . 50 PRO CA . 16412 1 536 . 1 1 50 50 PRO CB C 13 31.976 0.132 . 1 . . . . 50 PRO CB . 16412 1 537 . 1 1 50 50 PRO CD C 13 51.483 0.188 . 1 . . . . 50 PRO CD . 16412 1 538 . 1 1 50 50 PRO CG C 13 27.517 0.038 . 1 . . . . 50 PRO CG . 16412 1 539 . 1 1 51 51 SER H H 1 7.150 0.004 . 1 . . . . 51 SER H . 16412 1 540 . 1 1 51 51 SER HA H 1 4.216 0.003 . 1 . . . . 51 SER HA . 16412 1 541 . 1 1 51 51 SER HB2 H 1 4.043 0.008 . 2 . . . . 51 SER HB2 . 16412 1 542 . 1 1 51 51 SER HB3 H 1 3.718 0.002 . 2 . . . . 51 SER HB3 . 16412 1 543 . 1 1 51 51 SER CA C 13 57.767 0.051 . 1 . . . . 51 SER CA . 16412 1 544 . 1 1 51 51 SER CB C 13 62.772 0.094 . 1 . . . . 51 SER CB . 16412 1 545 . 1 1 52 52 VAL H H 1 6.843 0.010 . 1 . . . . 52 VAL H . 16412 1 546 . 1 1 52 52 VAL HA H 1 3.888 0.006 . 1 . . . . 52 VAL HA . 16412 1 547 . 1 1 52 52 VAL HB H 1 1.605 0.006 . 1 . . . . 52 VAL HB . 16412 1 548 . 1 1 52 52 VAL HG11 H 1 0.624 0.006 . . . . . . 52 VAL QG1 . 16412 1 549 . 1 1 52 52 VAL HG12 H 1 0.624 0.006 . . . . . . 52 VAL QG1 . 16412 1 550 . 1 1 52 52 VAL HG13 H 1 0.624 0.006 . . . . . . 52 VAL QG1 . 16412 1 551 . 1 1 52 52 VAL HG21 H 1 0.399 0.006 . . . . . . 52 VAL QG2 . 16412 1 552 . 1 1 52 52 VAL HG22 H 1 0.399 0.006 . . . . . . 52 VAL QG2 . 16412 1 553 . 1 1 52 52 VAL HG23 H 1 0.399 0.006 . . . . . . 52 VAL QG2 . 16412 1 554 . 1 1 52 52 VAL CA C 13 62.145 0.076 . 1 . . . . 52 VAL CA . 16412 1 555 . 1 1 52 52 VAL CB C 13 31.740 0.044 . 1 . . . . 52 VAL CB . 16412 1 556 . 1 1 52 52 VAL CG1 C 13 21.576 0.077 . 2 . . . . 52 VAL CG1 . 16412 1 557 . 1 1 52 52 VAL CG2 C 13 21.868 0.197 . 2 . . . . 52 VAL CG2 . 16412 1 558 . 1 1 52 52 VAL N N 15 125.280 0.018 . 1 . . . . 52 VAL N . 16412 1 559 . 1 1 53 53 ASN H H 1 8.382 0.015 . 1 . . . . 53 ASN H . 16412 1 560 . 1 1 53 53 ASN HA H 1 4.581 0.003 . 1 . . . . 53 ASN HA . 16412 1 561 . 1 1 53 53 ASN HB2 H 1 3.240 0.008 . 2 . . . . 53 ASN HB2 . 16412 1 562 . 1 1 53 53 ASN HB3 H 1 2.804 0.006 . 2 . . . . 53 ASN HB3 . 16412 1 563 . 1 1 53 53 ASN HD21 H 1 7.660 0.006 . 2 . . . . 53 ASN HD21 . 16412 1 564 . 1 1 53 53 ASN HD22 H 1 6.906 0.008 . 2 . . . . 53 ASN HD22 . 16412 1 565 . 1 1 53 53 ASN CA C 13 53.348 0.053 . 1 . . . . 53 ASN CA . 16412 1 566 . 1 1 53 53 ASN CB C 13 39.038 0.049 . 1 . . . . 53 ASN CB . 16412 1 567 . 1 1 53 53 ASN N N 15 125.354 0.007 . 1 . . . . 53 ASN N . 16412 1 568 . 1 1 53 53 ASN ND2 N 15 112.820 0.177 . 1 . . . . 53 ASN ND2 . 16412 1 569 . 1 1 54 54 THR H H 1 8.381 0.009 . 1 . . . . 54 THR H . 16412 1 570 . 1 1 54 54 THR HA H 1 3.784 0.005 . 1 . . . . 54 THR HA . 16412 1 571 . 1 1 54 54 THR HB H 1 3.994 0.003 . 1 . . . . 54 THR HB . 16412 1 572 . 1 1 54 54 THR HG21 H 1 1.409 0.010 . . . . . . 54 THR QG2 . 16412 1 573 . 1 1 54 54 THR HG22 H 1 1.409 0.010 . . . . . . 54 THR QG2 . 16412 1 574 . 1 1 54 54 THR HG23 H 1 1.409 0.010 . . . . . . 54 THR QG2 . 16412 1 575 . 1 1 54 54 THR CA C 13 66.498 0.023 . 1 . . . . 54 THR CA . 16412 1 576 . 1 1 54 54 THR CB C 13 68.750 0.062 . 1 . . . . 54 THR CB . 16412 1 577 . 1 1 54 54 THR CG2 C 13 23.632 0.019 . 1 . . . . 54 THR CG2 . 16412 1 578 . 1 1 54 54 THR N N 15 112.368 0.023 . 1 . . . . 54 THR N . 16412 1 579 . 1 1 55 55 ARG H H 1 8.021 0.010 . 1 . . . . 55 ARG H . 16412 1 580 . 1 1 55 55 ARG HA H 1 3.801 0.010 . 1 . . . . 55 ARG HA . 16412 1 581 . 1 1 55 55 ARG HB2 H 1 1.839 0.003 . 2 . . . . 55 ARG QB . 16412 1 582 . 1 1 55 55 ARG HB3 H 1 1.839 0.003 . 2 . . . . 55 ARG QB . 16412 1 583 . 1 1 55 55 ARG HD2 H 1 3.189 0.014 . 2 . . . . 55 ARG QD . 16412 1 584 . 1 1 55 55 ARG HD3 H 1 3.189 0.014 . 2 . . . . 55 ARG QD . 16412 1 585 . 1 1 55 55 ARG HG2 H 1 1.632 0.017 . 2 . . . . 55 ARG HG2 . 16412 1 586 . 1 1 55 55 ARG HG3 H 1 1.499 0.004 . 2 . . . . 55 ARG HG3 . 16412 1 587 . 1 1 55 55 ARG CA C 13 59.255 0.000 . 1 . . . . 55 ARG CA . 16412 1 588 . 1 1 55 55 ARG CB C 13 29.173 0.047 . 1 . . . . 55 ARG CB . 16412 1 589 . 1 1 55 55 ARG CD C 13 43.140 0.098 . 1 . . . . 55 ARG CD . 16412 1 590 . 1 1 55 55 ARG CG C 13 27.717 0.144 . 1 . . . . 55 ARG CG . 16412 1 591 . 1 1 55 55 ARG N N 15 121.223 0.025 . 1 . . . . 55 ARG N . 16412 1 592 . 1 1 56 56 ARG H H 1 7.905 0.002 . 1 . . . . 56 ARG H . 16412 1 593 . 1 1 56 56 ARG HA H 1 3.964 0.013 . 1 . . . . 56 ARG HA . 16412 1 594 . 1 1 56 56 ARG HB2 H 1 2.025 0.011 . 2 . . . . 56 ARG QB . 16412 1 595 . 1 1 56 56 ARG HB3 H 1 2.025 0.011 . 2 . . . . 56 ARG QB . 16412 1 596 . 1 1 56 56 ARG HD2 H 1 3.344 0.003 . 2 . . . . 56 ARG QD . 16412 1 597 . 1 1 56 56 ARG HD3 H 1 3.344 0.003 . 2 . . . . 56 ARG QD . 16412 1 598 . 1 1 56 56 ARG HG2 H 1 1.926 0.009 . 2 . . . . 56 ARG HG2 . 16412 1 599 . 1 1 56 56 ARG HG3 H 1 1.608 0.011 . 2 . . . . 56 ARG HG3 . 16412 1 600 . 1 1 56 56 ARG CA C 13 59.270 0.195 . 1 . . . . 56 ARG CA . 16412 1 601 . 1 1 56 56 ARG CD C 13 43.130 0.122 . 1 . . . . 56 ARG CD . 16412 1 602 . 1 1 56 56 ARG CG C 13 27.840 0.235 . 1 . . . . 56 ARG CG . 16412 1 603 . 1 1 56 56 ARG N N 15 118.440 0.018 . 1 . . . . 56 ARG N . 16412 1 604 . 1 1 57 57 LYS H H 1 7.968 0.013 . 1 . . . . 57 LYS H . 16412 1 605 . 1 1 57 57 LYS HA H 1 4.175 0.015 . 1 . . . . 57 LYS HA . 16412 1 606 . 1 1 57 57 LYS HB2 H 1 2.149 0.007 . 2 . . . . 57 LYS HB2 . 16412 1 607 . 1 1 57 57 LYS HB3 H 1 1.644 0.012 . 2 . . . . 57 LYS HB3 . 16412 1 608 . 1 1 57 57 LYS HD2 H 1 1.436 0.010 . 2 . . . . 57 LYS QD . 16412 1 609 . 1 1 57 57 LYS HD3 H 1 1.436 0.010 . 2 . . . . 57 LYS QD . 16412 1 610 . 1 1 57 57 LYS HE2 H 1 3.013 0.004 . 2 . . . . 57 LYS HE2 . 16412 1 611 . 1 1 57 57 LYS HE3 H 1 2.623 0.003 . 2 . . . . 57 LYS HE3 . 16412 1 612 . 1 1 57 57 LYS HG2 H 1 1.586 0.005 . 2 . . . . 57 LYS HG2 . 16412 1 613 . 1 1 57 57 LYS HG3 H 1 1.167 0.003 . 2 . . . . 57 LYS HG3 . 16412 1 614 . 1 1 57 57 LYS CA C 13 59.519 0.019 . 1 . . . . 57 LYS CA . 16412 1 615 . 1 1 57 57 LYS CB C 13 33.035 0.080 . 1 . . . . 57 LYS CB . 16412 1 616 . 1 1 57 57 LYS CD C 13 29.626 0.061 . 1 . . . . 57 LYS CD . 16412 1 617 . 1 1 57 57 LYS CE C 13 43.060 0.092 . 1 . . . . 57 LYS CE . 16412 1 618 . 1 1 57 57 LYS CG C 13 27.739 0.021 . 1 . . . . 57 LYS CG . 16412 1 619 . 1 1 57 57 LYS N N 15 119.655 0.016 . 1 . . . . 57 LYS N . 16412 1 620 . 1 1 58 58 LEU H H 1 8.174 0.017 . 1 . . . . 58 LEU H . 16412 1 621 . 1 1 58 58 LEU HA H 1 3.897 0.010 . 1 . . . . 58 LEU HA . 16412 1 622 . 1 1 58 58 LEU HB2 H 1 1.956 0.014 . 2 . . . . 58 LEU HB2 . 16412 1 623 . 1 1 58 58 LEU HB3 H 1 1.167 0.012 . 2 . . . . 58 LEU HB3 . 16412 1 624 . 1 1 58 58 LEU HD11 H 1 0.797 0.009 . . . . . . 58 LEU QD1 . 16412 1 625 . 1 1 58 58 LEU HD12 H 1 0.797 0.009 . . . . . . 58 LEU QD1 . 16412 1 626 . 1 1 58 58 LEU HD13 H 1 0.797 0.009 . . . . . . 58 LEU QD1 . 16412 1 627 . 1 1 58 58 LEU HD21 H 1 0.588 0.008 . . . . . . 58 LEU QD2 . 16412 1 628 . 1 1 58 58 LEU HD22 H 1 0.588 0.008 . . . . . . 58 LEU QD2 . 16412 1 629 . 1 1 58 58 LEU HD23 H 1 0.588 0.008 . . . . . . 58 LEU QD2 . 16412 1 630 . 1 1 58 58 LEU CA C 13 58.289 0.117 . 1 . . . . 58 LEU CA . 16412 1 631 . 1 1 58 58 LEU CB C 13 40.593 0.116 . 1 . . . . 58 LEU CB . 16412 1 632 . 1 1 58 58 LEU CD1 C 13 25.872 0.024 . 2 . . . . 58 LEU CD1 . 16412 1 633 . 1 1 58 58 LEU CD2 C 13 22.524 0.106 . 2 . . . . 58 LEU CD2 . 16412 1 634 . 1 1 58 58 LEU N N 15 121.513 0.121 . 1 . . . . 58 LEU N . 16412 1 635 . 1 1 59 59 LEU H H 1 7.611 0.014 . 1 . . . . 59 LEU H . 16412 1 636 . 1 1 59 59 LEU HA H 1 3.931 0.022 . 1 . . . . 59 LEU HA . 16412 1 637 . 1 1 59 59 LEU HB2 H 1 2.036 0.007 . 2 . . . . 59 LEU HB2 . 16412 1 638 . 1 1 59 59 LEU HB3 H 1 1.275 0.014 . 2 . . . . 59 LEU HB3 . 16412 1 639 . 1 1 59 59 LEU HD11 H 1 0.780 0.010 . . . . . . 59 LEU QD1 . 16412 1 640 . 1 1 59 59 LEU HD12 H 1 0.780 0.010 . . . . . . 59 LEU QD1 . 16412 1 641 . 1 1 59 59 LEU HD13 H 1 0.780 0.010 . . . . . . 59 LEU QD1 . 16412 1 642 . 1 1 59 59 LEU HD21 H 1 0.674 0.009 . . . . . . 59 LEU QD2 . 16412 1 643 . 1 1 59 59 LEU HD22 H 1 0.674 0.009 . . . . . . 59 LEU QD2 . 16412 1 644 . 1 1 59 59 LEU HD23 H 1 0.674 0.009 . . . . . . 59 LEU QD2 . 16412 1 645 . 1 1 59 59 LEU HG H 1 1.912 0.006 . 1 . . . . 59 LEU HG . 16412 1 646 . 1 1 59 59 LEU CB C 13 39.965 0.093 . 1 . . . . 59 LEU CB . 16412 1 647 . 1 1 59 59 LEU CD1 C 13 21.989 0.023 . 2 . . . . 59 LEU CD1 . 16412 1 648 . 1 1 59 59 LEU CD2 C 13 25.972 0.000 . 2 . . . . 59 LEU CD2 . 16412 1 649 . 1 1 59 59 LEU N N 15 116.268 0.023 . 1 . . . . 59 LEU N . 16412 1 650 . 1 1 60 60 GLY H H 1 8.385 0.014 . 1 . . . . 60 GLY H . 16412 1 651 . 1 1 60 60 GLY HA2 H 1 4.238 0.010 . 2 . . . . 60 GLY HA2 . 16412 1 652 . 1 1 60 60 GLY HA3 H 1 3.738 0.009 . 2 . . . . 60 GLY HA3 . 16412 1 653 . 1 1 60 60 GLY CA C 13 47.477 0.066 . 1 . . . . 60 GLY CA . 16412 1 654 . 1 1 60 60 GLY N N 15 106.633 0.014 . 1 . . . . 60 GLY N . 16412 1 655 . 1 1 61 61 LEU H H 1 8.598 0.021 . 1 . . . . 61 LEU H . 16412 1 656 . 1 1 61 61 LEU HA H 1 4.598 0.004 . 1 . . . . 61 LEU HA . 16412 1 657 . 1 1 61 61 LEU HB2 H 1 2.676 0.015 . 2 . . . . 61 LEU HB2 . 16412 1 658 . 1 1 61 61 LEU HB3 H 1 1.493 0.006 . 2 . . . . 61 LEU HB3 . 16412 1 659 . 1 1 61 61 LEU HD11 H 1 1.102 0.013 . . . . . . 61 LEU QD1 . 16412 1 660 . 1 1 61 61 LEU HD12 H 1 1.102 0.013 . . . . . . 61 LEU QD1 . 16412 1 661 . 1 1 61 61 LEU HD13 H 1 1.102 0.013 . . . . . . 61 LEU QD1 . 16412 1 662 . 1 1 61 61 LEU HD21 H 1 1.041 0.006 . . . . . . 61 LEU QD2 . 16412 1 663 . 