data_16411 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16411 _Entry.Title ; Solution structure of Rtt103 CTD interacting domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-20 _Entry.Accession_date 2009-07-20 _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 SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bradley Lunde . M. . 16411 2 Steve Reichow . . . 16411 3 Minkyu Kim . . . 16411 4 Thomas Leeper . C. . 16411 5 Roland Becker . . . 16411 6 Stephen Buratowski . . . 16411 7 Anton Meinhart . . . 16411 8 Gabriele Varani . . . 16411 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' . 16411 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CTD-interacting domain' . 16411 phosphoprotein . 16411 'RNA polymerase II binding protein' . 16411 'transcription termination' . 16411 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16411 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 570 16411 '15N chemical shifts' 150 16411 '1H chemical shifts' 1016 16411 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 2009-07-20 update BMRB 'update entry citation' 16411 1 . . 2010-09-17 2009-07-20 original author 'original release' 16411 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KM4 'BMRB Entry Tracking System' 16411 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16411 _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. . 16411 1 2 Steve Reichow . L. . 16411 1 3 Minkyu Kim . . . 16411 1 4 Hyunsuk Suh . . . 16411 1 5 Thomas Leeper . C. . 16411 1 6 Fan Yang . . . 16411 1 7 Hannes Mutschler . . . 16411 1 8 Stephen Buratowski . . . 16411 1 9 Anton Meinhart . . . 16411 1 10 Gabriele Varani . . . 16411 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16411 _Assembly.ID 1 _Assembly.Name 'Rtt103 CTD interacting domain' _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 CTD interacting domain' 1 $entity A . yes native no no . . Rtt103 16411 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16411 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Rtt103 CTD interacting domain' _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 15885.456 _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 16412 . "Rtt103 bound to CTD peptide" . . . . . 100.00 142 100.00 100.00 7.17e-99 . . . . 16411 1 2 no BMRB 17044 . Rtt103 . . . . . 100.00 142 100.00 100.00 7.17e-99 . . . . 16411 1 3 no PDB 2KM4 . "Solution Structure Of Rtt103 Ctd Interacting Domain" . . . . . 100.00 142 100.00 100.00 7.17e-99 . . . . 16411 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 . . . . 16411 1 5 no DBJ GAA22510 . "K7_Rtt103p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 92.25 407 97.71 98.47 6.33e-85 . . . . 16411 1 6 no EMBL CAY78790 . "Rtt103p [Saccharomyces cerevisiae EC1118]" . . . . . 92.25 408 98.47 98.47 1.76e-85 . . . . 16411 1 7 no GB AAB64467 . "Ydr289cp [Saccharomyces cerevisiae]" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16411 1 8 no GB AAS56119 . "YDR289C [Saccharomyces cerevisiae]" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16411 1 9 no GB AHY75263 . "Rtt103p [Saccharomyces cerevisiae YJM993]" . . . . . 92.25 408 98.47 98.47 1.76e-85 . . . . 16411 1 10 no GB AJP37990 . "Rtt103p [Saccharomyces cerevisiae YJM1078]" . . . . . 92.25 408 98.47 98.47 1.82e-85 . . . . 16411 1 11 no GB AJU58113 . "Rtt103p [Saccharomyces cerevisiae YJM189]" . . . . . 92.25 408 98.47 98.47 1.76e-85 . . . . 16411 1 12 no REF NP_010575 . "Rtt103p [Saccharomyces cerevisiae S288c]" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16411 1 13 no SP Q05543 . "RecName: Full=Regulator of Ty1 transposition protein 103" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16411 1 14 no TPG DAA12129 . "TPA: Rtt103p [Saccharomyces cerevisiae S288c]" . . . . . 92.25 409 99.24 99.24 2.16e-86 . . . . 16411 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 . 16411 1 2 . ALA . 16411 1 3 . PHE . 16411 1 4 . SER . 16411 1 5 . SER . 16411 1 6 . GLU . 16411 1 7 . GLN . 16411 1 8 . PHE . 16411 1 9 . THR . 16411 1 10 . THR . 16411 1 11 . LYS . 16411 1 12 . LEU . 16411 1 13 . ASN . 16411 1 14 . THR . 16411 1 15 . LEU . 16411 1 16 . GLU . 16411 1 17 . ASP . 16411 1 18 . SER . 16411 1 19 . GLN . 16411 1 20 . GLU . 16411 1 21 . SER . 16411 1 22 . ILE . 16411 1 23 . SER . 16411 1 24 . SER . 16411 1 25 . ALA . 16411 1 26 . SER . 16411 1 27 . LYS . 16411 1 28 . TRP . 16411 1 29 . LEU . 16411 1 30 . LEU . 16411 1 31 . LEU . 16411 1 32 . GLN . 16411 1 33 . TYR . 16411 1 34 . ARG . 16411 1 35 . ASP . 16411 1 36 . ALA . 16411 1 37 . PRO . 16411 1 38 . LYS . 16411 1 39 . VAL . 16411 1 40 . ALA . 16411 1 41 . GLU . 16411 1 42 . MET . 16411 1 43 . TRP . 16411 1 44 . LYS . 16411 1 45 . GLU . 16411 1 46 . TYR . 16411 1 47 . MET . 16411 1 48 . LEU . 16411 1 49 . ARG . 16411 1 50 . PRO . 16411 1 51 . SER . 16411 1 52 . VAL . 16411 1 53 . ASN . 16411 1 54 . THR . 16411 1 55 . ARG . 16411 1 56 . ARG . 16411 1 57 . LYS . 16411 1 58 . LEU . 16411 1 59 . LEU . 16411 1 60 . GLY . 16411 1 61 . LEU . 16411 1 62 . TYR . 16411 1 63 . LEU . 16411 1 64 . MET . 16411 1 65 . ASN . 16411 1 66 . HIS . 16411 1 67 . VAL . 16411 1 68 . VAL . 16411 1 69 . GLN . 16411 1 70 . GLN . 16411 1 71 . ALA . 16411 1 72 . LYS . 16411 1 73 . GLY . 16411 1 74 . GLN . 16411 1 75 . LYS . 