1 1 61 61 LEU HD22 H 1 1.041 0.006 . . . . . . 61 LEU QD2 . 16412 1 664 . 1 1 61 61 LEU HD23 H 1 1.041 0.006 . . . . . . 61 LEU QD2 . 16412 1 665 . 1 1 61 61 LEU HG H 1 1.746 0.007 . 1 . . . . 61 LEU HG . 16412 1 666 . 1 1 61 61 LEU CA C 13 58.524 0.048 . 1 . . . . 61 LEU CA . 16412 1 667 . 1 1 61 61 LEU CB C 13 41.187 0.042 . 1 . . . . 61 LEU CB . 16412 1 668 . 1 1 61 61 LEU CD1 C 13 24.060 0.020 . 2 . . . . 61 LEU CD1 . 16412 1 669 . 1 1 61 61 LEU CD2 C 13 26.422 0.083 . 2 . . . . 61 LEU CD2 . 16412 1 670 . 1 1 61 61 LEU CG C 13 26.835 0.000 . 1 . . . . 61 LEU CG . 16412 1 671 . 1 1 61 61 LEU N N 15 127.415 0.008 . 1 . . . . 61 LEU N . 16412 1 672 . 1 1 62 62 TYR H H 1 8.559 0.002 . 1 . . . . 62 TYR H . 16412 1 673 . 1 1 62 62 TYR HA H 1 4.562 0.007 . 1 . . . . 62 TYR HA . 16412 1 674 . 1 1 62 62 TYR HB2 H 1 3.315 0.005 . 2 . . . . 62 TYR QB . 16412 1 675 . 1 1 62 62 TYR HB3 H 1 3.315 0.005 . 2 . . . . 62 TYR QB . 16412 1 676 . 1 1 62 62 TYR HD1 H 1 6.733 0.014 . 3 . . . . 62 TYR QD . 16412 1 677 . 1 1 62 62 TYR HD2 H 1 6.733 0.014 . 3 . . . . 62 TYR QD . 16412 1 678 . 1 1 62 62 TYR HE1 H 1 6.821 0.008 . 3 . . . . 62 TYR QE . 16412 1 679 . 1 1 62 62 TYR HE2 H 1 6.821 0.008 . 3 . . . . 62 TYR QE . 16412 1 680 . 1 1 62 62 TYR CA C 13 57.054 0.000 . 1 . . . . 62 TYR CA . 16412 1 681 . 1 1 62 62 TYR CB C 13 35.870 0.026 . 1 . . . . 62 TYR CB . 16412 1 682 . 1 1 62 62 TYR N N 15 120.892 0.014 . 1 . . . . 62 TYR N . 16412 1 683 . 1 1 63 63 LEU H H 1 8.856 0.004 . 1 . . . . 63 LEU H . 16412 1 684 . 1 1 63 63 LEU HA H 1 4.117 0.008 . 1 . . . . 63 LEU HA . 16412 1 685 . 1 1 63 63 LEU HB2 H 1 2.176 0.015 . 2 . . . . 63 LEU HB2 . 16412 1 686 . 1 1 63 63 LEU HB3 H 1 1.563 0.012 . 2 . . . . 63 LEU HB3 . 16412 1 687 . 1 1 63 63 LEU HD11 H 1 1.033 0.007 . . . . . . 63 LEU QD1 . 16412 1 688 . 1 1 63 63 LEU HD12 H 1 1.033 0.007 . . . . . . 63 LEU QD1 . 16412 1 689 . 1 1 63 63 LEU HD13 H 1 1.033 0.007 . . . . . . 63 LEU QD1 . 16412 1 690 . 1 1 63 63 LEU HD21 H 1 0.983 0.004 . . . . . . 63 LEU QD2 . 16412 1 691 . 1 1 63 63 LEU HD22 H 1 0.983 0.004 . . . . . . 63 LEU QD2 . 16412 1 692 . 1 1 63 63 LEU HD23 H 1 0.983 0.004 . . . . . . 63 LEU QD2 . 16412 1 693 . 1 1 63 63 LEU HG H 1 1.419 0.010 . 1 . . . . 63 LEU HG . 16412 1 694 . 1 1 63 63 LEU CB C 13 41.350 0.118 . 1 . . . . 63 LEU CB . 16412 1 695 . 1 1 63 63 LEU CD1 C 13 26.469 0.086 . 2 . . . . 63 LEU CD1 . 16412 1 696 . 1 1 63 63 LEU CD2 C 13 24.312 0.062 . 2 . . . . 63 LEU CD2 . 16412 1 697 . 1 1 63 63 LEU CG C 13 27.117 0.022 . 1 . . . . 63 LEU CG . 16412 1 698 . 1 1 64 64 MET H H 1 7.425 0.007 . 1 . . . . 64 MET H . 16412 1 699 . 1 1 64 64 MET HA H 1 2.811 0.008 . 1 . . . . 64 MET HA . 16412 1 700 . 1 1 64 64 MET HB2 H 1 2.028 0.015 . 2 . . . . 64 MET HB2 . 16412 1 701 . 1 1 64 64 MET HB3 H 1 1.083 0.017 . 2 . . . . 64 MET HB3 . 16412 1 702 . 1 1 64 64 MET HE1 H 1 1.903 0.005 . . . . . . 64 MET QE . 16412 1 703 . 1 1 64 64 MET HE2 H 1 1.903 0.005 . . . . . . 64 MET QE . 16412 1 704 . 1 1 64 64 MET HE3 H 1 1.903 0.005 . . . . . . 64 MET QE . 16412 1 705 . 1 1 64 64 MET HG2 H 1 0.768 0.012 . 2 . . . . 64 MET HG2 . 16412 1 706 . 1 1 64 64 MET HG3 H 1 0.543 0.007 . 2 . . . . 64 MET HG3 . 16412 1 707 . 1 1 64 64 MET CA C 13 60.128 0.046 . 1 . . . . 64 MET CA . 16412 1 708 . 1 1 64 64 MET CB C 13 30.928 0.108 . 1 . . . . 64 MET CB . 16412 1 709 . 1 1 64 64 MET CE C 13 16.723 0.024 . 1 . . . . 64 MET CE . 16412 1 710 . 1 1 64 64 MET CG C 13 31.001 0.045 . 1 . . . . 64 MET CG . 16412 1 711 . 1 1 64 64 MET N N 15 118.068 0.024 . 1 . . . . 64 MET N . 16412 1 712 . 1 1 65 65 ASN H H 1 8.296 0.017 . 1 . . . . 65 ASN H . 16412 1 713 . 1 1 65 65 ASN HA H 1 4.050 0.019 . 1 . . . . 65 ASN HA . 16412 1 714 . 1 1 65 65 ASN HB2 H 1 3.043 0.028 . 2 . . . . 65 ASN HB2 . 16412 1 715 . 1 1 65 65 ASN HB3 H 1 2.469 0.027 . 2 . . . . 65 ASN HB3 . 16412 1 716 . 1 1 65 65 ASN CA C 13 56.940 0.086 . 1 . . . . 65 ASN CA . 16412 1 717 . 1 1 65 65 ASN CB C 13 39.530 0.026 . 1 . . . . 65 ASN CB . 16412 1 718 . 1 1 65 65 ASN N N 15 115.514 0.006 . 1 . . . . 65 ASN N . 16412 1 719 . 1 1 66 66 HIS H H 1 8.526 0.008 . 1 . . . . 66 HIS H . 16412 1 720 . 1 1 66 66 HIS HA H 1 3.791 0.013 . 1 . . . . 66 HIS HA . 16412 1 721 . 1 1 66 66 HIS HB2 H 1 3.097 0.018 . 2 . . . . 66 HIS HB2 . 16412 1 722 . 1 1 66 66 HIS HD2 H 1 6.976 0.001 . 1 . . . . 66 HIS HD2 . 16412 1 723 . 1 1 66 66 HIS CB C 13 31.514 0.045 . 1 . . . . 66 HIS CB . 16412 1 724 . 1 1 66 66 HIS N N 15 120.357 0.008 . 1 . . . . 66 HIS N . 16412 1 725 . 1 1 67 67 VAL H H 1 8.319 0.010 . 1 . . . . 67 VAL H . 16412 1 726 . 1 1 67 67 VAL HA H 1 3.510 0.008 . 1 . . . . 67 VAL HA . 16412 1 727 . 1 1 67 67 VAL HB H 1 1.815 0.003 . 1 . . . . 67 VAL HB . 16412 1 728 . 1 1 67 67 VAL HG11 H 1 0.220 0.014 . . . . . . 67 VAL QG1 . 16412 1 729 . 1 1 67 67 VAL HG12 H 1 0.220 0.014 . . . . . . 67 VAL QG1 . 16412 1 730 . 1 1 67 67 VAL HG13 H 1 0.220 0.014 . . . . . . 67 VAL QG1 . 16412 1 731 . 1 1 67 67 VAL HG21 H 1 0.896 0.010 . . . . . . 67 VAL QG2 . 16412 1 732 . 1 1 67 67 VAL HG22 H 1 0.896 0.010 . . . . . . 67 VAL QG2 . 16412 1 733 . 1 1 67 67 VAL HG23 H 1 0.896 0.010 . . . . . . 67 VAL QG2 . 16412 1 734 . 1 1 67 67 VAL CA C 13 66.471 0.106 . 1 . . . . 67 VAL CA . 16412 1 735 . 1 1 67 67 VAL CB C 13 31.216 0.146 . 1 . . . . 67 VAL CB . 16412 1 736 . 1 1 67 67 VAL CG1 C 13 20.651 0.030 . 2 . . . . 67 VAL CG1 . 16412 1 737 . 1 1 67 67 VAL CG2 C 13 24.425 0.042 . 2 . . . . 67 VAL CG2 . 16412 1 738 . 1 1 67 67 VAL N N 15 116.581 0.016 . 1 . . . . 67 VAL N . 16412 1 739 . 1 1 68 68 VAL H H 1 8.296 0.015 . 1 . . . . 68 VAL H . 16412 1 740 . 1 1 68 68 VAL HA H 1 3.752 0.023 . 1 . . . . 68 VAL HA . 16412 1 741 . 1 1 68 68 VAL HB H 1 1.813 0.002 . 1 . . . . 68 VAL HB . 16412 1 742 . 1 1 68 68 VAL HG11 H 1 0.848 0.011 . . . . . . 68 VAL QG1 . 16412 1 743 . 1 1 68 68 VAL HG12 H 1 0.848 0.011 . . . . . . 68 VAL QG1 . 16412 1 744 . 1 1 68 68 VAL HG13 H 1 0.848 0.011 . . . . . . 68 VAL QG1 . 16412 1 745 . 1 1 68 68 VAL HG21 H 1 0.756 0.008 . . . . . . 68 VAL QG2 . 16412 1 746 . 1 1 68 68 VAL HG22 H 1 0.756 0.008 . . . . . . 68 VAL QG2 . 16412 1 747 . 1 1 68 68 VAL HG23 H 1 0.756 0.008 . . . . . . 68 VAL QG2 . 16412 1 748 . 1 1 68 68 VAL CA C 13 65.851 0.097 . 1 . . . . 68 VAL CA . 16412 1 749 . 1 1 68 68 VAL CB C 13 30.840 0.120 . 1 . . . . 68 VAL CB . 16412 1 750 . 1 1 68 68 VAL CG2 C 13 23.336 0.000 . 2 . . . . 68 VAL CG2 . 16412 1 751 . 1 1 68 68 VAL N N 15 112.904 0.024 . 1 . . . . 68 VAL N . 16412 1 752 . 1 1 69 69 GLN H H 1 7.479 0.003 . 1 . . . . 69 GLN H . 16412 1 753 . 1 1 69 69 GLN HA H 1 3.870 0.005 . 1 . . . . 69 GLN HA . 16412 1 754 . 1 1 69 69 GLN HB2 H 1 1.938 0.000 . 2 . . . . 69 GLN HB2 . 16412 1 755 . 1 1 69 69 GLN HB3 H 1 1.776 0.000 . 2 . . . . 69 GLN HB3 . 16412 1 756 . 1 1 69 69 GLN HG2 H 1 2.544 0.052 . 2 . . . . 69 GLN HG2 . 16412 1 757 . 1 1 69 69 GLN HG3 H 1 1.817 0.024 . 2 . . . . 69 GLN HG3 . 16412 1 758 . 1 1 69 69 GLN CA C 13 60.491 0.093 . 1 . . . . 69 GLN CA . 16412 1 759 . 1 1 69 69 GLN CG C 13 34.861 0.104 . 1 . . . . 69 GLN CG . 16412 1 760 . 1 1 69 69 GLN N N 15 119.389 0.025 . 1 . . . . 69 GLN N . 16412 1 761 . 1 1 70 70 GLN H H 1 8.369 0.011 . 1 . . . . 70 GLN H . 16412 1 762 . 1 1 70 70 GLN HA H 1 3.972 0.000 . 1 . . . . 70 GLN HA . 16412 1 763 . 1 1 70 70 GLN HB2 H 1 1.922 0.000 . 2 . . . . 70 GLN QB . 16412 1 764 . 1 1 70 70 GLN HB3 H 1 1.922 0.000 . 2 . . . . 70 GLN QB . 16412 1 765 . 1 1 70 70 GLN HG2 H 1 2.414 0.009 . 2 . . . . 70 GLN HG2 . 16412 1 766 . 1 1 70 70 GLN HG3 H 1 2.112 0.025 . 2 . . . . 70 GLN HG3 . 16412 1 767 . 1 1 70 70 GLN CA C 13 58.172 0.000 . 1 . . . . 70 GLN CA . 16412 1 768 . 1 1 70 70 GLN N N 15 120.039 0.179 . 1 . . . . 70 GLN N . 16412 1 769 . 1 1 71 71 ALA H H 1 8.986 0.008 . 1 . . . . 71 ALA H . 16412 1 770 . 1 1 71 71 ALA HA H 1 3.818 0.005 . 1 . . . . 71 ALA HA . 16412 1 771 . 1 1 71 71 ALA HB1 H 1 1.668 0.008 . . . . . . 71 ALA QB . 16412 1 772 . 1 1 71 71 ALA HB2 H 1 1.668 0.008 . . . . . . 71 ALA QB . 16412 1 773 . 1 1 71 71 ALA HB3 H 1 1.668 0.008 . . . . . . 71 ALA QB . 16412 1 774 . 1 1 71 71 ALA CA C 13 55.575 0.075 . 1 . . . . 71 ALA CA . 16412 1 775 . 1 1 71 71 ALA CB C 13 18.541 0.054 . 1 . . . . 71 ALA CB . 16412 1 776 . 1 1 71 71 ALA N N 15 121.449 0.050 . 1 . . . . 71 ALA N . 16412 1 777 . 1 1 72 72 LYS H H 1 7.555 0.007 . 1 . . . . 72 LYS H . 16412 1 778 . 1 1 72 72 LYS HA H 1 4.016 0.008 . 1 . . . . 72 LYS HA . 16412 1 779 . 1 1 72 72 LYS HB2 H 1 1.866 0.007 . 2 . . . . 72 LYS HB2 . 16412 1 780 . 1 1 72 72 LYS HB3 H 1 1.776 0.013 . 2 . . . . 72 LYS HB3 . 16412 1 781 . 1 1 72 72 LYS HD2 H 1 1.546 0.006 . 2 . . . . 72 LYS QD . 16412 1 782 . 1 1 72 72 LYS HD3 H 1 1.546 0.006 . 2 . . . . 72 LYS QD . 16412 1 783 . 1 1 72 72 LYS HE2 H 1 2.992 0.009 . 2 . . . . 72 LYS QE . 16412 1 784 . 1 1 72 72 LYS HE3 H 1 2.992 0.009 . 2 . . . . 72 LYS QE . 16412 1 785 . 1 1 72 72 LYS HG2 H 1 1.401 0.015 . 2 . . . . 72 LYS HG2 . 16412 1 786 . 1 1 72 72 LYS HG3 H 1 1.287 0.013 . 2 . . . . 72 LYS HG3 . 16412 1 787 . 1 1 72 72 LYS CA C 13 59.455 0.007 . 1 . . . . 72 LYS CA . 16412 1 788 . 1 1 72 72 LYS CG C 13 25.042 0.023 . 1 . . . . 72 LYS CG . 16412 1 789 . 1 1 72 72 LYS N N 15 118.594 0.007 . 1 . . . . 72 LYS N . 16412 1 790 . 1 1 73 73 GLY H H 1 7.661 0.005 . 1 . . . . 73 GLY H . 16412 1 791 . 1 1 73 73 GLY HA2 H 1 4.011 0.006 . 2 . . . . 73 GLY HA2 . 16412 1 792 . 1 1 73 73 GLY HA3 H 1 3.844 0.007 . 2 . . . . 73 GLY HA3 . 16412 1 793 . 1 1 73 73 GLY CA C 13 46.986 0.071 . 1 . . . . 73 GLY CA . 16412 1 794 . 1 1 73 73 GLY N N 15 106.759 0.010 . 1 . . . . 73 GLY N . 16412 1 795 . 1 1 74 74 GLN H H 1 7.725 0.013 . 1 . . . . 74 GLN H . 16412 1 796 . 1 1 74 74 GLN HA H 1 4.294 0.005 . 1 . . . . 74 GLN HA . 16412 1 797 . 1 1 74 74 GLN HB2 H 1 2.375 0.013 . 2 . . . . 74 GLN HB2 . 16412 1 798 . 1 1 74 74 GLN HB3 H 1 1.678 0.010 . 2 . . . . 74 GLN HB3 . 16412 1 799 . 1 1 74 74 GLN HE21 H 1 7.341 0.005 . 2 . . . . 74 GLN HE21 . 16412 1 800 . 1 1 74 74 GLN HE22 H 1 6.699 0.003 . 2 . . . . 74 GLN HE22 . 16412 1 801 . 1 1 74 74 GLN HG2 H 1 2.420 0.010 . 2 . . . . 74 GLN HG2 . 16412 1 802 . 1 1 74 74 GLN HG3 H 1 2.325 0.011 . 2 . . . . 74 GLN HG3 . 16412 1 803 . 1 1 74 74 GLN CA C 13 55.221 0.000 . 1 . . . . 74 GLN CA . 16412 1 804 . 1 1 74 74 GLN CB C 13 29.555 0.167 . 1 . . . . 74 GLN CB . 16412 1 805 . 1 1 74 74 GLN CG C 13 33.712 0.063 . 1 . . . . 74 GLN CG . 16412 1 806 . 1 1 74 74 GLN N N 15 117.414 0.021 . 1 . . . . 74 GLN N . 16412 1 807 . 1 1 74 74 GLN NE2 N 15 110.991 0.019 . 1 . . . . 74 GLN NE2 . 16412 1 808 . 1 1 75 75 LYS H H 1 7.778 0.006 . 1 . . . . 75 LYS H . 16412 1 809 . 1 1 75 75 LYS HA H 1 3.924 0.013 . 1 . . . . 75 LYS HA . 16412 1 810 . 1 1 75 75 LYS HB2 H 1 2.110 0.012 . 2 . . . . 75 LYS HB2 . 16412 1 811 . 1 1 75 75 LYS HB3 H 1 1.931 0.007 . 2 . . . . 75 LYS HB3 . 16412 1 812 . 1 1 75 75 LYS HD2 H 1 1.695 0.000 . 2 . . . . 75 LYS QD . 16412 1 813 . 1 1 75 75 LYS HD3 H 1 1.695 0.000 . 2 . . . . 75 LYS QD . 16412 1 814 . 1 1 75 75 LYS HE2 H 1 2.997 0.000 . 2 . . . . 75 LYS QE . 16412 1 815 . 1 1 75 75 LYS HE3 H 1 2.997 0.000 . 2 . . . . 75 LYS QE . 16412 1 816 . 1 1 75 75 LYS HG2 H 1 1.322 0.008 . 2 . . . . 75 LYS QG . 16412 1 817 . 1 1 75 75 LYS HG3 H 1 1.322 0.008 . 2 . . . . 75 LYS QG . 16412 1 818 . 1 1 75 75 LYS CA C 13 57.547 0.000 . 1 . . . . 75 LYS CA . 16412 1 819 . 1 1 75 75 LYS CB C 13 28.809 0.139 . 1 . . . . 75 LYS CB . 16412 1 820 . 1 1 75 75 LYS CD C 13 29.320 0.000 . 1 . . . . 75 LYS CD . 16412 1 821 . 1 1 75 75 LYS N N 15 115.904 0.009 . 1 . . . . 75 LYS N . 16412 1 822 . 1 1 76 76 ILE H H 1 8.511 0.009 . 1 . . . . 76 ILE H . 16412 1 823 . 1 1 76 76 ILE HA H 1 4.361 0.005 . 1 . . . . 76 ILE HA . 16412 1 824 . 1 1 76 76 ILE HB H 1 1.857 0.005 . 1 . . . . 76 ILE HB . 16412 1 825 . 1 1 76 76 ILE HD11 H 1 0.763 0.007 . . . . . . 76 ILE QD1 . 16412 1 826 . 1 1 76 76 ILE HD12 H 1 0.763 0.007 . . . . . . 76 ILE QD1 . 16412 1 827 . 1 1 76 76 ILE HD13 H 1 0.763 0.007 . . . . . . 76 ILE QD1 . 16412 1 828 . 1 1 76 76 ILE HG12 H 1 1.459 0.007 . 2 . . . . 76 ILE HG12 . 16412 1 829 . 1 1 76 76 ILE HG13 H 1 0.828 0.013 . 2 . . . . 76 ILE HG13 . 16412 1 830 . 1 1 76 76 ILE HG21 H 1 1.041 0.007 . . . . . . 76 ILE QG2 . 16412 1 831 . 1 1 76 76 ILE HG22 H 1 1.041 0.007 . . . . . . 76 ILE QG2 . 16412 1 832 . 1 1 76 76 ILE HG23 H 1 1.041 0.007 . . . . . . 76 ILE QG2 . 16412 1 833 . 1 1 76 76 ILE CA C 13 59.876 0.016 . 1 . . . . 76 ILE CA . 16412 1 834 . 1 1 76 76 ILE CB C 13 37.406 0.000 . 1 . . . . 76 ILE CB . 16412 1 835 . 1 1 76 76 ILE CD1 C 13 13.723 0.015 . 1 . . . . 76 ILE CD1 . 16412 1 836 . 1 1 76 76 ILE CG1 C 13 26.704 0.136 . 1 . . . . 76 ILE CG1 . 16412 1 837 . 1 1 76 76 ILE CG2 C 13 19.079 0.046 . 1 . . . . 76 ILE CG2 . 16412 1 838 . 1 1 76 76 ILE N N 15 121.415 0.045 . 1 . . . . 76 ILE N . 16412 1 839 . 1 1 77 77 ILE H H 1 7.784 0.019 . 1 . . . . 77 ILE H . 16412 1 840 . 1 1 77 77 ILE HA H 1 4.172 0.007 . 1 . . . . 77 ILE HA . 16412 1 841 . 1 1 77 77 ILE HB H 1 1.927 0.003 . 1 . . . . 77 ILE HB . 16412 1 842 . 1 1 77 77 ILE HD11 H 1 0.857 0.013 . . . . . . 77 ILE QD1 . 16412 1 843 . 1 1 77 77 ILE HD12 H 1 0.857 0.013 . . . . . . 77 ILE QD1 . 16412 1 844 . 1 1 77 77 ILE HD13 H 1 0.857 0.013 . . . . . . 77 ILE QD1 . 16412 1 845 . 1 1 77 77 ILE HG12 H 1 1.353 0.009 . 2 . . . . 77 ILE HG12 . 16412 1 846 . 1 1 77 77 ILE HG13 H 1 1.275 0.004 . 2 . . . . 77 ILE HG13 . 16412 1 847 . 1 1 77 77 ILE HG21 H 1 0.910 0.004 . . . . . . 77 ILE QG2 . 16412 1 848 . 1 1 77 77 ILE HG22 H 1 0.910 0.004 . . . . . . 77 ILE QG2 . 16412 1 849 . 1 1 77 77 ILE HG23 H 1 0.910 0.004 . . . . . . 77 ILE QG2 . 16412 1 850 . 1 1 77 77 ILE CA C 13 62.843 0.055 . 1 . . . . 77 ILE CA . 16412 1 851 . 1 1 77 77 ILE CB C 13 38.730 0.028 . 1 . . . . 77 ILE CB . 16412 1 852 . 1 1 77 77 ILE CD1 C 13 13.606 0.018 . 1 . . . . 77 ILE CD1 . 16412 1 853 . 1 1 77 77 ILE CG1 C 13 27.359 0.023 . 1 . . . . 77 ILE CG1 . 16412 1 854 . 1 1 77 77 ILE CG2 C 13 17.749 0.020 . 1 . . . . 77 ILE CG2 . 16412 1 855 . 1 1 77 77 ILE N N 15 122.999 0.021 . 1 . . . . 77 ILE N . 16412 1 856 . 1 1 78 78 GLN H H 1 9.484 0.007 . 1 . . . . 78 GLN H . 16412 1 857 . 1 1 78 78 GLN HA H 1 4.128 0.004 . 1 . . . . 78 GLN HA . 16412 1 858 . 1 1 78 78 GLN HB2 H 1 1.854 0.006 . 2 . . . . 78 GLN HB2 . 16412 1 859 . 1 1 78 78 GLN HB3 H 1 1.665 0.006 . 2 . . . . 78 GLN HB3 . 16412 1 860 . 1 1 78 78 GLN HE21 H 1 7.682 0.019 . 2 . . . . 78 GLN HE21 . 16412 1 861 . 1 1 78 78 GLN HE22 H 1 6.962 0.015 . 2 . . . . 78 GLN HE22 . 16412 1 862 . 1 1 78 78 GLN HG2 H 1 2.652 0.004 . 2 . . . . 78 GLN HG2 . 16412 1 863 . 1 1 78 78 GLN HG3 H 1 2.491 0.006 . 2 . . . . 78 GLN HG3 . 16412 1 864 . 1 1 78 78 GLN CA C 13 60.276 0.019 . 1 . . . . 78 GLN CA . 16412 1 865 . 1 1 78 78 GLN CB C 13 28.371 0.080 . 1 . . . . 78 GLN CB . 16412 1 866 . 1 1 78 78 GLN CG C 13 34.666 0.065 . 1 . . . . 78 GLN CG . 16412 1 867 . 1 1 78 78 GLN N N 15 120.083 0.035 . 1 . . . . 78 GLN N . 16412 1 868 . 1 1 78 78 GLN NE2 N 15 110.932 0.020 . 1 . . . . 78 GLN NE2 . 16412 1 869 . 1 1 79 79 PHE H H 1 7.328 0.006 . 1 . . . . 79 PHE H . 16412 1 870 . 1 1 79 79 PHE HA H 1 4.366 0.017 . 1 . . . . 79 PHE HA . 16412 1 871 . 1 1 79 79 PHE HB2 H 1 3.037 0.010 . 2 . . . . 79 PHE HB2 . 16412 1 872 . 1 1 79 79 PHE HB3 H 1 2.868 0.011 . 2 . . . . 79 PHE HB3 . 16412 1 873 . 1 1 79 79 PHE HD1 H 1 7.186 0.020 . 3 . . . . 79 PHE QD . 16412 1 874 . 1 1 79 79 PHE HD2 H 1 7.186 0.020 . 3 . . . . 79 PHE QD . 16412 1 875 . 1 1 79 79 PHE HE1 H 1 6.908 0.014 . 3 . . . . 79 PHE QE . 16412 1 876 . 1 1 79 79 PHE HE2 H 1 6.908 0.014 . 3 . . . . 79 PHE QE . 16412 1 877 . 1 1 79 79 PHE CA C 13 62.663 0.128 . 1 . . . . 79 PHE CA . 16412 1 878 . 1 1 79 79 PHE CB C 13 39.481 0.154 . 1 . . . . 79 PHE CB . 16412 1 879 . 1 1 79 79 PHE N N 15 114.595 0.016 . 1 . . . . 79 PHE N . 16412 1 880 . 1 1 80 80 GLN H H 1 8.271 0.003 . 1 . . . . 80 GLN H . 16412 1 881 . 1 1 80 80 GLN HA H 1 4.056 0.011 . 1 . . . . 80 GLN HA . 16412 1 882 . 1 1 80 80 GLN HB2 H 1 2.421 0.019 . 2 . . . . 80 GLN HB2 . 16412 1 883 . 1 1 80 80 GLN HB3 H 1 2.368 0.007 . 2 . . . . 80 GLN HB3 . 16412 1 884 . 1 1 80 80 GLN HE21 H 1 7.846 0.006 . 2 . . . . 80 GLN HE21 . 16412 1 885 . 1 1 80 80 GLN HE22 H 1 6.813 0.006 . 2 . . . . 80 GLN HE22 . 16412 1 886 . 1 1 80 80 GLN HG2 H 1 2.375 0.015 . 2 . . . . 80 GLN HG2 . 16412 1 887 . 1 1 80 80 GLN HG3 H 1 2.303 0.010 . 2 . . . . 80 GLN HG3 . 16412 1 888 . 1 1 80 80 GLN CA C 13 59.448 0.000 . 1 . . . . 80 GLN CA . 16412 1 889 . 1 1 80 80 GLN CB C 13 29.017 0.000 . 1 . . . . 80 GLN CB . 16412 1 890 . 1 1 80 80 GLN CG C 13 35.240 0.000 . 1 . . . . 80 GLN CG . 16412 1 891 . 1 1 80 80 GLN N N 15 120.850 0.027 . 1 . . . . 80 GLN N . 16412 1 892 . 1 1 80 80 GLN NE2 N 15 110.130 0.025 . 1 . . . . 80 GLN NE2 . 16412 1 893 . 1 1 81 81 ASP H H 1 8.001 0.007 . 1 . . . . 81 ASP H . 16412 1 894 . 1 1 81 81 ASP HA H 1 4.418 0.023 . 1 . . . . 81 ASP HA . 16412 1 895 . 1 1 81 81 ASP HB2 H 1 2.646 0.004 . 2 . . . . 81 ASP QB . 16412 1 896 . 1 1 81 81 ASP HB3 H 1 2.646 0.004 . 2 . . . . 81 ASP QB . 16412 1 897 . 1 1 81 81 ASP CA C 13 57.188 0.012 . 1 . . . . 81 ASP CA . 16412 1 898 . 1 1 81 81 ASP CB C 13 41.193 0.031 . 1 . . . . 81 ASP CB . 16412 1 899 . 1 1 81 81 ASP N N 15 118.362 0.023 . 1 . . . . 81 ASP N . 16412 1 900 . 1 1 82 82 SER H H 1 8.149 0.004 . 1 . . . . 82 SER H . 16412 1 901 . 1 1 82 82 SER HA H 1 4.189 0.004 . 1 . . . . 82 SER HA . 16412 1 902 . 1 1 82 82 SER HB2 H 1 3.501 0.009 . 2 . . . . 82 SER QB . 16412 1 903 . 1 1 82 82 SER HB3 H 1 3.501 0.009 . 2 . . . . 82 SER QB . 16412 1 904 . 1 1 82 82 SER CA C 13 62.848 0.206 . 1 . . . . 82 SER CA . 16412 1 905 . 1 1 82 82 SER CB C 13 63.193 0.000 . 1 . . . . 82 SER CB . 16412 1 906 . 1 1 82 82 SER N N 15 113.904 0.021 . 1 . . . . 82 SER N . 16412 1 907 . 1 1 83 83 PHE H H 1 8.496 0.003 . 1 . . . . 83 PHE H . 16412 1 908 . 1 1 83 83 PHE HA H 1 4.346 0.009 . 1 . . . . 83 PHE HA . 16412 1 909 . 1 1 83 83 PHE HB2 H 1 3.227 0.006 . 2 . . . . 83 PHE HB2 . 16412 1 910 . 1 1 83 83 PHE HB3 H 1 2.792 0.013 . 2 . . . . 83 PHE HB3 . 16412 1 911 . 1 1 83 83 PHE HD1 H 1 6.976 0.012 . 3 . . . . 83 PHE QD . 16412 1 912 . 1 1 83 83 PHE HD2 H 1 6.976 0.012 . 3 . . . . 83 PHE QD . 16412 1 913 . 1 1 83 83 PHE HE1 H 1 6.606 0.010 . 3 . . . . 83 PHE QE . 16412 1 914 . 1 1 83 83 PHE HE2 H 1 6.606 0.010 . 3 . . . . 83 PHE QE . 16412 1 915 . 1 1 83 83 PHE HZ H 1 6.520 0.004 . 1 . . . . 83 PHE HZ . 16412 1 916 . 1 1 83 83 PHE CA C 13 62.449 0.068 . 1 . . . . 83 PHE CA . 16412 1 917 . 1 1 83 83 PHE CB C 13 37.631 0.086 . 1 . . . . 83 PHE CB . 16412 1 918 . 1 1 83 83 PHE N N 15 118.239 0.099 . 1 . . . . 83 PHE N . 