16411 1 76 . ILE . 16411 1 77 . ILE . 16411 1 78 . GLN . 16411 1 79 . PHE . 16411 1 80 . GLN . 16411 1 81 . ASP . 16411 1 82 . SER . 16411 1 83 . PHE . 16411 1 84 . GLY . 16411 1 85 . LYS . 16411 1 86 . VAL . 16411 1 87 . ALA . 16411 1 88 . ALA . 16411 1 89 . GLU . 16411 1 90 . VAL . 16411 1 91 . LEU . 16411 1 92 . GLY . 16411 1 93 . ARG . 16411 1 94 . ILE . 16411 1 95 . ASN . 16411 1 96 . GLN . 16411 1 97 . GLU . 16411 1 98 . PHE . 16411 1 99 . PRO . 16411 1 100 . ARG . 16411 1 101 . ASP . 16411 1 102 . LEU . 16411 1 103 . LYS . 16411 1 104 . LYS . 16411 1 105 . LYS . 16411 1 106 . LEU . 16411 1 107 . SER . 16411 1 108 . ARG . 16411 1 109 . VAL . 16411 1 110 . VAL . 16411 1 111 . ASN . 16411 1 112 . ILE . 16411 1 113 . LEU . 16411 1 114 . LYS . 16411 1 115 . GLU . 16411 1 116 . ARG . 16411 1 117 . ASN . 16411 1 118 . ILE . 16411 1 119 . PHE . 16411 1 120 . SER . 16411 1 121 . LYS . 16411 1 122 . GLN . 16411 1 123 . VAL . 16411 1 124 . VAL . 16411 1 125 . ASN . 16411 1 126 . ASP . 16411 1 127 . ILE . 16411 1 128 . GLU . 16411 1 129 . ARG . 16411 1 130 . SER . 16411 1 131 . LEU . 16411 1 132 . ALA . 16411 1 133 . ALA . 16411 1 134 . ALA . 16411 1 135 . LEU . 16411 1 136 . GLU . 16411 1 137 . HIS . 16411 1 138 . HIS . 16411 1 139 . HIS . 16411 1 140 . HIS . 16411 1 141 . HIS . 16411 1 142 . HIS . 16411 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 16411 1 . ALA 2 2 16411 1 . PHE 3 3 16411 1 . SER 4 4 16411 1 . SER 5 5 16411 1 . GLU 6 6 16411 1 . GLN 7 7 16411 1 . PHE 8 8 16411 1 . THR 9 9 16411 1 . THR 10 10 16411 1 . LYS 11 11 16411 1 . LEU 12 12 16411 1 . ASN 13 13 16411 1 . THR 14 14 16411 1 . LEU 15 15 16411 1 . GLU 16 16 16411 1 . ASP 17 17 16411 1 . SER 18 18 16411 1 . GLN 19 19 16411 1 . GLU 20 20 16411 1 . SER 21 21 16411 1 . ILE 22 22 16411 1 . SER 23 23 16411 1 . SER 24 24 16411 1 . ALA 25 25 16411 1 . SER 26 26 16411 1 . LYS 27 27 16411 1 . TRP 28 28 16411 1 . LEU 29 29 16411 1 . LEU 30 30 16411 1 . LEU 31 31 16411 1 . GLN 32 32 16411 1 . TYR 33 33 16411 1 . ARG 34 34 16411 1 . ASP 35 35 16411 1 . ALA 36 36 16411 1 . PRO 37 37 16411 1 . LYS 38 38 16411 1 . VAL 39 39 16411 1 . ALA 40 40 16411 1 . GLU 41 41 16411 1 . MET 42 42 16411 1 . TRP 43 43 16411 1 . LYS 44 44 16411 1 . GLU 45 45 16411 1 . TYR 46 46 16411 1 . MET 47 47 16411 1 . LEU 48 48 16411 1 . ARG 49 49 16411 1 . PRO 50 50 16411 1 . SER 51 51 16411 1 . VAL 52 52 16411 1 . ASN 53 53 16411 1 . THR 54 54 16411 1 . ARG 55 55 16411 1 . ARG 56 56 16411 1 . LYS 57 57 16411 1 . LEU 58 58 16411 1 . LEU 59 59 16411 1 . GLY 60 60 16411 1 . LEU 61 61 16411 1 . TYR 62 62 16411 1 . LEU 63 63 16411 1 . MET 64 64 16411 1 . ASN 65 65 16411 1 . HIS 66 66 16411 1 . VAL 67 67 16411 1 . VAL 68 68 16411 1 . GLN 69 69 16411 1 . GLN 70 70 16411 1 . ALA 71 71 16411 1 . LYS 72 72 16411 1 . GLY 73 73 16411 1 . GLN 74 74 16411 1 . LYS 75 75 16411 1 . ILE 76 76 16411 1 . ILE 77 77 16411 1 . GLN 78 78 16411 1 . PHE 79 79 16411 1 . GLN 80 80 16411 1 . ASP 81 81 16411 1 . SER 82 82 16411 1 . PHE 83 83 16411 1 . GLY 84 84 16411 1 . LYS 85 85 16411 1 . VAL 86 86 16411 1 . ALA 87 87 16411 1 . ALA 88 88 16411 1 . GLU 89 89 16411 1 . VAL 90 90 16411 1 . LEU 91 91 16411 1 . GLY 92 92 16411 1 . ARG 93 93 16411 1 . ILE 94 94 16411 1 . ASN 95 95 16411 1 . GLN 96 96 16411 1 . GLU 97 97 16411 1 . PHE 98 98 16411 1 . PRO 99 99 16411 1 . ARG 100 100 16411 1 . ASP 101 101 16411 1 . LEU 102 102 16411 1 . LYS 103 103 16411 1 . LYS 104 104 16411 1 . LYS 105 105 16411 1 . LEU 106 106 16411 1 . SER 107 107 16411 1 . ARG 108 108 16411 1 . VAL 109 109 16411 1 . VAL 110 110 16411 1 . ASN 111 111 16411 1 . ILE 112 112 16411 1 . LEU 113 113 16411 1 . LYS 114 114 16411 1 . GLU 115 115 16411 1 . ARG 116 116 16411 1 . ASN 117 117 16411 1 . ILE 118 118 16411 1 . PHE 119 119 16411 1 . SER 120 120 16411 1 . LYS 121 121 16411 1 . GLN 122 122 16411 1 . VAL 123 123 16411 1 . VAL 124 124 16411 1 . ASN 125 125 16411 1 . ASP 126 126 16411 1 . ILE 127 127 16411 1 . GLU 128 128 16411 1 . ARG 129 129 16411 1 . SER 130 130 16411 1 . LEU 131 131 16411 1 . ALA 132 132 16411 1 . ALA 133 133 16411 1 . ALA 134 134 16411 1 . LEU 135 135 16411 1 . GLU 136 136 16411 1 . HIS 137 137 16411 1 . HIS 138 138 16411 1 . HIS 139 139 16411 1 . HIS 140 140 16411 1 . HIS 141 141 16411 1 . HIS 142 142 16411 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 16411 _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 . . . . . . . . . . . . . . . . . . . . . 16411 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 16411 _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)RIL . . . . . . . . . . . . . . . pET28b . . . . . . 16411 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16411 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rtt103 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . . 0.5 1 mM . . . . 16411 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16411 1 3 'potassium phosphate' 'natural abundance' . . . . . . 35 . . mM . . . . 16411 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16411 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16411 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16411 _Sample.ID 2 _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 Rtt103 'natural abundance' . . 1 $entity . . . 0.5 1 mM . . . . 16411 2 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16411 2 3 'potassium phosphate' 'natural abundance' . . . . . . 35 . . mM . . . . 16411 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16411 2 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 16411 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 16411 1 pH 6.8 . pH 16411 1 pressure 1 . atm 16411 1 temperature 298 . K 16411 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16411 _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' . . 16411 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16411 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 16411 _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 16411 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16411 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16411 _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 16411 _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 . . . 16411 1 2 spectrometer_2 Bruker DMX . 750 . . . 16411 1 3 spectrometer_3 Bruker DMX . 600 . . . 16411 1 4 spectrometer_4 Varian INOVA . 800 . . . 16411 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 16411 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16411 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16411 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16411 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16411 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16411 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16411 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16411 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16411 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16411 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16411 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 16411 _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 . . . . . . . . . 16411 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16411 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16411 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 16411 _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' . . . 16411 1 2 '3D 1H-15N NOESY' . . . 16411 1 3 '3D 1H-13C NOESY' . . . 16411 1 4 '3D HNCO' . . . 16411 1 5 '3D CBCA(CO)NH' . . . 16411 1 7 '2D 1H-1H NOESY' . . . 16411 1 8 '3D HNCACB' . . . 16411 1 9 '3D HCCH-TOCSY' . . . 16411 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 4.144 0.002 . 1 . . . . 2 ALA HA . 16411 1 2 . 1 1 2 2 ALA HB1 H 1 1.506 0.005 . . . . . . 2 ALA QB . 16411 1 3 . 1 1 2 2 ALA HB2 H 1 1.506 0.005 . . . . . . 2 ALA QB . 16411 1 4 . 1 1 2 2 ALA HB3 H 1 1.506 0.005 . . . . . . 2 ALA QB . 16411 1 5 . 1 1 2 2 ALA CA C 13 51.746 0.074 . 1 . . . . 2 ALA CA . 16411 1 6 . 1 1 2 2 ALA CB C 13 19.668 0.065 . 1 . . . . 2 ALA CB . 16411 1 7 . 1 1 3 3 PHE H H 1 7.518 0.002 . 1 . . . . 3 PHE H . 16411 1 8 . 1 1 3 3 PHE HA H 1 4.702 0.006 . 1 . . . . 3 PHE HA . 16411 1 9 . 1 1 3 3 PHE HB2 H 1 3.168 0.008 . 2 . . . . 3 PHE HB2 . 16411 1 10 . 1 1 3 3 PHE HB3 H 1 2.897 0.007 . 2 . . . . 3 PHE HB3 . 16411 1 11 . 1 1 3 3 PHE HD1 H 1 7.144 0.014 . 3 . . . . 3 PHE QD . 16411 1 12 . 1 1 3 3 PHE HD2 H 1 7.144 0.014 . 3 . . . . 3 PHE QD . 16411 1 13 . 1 1 3 3 PHE C C 13 174.224 0.000 . 1 . . . . 3 PHE C . 16411 1 14 . 1 1 3 3 PHE CA C 13 58.011 0.000 . 1 . . . . 3 PHE CA . 16411 1 15 . 1 1 3 3 PHE CB C 13 40.374 0.052 . 1 . . . . 3 PHE CB . 16411 1 16 . 1 1 3 3 PHE N N 15 120.618 0.000 . 1 . . . . 3 PHE N . 16411 1 17 . 1 1 4 4 SER H H 1 7.921 0.008 . 1 . . . . 4 SER H . 16411 1 18 . 1 1 4 4 SER HA H 1 4.685 0.004 . 1 . . . . 4 SER HA . 16411 1 19 . 1 1 4 4 SER HB2 H 1 4.139 0.006 . 2 . . . . 4 SER HB2 . 16411 1 20 . 1 1 4 4 SER HB3 H 1 3.885 0.013 . 2 . . . . 4 SER HB3 . 16411 1 21 . 1 1 4 4 SER CA C 13 55.896 0.000 . 1 . . . . 4 SER CA . 16411 1 22 . 1 1 4 4 SER CB C 13 64.709 0.064 . 1 . . . . 4 SER CB . 16411 1 23 . 1 1 4 4 SER N N 15 119.929 0.142 . 1 . . . . 4 SER N . 16411 1 24 . 1 1 5 5 SER C C 13 177.045 0.000 . 1 . . . . 5 SER C . 16411 1 25 . 1 1 6 6 GLU H H 1 8.800 0.003 . 1 . . . . 6 GLU H . 16411 1 26 . 1 1 6 6 GLU HA H 1 4.118 0.006 . 1 . . . . 6 GLU HA . 16411 1 27 . 1 1 6 6 GLU HB2 H 1 2.065 0.007 . 2 . . . . 6 GLU HB2 . 16411 1 28 . 1 1 6 6 GLU HB3 H 1 1.968 0.012 . 2 . . . . 6 GLU HB3 . 16411 1 29 . 1 1 6 6 GLU HG2 H 1 2.304 0.012 . 2 . . . . 6 GLU QG . 16411 1 30 . 1 1 6 6 GLU HG3 H 1 2.304 0.012 . 2 . . . . 6 GLU QG . 16411 1 31 . 1 1 6 6 GLU C C 13 179.167 0.000 . 1 . . . . 6 GLU C . 16411 1 32 . 1 1 6 6 GLU CA C 13 59.883 0.092 . 1 . . . . 6 GLU CA . 16411 1 33 . 1 1 6 6 GLU CB C 13 29.044 0.091 . 1 . . . . 6 GLU CB . 16411 1 34 . 1 1 6 6 GLU CG C 13 36.063 0.126 . 1 . . . . 6 GLU CG . 16411 1 35 . 1 1 6 6 GLU N N 15 122.729 0.032 . 1 . . . . 6 GLU N . 16411 1 36 . 1 1 7 7 GLN H H 1 7.958 0.010 . 1 . . . . 7 GLN H . 16411 1 37 . 1 1 7 7 GLN HA H 1 3.998 0.010 . 1 . . . . 7 GLN HA . 16411 1 38 . 1 1 7 7 GLN HB2 H 1 2.292 0.007 . 2 . . . . 7 GLN HB2 . 16411 1 39 . 1 1 7 7 GLN HB3 H 1 2.074 0.013 . 2 . . . . 7 GLN HB3 . 16411 1 40 . 1 1 7 7 GLN HE21 H 1 7.495 0.010 . 2 . . . . 7 GLN HE21 . 16411 1 41 . 1 1 7 7 GLN HE22 H 1 6.969 0.007 . 2 . . . . 7 GLN HE22 . 16411 1 42 . 1 1 7 7 GLN HG2 H 1 2.441 0.016 . 2 . . . . 7 GLN HG2 . 