16412 1 919 . 1 1 84 84 GLY H H 1 8.056 0.006 . 1 . . . . 84 GLY H . 16412 1 920 . 1 1 84 84 GLY HA2 H 1 3.913 0.014 . 2 . . . . 84 GLY HA2 . 16412 1 921 . 1 1 84 84 GLY HA3 H 1 2.821 0.004 . 2 . . . . 84 GLY HA3 . 16412 1 922 . 1 1 84 84 GLY CA C 13 47.554 0.043 . 1 . . . . 84 GLY CA . 16412 1 923 . 1 1 84 84 GLY N N 15 107.922 0.022 . 1 . . . . 84 GLY N . 16412 1 924 . 1 1 85 85 LYS H H 1 7.124 0.014 . 1 . . . . 85 LYS H . 16412 1 925 . 1 1 85 85 LYS HA H 1 4.094 0.018 . 1 . . . . 85 LYS HA . 16412 1 926 . 1 1 85 85 LYS HB2 H 1 1.954 0.005 . 2 . . . . 85 LYS HB2 . 16412 1 927 . 1 1 85 85 LYS HB3 H 1 1.905 0.000 . 2 . . . . 85 LYS HB3 . 16412 1 928 . 1 1 85 85 LYS HD2 H 1 1.644 0.021 . 2 . . . . 85 LYS QD . 16412 1 929 . 1 1 85 85 LYS HD3 H 1 1.644 0.021 . 2 . . . . 85 LYS QD . 16412 1 930 . 1 1 85 85 LYS HE2 H 1 2.940 0.006 . 2 . . . . 85 LYS QE . 16412 1 931 . 1 1 85 85 LYS HE3 H 1 2.940 0.006 . 2 . . . . 85 LYS QE . 16412 1 932 . 1 1 85 85 LYS HG2 H 1 1.647 0.012 . 2 . . . . 85 LYS HG2 . 16412 1 933 . 1 1 85 85 LYS HG3 H 1 1.488 0.008 . 2 . . . . 85 LYS HG3 . 16412 1 934 . 1 1 85 85 LYS CA C 13 57.958 0.150 . 1 . . . . 85 LYS CA . 16412 1 935 . 1 1 85 85 LYS CD C 13 26.819 0.157 . 1 . . . . 85 LYS CD . 16412 1 936 . 1 1 85 85 LYS CG C 13 25.647 0.147 . 1 . . . . 85 LYS CG . 16412 1 937 . 1 1 85 85 LYS N N 15 116.771 0.014 . 1 . . . . 85 LYS N . 16412 1 938 . 1 1 86 86 VAL H H 1 6.901 0.010 . 1 . . . . 86 VAL H . 16412 1 939 . 1 1 86 86 VAL HA H 1 5.024 0.010 . 1 . . . . 86 VAL HA . 16412 1 940 . 1 1 86 86 VAL HB H 1 2.574 0.009 . 1 . . . . 86 VAL HB . 16412 1 941 . 1 1 86 86 VAL HG11 H 1 1.331 0.006 . . . . . . 86 VAL QG1 . 16412 1 942 . 1 1 86 86 VAL HG12 H 1 1.331 0.006 . . . . . . 86 VAL QG1 . 16412 1 943 . 1 1 86 86 VAL HG13 H 1 1.331 0.006 . . . . . . 86 VAL QG1 . 16412 1 944 . 1 1 86 86 VAL HG21 H 1 0.956 0.009 . . . . . . 86 VAL QG2 . 16412 1 945 . 1 1 86 86 VAL HG22 H 1 0.956 0.009 . . . . . . 86 VAL QG2 . 16412 1 946 . 1 1 86 86 VAL HG23 H 1 0.956 0.009 . . . . . . 86 VAL QG2 . 16412 1 947 . 1 1 86 86 VAL CA C 13 60.286 0.021 . 1 . . . . 86 VAL CA . 16412 1 948 . 1 1 86 86 VAL CB C 13 33.294 0.028 . 1 . . . . 86 VAL CB . 16412 1 949 . 1 1 86 86 VAL CG1 C 13 18.791 0.057 . 2 . . . . 86 VAL CG1 . 16412 1 950 . 1 1 86 86 VAL CG2 C 13 21.881 0.157 . 2 . . . . 86 VAL CG2 . 16412 1 951 . 1 1 86 86 VAL N N 15 105.332 0.021 . 1 . . . . 86 VAL N . 16412 1 952 . 1 1 87 87 ALA H H 1 7.556 0.013 . 1 . . . . 87 ALA H . 16412 1 953 . 1 1 87 87 ALA HA H 1 3.949 0.006 . 1 . . . . 87 ALA HA . 16412 1 954 . 1 1 87 87 ALA HB1 H 1 1.134 0.005 . . . . . . 87 ALA QB . 16412 1 955 . 1 1 87 87 ALA HB2 H 1 1.134 0.005 . . . . . . 87 ALA QB . 16412 1 956 . 1 1 87 87 ALA HB3 H 1 1.134 0.005 . . . . . . 87 ALA QB . 16412 1 957 . 1 1 87 87 ALA CA C 13 56.850 0.003 . 1 . . . . 87 ALA CA . 16412 1 958 . 1 1 87 87 ALA CB C 13 18.633 0.045 . 1 . . . . 87 ALA CB . 16412 1 959 . 1 1 87 87 ALA N N 15 122.915 0.016 . 1 . . . . 87 ALA N . 16412 1 960 . 1 1 88 88 ALA H H 1 9.332 0.008 . 1 . . . . 88 ALA H . 16412 1 961 . 1 1 88 88 ALA HA H 1 3.798 0.006 . 1 . . . . 88 ALA HA . 16412 1 962 . 1 1 88 88 ALA HB1 H 1 1.266 0.005 . . . . . . 88 ALA QB . 16412 1 963 . 1 1 88 88 ALA HB2 H 1 1.266 0.005 . . . . . . 88 ALA QB . 16412 1 964 . 1 1 88 88 ALA HB3 H 1 1.266 0.005 . . . . . . 88 ALA QB . 16412 1 965 . 1 1 88 88 ALA CA C 13 56.779 0.114 . 1 . . . . 88 ALA CA . 16412 1 966 . 1 1 88 88 ALA CB C 13 17.222 0.099 . 1 . . . . 88 ALA CB . 16412 1 967 . 1 1 88 88 ALA N N 15 119.303 0.019 . 1 . . . . 88 ALA N . 16412 1 968 . 1 1 89 89 GLU H H 1 8.709 0.007 . 1 . . . . 89 GLU H . 16412 1 969 . 1 1 89 89 GLU HA H 1 3.949 0.018 . 1 . . . . 89 GLU HA . 16412 1 970 . 1 1 89 89 GLU HB2 H 1 2.053 0.017 . 2 . . . . 89 GLU HB2 . 16412 1 971 . 1 1 89 89 GLU HB3 H 1 1.892 0.014 . 2 . . . . 89 GLU HB3 . 16412 1 972 . 1 1 89 89 GLU HG2 H 1 1.992 0.003 . 2 . . . . 89 GLU HG2 . 16412 1 973 . 1 1 89 89 GLU HG3 H 1 2.209 0.014 . 2 . . . . 89 GLU HG3 . 16412 1 974 . 1 1 89 89 GLU CB C 13 29.520 0.016 . 1 . . . . 89 GLU CB . 16412 1 975 . 1 1 89 89 GLU CG C 13 35.752 0.155 . 1 . . . . 89 GLU CG . 16412 1 976 . 1 1 89 89 GLU N N 15 119.448 0.120 . 1 . . . . 89 GLU N . 16412 1 977 . 1 1 90 90 VAL H H 1 7.677 0.009 . 1 . . . . 90 VAL H . 16412 1 978 . 1 1 90 90 VAL HA H 1 3.447 0.011 . 1 . . . . 90 VAL HA . 16412 1 979 . 1 1 90 90 VAL HB H 1 2.033 0.008 . 1 . . . . 90 VAL HB . 16412 1 980 . 1 1 90 90 VAL HG11 H 1 1.000 0.008 . . . . . . 90 VAL QG1 . 16412 1 981 . 1 1 90 90 VAL HG12 H 1 1.000 0.008 . . . . . . 90 VAL QG1 . 16412 1 982 . 1 1 90 90 VAL HG13 H 1 1.000 0.008 . . . . . . 90 VAL QG1 . 16412 1 983 . 1 1 90 90 VAL HG21 H 1 0.418 0.004 . . . . . . 90 VAL QG2 . 16412 1 984 . 1 1 90 90 VAL HG22 H 1 0.418 0.004 . . . . . . 90 VAL QG2 . 16412 1 985 . 1 1 90 90 VAL HG23 H 1 0.418 0.004 . . . . . . 90 VAL QG2 . 16412 1 986 . 1 1 90 90 VAL CA C 13 66.679 0.048 . 1 . . . . 90 VAL CA . 16412 1 987 . 1 1 90 90 VAL CB C 13 32.046 0.016 . 1 . . . . 90 VAL CB . 16412 1 988 . 1 1 90 90 VAL CG1 C 13 22.984 0.018 . 2 . . . . 90 VAL CG1 . 16412 1 989 . 1 1 90 90 VAL CG2 C 13 22.221 0.012 . 2 . . . . 90 VAL CG2 . 16412 1 990 . 1 1 90 90 VAL N N 15 115.976 0.029 . 1 . . . . 90 VAL N . 16412 1 991 . 1 1 91 91 LEU H H 1 9.043 0.010 . 1 . . . . 91 LEU H . 16412 1 992 . 1 1 91 91 LEU HA H 1 3.829 0.012 . 1 . . . . 91 LEU HA . 16412 1 993 . 1 1 91 91 LEU HB2 H 1 1.912 0.020 . 2 . . . . 91 LEU HB2 . 16412 1 994 . 1 1 91 91 LEU HB3 H 1 1.266 0.003 . 2 . . . . 91 LEU HB3 . 16412 1 995 . 1 1 91 91 LEU HD11 H 1 0.898 0.008 . . . . . . 91 LEU QD1 . 16412 1 996 . 1 1 91 91 LEU HD12 H 1 0.898 0.008 . . . . . . 91 LEU QD1 . 16412 1 997 . 1 1 91 91 LEU HD13 H 1 0.898 0.008 . . . . . . 91 LEU QD1 . 16412 1 998 . 1 1 91 91 LEU HD21 H 1 0.809 0.014 . . . . . . 91 LEU QD2 . 16412 1 999 . 1 1 91 91 LEU HD22 H 1 0.809 0.014 . . . . . . 91 LEU QD2 . 16412 1 1000 . 1 1 91 91 LEU HD23 H 1 0.809 0.014 . . . . . . 91 LEU QD2 . 16412 1 1001 . 1 1 91 91 LEU HG H 1 1.936 0.009 . 1 . . . . 91 LEU HG . 16412 1 1002 . 1 1 91 91 LEU CA C 13 58.654 0.000 . 1 . . . . 91 LEU CA . 16412 1 1003 . 1 1 91 91 LEU CB C 13 39.611 0.165 . 1 . . . . 91 LEU CB . 16412 1 1004 . 1 1 91 91 LEU CD1 C 13 24.443 0.017 . 2 . . . . 91 LEU CD1 . 16412 1 1005 . 1 1 91 91 LEU CD2 C 13 24.342 0.046 . 2 . . . . 91 LEU CD2 . 16412 1 1006 . 1 1 91 91 LEU CG C 13 29.608 0.220 . 1 . . . . 91 LEU CG . 16412 1 1007 . 1 1 91 91 LEU N N 15 118.359 0.079 . 1 . . . . 91 LEU N . 16412 1 1008 . 1 1 92 92 GLY H H 1 8.097 0.003 . 1 . . . . 92 GLY H . 16412 1 1009 . 1 1 92 92 GLY HA2 H 1 3.862 0.006 . 2 . . . . 92 GLY HA2 . 16412 1 1010 . 1 1 92 92 GLY HA3 H 1 3.534 0.006 . 2 . . . . 92 GLY HA3 . 16412 1 1011 . 1 1 92 92 GLY CA C 13 47.176 0.078 . 1 . . . . 92 GLY CA . 16412 1 1012 . 1 1 92 92 GLY N N 15 103.586 0.033 . 1 . . . . 92 GLY N . 16412 1 1013 . 1 1 93 93 ARG H H 1 7.252 0.011 . 1 . . . . 93 ARG H . 16412 1 1014 . 1 1 93 93 ARG HA H 1 4.129 0.013 . 1 . . . . 93 ARG HA . 16412 1 1015 . 1 1 93 93 ARG HB2 H 1 1.839 0.003 . 2 . . . . 93 ARG HB2 . 16412 1 1016 . 1 1 93 93 ARG HB3 H 1 1.767 0.007 . 2 . . . . 93 ARG HB3 . 16412 1 1017 . 1 1 93 93 ARG HD2 H 1 3.155 0.011 . 2 . . . . 93 ARG QD . 16412 1 1018 . 1 1 93 93 ARG HD3 H 1 3.155 0.011 . 2 . . . . 93 ARG QD . 16412 1 1019 . 1 1 93 93 ARG HG2 H 1 1.664 0.010 . 2 . . . . 93 ARG HG2 . 16412 1 1020 . 1 1 93 93 ARG HG3 H 1 1.595 0.003 . 2 . . . . 93 ARG HG3 . 16412 1 1021 . 1 1 93 93 ARG CA C 13 58.134 0.019 . 1 . . . . 93 ARG CA . 16412 1 1022 . 1 1 93 93 ARG CB C 13 29.275 0.009 . 1 . . . . 93 ARG CB . 16412 1 1023 . 1 1 93 93 ARG CD C 13 41.928 0.074 . 1 . . . . 93 ARG CD . 16412 1 1024 . 1 1 93 93 ARG CG C 13 26.808 0.022 . 1 . . . . 93 ARG CG . 16412 1 1025 . 1 1 93 93 ARG N N 15 120.336 0.026 . 1 . . . . 93 ARG N . 16412 1 1026 . 1 1 94 94 ILE H H 1 8.419 0.007 . 1 . . . . 94 ILE H . 16412 1 1027 . 1 1 94 94 ILE HA H 1 3.784 0.010 . 1 . . . . 94 ILE HA . 16412 1 1028 . 1 1 94 94 ILE HB H 1 1.099 0.013 . 1 . . . . 94 ILE HB . 16412 1 1029 . 1 1 94 94 ILE HD11 H 1 0.532 0.003 . . . . . . 94 ILE QD1 . 16412 1 1030 . 1 1 94 94 ILE HD12 H 1 0.532 0.003 . . . . . . 94 ILE QD1 . 16412 1 1031 . 1 1 94 94 ILE HD13 H 1 0.532 0.003 . . . . . . 94 ILE QD1 . 16412 1 1032 . 1 1 94 94 ILE HG12 H 1 1.495 0.009 . 2 . . . . 94 ILE HG12 . 16412 1 1033 . 1 1 94 94 ILE HG13 H 1 0.717 0.014 . 2 . . . . 94 ILE HG13 . 16412 1 1034 . 1 1 94 94 ILE HG21 H 1 0.607 0.011 . . . . . . 94 ILE QG2 . 16412 1 1035 . 1 1 94 94 ILE HG22 H 1 0.607 0.011 . . . . . . 94 ILE QG2 . 16412 1 1036 . 1 1 94 94 ILE HG23 H 1 0.607 0.011 . . . . . . 94 ILE QG2 . 16412 1 1037 . 1 1 94 94 ILE CA C 13 64.796 0.059 . 1 . . . . 94 ILE CA . 16412 1 1038 . 1 1 94 94 ILE CB C 13 35.615 0.033 . 1 . . . . 94 ILE CB . 16412 1 1039 . 1 1 94 94 ILE CD1 C 13 13.981 0.023 . 1 . . . . 94 ILE CD1 . 16412 1 1040 . 1 1 94 94 ILE CG1 C 13 25.186 0.048 . 1 . . . . 94 ILE CG1 . 16412 1 1041 . 1 1 94 94 ILE CG2 C 13 17.780 0.085 . 1 . . . . 94 ILE CG2 . 16412 1 1042 . 1 1 94 94 ILE N N 15 114.194 0.025 . 1 . . . . 94 ILE N . 16412 1 1043 . 1 1 95 95 ASN H H 1 7.662 0.003 . 1 . . . . 95 ASN H . 16412 1 1044 . 1 1 95 95 ASN HA H 1 4.053 0.009 . 1 . . . . 95 ASN HA . 16412 1 1045 . 1 1 95 95 ASN HB2 H 1 2.690 0.006 . 2 . . . . 95 ASN QB . 16412 1 1046 . 