16411 1 43 . 1 1 7 7 GLN HG3 H 1 2.289 0.008 . 2 . . . . 7 GLN HG3 . 16411 1 44 . 1 1 7 7 GLN C C 13 178.777 0.000 . 1 . . . . 7 GLN C . 16411 1 45 . 1 1 7 7 GLN CA C 13 58.771 0.113 . 1 . . . . 7 GLN CA . 16411 1 46 . 1 1 7 7 GLN CB C 13 29.089 0.051 . 1 . . . . 7 GLN CB . 16411 1 47 . 1 1 7 7 GLN CG C 13 34.333 0.157 . 1 . . . . 7 GLN CG . 16411 1 48 . 1 1 7 7 GLN N N 15 119.369 0.042 . 1 . . . . 7 GLN N . 16411 1 49 . 1 1 7 7 GLN NE2 N 15 111.735 0.069 . 1 . . . . 7 GLN NE2 . 16411 1 50 . 1 1 8 8 PHE H H 1 8.145 0.006 . 1 . . . . 8 PHE H . 16411 1 51 . 1 1 8 8 PHE HA H 1 4.458 0.008 . 1 . . . . 8 PHE HA . 16411 1 52 . 1 1 8 8 PHE HB2 H 1 3.578 0.011 . 2 . . . . 8 PHE HB2 . 16411 1 53 . 1 1 8 8 PHE HB3 H 1 3.522 0.011 . 2 . . . . 8 PHE HB3 . 16411 1 54 . 1 1 8 8 PHE HD1 H 1 7.545 0.010 . 3 . . . . 8 PHE QD . 16411 1 55 . 1 1 8 8 PHE HD2 H 1 7.545 0.010 . 3 . . . . 8 PHE QD . 16411 1 56 . 1 1 8 8 PHE HE1 H 1 7.446 0.009 . 3 . . . . 8 PHE QE . 16411 1 57 . 1 1 8 8 PHE HE2 H 1 7.446 0.009 . 3 . . . . 8 PHE QE . 16411 1 58 . 1 1 8 8 PHE HZ H 1 7.238 0.009 . 1 . . . . 8 PHE HZ . 16411 1 59 . 1 1 8 8 PHE C C 13 176.456 0.000 . 1 . . . . 8 PHE C . 16411 1 60 . 1 1 8 8 PHE CA C 13 59.964 0.031 . 1 . . . . 8 PHE CA . 16411 1 61 . 1 1 8 8 PHE CB C 13 39.263 0.085 . 1 . . . . 8 PHE CB . 16411 1 62 . 1 1 8 8 PHE N N 15 119.881 0.042 . 1 . . . . 8 PHE N . 16411 1 63 . 1 1 9 9 THR H H 1 8.702 0.005 . 1 . . . . 9 THR H . 16411 1 64 . 1 1 9 9 THR HA H 1 3.554 0.007 . 1 . . . . 9 THR HA . 16411 1 65 . 1 1 9 9 THR HB H 1 4.319 0.007 . 1 . . . . 9 THR HB . 16411 1 66 . 1 1 9 9 THR HG21 H 1 1.313 0.005 . . . . . . 9 THR QG2 . 16411 1 67 . 1 1 9 9 THR HG22 H 1 1.313 0.005 . . . . . . 9 THR QG2 . 16411 1 68 . 1 1 9 9 THR HG23 H 1 1.313 0.005 . . . . . . 9 THR QG2 . 16411 1 69 . 1 1 9 9 THR C C 13 176.025 0.000 . 1 . . . . 9 THR C . 16411 1 70 . 1 1 9 9 THR CA C 13 67.342 0.071 . 1 . . . . 9 THR CA . 16411 1 71 . 1 1 9 9 THR CB C 13 68.482 0.027 . 1 . . . . 9 THR CB . 16411 1 72 . 1 1 9 9 THR CG2 C 13 22.242 0.047 . 1 . . . . 9 THR CG2 . 16411 1 73 . 1 1 9 9 THR N N 15 116.073 0.049 . 1 . . . . 9 THR N . 16411 1 74 . 1 1 10 10 THR H H 1 8.116 0.006 . 1 . . . . 10 THR H . 16411 1 75 . 1 1 10 10 THR HA H 1 3.897 0.005 . 1 . . . . 10 THR HA . 16411 1 76 . 1 1 10 10 THR HB H 1 4.118 0.008 . 1 . . . . 10 THR HB . 16411 1 77 . 1 1 10 10 THR HG21 H 1 1.121 0.004 . . . . . . 10 THR QG2 . 16411 1 78 . 1 1 10 10 THR HG22 H 1 1.121 0.004 . . . . . . 10 THR QG2 . 16411 1 79 . 1 1 10 10 THR HG23 H 1 1.121 0.004 . . . . . . 10 THR QG2 . 16411 1 80 . 1 1 10 10 THR C C 13 176.793 0.000 . 1 . . . . 10 THR C . 16411 1 81 . 1 1 10 10 THR CA C 13 66.898 0.060 . 1 . . . . 10 THR CA . 16411 1 82 . 1 1 10 10 THR CB C 13 68.381 0.078 . 1 . . . . 10 THR CB . 16411 1 83 . 1 1 10 10 THR CG2 C 13 21.625 0.058 . 1 . . . . 10 THR CG2 . 16411 1 84 . 1 1 10 10 THR N N 15 117.663 0.108 . 1 . . . . 10 THR N . 16411 1 85 . 1 1 11 11 LYS H H 1 7.768 0.009 . 1 . . . . 11 LYS H . 16411 1 86 . 1 1 11 11 LYS HA H 1 3.708 0.013 . 1 . . . . 11 LYS HA . 16411 1 87 . 1 1 11 11 LYS HB2 H 1 1.765 0.004 . 2 . . . . 11 LYS HB2 . 16411 1 88 . 1 1 11 11 LYS HB3 H 1 1.426 0.004 . 2 . . . . 11 LYS HB3 . 16411 1 89 . 1 1 11 11 LYS HD2 H 1 1.110 0.012 . 2 . . . . 11 LYS HD2 . 16411 1 90 . 1 1 11 11 LYS HD3 H 1 0.866 0.005 . 2 . . . . 11 LYS HD3 . 16411 1 91 . 1 1 11 11 LYS HE2 H 1 1.788 0.007 . 2 . . . . 11 LYS HE2 . 16411 1 92 . 1 1 11 11 LYS HE3 H 1 1.630 0.009 . 2 . . . . 11 LYS HE3 . 16411 1 93 . 1 1 11 11 LYS HG2 H 1 1.017 0.013 . 2 . . . . 11 LYS HG2 . 16411 1 94 . 1 1 11 11 LYS HG3 H 1 0.838 0.014 . 2 . . . . 11 LYS HG3 . 16411 1 95 . 1 1 11 11 LYS C C 13 179.094 0.000 . 1 . . . . 11 LYS C . 16411 1 96 . 1 1 11 11 LYS CA C 13 58.452 0.115 . 1 . . . . 11 LYS CA . 16411 1 97 . 1 1 11 11 LYS CB C 13 31.118 0.076 . 1 . . . . 11 LYS CB . 16411 1 98 . 1 1 11 11 LYS CD C 13 28.055 0.133 . 1 . . . . 11 LYS CD . 16411 1 99 . 1 1 11 11 LYS CE C 13 40.822 0.078 . 1 . . . . 11 LYS CE . 16411 1 100 . 1 1 11 11 LYS CG C 13 24.368 0.144 . 1 . . . . 11 LYS CG . 16411 1 101 . 1 1 11 11 LYS N N 15 122.005 0.036 . 1 . . . . 11 LYS N . 16411 1 102 . 1 1 12 12 LEU H H 1 7.911 0.006 . 1 . . . . 12 LEU H . 16411 1 103 . 1 1 12 12 LEU HA H 1 3.671 0.010 . 1 . . . . 12 LEU HA . 16411 1 104 . 1 1 12 12 LEU HB2 H 1 1.114 0.009 . 2 . . . . 12 LEU HB2 . 16411 1 105 . 1 1 12 12 LEU HB3 H 1 0.753 0.009 . 2 . . . . 12 LEU HB3 . 16411 1 106 . 1 1 12 12 LEU HD11 H 1 0.333 0.008 . . . . . . 12 LEU QD1 . 16411 1 107 . 1 1 12 12 LEU HD12 H 1 0.333 0.008 . . . . . . 12 LEU QD1 . 16411 1 108 . 1 1 12 12 LEU HD13 H 1 0.333 0.008 . . . . . . 12 LEU QD1 . 16411 1 109 . 1 1 12 12 LEU HD21 H 1 -0.122 0.007 . . . . . . 12 LEU QD2 . 16411 1 110 . 1 1 12 12 LEU HD22 H 1 -0.122 0.007 . . . . . . 12 LEU QD2 . 16411 1 111 . 1 1 12 12 LEU HD23 H 1 -0.122 0.007 . . . . . . 12 LEU QD2 . 16411 1 112 . 1 1 12 12 LEU HG H 1 0.937 0.008 . 1 . . . . 12 LEU HG . 16411 1 113 . 1 1 12 12 LEU C C 13 178.963 0.000 . 1 . . . . 12 LEU C . 16411 1 114 . 1 1 12 12 LEU CA C 13 57.893 0.034 . 1 . . . . 12 LEU CA . 16411 1 115 . 1 1 12 12 LEU CB C 13 39.996 0.035 . 1 . . . . 12 LEU CB . 16411 1 116 . 1 1 12 12 LEU CD1 C 13 22.734 0.060 . 2 . . . . 12 LEU CD1 . 16411 1 117 . 