1 1 95 95 ASN HB3 H 1 2.690 0.006 . 2 . . . . 95 ASN QB . 16412 1 1047 . 1 1 95 95 ASN HD21 H 1 7.643 0.009 . 2 . . . . 95 ASN HD21 . 16412 1 1048 . 1 1 95 95 ASN HD22 H 1 6.725 0.004 . 2 . . . . 95 ASN HD22 . 16412 1 1049 . 1 1 95 95 ASN CA C 13 56.947 0.096 . 1 . . . . 95 ASN CA . 16412 1 1050 . 1 1 95 95 ASN CB C 13 39.513 0.120 . 1 . . . . 95 ASN CB . 16412 1 1051 . 1 1 95 95 ASN N N 15 118.077 0.026 . 1 . . . . 95 ASN N . 16412 1 1052 . 1 1 95 95 ASN ND2 N 15 113.949 0.035 . 1 . . . . 95 ASN ND2 . 16412 1 1053 . 1 1 96 96 GLN H H 1 6.930 0.006 . 1 . . . . 96 GLN H . 16412 1 1054 . 1 1 96 96 GLN HA H 1 4.066 0.002 . 1 . . . . 96 GLN HA . 16412 1 1055 . 1 1 96 96 GLN HB2 H 1 2.176 0.015 . 2 . . . . 96 GLN QB . 16412 1 1056 . 1 1 96 96 GLN HB3 H 1 2.176 0.015 . 2 . . . . 96 GLN QB . 16412 1 1057 . 1 1 96 96 GLN HE21 H 1 7.410 0.010 . 2 . . . . 96 GLN HE21 . 16412 1 1058 . 1 1 96 96 GLN HE22 H 1 6.810 0.017 . 2 . . . . 96 GLN HE22 . 16412 1 1059 . 1 1 96 96 GLN HG2 H 1 2.585 0.002 . 2 . . . . 96 GLN HG2 . 16412 1 1060 . 1 1 96 96 GLN HG3 H 1 2.395 0.014 . 2 . . . . 96 GLN HG3 . 16412 1 1061 . 1 1 96 96 GLN CB C 13 28.947 0.100 . 1 . . . . 96 GLN CB . 16412 1 1062 . 1 1 96 96 GLN CG C 13 33.927 0.097 . 1 . . . . 96 GLN CG . 16412 1 1063 . 1 1 96 96 GLN N N 15 112.186 0.010 . 1 . . . . 96 GLN N . 16412 1 1064 . 1 1 96 96 GLN NE2 N 15 112.011 0.094 . 1 . . . . 96 GLN NE2 . 16412 1 1065 . 1 1 97 97 GLU H H 1 7.220 0.007 . 1 . . . . 97 GLU H . 16412 1 1066 . 1 1 97 97 GLU HA H 1 4.207 0.016 . 1 . . . . 97 GLU HA . 16412 1 1067 . 1 1 97 97 GLU HB2 H 1 2.062 0.012 . 2 . . . . 97 GLU HB2 . 16412 1 1068 . 1 1 97 97 GLU HB3 H 1 2.014 0.018 . 2 . . . . 97 GLU HB3 . 16412 1 1069 . 1 1 97 97 GLU HG2 H 1 2.293 0.006 . 2 . . . . 97 GLU HG2 . 16412 1 1070 . 1 1 97 97 GLU HG3 H 1 2.210 0.007 . 2 . . . . 97 GLU HG3 . 16412 1 1071 . 1 1 97 97 GLU CA C 13 56.513 0.179 . 1 . . . . 97 GLU CA . 16412 1 1072 . 1 1 97 97 GLU CB C 13 29.665 0.000 . 1 . . . . 97 GLU CB . 16412 1 1073 . 1 1 97 97 GLU CG C 13 36.456 0.230 . 1 . . . . 97 GLU CG . 16412 1 1074 . 1 1 97 97 GLU N N 15 116.830 0.020 . 1 . . . . 97 GLU N . 16412 1 1075 . 1 1 98 98 PHE H H 1 7.946 0.015 . 1 . . . . 98 PHE H . 16412 1 1076 . 1 1 98 98 PHE HA H 1 4.924 0.005 . 1 . . . . 98 PHE HA . 16412 1 1077 . 1 1 98 98 PHE HB2 H 1 3.324 0.009 . 2 . . . . 98 PHE HB2 . 16412 1 1078 . 1 1 98 98 PHE HB3 H 1 3.138 0.008 . 2 . . . . 98 PHE HB3 . 16412 1 1079 . 1 1 98 98 PHE HD1 H 1 6.912 0.005 . 3 . . . . 98 PHE QD . 16412 1 1080 . 1 1 98 98 PHE HD2 H 1 6.912 0.005 . 3 . . . . 98 PHE QD . 16412 1 1081 . 1 1 98 98 PHE HE1 H 1 7.084 0.008 . 3 . . . . 98 PHE QE . 16412 1 1082 . 1 1 98 98 PHE HE2 H 1 7.084 0.008 . 3 . . . . 98 PHE QE . 16412 1 1083 . 1 1 98 98 PHE HZ H 1 6.662 0.005 . 1 . . . . 98 PHE HZ . 16412 1 1084 . 1 1 98 98 PHE CA C 13 52.627 0.000 . 1 . . . . 98 PHE CA . 16412 1 1085 . 1 1 98 98 PHE CB C 13 37.951 0.149 . 1 . . . . 98 PHE CB . 16412 1 1086 . 1 1 98 98 PHE N N 15 120.719 0.011 . 1 . . . . 98 PHE N . 16412 1 1087 . 1 1 99 99 PRO HA H 1 4.795 0.005 . 1 . . . . 99 PRO HA . 16412 1 1088 . 1 1 99 99 PRO HB2 H 1 2.467 0.004 . 2 . . . . 99 PRO HB2 . 16412 1 1089 . 1 1 99 99 PRO HB3 H 1 2.276 0.004 . 2 . . . . 99 PRO HB3 . 16412 1 1090 . 1 1 99 99 PRO HD2 H 1 4.086 0.009 . 2 . . . . 99 PRO HD2 . 16412 1 1091 . 1 1 99 99 PRO HD3 H 1 3.439 0.004 . 2 . . . . 99 PRO HD3 . 16412 1 1092 . 1 1 99 99 PRO HG2 H 1 2.198 0.004 . 2 . . . . 99 PRO HG2 . 16412 1 1093 . 1 1 99 99 PRO HG3 H 1 1.994 0.006 . 2 . . . . 99 PRO HG3 . 16412 1 1094 . 1 1 99 99 PRO CB C 13 32.432 0.107 . 1 . . . . 99 PRO CB . 16412 1 1095 . 1 1 99 99 PRO CD C 13 50.498 0.048 . 1 . . . . 99 PRO CD . 16412 1 1096 . 1 1 99 99 PRO CG C 13 27.605 0.114 . 1 . . . . 99 PRO CG . 16412 1 1097 . 1 1 100 100 ARG HA H 1 3.812 0.003 . 1 . . . . 100 ARG HA . 16412 1 1098 . 1 1 100 100 ARG HB2 H 1 1.999 0.007 . 2 . . . . 100 ARG HB2 . 16412 1 1099 . 1 1 100 100 ARG HB3 H 1 1.866 0.010 . 2 . . . . 100 ARG HB3 . 16412 1 1100 . 1 1 100 100 ARG HD2 H 1 3.234 0.009 . 2 . . . . 100 ARG QD . 16412 1 1101 . 1 1 100 100 ARG HD3 H 1 3.234 0.009 . 2 . . . . 100 ARG QD . 16412 1 1102 . 1 1 100 100 ARG HG2 H 1 1.782 0.007 . 2 . . . . 100 ARG HG2 . 16412 1 1103 . 1 1 100 100 ARG HG3 H 1 1.618 0.002 . 2 . . . . 100 ARG HG3 . 16412 1 1104 . 1 1 100 100 ARG CA C 13 60.732 0.065 . 1 . . . . 100 ARG CA . 16412 1 1105 . 1 1 100 100 ARG CB C 13 30.342 0.053 . 1 . . . . 100 ARG CB . 16412 1 1106 . 1 1 100 100 ARG CD C 13 43.322 0.056 . 1 . . . . 100 ARG CD . 16412 1 1107 . 1 1 100 100 ARG CG C 13 27.119 0.222 . 1 . . . . 100 ARG CG . 16412 1 1108 . 1 1 101 101 ASP H H 1 9.132 0.013 . 1 . . . . 101 ASP H . 16412 1 1109 . 1 1 101 101 ASP HA H 1 4.351 0.007 . 1 . . . . 101 ASP HA . 16412 1 1110 . 1 1 101 101 ASP HB2 H 1 2.681 0.002 . 2 . . . . 101 ASP HB2 . 16412 1 1111 . 1 1 101 101 ASP HB3 H 1 2.562 0.003 . 2 . . . . 101 ASP HB3 . 16412 1 1112 . 1 1 101 101 ASP CA C 13 57.136 0.055 . 1 . . . . 101 ASP CA . 16412 1 1113 . 1 1 101 101 ASP CB C 13 39.323 0.077 . 1 . . . . 101 ASP CB . 16412 1 1114 . 1 1 101 101 ASP N N 15 116.247 0.035 . 1 . . . . 101 ASP N . 16412 1 1115 . 1 1 102 102 LEU H H 1 7.308 0.007 . 1 . . . . 102 LEU H . 16412 1 1116 . 1 1 102 102 LEU HA H 1 4.128 0.018 . 1 . . . . 102 LEU HA . 16412 1 1117 . 1 1 102 102 LEU HB2 H 1 1.181 0.004 . 2 . . . . 102 LEU HB2 . 16412 1 1118 . 1 1 102 102 LEU HB3 H 1 0.890 0.012 . 2 . . . . 102 LEU HB3 . 16412 1 1119 . 1 1 102 102 LEU HD11 H 1 0.460 0.008 . . . . . . 102 LEU QD1 . 16412 1 1120 . 1 1 102 102 LEU HD12 H 1 0.460 0.008 . . . . . . 102 LEU QD1 . 16412 1 1121 . 1 1 102 102 LEU HD13 H 1 0.460 0.008 . . . . . . 102 LEU QD1 . 16412 1 1122 . 1 1 102 102 LEU HD21 H 1 0.414 0.009 . . . . . . 102 LEU QD2 . 16412 1 1123 . 1 1 102 102 LEU HD22 H 1 0.414 0.009 . . . . . . 102 LEU QD2 . 16412 1 1124 . 1 1 102 102 LEU HD23 H 1 0.414 0.009 . . . . . . 102 LEU QD2 . 16412 1 1125 . 1 1 102 102 LEU HG H 1 1.438 0.007 . 1 . . . . 102 LEU HG . 16412 1 1126 . 1 1 102 102 LEU CB C 13 40.193 0.034 . 1 . . . . 102 LEU CB . 16412 1 1127 . 1 1 102 102 LEU CD1 C 13 24.472 0.029 . 2 . . . . 102 LEU CD1 . 16412 1 1128 . 1 1 102 102 LEU CD2 C 13 23.621 0.039 . 2 . . . . 102 LEU CD2 . 16412 1 1129 . 1 1 102 102 LEU N N 15 120.330 0.022 . 1 . . . . 102 LEU N . 16412 1 1130 . 1 1 103 103 LYS H H 1 8.638 0.011 . 1 . . . . 103 LYS H . 16412 1 1131 . 1 1 103 103 LYS HA H 1 4.133 0.009 . 1 . . . . 103 LYS HA . 16412 1 1132 . 1 1 103 103 LYS HB2 H 1 2.052 0.010 . 2 . . . . 103 LYS QB . 16412 1 1133 . 1 1 103 103 LYS HB3 H 1 2.052 0.010 . 2 . . . . 103 LYS QB . 16412 1 1134 . 1 1 103 103 LYS HE2 H 1 3.054 0.000 . 2 . . . . 103 LYS QE . 16412 1 1135 . 1 1 103 103 LYS HE3 H 1 3.054 0.000 . 2 . . . . 103 LYS QE . 16412 1 1136 . 1 1 103 103 LYS HG2 H 1 1.699 0.012 . 2 . . . . 103 LYS HG2 . 16412 1 1137 . 1 1 103 103 LYS HG3 H 1 1.635 0.005 . 2 . . . . 103 LYS HG3 . 16412 1 1138 . 1 1 103 103 LYS CA C 13 61.259 0.000 . 1 . . . . 103 LYS CA . 16412 1 1139 . 1 1 103 103 LYS CG C 13 25.618 0.000 . 1 . . . . 103 LYS CG . 16412 1 1140 . 1 1 103 103 LYS N N 15 122.393 0.028 . 1 . . . . 103 LYS N . 16412 1 1141 . 1 1 104 104 LYS H H 1 7.541 0.007 . 1 . . . . 104 LYS H . 16412 1 1142 . 1 1 104 104 LYS HA H 1 4.164 0.007 . 1 . . . . 104 LYS HA . 16412 1 1143 . 1 1 104 104 LYS HB2 H 1 1.940 0.011 . 2 . . . . 104 LYS QB . 16412 1 1144 . 1 1 104 104 LYS HB3 H 1 1.940 0.011 . 2 . . . . 104 LYS QB . 16412 1 1145 . 1 1 104 104 LYS HD2 H 1 1.719 0.000 . 2 . . . . 104 LYS QD . 16412 1 1146 . 1 1 104 104 LYS HD3 H 1 1.719 0.000 . 2 . . . . 104 LYS QD . 16412 1 1147 . 1 1 104 104 LYS HE2 H 1 2.970 0.000 . 2 . . . . 104 LYS QE . 16412 1 1148 . 1 1 104 104 LYS HE3 H 1 2.970 0.000 . 2 . . . . 104 LYS QE . 16412 1 1149 . 1 1 104 104 LYS HG2 H 1 1.488 0.004 . 2 . . . . 104 LYS QG . 16412 1 1150 . 1 1 104 104 LYS HG3 H 1 1.488 0.004 . 2 . . . . 104 LYS QG . 16412 1 1151 . 1 1 104 104 LYS CA C 13 59.487 0.043 . 1 . . . . 104 LYS CA . 16412 1 1152 . 1 1 104 104 LYS CB C 13 32.081 0.119 . 1 . . . . 104 LYS CB . 16412 1 1153 . 1 1 104 104 LYS CD C 13 29.359 0.056 . 1 . . . . 104 LYS CD . 16412 1 1154 . 1 1 104 104 LYS N N 15 117.511 0.019 . 1 . . . . 104 LYS N . 16412 1 1155 . 1 1 105 105 LYS H H 1 7.107 0.007 . 1 . . . . 105 LYS H . 16412 1 1156 . 1 1 105 105 LYS HA H 1 4.161 0.018 . 1 . . . . 105 LYS HA . 16412 1 1157 . 1 1 105 105 LYS HB2 H 1 2.047 0.016 . 2 . . . . 105 LYS QB . 16412 1 1158 . 1 1 105 105 LYS HB3 H 1 2.047 0.016 . 2 . . . . 105 LYS QB . 16412 1 1159 . 1 1 105 105 LYS HD2 H 1 1.871 0.000 . 2 . . . . 105 LYS QD . 16412 1 1160 . 1 1 105 105 LYS HD3 H 1 1.871 0.000 . 2 . . . . 105 LYS QD . 16412 1 1161 . 1 1 105 105 LYS HE2 H 1 2.979 0.004 . 2 . . . . 105 LYS QE . 16412 1 1162 . 1 1 105 105 LYS HE3 H 1 2.979 0.004 . 2 . . . . 105 LYS QE . 16412 1 1163 . 1 1 105 105 LYS HG2 H 1 1.711 0.004 . 2 . . . . 105 LYS HG2 . 16412 1 1164 . 1 1 105 105 LYS HG3 H 1 1.628 0.017 . 2 . . . . 105 LYS HG3 . 16412 1 1165 . 1 1 105 105 LYS CA C 13 59.569 0.042 . 1 . . . . 105 LYS CA . 16412 1 1166 . 1 1 105 105 LYS CB C 13 32.667 0.000 . 1 . . . . 105 LYS CB . 16412 1 1167 . 1 1 105 105 LYS CG C 13 25.656 0.076 . 1 . . . . 105 LYS CG . 16412 1 1168 . 1 1 105 105 LYS N N 15 119.280 0.021 . 1 . . . . 105 LYS N . 16412 1 1169 . 1 1 106 106 LEU H H 1 8.267 0.008 . 