1 1 12 12 LEU CD2 C 13 23.478 0.072 . 2 . . . . 12 LEU CD2 . 16411 1 118 . 1 1 12 12 LEU CG C 13 27.743 0.057 . 1 . . . . 12 LEU CG . 16411 1 119 . 1 1 12 12 LEU N N 15 119.996 0.112 . 1 . . . . 12 LEU N . 16411 1 120 . 1 1 13 13 ASN H H 1 8.277 0.007 . 1 . . . . 13 ASN H . 16411 1 121 . 1 1 13 13 ASN HA H 1 4.595 0.012 . 1 . . . . 13 ASN HA . 16411 1 122 . 1 1 13 13 ASN HB2 H 1 2.996 0.012 . 2 . . . . 13 ASN HB2 . 16411 1 123 . 1 1 13 13 ASN HB3 H 1 2.930 0.009 . 2 . . . . 13 ASN HB3 . 16411 1 124 . 1 1 13 13 ASN HD21 H 1 7.713 0.004 . 2 . . . . 13 ASN HD21 . 16411 1 125 . 1 1 13 13 ASN HD22 H 1 7.065 0.007 . 2 . . . . 13 ASN HD22 . 16411 1 126 . 1 1 13 13 ASN C C 13 176.432 0.000 . 1 . . . . 13 ASN C . 16411 1 127 . 1 1 13 13 ASN CA C 13 54.447 0.062 . 1 . . . . 13 ASN CA . 16411 1 128 . 1 1 13 13 ASN CB C 13 38.468 0.039 . 1 . . . . 13 ASN CB . 16411 1 129 . 1 1 13 13 ASN N N 15 115.337 0.063 . 1 . . . . 13 ASN N . 16411 1 130 . 1 1 13 13 ASN ND2 N 15 112.802 0.031 . 1 . . . . 13 ASN ND2 . 16411 1 131 . 1 1 14 14 THR H H 1 7.426 0.003 . 1 . . . . 14 THR H . 16411 1 132 . 1 1 14 14 THR HA H 1 4.488 0.012 . 1 . . . . 14 THR HA . 16411 1 133 . 1 1 14 14 THR HB H 1 4.433 0.007 . 1 . . . . 14 THR HB . 16411 1 134 . 1 1 14 14 THR HG21 H 1 1.218 0.007 . . . . . . 14 THR QG2 . 16411 1 135 . 1 1 14 14 THR HG22 H 1 1.218 0.007 . . . . . . 14 THR QG2 . 16411 1 136 . 1 1 14 14 THR HG23 H 1 1.218 0.007 . . . . . . 14 THR QG2 . 16411 1 137 . 1 1 14 14 THR C C 13 174.832 0.000 . 1 . . . . 14 THR C . 16411 1 138 . 1 1 14 14 THR CA C 13 60.840 0.080 . 1 . . . . 14 THR CA . 16411 1 139 . 1 1 14 14 THR CB C 13 70.120 0.060 . 1 . . . . 14 THR CB . 16411 1 140 . 1 1 14 14 THR CG2 C 13 21.322 0.052 . 1 . . . . 14 THR CG2 . 16411 1 141 . 1 1 14 14 THR N N 15 106.315 0.024 . 1 . . . . 14 THR N . 16411 1 142 . 1 1 15 15 LEU H H 1 6.917 0.004 . 1 . . . . 15 LEU H . 16411 1 143 . 1 1 15 15 LEU HA H 1 4.039 0.009 . 1 . . . . 15 LEU HA . 16411 1 144 . 1 1 15 15 LEU HB2 H 1 1.768 0.004 . 2 . . . . 15 LEU HB2 . 16411 1 145 . 1 1 15 15 LEU HB3 H 1 1.431 0.012 . 2 . . . . 15 LEU HB3 . 16411 1 146 . 1 1 15 15 LEU HD11 H 1 0.916 0.008 . . . . . . 15 LEU QD1 . 16411 1 147 . 1 1 15 15 LEU HD12 H 1 0.916 0.008 . . . . . . 15 LEU QD1 . 16411 1 148 . 1 1 15 15 LEU HD13 H 1 0.916 0.008 . . . . . . 15 LEU QD1 . 16411 1 149 . 1 1 15 15 LEU HD21 H 1 0.811 0.007 . . . . . . 15 LEU QD2 . 16411 1 150 . 1 1 15 15 LEU HD22 H 1 0.811 0.007 . . . . . . 15 LEU QD2 . 16411 1 151 . 1 1 15 15 LEU HD23 H 1 0.811 0.007 . . . . . . 15 LEU QD2 . 16411 1 152 . 1 1 15 15 LEU HG H 1 2.118 0.007 . 1 . . . . 15 LEU HG . 16411 1 153 . 1 1 15 15 LEU C C 13 176.081 0.000 . 1 . . . . 15 LEU C . 16411 1 154 . 1 1 15 15 LEU CA C 13 56.107 0.047 . 1 . . . . 15 LEU CA . 16411 1 155 . 1 1 15 15 LEU CB C 13 43.265 0.044 . 1 . . . . 15 LEU CB . 16411 1 156 . 1 1 15 15 LEU CD1 C 13 25.957 0.034 . 2 . . . . 15 LEU CD1 . 16411 1 157 . 1 1 15 15 LEU CD2 C 13 25.030 0.023 . 2 . . . . 15 LEU CD2 . 16411 1 158 . 1 1 15 15 LEU CG C 13 26.054 0.078 . 1 . . . . 15 LEU CG . 16411 1 159 . 1 1 15 15 LEU N N 15 124.343 0.031 . 1 . . . . 15 LEU N . 16411 1 160 . 1 1 16 16 GLU H H 1 8.661 0.012 . 1 . . . . 16 GLU H . 16411 1 161 . 1 1 16 16 GLU HA H 1 4.563 0.006 . 1 . . . . 16 GLU HA . 16411 1 162 . 1 1 16 16 GLU HB2 H 1 2.096 0.006 . 2 . . . . 16 GLU HB2 . 16411 1 163 . 1 1 16 16 GLU HB3 H 1 1.784 0.006 . 2 . . . . 16 GLU HB3 . 16411 1 164 . 1 1 16 16 GLU HG2 H 1 2.318 0.013 . 2 . . . . 16 GLU HG2 . 16411 1 165 . 1 1 16 16 GLU HG3 H 1 2.231 0.008 . 2 . . . . 16 GLU HG3 . 16411 1 166 . 1 1 16 16 GLU C C 13 174.725 0.000 . 1 . . . . 16 GLU C . 16411 1 167 . 1 1 16 16 GLU CA C 13 54.107 0.028 . 1 . . . . 16 GLU CA . 16411 1 168 . 1 1 16 16 GLU CB C 13 33.107 0.058 . 1 . . . . 16 GLU CB . 16411 1 169 . 1 1 16 16 GLU CG C 13 36.173 0.112 . 1 . . . . 16 GLU CG . 16411 1 170 . 1 1 16 16 GLU N N 15 122.124 0.025 . 1 . . . . 16 GLU N . 16411 1 171 . 1 1 17 17 ASP H H 1 8.516 0.005 . 1 . . . . 17 ASP H . 16411 1 172 . 1 1 17 17 ASP HA H 1 4.705 0.007 . 1 . . . . 17 ASP HA . 16411 1 173 . 1 1 17 17 ASP HB2 H 1 2.926 0.013 . 2 . . . . 17 ASP HB2 . 16411 1 174 . 1 1 17 17 ASP HB3 H 1 2.464 0.007 . 2 . . . . 17 ASP HB3 . 16411 1 175 . 1 1 17 17 ASP C C 13 175.515 0.000 . 1 . . . . 17 ASP C . 16411 1 176 . 1 1 17 17 ASP CA C 13 52.425 0.013 . 1 . . . . 17 ASP CA . 16411 1 177 . 1 1 17 17 ASP CB C 13 39.090 0.084 . 1 . . . . 17 ASP CB . 16411 1 178 . 1 1 17 17 ASP N N 15 118.258 0.013 . 1 . . . . 17 ASP N . 16411 1 179 . 1 1 18 18 SER H H 1 8.337 0.007 . 1 . . . . 18 SER H . 16411 1 180 . 1 1 18 18 SER HA H 1 4.643 0.004 . 1 . . . . 18 SER HA . 16411 1 181 . 1 1 18 18 SER HB2 H 1 4.186 0.005 . 2 . . . . 18 SER HB2 . 16411 1 182 . 1 1 18 18 SER HB3 H 1 3.838 0.008 . 2 . . . . 18 SER HB3 . 16411 1 183 . 1 1 18 18 SER C C 13 174.222 0.000 . 1 . . . . 18 SER C . 16411 1 184 . 1 1 18 18 SER CA C 13 56.340 0.015 . 1 . . . . 18 SER CA . 16411 1 185 . 1 1 18 18 SER CB C 13 65.859 0.012 . 1 . . . . 18 SER CB . 16411 1 186 . 1 1 18 18 SER N N 15 117.718 0.045 . 1 . . . . 18 SER N . 16411 1 187 . 1 1 19 19 GLN H H 1 9.043 0.017 . 1 . . . . 19 GLN H . 16411 1 188 . 1 1 19 19 GLN HA H 1 3.983 0.013 . 1 . . . . 19 GLN HA . 16411 1 189 . 1 1 19 19 GLN HB2 H 1 2.058 0.013 . 