1 . . . . 106 LEU H . 16412 1 1170 . 1 1 106 106 LEU HA H 1 3.986 0.011 . 1 . . . . 106 LEU HA . 16412 1 1171 . 1 1 106 106 LEU HB2 H 1 2.237 0.007 . 2 . . . . 106 LEU HB2 . 16412 1 1172 . 1 1 106 106 LEU HB3 H 1 1.700 0.008 . 2 . . . . 106 LEU HB3 . 16412 1 1173 . 1 1 106 106 LEU HD11 H 1 0.871 0.005 . . . . . . 106 LEU QQD . 16412 1 1174 . 1 1 106 106 LEU HD12 H 1 0.871 0.005 . . . . . . 106 LEU QQD . 16412 1 1175 . 1 1 106 106 LEU HD13 H 1 0.871 0.005 . . . . . . 106 LEU QQD . 16412 1 1176 . 1 1 106 106 LEU HD21 H 1 0.871 0.005 . . . . . . 106 LEU QQD . 16412 1 1177 . 1 1 106 106 LEU HD22 H 1 0.871 0.005 . . . . . . 106 LEU QQD . 16412 1 1178 . 1 1 106 106 LEU HD23 H 1 0.871 0.005 . . . . . . 106 LEU QQD . 16412 1 1179 . 1 1 106 106 LEU HG H 1 1.591 0.017 . 1 . . . . 106 LEU HG . 16412 1 1180 . 1 1 106 106 LEU CB C 13 41.524 0.045 . 1 . . . . 106 LEU CB . 16412 1 1181 . 1 1 106 106 LEU CD1 C 13 25.661 0.000 . 2 . . . . 106 LEU CD1 . 16412 1 1182 . 1 1 106 106 LEU N N 15 121.587 0.142 . 1 . . . . 106 LEU N . 16412 1 1183 . 1 1 107 107 SER H H 1 8.605 0.008 . 1 . . . . 107 SER H . 16412 1 1184 . 1 1 107 107 SER HA H 1 3.961 0.012 . 1 . . . . 107 SER HA . 16412 1 1185 . 1 1 107 107 SER HB2 H 1 3.968 0.015 . 2 . . . . 107 SER QB . 16412 1 1186 . 1 1 107 107 SER HB3 H 1 3.968 0.015 . 2 . . . . 107 SER QB . 16412 1 1187 . 1 1 107 107 SER CA C 13 62.518 0.109 . 1 . . . . 107 SER CA . 16412 1 1188 . 1 1 107 107 SER CB C 13 62.629 0.034 . 1 . . . . 107 SER CB . 16412 1 1189 . 1 1 107 107 SER N N 15 115.180 0.022 . 1 . . . . 107 SER N . 16412 1 1190 . 1 1 108 108 ARG H H 1 7.651 0.010 . 1 . . . . 108 ARG H . 16412 1 1191 . 1 1 108 108 ARG HA H 1 4.145 0.011 . 1 . . . . 108 ARG HA . 16412 1 1192 . 1 1 108 108 ARG HB2 H 1 2.042 0.000 . 2 . . . . 108 ARG HB2 . 16412 1 1193 . 1 1 108 108 ARG HB3 H 1 1.939 0.005 . 2 . . . . 108 ARG HB3 . 16412 1 1194 . 1 1 108 108 ARG HD2 H 1 3.219 0.005 . 2 . . . . 108 ARG QD . 16412 1 1195 . 1 1 108 108 ARG HD3 H 1 3.219 0.005 . 2 . . . . 108 ARG QD . 16412 1 1196 . 1 1 108 108 ARG HG2 H 1 1.787 0.005 . 2 . . . . 108 ARG HG2 . 16412 1 1197 . 1 1 108 108 ARG HG3 H 1 1.618 0.000 . 2 . . . . 108 ARG HG3 . 16412 1 1198 . 1 1 108 108 ARG CA C 13 59.426 0.150 . 1 . . . . 108 ARG CA . 16412 1 1199 . 1 1 108 108 ARG CD C 13 43.420 0.000 . 1 . . . . 108 ARG CD . 16412 1 1200 . 1 1 108 108 ARG CG C 13 27.864 0.046 . 1 . . . . 108 ARG CG . 16412 1 1201 . 1 1 108 108 ARG N N 15 121.103 0.027 . 1 . . . . 108 ARG N . 16412 1 1202 . 1 1 109 109 VAL H H 1 7.765 0.005 . 1 . . . . 109 VAL H . 16412 1 1203 . 1 1 109 109 VAL HA H 1 3.555 0.002 . 1 . . . . 109 VAL HA . 16412 1 1204 . 1 1 109 109 VAL HB H 1 2.466 0.011 . 1 . . . . 109 VAL HB . 16412 1 1205 . 1 1 109 109 VAL HG11 H 1 1.256 0.014 . . . . . . 109 VAL QG1 . 16412 1 1206 . 1 1 109 109 VAL HG12 H 1 1.256 0.014 . . . . . . 109 VAL QG1 . 16412 1 1207 . 1 1 109 109 VAL HG13 H 1 1.256 0.014 . . . . . . 109 VAL QG1 . 16412 1 1208 . 1 1 109 109 VAL HG21 H 1 0.939 0.014 . . . . . . 109 VAL QG2 . 16412 1 1209 . 1 1 109 109 VAL HG22 H 1 0.939 0.014 . . . . . . 109 VAL QG2 . 16412 1 1210 . 1 1 109 109 VAL HG23 H 1 0.939 0.014 . . . . . . 109 VAL QG2 . 16412 1 1211 . 1 1 109 109 VAL CA C 13 66.937 0.032 . 1 . . . . 109 VAL CA . 16412 1 1212 . 1 1 109 109 VAL CB C 13 31.527 0.026 . 1 . . . . 109 VAL CB . 16412 1 1213 . 1 1 109 109 VAL CG1 C 13 23.583 0.102 . 2 . . . . 109 VAL CG1 . 16412 1 1214 . 1 1 109 109 VAL CG2 C 13 20.797 0.008 . 2 . . . . 109 VAL CG2 . 16412 1 1215 . 1 1 109 109 VAL N N 15 118.448 0.011 . 1 . . . . 109 VAL N . 16412 1 1216 . 1 1 110 110 VAL H H 1 8.296 0.004 . 1 . . . . 110 VAL H . 16412 1 1217 . 1 1 110 110 VAL HA H 1 3.416 0.004 . 1 . . . . 110 VAL HA . 16412 1 1218 . 1 1 110 110 VAL HB H 1 2.197 0.008 . 1 . . . . 110 VAL HB . 16412 1 1219 . 1 1 110 110 VAL HG11 H 1 0.887 0.008 . . . . . . 110 VAL QG1 . 16412 1 1220 . 1 1 110 110 VAL HG12 H 1 0.887 0.008 . . . . . . 110 VAL QG1 . 16412 1 1221 . 1 1 110 110 VAL HG13 H 1 0.887 0.008 . . . . . . 110 VAL QG1 . 16412 1 1222 . 1 1 110 110 VAL HG21 H 1 0.991 0.004 . . . . . . 110 VAL QG2 . 16412 1 1223 . 1 1 110 110 VAL HG22 H 1 0.991 0.004 . . . . . . 110 VAL QG2 . 16412 1 1224 . 1 1 110 110 VAL HG23 H 1 0.991 0.004 . . . . . . 110 VAL QG2 . 16412 1 1225 . 1 1 110 110 VAL CA C 13 67.728 0.011 . 1 . . . . 110 VAL CA . 16412 1 1226 . 1 1 110 110 VAL CB C 13 31.582 0.162 . 1 . . . . 110 VAL CB . 16412 1 1227 . 1 1 110 110 VAL CG1 C 13 21.087 0.000 . 2 . . . . 110 VAL CG1 . 16412 1 1228 . 1 1 110 110 VAL CG2 C 13 24.268 0.019 . 2 . . . . 110 VAL CG2 . 16412 1 1229 . 1 1 110 110 VAL N N 15 118.459 0.135 . 1 . . . . 110 VAL N . 16412 1 1230 . 1 1 111 111 ASN H H 1 8.242 0.010 . 1 . . . . 111 ASN H . 16412 1 1231 . 1 1 111 111 ASN HA H 1 4.425 0.008 . 1 . . . . 111 ASN HA . 16412 1 1232 . 1 1 111 111 ASN HB2 H 1 2.923 0.014 . 2 . . . . 111 ASN HB2 . 16412 1 1233 . 1 1 111 111 ASN HB3 H 1 2.833 0.006 . 2 . . . . 111 ASN HB3 . 16412 1 1234 . 1 1 111 111 ASN HD21 H 1 7.475 0.015 . 2 . . . . 111 ASN HD21 . 16412 1 1235 . 1 1 111 111 ASN HD22 H 1 6.915 0.002 . 2 . . . . 111 ASN HD22 . 16412 1 1236 . 1 1 111 111 ASN CA C 13 56.858 0.271 . 1 . . . . 111 ASN CA . 16412 1 1237 . 1 1 111 111 ASN CB C 13 38.233 0.040 . 1 . . . . 111 ASN CB . 16412 1 1238 . 1 1 111 111 ASN N N 15 117.684 0.018 . 1 . . . . 111 ASN N . 16412 1 1239 . 1 1 111 111 ASN ND2 N 15 112.583 0.059 . 1 . . . . 111 ASN ND2 . 16412 1 1240 . 1 1 112 112 ILE H H 1 8.186 0.012 . 1 . . . . 112 ILE H . 16412 1 1241 . 1 1 112 112 ILE HA H 1 3.781 0.010 . 1 . . . . 112 ILE HA . 16412 1 1242 . 1 1 112 112 ILE HB H 1 1.938 0.008 . 1 . . . . 112 ILE HB . 16412 1 1243 . 1 1 112 112 ILE HD11 H 1 0.678 0.016 . . . . . . 112 ILE QD1 . 16412 1 1244 . 1 1 112 112 ILE HD12 H 1 0.678 0.016 . . . . . . 112 ILE QD1 . 16412 1 1245 . 1 1 112 112 ILE HD13 H 1 0.678 0.016 . . . . . . 112 ILE QD1 . 16412 1 1246 . 1 1 112 112 ILE HG12 H 1 1.675 0.011 . 2 . . . . 112 ILE HG12 . 16412 1 1247 . 1 1 112 112 ILE HG13 H 1 1.035 0.005 . 2 . . . . 112 ILE HG13 . 16412 1 1248 . 1 1 112 112 ILE HG21 H 1 0.786 0.016 . . . . . . 112 ILE QG2 . 16412 1 1249 . 1 1 112 112 ILE HG22 H 1 0.786 0.016 . . . . . . 112 ILE QG2 . 16412 1 1250 . 1 1 112 112 ILE HG23 H 1 0.786 0.016 . . . . . . 112 ILE QG2 . 16412 1 1251 . 1 1 112 112 ILE CA C 13 64.849 0.053 . 1 . . . . 112 ILE CA . 16412 1 1252 . 1 1 112 112 ILE CB C 13 37.893 0.025 . 1 . . . . 112 ILE CB . 16412 1 1253 . 1 1 112 112 ILE CD1 C 13 14.085 0.171 . 1 . . . . 112 ILE CD1 . 16412 1 1254 . 1 1 112 112 ILE CG1 C 13 29.214 0.134 . 1 . . . . 112 ILE CG1 . 16412 1 1255 . 1 1 112 112 ILE N N 15 122.567 0.044 . 1 . . . . 112 ILE N . 16412 1 1256 . 1 1 113 113 LEU H H 1 8.344 0.012 . 1 . . . . 113 LEU H . 16412 1 1257 . 1 1 113 113 LEU HA H 1 3.717 0.006 . 1 . . . . 113 LEU HA . 16412 1 1258 . 1 1 113 113 LEU HB2 H 1 2.119 0.013 . 2 . . . . 113 LEU HB2 . 16412 1 1259 . 1 1 113 113 LEU HB3 H 1 1.025 0.015 . 2 . . . . 113 LEU HB3 . 16412 1 1260 . 1 1 113 113 LEU HD11 H 1 0.777 0.010 . . . . . . 113 LEU QD1 . 16412 1 1261 . 1 1 113 113 LEU HD12 H 1 0.777 0.010 . . . . . . 113 LEU QD1 . 16412 1 1262 . 1 1 113 113 LEU HD13 H 1 0.777 0.010 . . . . . . 113 LEU QD1 . 16412 1 1263 . 1 1 113 113 LEU HD21 H 1 0.673 0.011 . . . . . . 113 LEU QD2 . 16412 1 1264 . 1 1 113 113 LEU HD22 H 1 0.673 0.011 . . . . . . 113 LEU QD2 . 16412 1 1265 . 1 1 113 113 LEU HD23 H 1 0.673 0.011 . . . . . . 113 LEU QD2 . 16412 1 1266 . 1 1 113 113 LEU HG H 1 2.090 0.013 . 1 . . . . 113 LEU HG . 16412 1 1267 . 1 1 113 113 LEU CA C 13 57.415 0.067 . 1 . . . . 113 LEU CA . 16412 1 1268 . 1 1 113 113 LEU CB C 13 41.741 0.204 . 1 . . . . 113 LEU CB . 16412 1 1269 . 1 1 113 113 LEU CD1 C 13 25.832 0.035 . 2 . . . . 113 LEU CD1 . 16412 1 1270 . 1 1 113 113 LEU CD2 C 13 23.614 0.100 . 2 . . . . 113 LEU CD2 . 16412 1 1271 . 1 1 113 113 LEU CG C 13 25.975 0.011 . 1 . . . . 113 LEU CG . 16412 1 1272 . 1 1 113 113 LEU N N 15 119.672 0.183 . 1 . . . . 113 LEU N . 16412 1 1273 . 1 1 114 114 LYS H H 1 8.443 0.004 . 1 . . . . 114 LYS H . 16412 1 1274 . 1 1 114 114 LYS HA H 1 4.023 0.008 . 1 . . . . 114 LYS HA . 16412 1 1275 . 1 1 114 114 LYS HB2 H 1 2.042 0.014 . 2 . . . . 114 LYS HB2 . 16412 1 1276 . 1 1 114 114 LYS HB3 H 1 1.862 0.013 . 2 . . . . 114 LYS HB3 . 16412 1 1277 . 1 1 114 114 LYS HG2 H 1 1.630 0.005 . 2 . . . . 114 LYS HG2 . 16412 1 1278 . 1 1 114 114 LYS HG3 H 1 1.329 0.004 . 2 . . . . 114 LYS HG3 . 16412 1 1279 . 1 1 114 114 LYS CA C 13 59.417 0.000 . 1 . . . . 114 LYS CA . 16412 1 1280 . 1 1 114 114 LYS CB C 13 32.728 0.140 . 1 . . . . 114 LYS CB . 16412 1 1281 . 1 1 114 114 LYS CG C 13 25.075 0.011 . 1 . . . . 114 LYS CG . 16412 1 1282 . 1 1 114 114 LYS N N 15 119.344 0.093 . 1 . . . . 114 LYS N . 16412 1 1283 . 1 1 115 115 GLU H H 1 8.576 0.004 . 1 . . . . 115 GLU H . 16412 1 1284 . 1 1 115 115 GLU HA H 1 3.990 0.004 . 1 . . . . 115 GLU HA . 16412 1 1285 . 1 1 115 115 GLU HB2 H 1 2.160 0.005 . 2 . . . . 115 GLU HB2 . 16412 1 1286 . 1 1 115 115 GLU HB3 H 1 2.061 0.003 . 2 . . . . 115 GLU HB3 . 16412 1 1287 . 1 1 115 115 GLU HG2 H 1 2.356 0.006 . 2 . . . . 115 GLU HG2 . 16412 1 1288 . 1 1 115 115 GLU HG3 H 1 2.279 0.005 . 2 . . . . 115 GLU HG3 . 16412 1 1289 . 1 1 115 115 GLU CA C 13 59.076 0.000 . 1 . . . . 115 GLU CA . 16412 1 1290 . 