2 . . . . 19 GLN QB . 16411 1 190 . 1 1 19 19 GLN HB3 H 1 2.058 0.013 . 2 . . . . 19 GLN QB . 16411 1 191 . 1 1 19 19 GLN HE21 H 1 7.549 0.003 . 2 . . . . 19 GLN HE21 . 16411 1 192 . 1 1 19 19 GLN HE22 H 1 6.671 0.025 . 2 . . . . 19 GLN HE22 . 16411 1 193 . 1 1 19 19 GLN HG2 H 1 2.410 0.010 . 2 . . . . 19 GLN QG . 16411 1 194 . 1 1 19 19 GLN HG3 H 1 2.410 0.010 . 2 . . . . 19 GLN QG . 16411 1 195 . 1 1 19 19 GLN C C 13 179.093 0.000 . 1 . . . . 19 GLN C . 16411 1 196 . 1 1 19 19 GLN CA C 13 58.416 0.195 . 1 . . . . 19 GLN CA . 16411 1 197 . 1 1 19 19 GLN CB C 13 28.029 0.149 . 1 . . . . 19 GLN CB . 16411 1 198 . 1 1 19 19 GLN CG C 13 33.723 0.101 . 1 . . . . 19 GLN CG . 16411 1 199 . 1 1 19 19 GLN N N 15 123.489 0.080 . 1 . . . . 19 GLN N . 16411 1 200 . 1 1 19 19 GLN NE2 N 15 111.900 0.033 . 1 . . . . 19 GLN NE2 . 16411 1 201 . 1 1 20 20 GLU H H 1 8.980 0.007 . 1 . . . . 20 GLU H . 16411 1 202 . 1 1 20 20 GLU HA H 1 3.978 0.013 . 1 . . . . 20 GLU HA . 16411 1 203 . 1 1 20 20 GLU HB2 H 1 2.020 0.013 . 2 . . . . 20 GLU HB2 . 16411 1 204 . 1 1 20 20 GLU HB3 H 1 1.901 0.007 . 2 . . . . 20 GLU HB3 . 16411 1 205 . 1 1 20 20 GLU HG2 H 1 2.347 0.010 . 2 . . . . 20 GLU HG2 . 16411 1 206 . 1 1 20 20 GLU HG3 H 1 2.265 0.001 . 2 . . . . 20 GLU HG3 . 16411 1 207 . 1 1 20 20 GLU C C 13 178.391 0.000 . 1 . . . . 20 GLU C . 16411 1 208 . 1 1 20 20 GLU CA C 13 59.881 0.102 . 1 . . . . 20 GLU CA . 16411 1 209 . 1 1 20 20 GLU CB C 13 29.054 0.032 . 1 . . . . 20 GLU CB . 16411 1 210 . 1 1 20 20 GLU CG C 13 36.220 0.048 . 1 . . . . 20 GLU CG . 16411 1 211 . 1 1 20 20 GLU N N 15 119.872 0.030 . 1 . . . . 20 GLU N . 16411 1 212 . 1 1 21 21 SER H H 1 7.807 0.007 . 1 . . . . 21 SER H . 16411 1 213 . 1 1 21 21 SER HA H 1 4.137 0.008 . 1 . . . . 21 SER HA . 16411 1 214 . 1 1 21 21 SER HB2 H 1 4.212 0.011 . 2 . . . . 21 SER HB2 . 16411 1 215 . 1 1 21 21 SER HB3 H 1 3.940 0.015 . 2 . . . . 21 SER HB3 . 16411 1 216 . 1 1 21 21 SER C C 13 178.792 0.000 . 1 . . . . 21 SER C . 16411 1 217 . 1 1 21 21 SER CA C 13 61.209 0.014 . 1 . . . . 21 SER CA . 16411 1 218 . 1 1 21 21 SER CB C 13 63.610 0.054 . 1 . . . . 21 SER CB . 16411 1 219 . 1 1 21 21 SER N N 15 115.289 0.054 . 1 . . . . 21 SER N . 16411 1 220 . 1 1 22 22 ILE H H 1 7.856 0.005 . 1 . . . . 22 ILE H . 16411 1 221 . 1 1 22 22 ILE HA H 1 3.680 0.004 . 1 . . . . 22 ILE HA . 16411 1 222 . 1 1 22 22 ILE HB H 1 1.831 0.006 . 1 . . . . 22 ILE HB . 16411 1 223 . 1 1 22 22 ILE HD11 H 1 0.977 0.011 . . . . . . 22 ILE QD1 . 16411 1 224 . 1 1 22 22 ILE HD12 H 1 0.977 0.011 . . . . . . 22 ILE QD1 . 16411 1 225 . 1 1 22 22 ILE HD13 H 1 0.977 0.011 . . . . . . 22 ILE QD1 . 16411 1 226 . 1 1 22 22 ILE HG12 H 1 1.903 0.011 . 2 . . . . 22 ILE HG12 . 16411 1 227 . 1 1 22 22 ILE HG13 H 1 1.559 0.008 . 2 . . . . 22 ILE HG13 . 16411 1 228 . 1 1 22 22 ILE HG21 H 1 0.636 0.009 . . . . . . 22 ILE QG2 . 16411 1 229 . 1 1 22 22 ILE HG22 H 1 0.636 0.009 . . . . . . 22 ILE QG2 . 16411 1 230 . 1 1 22 22 ILE HG23 H 1 0.636 0.009 . . . . . . 22 ILE QG2 . 16411 1 231 . 1 1 22 22 ILE C C 13 178.355 0.000 . 1 . . . . 22 ILE C . 16411 1 232 . 1 1 22 22 ILE CA C 13 64.010 0.051 . 1 . . . . 22 ILE CA . 16411 1 233 . 1 1 22 22 ILE CB C 13 37.118 0.037 . 1 . . . . 22 ILE CB . 16411 1 234 . 1 1 22 22 ILE CD1 C 13 12.049 0.051 . 1 . . . . 22 ILE CD1 . 16411 1 235 . 1 1 22 22 ILE CG1 C 13 28.735 0.122 . 1 . . . . 22 ILE CG1 . 16411 1 236 . 1 1 22 22 ILE CG2 C 13 17.542 0.066 . 1 . . . . 22 ILE CG2 . 16411 1 237 . 1 1 22 22 ILE N N 15 119.136 0.027 . 1 . . . . 22 ILE N . 16411 1 238 . 1 1 23 23 SER H H 1 8.527 0.005 . 1 . . . . 23 SER H . 16411 1 239 . 1 1 23 23 SER HA H 1 3.704 0.006 . 1 . . . . 23 SER HA . 16411 1 240 . 1 1 23 23 SER HB2 H 1 3.979 0.007 . 2 . . . . 23 SER HB2 . 16411 1 241 . 1 1 23 23 SER HB3 H 1 3.902 0.008 . 2 . . . . 23 SER HB3 . 16411 1 242 . 1 1 23 23 SER C C 13 177.271 0.000 . 1 . . . . 23 SER C . 16411 1 243 . 1 1 23 23 SER CA C 13 61.697 0.078 . 1 . . . . 23 SER CA . 16411 1 244 . 1 1 23 23 SER CB C 13 62.404 0.087 . 1 . . . . 23 SER CB . 16411 1 245 . 1 1 23 23 SER N N 15 114.964 0.013 . 1 . . . . 23 SER N . 16411 1 246 . 1 1 24 24 SER H H 1 8.054 0.007 . 1 . . . . 24 SER H . 16411 1 247 . 1 1 24 24 SER HA H 1 4.246 0.011 . 1 . . . . 24 SER HA . 16411 1 248 . 1 1 24 24 SER HB2 H 1 4.064 0.007 . 2 . . . . 24 SER HB2 . 16411 1 249 . 1 1 24 24 SER HB3 H 1 3.963 0.009 . 2 . . . . 24 SER HB3 . 16411 1 250 . 1 1 24 24 SER C C 13 177.670 0.000 . 1 . . . . 24 SER C . 16411 1 251 . 1 1 24 24 SER CA C 13 61.550 0.127 . 1 . . . . 24 SER CA . 16411 1 252 . 1 1 24 24 SER CB C 13 62.471 0.028 . 1 . . . . 24 SER CB . 16411 1 253 . 1 1 24 24 SER N N 15 116.838 0.022 . 1 . . . . 24 SER N . 16411 1 254 . 1 1 25 25 ALA H H 1 7.756 0.005 . 1 . . . . 25 ALA H . 16411 1 255 . 1 1 25 25 ALA HA H 1 4.284 0.007 . 1 . . . . 25 ALA HA . 16411 1 256 . 1 1 25 25 ALA HB1 H 1 1.485 0.006 . . . . . . 25 ALA QB . 16411 1 257 . 1 1 25 25 ALA HB2 H 1 1.485 0.006 . . . . . . 25 ALA QB . 16411 1 258 . 1 1 25 25 ALA HB3 H 1 1.485 0.006 . . . . . . 25 ALA QB . 16411 1 259 . 1 1 25 25 ALA C C 13 178.996 0.000 . 1 . . . . 25 ALA C . 16411 1 260 . 1 1 25 25 ALA CA C 13 55.414 0.105 . 1 . . . . 25 ALA CA . 16411 1 261 . 1 1 25 25 ALA CB C 13 18.775 0.060 . 1 . . . . 25 ALA CB . 16411 1 262 . 1 1 25 25 ALA N N 15 124.330 0.029 . 1 . . . . 25 ALA N . 16411 1 263 . 1 1 26 26 SER H H 1 8.387 0.005 . 1 . . . . 26 SER H . 16411 1 264 . 1 1 26 26 SER HA H 1 4.006 0.010 . 1 . . . . 26 SER HA . 16411 1 265 . 1 1 26 26 SER HB2 H 1 3.893 0.016 . 2 . . . . 26 SER HB2 . 16411 1 266 . 1 1 26 26 SER HB3 H 1 3.819 0.008 . 2 . . . . 26 SER HB3 . 16411 1 267 . 1 1 26 26 SER C C 13 175.906 0.000 . 1 . . . . 26 SER C . 16411 1 268 . 1 1 26 26 SER CA C 13 61.431 0.068 . 1 . . . . 26 SER CA . 16411 1 269 . 1 1 26 26 SER CB C 13 63.240 0.067 . 1 . . . . 26 SER CB . 16411 1 270 . 1 1 26 26 SER N N 15 114.509 0.042 . 1 . . . . 26 SER N . 16411 1 271 . 1 1 27 27 LYS H H 1 8.192 0.006 . 1 . . . . 27 LYS H . 16411 1 272 . 1 1 27 27 LYS HA H 1 3.960 0.009 . 1 . . . . 27 LYS HA . 16411 1 273 . 1 1 27 27 LYS HB2 H 1 2.033 0.010 . 2 . . . . 27 LYS HB2 . 16411 1 274 . 1 1 27 27 LYS HB3 H 1 1.993 0.016 . 2 . . . . 27 LYS HB3 . 16411 1 275 . 1 1 27 27 LYS HD2 H 1 1.730 0.011 . 2 . . . . 27 LYS QD . 16411 1 276 . 1 1 27 27 LYS HD3 H 1 1.730 0.011 . 2 . . . . 27 LYS QD . 16411 1 277 . 1 1 27 27 LYS HE2 H 1 2.994 0.006 . 2 . . . . 27 LYS QE . 16411 1 278 . 1 1 27 27 LYS HE3 H 1 2.994 0.006 . 2 . . . . 27 LYS QE . 16411 1 279 . 1 1 27 27 LYS HG2 H 1 1.508 0.007 . 2 . . . . 27 LYS QG . 16411 1 280 . 1 1 27 27 LYS HG3 H 1 1.508 0.007 . 2 . . . . 27 LYS QG . 16411 1 281 . 1 1 27 27 LYS C C 13 178.855 0.000 . 1 . . . . 27 LYS C . 16411 1 282 . 1 1 27 27 LYS CA C 13 59.874 0.141 . 1 . . . . 27 LYS CA . 16411 1 283 . 1 1 27 27 LYS CB C 13 32.621 0.022 . 1 . . . . 27 LYS CB . 16411 1 284 . 1 1 27 27 LYS CD C 13 29.413 0.143 . 1 . . . . 27 LYS CD . 16411 1 285 . 1 1 27 27 LYS CE C 13 42.214 0.058 . 1 . . . . 27 LYS CE . 16411 1 286 . 1 1 27 27 LYS CG C 13 25.357 0.074 . 1 . . . . 27 LYS CG . 16411 1 287 . 1 1 27 27 LYS N N 15 120.056 0.014 . 1 . . . . 27 LYS N . 16411 1 288 . 1 1 28 28 TRP H H 1 7.482 0.006 . 1 . . . . 28 TRP H . 16411 1 289 . 1 1 28 28 TRP HA H 1 4.279 0.008 . 1 . . . . 28 TRP HA . 16411 1 290 . 1 1 28 28 TRP HB2 H 1 3.408 0.015 . 2 . . . . 28 TRP HB2 . 16411 1 291 . 1 1 28 28 TRP HB3 H 1 3.568 0.013 . 2 . . . . 28 TRP HB3 . 16411 1 292 . 1 1 28 28 TRP HD1 H 1 7.458 0.003 . 1 . . . . 28 TRP HD1 . 16411 1 293 . 1 1 28 28 TRP HE1 H 1 10.357 0.003 . 1 . . . . 28 TRP HE1 . 16411 1 294 . 1 1 28 28 TRP HE3 H 1 7.551 0.009 . 1 . . . . 28 TRP HE3 . 16411 1 295 . 1 1 28 28 TRP HH2 H 1 6.901 0.008 . 1 . . . . 28 TRP HH2 . 16411 1 296 . 1 1 28 28 TRP HZ2 H 1 7.532 0.008 . 1 . . . . 28 TRP HZ2 . 16411 1 297 . 1 1 28 28 TRP HZ3 H 1 6.819 0.009 . 1 . . . . 28 TRP HZ3 . 16411 1 298 . 1 1 28 28 TRP C C 13 178.815 0.000 . 1 . . . . 28 TRP C . 16411 1 299 . 1 1 28 28 TRP CA C 13 61.624 0.044 . 1 . . . . 28 TRP CA . 16411 1 300 . 1 1 28 28 TRP CB C 13 27.952 0.042 . 1 . . . . 28 TRP CB . 16411 1 301 . 1 1 28 28 TRP N N 15 118.413 0.017 . 1 . . . . 28 TRP N . 16411 1 302 . 1 1 28 28 TRP NE1 N 15 131.580 0.016 . 1 . . . . 28 TRP NE1 . 16411 1 303 . 1 1 29 29 LEU H H 1 8.400 0.009 . 1 . . . . 29 LEU H . 16411 1 304 . 1 1 29 29 LEU HA H 1 3.588 0.005 . 1 . . . . 29 LEU HA . 16411 1 305 . 1 1 29 29 LEU HB2 H 1 2.002 0.009 . 2 . . . . 29 LEU HB2 . 16411 1 306 . 1 1 29 29 LEU HB3 H 1 1.286 0.004 . 2 . . . . 29 LEU HB3 . 16411 1 307 . 1 1 29 29 LEU HD11 H 1 0.921 0.014 . . . . . . 29 LEU QD1 . 16411 1 308 . 1 1 29 29 LEU HD12 H 1 0.921 0.014 . . . . . . 29 LEU QD1 . 16411 1 309 . 1 1 29 29 LEU HD13 H 1 0.921 0.014 . . . . . . 29 LEU QD1 . 16411 1 310 . 1 1 29 29 LEU HD21 H 1 0.808 0.010 . . . . . . 29 LEU QD2 . 16411 1 311 . 1 1 29 29 LEU HD22 H 1 0.808 0.010 . . . . . . 29 LEU QD2 . 16411 1 312 . 1 1 29 29 LEU HD23 H 1 0.808 0.010 . . . . . . 29 LEU QD2 . 16411 1 313 . 1 1 29 29 LEU HG H 1 1.999 0.009 . 1 . . . . 29 LEU HG . 16411 1 314 . 1 1 29 29 LEU C C 13 179.675 0.000 . 1 . . . . 29 LEU C . 16411 1 315 . 1 1 29 29 LEU CA C 13 57.705 0.088 . 1 . . . . 29 LEU CA . 16411 1 316 . 1 1 29 29 LEU CB C 13 42.311 0.033 . 1 . . . . 29 LEU CB . 16411 1 317 . 1 1 29 29 LEU CD1 C 13 25.870 0.053 . 2 . . . . 29 LEU CD1 . 16411 1 318 . 1 1 29 29 LEU CD2 C 13 24.833 0.390 . 2 . . . . 29 LEU CD2 . 16411 1 319 . 1 1 29 29 LEU CG C 13 27.185 0.043 . 1 . . . . 29 LEU CG . 16411 1 320 . 1 1 29 29 LEU N N 15 119.660 0.109 . 1 . . . . 29 LEU N . 16411 1 321 . 1 1 30 30 LEU H H 1 8.542 0.008 . 1 . . . . 30 LEU H . 16411 1 322 . 1 1 30 30 LEU HA H 1 3.972 0.006 . 1 . . . . 30 LEU HA . 16411 1 323 . 1 1 30 30 LEU HB2 H 1 1.827 0.004 . 2 . . . . 30 LEU HB2 . 16411 1 324 . 1 1 30 30 LEU HB3 H 1 1.527 0.009 . 2 . . . . 30 LEU HB3 . 16411 1 325 . 1 1 30 30 LEU HD11 H 1 0.774 0.015 . . . . . . 30 LEU QD1 . 16411 1 326 . 1 1 30 30 LEU HD12 H 1 0.774 0.015 . . . . . . 30 LEU QD1 . 16411 1 327 . 1 1 30 30 LEU HD13 H 1 0.774 0.015 . . . . . . 30 LEU QD1 . 16411 1 328 . 1 1 30 30 LEU HD21 H 1 0.650 0.013 . . . . . . 30 LEU QD2 . 16411 1 329 . 1 1 30 30 LEU HD22 H 1 0.650 0.013 . . . . . . 30 LEU QD2 . 16411 1 330 . 1 1 30 30 LEU HD23 H 1 0.650 0.013 . . . . . . 30 LEU QD2 . 16411 1 331 . 1 1 30 30 LEU HG H 1 1.724 0.012 . 1 . . . . 30 LEU HG . 16411 1 332 . 1 1 30 30 LEU C C 13 179.738 0.000 . 1 . . . . 30 LEU C . 16411 1 333 . 1 1 30 30 LEU CA C 13 57.833 0.125 . 1 . . . . 30 LEU CA . 16411 1 334 . 