1 1 115 115 GLU CB C 13 29.732 0.000 . 1 . . . . 115 GLU CB . 16412 1 1291 . 1 1 115 115 GLU CG C 13 36.284 0.117 . 1 . . . . 115 GLU CG . 16412 1 1292 . 1 1 115 115 GLU N N 15 121.437 0.031 . 1 . . . . 115 GLU N . 16412 1 1293 . 1 1 116 116 ARG H H 1 7.862 0.010 . 1 . . . . 116 ARG H . 16412 1 1294 . 1 1 116 116 ARG HA H 1 4.255 0.007 . 1 . . . . 116 ARG HA . 16412 1 1295 . 1 1 116 116 ARG HB2 H 1 1.950 0.011 . 2 . . . . 116 ARG HB2 . 16412 1 1296 . 1 1 116 116 ARG HB3 H 1 1.496 0.002 . 2 . . . . 116 ARG HB3 . 16412 1 1297 . 1 1 116 116 ARG HD2 H 1 3.018 0.007 . 2 . . . . 116 ARG HD2 . 16412 1 1298 . 1 1 116 116 ARG HD3 H 1 2.797 0.013 . 2 . . . . 116 ARG HD3 . 16412 1 1299 . 1 1 116 116 ARG HG2 H 1 1.764 0.006 . 2 . . . . 116 ARG HG2 . 16412 1 1300 . 1 1 116 116 ARG HG3 H 1 1.576 0.019 . 2 . . . . 116 ARG HG3 . 16412 1 1301 . 1 1 116 116 ARG CA C 13 55.745 0.133 . 1 . . . . 116 ARG CA . 16412 1 1302 . 1 1 116 116 ARG CB C 13 29.311 0.077 . 1 . . . . 116 ARG CB . 16412 1 1303 . 1 1 116 116 ARG CD C 13 43.267 0.123 . 1 . . . . 116 ARG CD . 16412 1 1304 . 1 1 116 116 ARG CG C 13 28.395 0.000 . 1 . . . . 116 ARG CG . 16412 1 1305 . 1 1 116 116 ARG N N 15 114.183 0.081 . 1 . . . . 116 ARG N . 16412 1 1306 . 1 1 117 117 ASN H H 1 7.825 0.002 . 1 . . . . 117 ASN H . 16412 1 1307 . 1 1 117 117 ASN HA H 1 4.445 0.004 . 1 . . . . 117 ASN HA . 16412 1 1308 . 1 1 117 117 ASN HB2 H 1 2.919 0.007 . 2 . . . . 117 ASN HB2 . 16412 1 1309 . 1 1 117 117 ASN HB3 H 1 2.637 0.001 . 2 . . . . 117 ASN HB3 . 16412 1 1310 . 1 1 117 117 ASN HD21 H 1 7.427 0.001 . 2 . . . . 117 ASN HD21 . 16412 1 1311 . 1 1 117 117 ASN HD22 H 1 6.759 0.002 . 2 . . . . 117 ASN HD22 . 16412 1 1312 . 1 1 117 117 ASN CA C 13 54.265 0.144 . 1 . . . . 117 ASN CA . 16412 1 1313 . 1 1 117 117 ASN CB C 13 37.002 0.217 . 1 . . . . 117 ASN CB . 16412 1 1314 . 1 1 117 117 ASN N N 15 115.457 0.025 . 1 . . . . 117 ASN N . 16412 1 1315 . 1 1 117 117 ASN ND2 N 15 112.941 0.012 . 1 . . . . 117 ASN ND2 . 16412 1 1316 . 1 1 118 118 ILE H H 1 7.548 0.002 . 1 . . . . 118 ILE H . 16412 1 1317 . 1 1 118 118 ILE HA H 1 3.457 0.007 . 1 . . . . 118 ILE HA . 16412 1 1318 . 1 1 118 118 ILE HB H 1 1.252 0.014 . 1 . . . . 118 ILE HB . 16412 1 1319 . 1 1 118 118 ILE HD11 H 1 0.471 0.008 . . . . . . 118 ILE QD1 . 16412 1 1320 . 1 1 118 118 ILE HD12 H 1 0.471 0.008 . . . . . . 118 ILE QD1 . 16412 1 1321 . 1 1 118 118 ILE HD13 H 1 0.471 0.008 . . . . . . 118 ILE QD1 . 16412 1 1322 . 1 1 118 118 ILE HG12 H 1 1.372 0.003 . 2 . . . . 118 ILE HG12 . 16412 1 1323 . 1 1 118 118 ILE HG13 H 1 1.033 0.017 . 2 . . . . 118 ILE HG13 . 16412 1 1324 . 1 1 118 118 ILE HG21 H 1 -0.006 0.008 . . . . . . 118 ILE QG2 . 16412 1 1325 . 1 1 118 118 ILE HG22 H 1 -0.006 0.008 . . . . . . 118 ILE QG2 . 16412 1 1326 . 1 1 118 118 ILE HG23 H 1 -0.006 0.008 . . . . . . 118 ILE QG2 . 16412 1 1327 . 1 1 118 118 ILE CA C 13 61.287 0.126 . 1 . . . . 118 ILE CA . 16412 1 1328 . 1 1 118 118 ILE CB C 13 36.523 0.027 . 1 . . . . 118 ILE CB . 16412 1 1329 . 1 1 118 118 ILE CD1 C 13 10.080 0.000 . 1 . . . . 118 ILE CD1 . 16412 1 1330 . 1 1 118 118 ILE CG1 C 13 27.401 0.100 . 1 . . . . 118 ILE CG1 . 16412 1 1331 . 1 1 118 118 ILE CG2 C 13 16.682 0.016 . 1 . . . . 118 ILE CG2 . 16412 1 1332 . 1 1 118 118 ILE N N 15 116.820 0.020 . 1 . . . . 118 ILE N . 16412 1 1333 . 1 1 119 119 PHE H H 1 8.163 0.008 . 1 . . . . 119 PHE H . 16412 1 1334 . 1 1 119 119 PHE HA H 1 5.209 0.017 . 1 . . . . 119 PHE HA . 16412 1 1335 . 1 1 119 119 PHE HB2 H 1 3.388 0.015 . 2 . . . . 119 PHE HB2 . 16412 1 1336 . 1 1 119 119 PHE HB3 H 1 2.636 0.010 . 2 . . . . 119 PHE HB3 . 16412 1 1337 . 1 1 119 119 PHE HD1 H 1 7.208 0.013 . 3 . . . . 119 PHE QD . 16412 1 1338 . 1 1 119 119 PHE HD2 H 1 7.208 0.013 . 3 . . . . 119 PHE QD . 16412 1 1339 . 1 1 119 119 PHE HE1 H 1 7.154 0.004 . 3 . . . . 119 PHE QE . 16412 1 1340 . 1 1 119 119 PHE HE2 H 1 7.154 0.004 . 3 . . . . 119 PHE QE . 16412 1 1341 . 1 1 119 119 PHE HZ H 1 6.998 0.008 . 1 . . . . 119 PHE HZ . 16412 1 1342 . 1 1 119 119 PHE CA C 13 53.854 0.027 . 1 . . . . 119 PHE CA . 16412 1 1343 . 1 1 119 119 PHE CB C 13 42.374 0.017 . 1 . . . . 119 PHE CB . 16412 1 1344 . 1 1 119 119 PHE N N 15 115.452 0.030 . 1 . . . . 119 PHE N . 16412 1 1345 . 1 1 120 120 SER H H 1 8.651 0.014 . 1 . . . . 120 SER H . 16412 1 1346 . 1 1 120 120 SER HA H 1 4.346 0.002 . 1 . . . . 120 SER HA . 16412 1 1347 . 1 1 120 120 SER HB2 H 1 4.347 0.003 . 2 . . . . 120 SER HB2 . 16412 1 1348 . 1 1 120 120 SER HB3 H 1 4.104 0.009 . 2 . . . . 120 SER HB3 . 16412 1 1349 . 1 1 120 120 SER CB C 13 64.702 0.057 . 1 . . . . 120 SER CB . 16412 1 1350 . 1 1 120 120 SER N N 15 115.844 0.016 . 1 . . . . 120 SER N . 16412 1 1351 . 1 1 121 121 LYS H H 1 8.725 0.014 . 1 . . . . 121 LYS H . 16412 1 1352 . 1 1 121 121 LYS HA H 1 3.935 0.015 . 1 . . . . 121 LYS HA . 16412 1 1353 . 1 1 121 121 LYS HB2 H 1 1.864 0.005 . 2 . . . . 121 LYS HB2 . 16412 1 1354 . 1 1 121 121 LYS HB3 H 1 1.787 0.005 . 2 . . . . 121 LYS HB3 . 16412 1 1355 . 1 1 121 121 LYS HE2 H 1 3.001 0.006 . 2 . . . . 121 LYS QE . 16412 1 1356 . 1 1 121 121 LYS HE3 H 1 3.001 0.006 . 2 . . . . 121 LYS QE . 16412 1 1357 . 1 1 121 121 LYS HG2 H 1 1.554 0.002 . 2 . . . . 121 LYS HG2 . 16412 1 1358 . 1 1 121 121 LYS HG3 H 1 1.470 0.002 . 2 . . . . 121 LYS HG3 . 16412 1 1359 . 1 1 121 121 LYS CA C 13 59.449 0.019 . 1 . . . . 121 LYS CA . 16412 1 1360 . 1 1 121 121 LYS CB C 13 31.985 0.019 . 1 . . . . 121 LYS CB . 16412 1 1361 . 1 1 121 121 LYS CG C 13 24.888 0.027 . 1 . . . . 121 LYS CG . 16412 1 1362 . 1 1 121 121 LYS N N 15 121.034 0.038 . 1 . . . . 121 LYS N . 16412 1 1363 . 1 1 122 122 GLN H H 1 8.341 0.011 . 1 . . . . 122 GLN H . 16412 1 1364 . 1 1 122 122 GLN HA H 1 3.957 0.004 . 1 . . . . 122 GLN HA . 16412 1 1365 . 1 1 122 122 GLN HB2 H 1 2.138 0.012 . 2 . . . . 122 GLN HB2 . 16412 1 1366 . 1 1 122 122 GLN HB3 H 1 1.932 0.003 . 2 . . . . 122 GLN HB3 . 16412 1 1367 . 1 1 122 122 GLN HE21 H 1 7.725 0.002 . 2 . . . . 122 GLN HE21 . 16412 1 1368 . 1 1 122 122 GLN HE22 H 1 6.855 0.005 . 2 . . . . 122 GLN HE22 . 16412 1 1369 . 1 1 122 122 GLN HG2 H 1 2.410 0.003 . 2 . . . . 122 GLN HG2 . 16412 1 1370 . 1 1 122 122 GLN HG3 H 1 2.360 0.003 . 2 . . . . 122 GLN HG3 . 16412 1 1371 . 1 1 122 122 GLN CB C 13 28.280 0.000 . 1 . . . . 122 GLN CB . 16412 1 1372 . 1 1 122 122 GLN N N 15 117.701 0.024 . 1 . . . . 122 GLN N . 16412 1 1373 . 1 1 122 122 GLN NE2 N 15 114.550 0.050 . 1 . . . . 122 GLN NE2 . 16412 1 1374 . 1 1 123 123 VAL H H 1 7.370 0.002 . 1 . . . . 123 VAL H . 16412 1 1375 . 1 1 123 123 VAL HA H 1 3.659 0.004 . 1 . . . . 123 VAL HA . 16412 1 1376 . 1 1 123 123 VAL HB H 1 2.189 0.008 . 1 . . . . 123 VAL HB . 16412 1 1377 . 1 1 123 123 VAL HG11 H 1 0.909 0.006 . . . . . . 123 VAL QG1 . 16412 1 1378 . 1 1 123 123 VAL HG12 H 1 0.909 0.006 . . . . . . 123 VAL QG1 . 16412 1 1379 . 1 1 123 123 VAL HG13 H 1 0.909 0.006 . . . . . . 123 VAL QG1 . 16412 1 1380 . 1 1 123 123 VAL HG21 H 1 0.598 0.016 . . . . . . 123 VAL QG2 . 16412 1 1381 . 1 1 123 123 VAL HG22 H 1 0.598 0.016 . . . . . . 123 VAL QG2 . 16412 1 1382 . 1 1 123 123 VAL HG23 H 1 0.598 0.016 . . . . . . 123 VAL QG2 . 16412 1 1383 . 1 1 123 123 VAL CA C 13 67.057 0.099 . 1 . . . . 123 VAL CA . 16412 1 1384 . 1 1 123 123 VAL CB C 13 31.666 0.005 . 1 . . . . 123 VAL CB . 16412 1 1385 . 1 1 123 123 VAL CG1 C 13 23.200 0.000 . 2 . . . . 123 VAL CG1 . 16412 1 1386 . 1 1 123 123 VAL CG2 C 13 22.234 0.210 . 2 . . . . 123 VAL CG2 . 16412 1 1387 . 1 1 123 123 VAL N N 15 120.980 0.008 . 1 . . . . 123 VAL N . 16412 1 1388 . 1 1 124 124 VAL H H 1 8.338 0.018 . 1 . . . . 124 VAL H . 16412 1 1389 . 1 1 124 124 VAL HA H 1 3.417 0.004 . 1 . . . . 124 VAL HA . 16412 1 1390 . 1 1 124 124 VAL HB H 1 2.137 0.005 . 1 . . . . 124 VAL HB . 16412 1 1391 . 1 1 124 124 VAL HG11 H 1 1.086 0.007 . . . . . . 124 VAL QG1 . 16412 1 1392 . 1 1 124 124 VAL HG12 H 1 1.086 0.007 . . . . . . 124 VAL QG1 . 16412 1 1393 . 1 1 124 124 VAL HG13 H 1 1.086 0.007 . . . . . . 124 VAL QG1 . 16412 1 1394 . 1 1 124 124 VAL HG21 H 1 0.913 0.011 . . . . . . 124 VAL QG2 . 16412 1 1395 . 1 1 124 124 VAL HG22 H 1 0.913 0.011 . . . . . . 124 VAL QG2 . 16412 1 1396 . 1 1 124 124 VAL HG23 H 1 0.913 0.011 . . . . . . 124 VAL QG2 . 16412 1 1397 . 1 1 124 124 VAL CA C 13 67.664 0.085 . 1 . . . . 124 VAL CA . 16412 1 1398 . 1 1 124 124 VAL CB C 13 31.363 0.103 . 1 . . . . 124 VAL CB . 16412 1 1399 . 1 1 124 124 VAL CG1 C 13 24.089 0.012 . 2 . . . . 124 VAL CG1 . 16412 1 1400 . 1 1 124 124 VAL CG2 C 13 21.752 0.103 . 2 . . . . 124 VAL CG2 . 16412 1 1401 . 1 1 124 124 VAL N N 15 119.438 0.101 . 1 . . . . 124 VAL N . 16412 1 1402 . 1 1 125 125 ASN H H 1 8.300 0.010 . 1 . . . . 125 ASN H . 16412 1 1403 . 1 1 125 125 ASN HA H 1 4.440 0.002 . 1 . . . . 125 ASN HA . 16412 1 1404 . 1 1 125 125 ASN HB2 H 1 2.904 0.012 . 2 . . . . 125 ASN HB2 . 16412 1 1405 . 1 1 125 125 ASN HB3 H 1 2.824 0.003 . 2 . . . . 125 ASN HB3 . 16412 1 1406 . 1 1 125 125 ASN HD21 H 1 7.577 0.003 . 2 . . . . 125 ASN HD21 . 16412 1 1407 . 1 1 125 125 ASN HD22 H 1 6.840 0.002 . 2 . . . . 125 ASN HD22 . 16412 1 1408 . 1 1 125 125 ASN CA C 13 56.582 0.041 . 1 . . . . 125 ASN CA . 16412 1 1409 . 1 1 125 125 ASN CB C 13 38.216 0.000 . 1 . . . . 125 ASN CB . 16412 1 1410 . 1 1 125 125 ASN N N 15 118.383 0.126 . 1 . . . . 125 ASN N . 16412 1 1411 . 1 1 125 125 ASN ND2 N 15 111.676 0.019 . 1 . . . . 125 ASN ND2 . 16412 1 1412 . 1 1 126 126 ASP H H 1 8.262 0.003 . 1 . . . . 126 ASP H . 16412 1 1413 . 1 1 126 126 ASP HA H 1 4.369 0.004 . 1 . . . . 126 ASP HA . 16412 1 1414 . 1 1 126 126 ASP HB2 H 1 2.951 0.006 . 2 . . . . 126 ASP HB2 . 16412 1 1415 . 1 1 126 126 ASP HB3 H 1 2.483 0.006 . 2 . . . . 126 ASP HB3 . 16412 1 1416 . 1 1 126 126 ASP CA C 13 57.517 0.028 . 1 . . . . 126 ASP CA . 16412 1 1417 . 1 1 126 126 ASP CB C 13 39.630 0.043 . 1 . . . . 126 ASP CB . 16412 1 1418 . 1 1 126 126 ASP N N 15 121.715 0.155 . 1 . . . . 126 ASP N . 16412 1 1419 . 1 1 127 127 ILE H H 1 8.956 0.002 . 1 . . . . 127 ILE H . 16412 1 1420 . 1 1 127 127 ILE HA H 1 3.417 0.006 . 1 . . . . 127 ILE HA . 16412 1 1421 . 1 1 127 127 ILE HB H 1 2.090 0.010 . 1 . . . . 127 ILE HB . 16412 1 1422 . 1 1 127 127 ILE HD11 H 1 0.645 0.013 . . . . . . 127 ILE QD1 . 16412 1 1423 . 1 1 127 127 ILE HD12 H 1 0.645 0.013 . . . . . . 127 ILE QD1 . 16412 1 1424 . 1 1 127 127 ILE HD13 H 1 0.645 0.013 . . . . . . 127 ILE QD1 . 16412 1 1425 . 1 1 127 127 ILE HG12 H 1 2.021 0.007 . 2 . . . . 127 ILE HG12 . 16412 1 1426 . 1 1 127 127 ILE HG13 H 1 0.467 0.005 . 2 . . . . 127 ILE HG13 . 16412 1 1427 . 1 1 127 127 ILE HG21 H 1 0.794 0.007 . . . . . . 127 ILE QG2 . 16412 1 1428 . 1 1 127 127 ILE HG22 H 1 0.794 0.007 . . . . . . 127 ILE QG2 . 16412 1 1429 . 1 1 127 127 ILE HG23 H 1 0.794 0.007 . . . . . . 127 ILE QG2 . 16412 1 1430 . 1 1 127 127 ILE CA C 13 66.472 0.024 . 1 . . . . 127 ILE CA . 16412 1 1431 . 1 1 127 127 ILE CB C 13 38.317 0.017 . 1 . . . . 127 ILE CB . 16412 1 1432 . 1 1 127 127 ILE CD1 C 13 14.305 0.022 . 1 . . . . 127 ILE CD1 . 16412 1 1433 . 1 1 127 127 ILE CG1 C 13 28.113 0.011 . 1 . . . . 127 ILE CG1 . 16412 1 1434 . 1 1 127 127 ILE CG2 C 13 17.774 0.096 . 1 . . . . 127 ILE CG2 . 16412 1 1435 . 1 1 127 127 ILE N N 15 123.359 0.019 . 1 . . . . 127 ILE N . 16412 1 1436 . 1 1 128 128 GLU H H 1 8.690 0.005 . 1 . . . . 128 GLU H . 16412 1 1437 . 1 1 128 128 GLU HA H 1 3.815 0.004 . 1 . . . . 128 GLU HA . 16412 1 1438 . 1 1 128 128 GLU HB2 H 1 2.212 0.006 . 2 . . . . 128 GLU HB2 . 16412 1 1439 . 1 1 128 128 GLU HB3 H 1 1.950 0.003 . 2 . . . . 128 GLU HB3 . 16412 1 1440 . 1 1 128 128 GLU HG2 H 1 2.568 0.003 . 2 . . . . 128 GLU HG2 . 16412 1 1441 . 1 1 128 128 GLU HG3 H 1 2.045 0.003 . 2 . . . . 128 GLU HG3 . 16412 1 1442 . 1 1 128 128 GLU CA C 13 60.715 0.035 . 1 . . . . 128 GLU CA . 16412 1 1443 . 1 1 128 128 GLU CB C 13 29.735 0.000 . 1 . . . . 128 GLU CB . 16412 1 1444 . 1 1 128 128 GLU CG C 13 37.507 0.135 . 1 . . . . 128 GLU CG . 16412 1 1445 . 1 1 128 128 GLU N N 15 118.594 0.018 . 1 . . . . 128 GLU N . 16412 1 1446 . 1 1 129 129 ARG H H 1 8.331 0.007 . 1 . . . . 129 ARG H . 16412 1 1447 . 1 1 129 129 ARG HA H 1 4.054 0.008 . 1 . . . . 129 ARG HA . 16412 1 1448 . 1 1 129 129 ARG HB2 H 1 1.913 0.003 . 2 . . . . 129 ARG QB . 16412 1 1449 . 1 1 129 129 ARG HB3 H 1 1.913 0.003 . 2 . . . . 129 ARG QB . 16412 1 1450 . 1 1 129 129 ARG HD2 H 1 3.201 0.004 . 2 . . . . 129 ARG QD . 16412 1 1451 . 1 1 129 129 ARG HD3 H 1 3.201 0.004 . 2 . . . . 129 ARG QD . 16412 1 1452 . 1 1 129 129 ARG HG2 H 1 1.772 0.009 . 2 . . . . 129 ARG HG2 . 16412 1 1453 . 1 1 129 129 ARG HG3 H 1 1.615 0.004 . 2 . . . . 129 ARG HG3 . 16412 1 1454 . 1 1 129 129 ARG CA C 13 59.448 0.001 . 1 . . . . 129 ARG CA . 16412 1 1455 . 1 1 129 129 ARG CB C 13 30.016 0.229 . 1 . . . . 129 ARG CB . 16412 1 1456 . 1 1 129 129 ARG CD C 13 43.196 0.000 . 1 . . . . 129 ARG CD . 16412 1 1457 . 1 1 129 129 ARG CG C 13 27.505 0.013 . 1 . . . . 129 ARG CG . 16412 1 1458 . 1 1 129 129 ARG N N 15 119.554 0.132 . 1 . . . . 129 ARG N . 16412 1 1459 . 1 1 130 130 SER H H 1 8.028 0.011 . 1 . . . . 130 SER H . 16412 1 1460 . 1 1 130 130 SER HA H 1 4.235 0.003 . 1 . . . . 130 SER HA . 16412 1 1461 . 1 1 130 130 SER HB2 H 1 3.977 0.005 . 2 . . . . 130 SER HB2 . 16412 1 1462 . 1 1 130 130 SER HB3 H 1 3.884 0.004 . 2 . . . . 130 SER HB3 . 16412 1 1463 . 1 1 130 130 SER CA C 13 61.424 0.010 . 1 . . . . 130 SER CA . 16412 1 1464 . 1 1 130 130 SER CB C 13 62.596 0.000 . 1 . . . . 130 SER CB . 16412 1 1465 . 1 1 130 130 SER N N 15 116.444 0.014 . 1 . . . . 130 SER N . 16412 1 1466 . 1 1 131 131 LEU H H 1 8.139 0.016 . 1 . . . . 131 LEU H . 16412 1 1467 . 1 1 131 131 LEU HA H 1 4.157 0.008 . 1 . . . . 131 LEU HA . 16412 1 1468 . 1 1 131 131 LEU HB2 H 1 1.784 0.007 . 2 . . . . 131 LEU HB2 . 16412 1 1469 . 1 1 131 131 LEU HB3 H 1 1.499 0.011 . 2 . . . . 131 LEU HB3 . 16412 1 1470 . 1 1 131 131 LEU HD11 H 1 0.788 0.008 . . . . . . 131 LEU QD1 . 16412 1 1471 . 1 1 131 131 LEU HD12 H 1 0.788 0.008 . . . . . . 131 LEU QD1 . 16412 1 1472 . 1 1 131 131 LEU HD13 H 1 0.788 0.008 . . . . . . 131 LEU QD1 . 16412 1 1473 . 1 1 131 131 LEU HD21 H 1 0.645 0.004 . . . . . . 131 LEU QD2 . 16412 1 1474 . 1 1 131 131 LEU HD22 H 1 0.645 0.004 . . . . . . 131 LEU QD2 . 16412 1 1475 . 1 1 131 131 LEU HD23 H 1 0.645 0.004 . . . . . . 131 LEU QD2 . 16412 1 1476 . 1 1 131 131 LEU HG H 1 1.838 0.003 . 1 . . . . 131 LEU HG . 16412 1 1477 . 1 1 131 131 LEU CA C 13 57.035 0.151 . 1 . . . . 131 LEU CA . 16412 1 1478 . 1 1 131 131 LEU CB C 13 41.513 0.147 . 1 . . . . 131 LEU CB . 16412 1 1479 . 1 1 131 131 LEU CD1 C 13 25.820 0.033 . 2 . . . . 131 LEU CD1 . 16412 1 1480 . 1 1 131 131 LEU CD2 C 13 23.617 0.124 . 2 . . . . 131 LEU CD2 . 16412 1 1481 . 1 1 131 131 LEU CG C 13 26.800 0.000 . 1 . . . . 131 LEU CG . 16412 1 1482 . 1 1 131 131 LEU N N 15 121.088 0.191 . 1 . . . . 131 LEU N . 16412 1 1483 . 1 1 132 132 ALA H H 1 7.481 0.007 . 1 . . . . 132 ALA H . 16412 1 1484 . 1 1 132 132 ALA HA H 1 4.172 0.002 . 1 . . . . 132 ALA HA . 16412 1 1485 . 1 1 132 132 ALA HB1 H 1 1.430 0.011 . . . . . . 132 ALA QB . 16412 1 1486 . 1 1 132 132 ALA HB2 H 1 1.430 0.011 . . . . . . 132 ALA QB . 16412 1 1487 . 1 1 132 132 ALA HB3 H 1 1.430 0.011 . . . . . . 132 ALA QB . 16412 1 1488 . 1 1 132 132 ALA CA C 13 53.284 0.027 . 1 . . . . 132 ALA CA . 16412 1 1489 . 1 1 132 132 ALA CB C 13 18.693 0.108 . 1 . . . . 132 ALA CB . 16412 1 1490 . 1 1 132 132 ALA N N 15 120.768 0.010 . 1 . . . . 132 ALA N . 16412 1 1491 . 1 1 133 133 ALA H H 1 7.626 0.002 . 1 . . . . 133 ALA H . 16412 1 1492 . 1 1 133 133 ALA HA H 1 4.172 0.000 . 1 . . . . 133 ALA HA . 16412 1 1493 . 1 1 133 133 ALA HB1 H 1 1.387 0.011 . . . . . . 133 ALA QB . 16412 1 1494 . 1 1 133 133 ALA HB2 H 1 1.387 0.011 . . . . . . 133 ALA QB . 16412 1 1495 . 1 1 133 133 ALA HB3 H 1 1.387 0.011 . . . . . . 133 ALA QB . 16412 1 1496 . 1 1 133 133 ALA CA C 13 53.278 0.000 . 1 . . . . 133 ALA CA . 16412 1 1497 . 1 1 133 133 ALA CB C 13 18.951 0.075 . 1 . . . . 133 ALA CB . 16412 1 1498 . 1 1 133 133 ALA N N 15 121.141 0.003 . 1 . . . . 133 ALA N . 16412 1 1499 . 1 1 134 134 ALA H H 1 7.750 0.004 . 1 . . . . 134 ALA H . 16412 1 1500 . 1 1 134 134 ALA HA H 1 4.254 0.002 . 1 . . . . 134 ALA HA . 16412 1 1501 . 1 1 134 134 ALA HB1 H 1 1.385 0.005 . . . . . . 134 ALA QB . 16412 1 1502 . 1 1 134 134 ALA HB2 H 1 1.385 0.005 . . . . . . 134 ALA QB . 16412 1 1503 . 1 1 134 134 ALA HB3 H 1 1.385 0.005 . . . . . . 134 ALA QB . 16412 1 1504 . 1 1 134 134 ALA CA C 13 52.572 0.010 . 1 . . . . 134 ALA CA . 16412 1 1505 . 1 1 134 134 ALA CB C 13 18.950 0.106 . 1 . . . . 134 ALA CB . 16412 1 1506 . 1 1 134 134 ALA N N 15 121.043 0.045 . 1 . . . . 134 ALA N . 16412 1 1507 . 1 1 135 135 LEU H H 1 7.876 0.018 . 1 . . . . 135 LEU H . 16412 1 1508 . 1 1 135 135 LEU HA H 1 4.248 0.004 . 1 . . . . 135 LEU HA . 16412 1 1509 . 1 1 135 135 LEU HB2 H 1 1.613 0.005 . 2 . . . . 135 LEU HB2 . 16412 1 1510 . 1 1 135 135 LEU HB3 H 1 1.509 0.006 . 2 . . . . 135 LEU HB3 . 16412 1 1511 . 1 1 135 135 LEU HD11 H 1 0.883 0.007 . . . . . . 135 LEU QD1 . 16412 1 1512 . 1 1 135 135 LEU HD12 H 1 0.883 0.007 . . . . . . 135 LEU QD1 . 16412 1 1513 . 1 1 135 135 LEU HD13 H 1 0.883 0.007 . . . . . . 135 LEU QD1 . 16412 1 1514 . 1 1 135 135 LEU HD21 H 1 0.825 0.008 . . . . . . 135 LEU QD2 . 16412 1 1515 . 1 1 135 135 LEU HD22 H 1 0.825 0.008 . . . . . . 135 LEU QD2 . 16412 1 1516 . 1 1 135 135 LEU HD23 H 1 0.825 0.008 . . . . . . 135 LEU QD2 . 16412 1 1517 . 1 1 135 135 LEU HG H 1 1.611 0.000 . 1 . . . . 135 LEU HG . 16412 1 1518 . 1 1 135 135 LEU CA C 13 55.190 0.044 . 1 . . . . 135 LEU CA . 16412 1 1519 . 1 1 135 135 LEU CB C 13 42.326 0.149 . 1 . . . . 135 LEU CB . 16412 1 1520 . 1 1 135 135 LEU CD1 C 13 24.453 0.000 . 2 . . . . 135 LEU CD1 . 16412 1 1521 . 1 1 135 135 LEU CD2 C 13 23.390 0.000 . 2 . . . . 135 LEU CD2 . 16412 1 1522 . 1 1 135 135 LEU CG C 13 27.000 0.000 . 1 . . . . 135 LEU CG . 16412 1 1523 . 1 1 135 135 LEU N N 15 120.071 0.025 . 1 . . . . 135 LEU N . 16412 1 1524 . 1 1 136 136 GLU H H 1 8.111 0.007 . 1 . . . . 136 GLU H . 16412 1 1525 . 1 1 136 136 GLU HA H 1 4.181 0.000 . 1 . . . . 136 GLU HA . 16412 1 1526 . 1 1 136 136 GLU HB2 H 1 1.873 0.023 . 2 . . . . 136 GLU HB2 . 16412 1 1527 . 1 1 136 136 GLU HG2 H 1 2.197 0.009 . 2 . . . . 136 GLU HG2 . 16412 1 1528 . 1 1 136 136 GLU HG3 H 1 2.108 0.007 . 2 . . . . 136 GLU HG3 . 16412 1 1529 . 1 1 136 136 GLU CA C 13 56.459 0.000 . 1 . . . . 136 GLU CA . 16412 1 1530 . 1 1 136 136 GLU CG C 13 36.113 0.000 . 1 . . . . 136 GLU CG . 16412 1 1531 . 1 1 136 136 GLU N N 15 120.772 0.023 . 1 . . . . 136 GLU N . 16412 1 stop_ save_