1 1 30 30 LEU CB C 13 41.562 0.175 . 1 . . . . 30 LEU CB . 16411 1 335 . 1 1 30 30 LEU CD1 C 13 25.624 0.190 . 2 . . . . 30 LEU CD1 . 16411 1 336 . 1 1 30 30 LEU CD2 C 13 23.767 0.150 . 2 . . . . 30 LEU CD2 . 16411 1 337 . 1 1 30 30 LEU CG C 13 27.725 0.094 . 1 . . . . 30 LEU CG . 16411 1 338 . 1 1 30 30 LEU N N 15 119.150 0.031 . 1 . . . . 30 LEU N . 16411 1 339 . 1 1 31 31 LEU H H 1 7.195 0.010 . 1 . . . . 31 LEU H . 16411 1 340 . 1 1 31 31 LEU HA H 1 4.354 0.008 . 1 . . . . 31 LEU HA . 16411 1 341 . 1 1 31 31 LEU HB2 H 1 1.889 0.012 . 2 . . . . 31 LEU HB2 . 16411 1 342 . 1 1 31 31 LEU HB3 H 1 1.516 0.006 . 2 . . . . 31 LEU HB3 . 16411 1 343 . 1 1 31 31 LEU HD11 H 1 0.992 0.010 . . . . . . 31 LEU QD1 . 16411 1 344 . 1 1 31 31 LEU HD12 H 1 0.992 0.010 . . . . . . 31 LEU QD1 . 16411 1 345 . 1 1 31 31 LEU HD13 H 1 0.992 0.010 . . . . . . 31 LEU QD1 . 16411 1 346 . 1 1 31 31 LEU HD21 H 1 0.970 0.008 . . . . . . 31 LEU QD2 . 16411 1 347 . 1 1 31 31 LEU HD22 H 1 0.970 0.008 . . . . . . 31 LEU QD2 . 16411 1 348 . 1 1 31 31 LEU HD23 H 1 0.970 0.008 . . . . . . 31 LEU QD2 . 16411 1 349 . 1 1 31 31 LEU HG H 1 1.988 0.004 . 1 . . . . 31 LEU HG . 16411 1 350 . 1 1 31 31 LEU C C 13 179.170 0.000 . 1 . . . . 31 LEU C . 16411 1 351 . 1 1 31 31 LEU CA C 13 56.541 0.085 . 1 . . . . 31 LEU CA . 16411 1 352 . 1 1 31 31 LEU CB C 13 41.688 0.031 . 1 . . . . 31 LEU CB . 16411 1 353 . 1 1 31 31 LEU CD1 C 13 25.574 0.046 . 2 . . . . 31 LEU CD1 . 16411 1 354 . 1 1 31 31 LEU CD2 C 13 22.456 0.040 . 2 . . . . 31 LEU CD2 . 16411 1 355 . 1 1 31 31 LEU CG C 13 26.391 0.145 . 1 . . . . 31 LEU CG . 16411 1 356 . 1 1 31 31 LEU N N 15 116.392 0.033 . 1 . . . . 31 LEU N . 16411 1 357 . 1 1 32 32 GLN H H 1 8.127 0.009 . 1 . . . . 32 GLN H . 16411 1 358 . 1 1 32 32 GLN HA H 1 4.505 0.005 . 1 . . . . 32 GLN HA . 16411 1 359 . 1 1 32 32 GLN HB2 H 1 2.137 0.011 . 2 . . . . 32 GLN HB2 . 16411 1 360 . 1 1 32 32 GLN HB3 H 1 1.710 0.007 . 2 . . . . 32 GLN HB3 . 16411 1 361 . 1 1 32 32 GLN HE21 H 1 6.007 0.005 . 2 . . . . 32 GLN HE21 . 16411 1 362 . 1 1 32 32 GLN HE22 H 1 5.591 0.005 . 2 . . . . 32 GLN HE22 . 16411 1 363 . 1 1 32 32 GLN HG2 H 1 2.014 0.008 . 2 . . . . 32 GLN HG2 . 16411 1 364 . 1 1 32 32 GLN HG3 H 1 1.284 0.005 . 2 . . . . 32 GLN HG3 . 16411 1 365 . 1 1 32 32 GLN C C 13 177.220 0.000 . 1 . . . . 32 GLN C . 16411 1 366 . 1 1 32 32 GLN CA C 13 53.051 0.052 . 1 . . . . 32 GLN CA . 16411 1 367 . 1 1 32 32 GLN CB C 13 25.831 0.000 . 1 . . . . 32 GLN CB . 16411 1 368 . 1 1 32 32 GLN CG C 13 31.331 0.046 . 1 . . . . 32 GLN CG . 16411 1 369 . 1 1 32 32 GLN N N 15 118.024 0.090 . 1 . . . . 32 GLN N . 16411 1 370 . 1 1 32 32 GLN NE2 N 15 110.480 0.033 . 1 . . . . 32 GLN NE2 . 16411 1 371 . 1 1 33 33 TYR H H 1 6.939 0.009 . 1 . . . . 33 TYR H . 16411 1 372 . 1 1 33 33 TYR HA H 1 3.660 0.006 . 1 . . . . 33 TYR HA . 16411 1 373 . 1 1 33 33 TYR HB2 H 1 3.239 0.009 . 2 . . . . 33 TYR HB2 . 16411 1 374 . 1 1 33 33 TYR HB3 H 1 2.719 0.006 . 2 . . . . 33 TYR HB3 . 16411 1 375 . 1 1 33 33 TYR HD1 H 1 7.054 0.012 . 3 . . . . 33 TYR QD . 16411 1 376 . 1 1 33 33 TYR HD2 H 1 7.054 0.012 . 3 . . . . 33 TYR QD . 16411 1 377 . 1 1 33 33 TYR HE1 H 1 6.873 0.009 . 3 . . . . 33 TYR QE . 16411 1 378 . 1 1 33 33 TYR HE2 H 1 6.873 0.009 . 3 . . . . 33 TYR QE . 16411 1 379 . 1 1 33 33 TYR C C 13 176.279 0.000 . 1 . . . . 33 TYR C . 16411 1 380 . 1 1 33 33 TYR CA C 13 60.307 0.034 . 1 . . . . 33 TYR CA . 16411 1 381 . 1 1 33 33 TYR CB C 13 37.836 0.069 . 1 . . . . 33 TYR CB . 16411 1 382 . 1 1 33 33 TYR N N 15 116.188 0.057 . 1 . . . . 33 TYR N . 16411 1 383 . 1 1 34 34 ARG H H 1 7.843 0.005 . 1 . . . . 34 ARG H . 16411 1 384 . 1 1 34 34 ARG HA H 1 3.810 0.011 . 1 . . . . 34 ARG HA . 16411 1 385 . 1 1 34 34 ARG HB2 H 1 1.661 0.014 . 2 . . . . 34 ARG HB2 . 16411 1 386 . 1 1 34 34 ARG HB3 H 1 1.253 0.013 . 2 . . . . 34 ARG HB3 . 16411 1 387 . 1 1 34 34 ARG HD2 H 1 3.057 0.005 . 2 . . . . 34 ARG HD2 . 16411 1 388 . 1 1 34 34 ARG HD3 H 1 2.936 0.012 . 2 . . . . 34 ARG HD3 . 16411 1 389 . 1 1 34 34 ARG HG2 H 1 1.219 0.008 . 2 . . . . 34 ARG HG2 . 16411 1 390 . 1 1 34 34 ARG HG3 H 1 0.984 0.004 . 2 . . . . 34 ARG HG3 . 16411 1 391 . 1 1 34 34 ARG C C 13 176.646 0.000 . 1 . . . . 34 ARG C . 16411 1 392 . 1 1 34 34 ARG CA C 13 58.162 0.057 . 1 . . . . 34 ARG CA . 16411 1 393 . 1 1 34 34 ARG CB C 13 29.362 0.130 . 1 . . . . 34 ARG CB . 16411 1 394 . 1 1 34 34 ARG CD C 13 43.171 0.087 . 1 . . . . 34 ARG CD . 16411 1 395 . 1 1 34 34 ARG CG C 13 28.094 0.082 . 1 . . . . 34 ARG CG . 16411 1 396 . 1 1 34 34 ARG N N 15 122.026 0.023 . 1 . . . . 34 ARG N . 16411 1 397 . 1 1 35 35 ASP H H 1 7.840 0.005 . 1 . . . . 35 ASP H . 16411 1 398 . 1 1 35 35 ASP HA H 1 5.001 0.008 . 1 . . . . 35 ASP HA . 16411 1 399 . 1 1 35 35 ASP HB2 H 1 2.819 0.007 . 2 . . . . 35 ASP HB2 . 16411 1 400 . 1 1 35 35 ASP HB3 H 1 2.128 0.009 . 2 . . . . 35 ASP HB3 . 16411 1 401 . 1 1 35 35 ASP C C 13 175.311 0.000 . 1 . . . . 35 ASP C . 16411 1 402 . 1 1 35 35 ASP CA C 13 52.722 0.048 . 1 . . . . 35 ASP CA . 16411 1 403 . 1 1 35 35 ASP CB C 13 42.615 0.049 . 1 . . . . 35 ASP CB . 16411 1 404 . 1 1 35 35 ASP N N 15 117.702 0.043 . 1 . . . . 35 ASP N . 16411 1 405 . 1 1 36 36 ALA H H 1 7.173 0.015 . 1 . . . . 36 ALA H . 16411 1 406 . 1 1 36 36 ALA HA H 1 3.555 0.012 . 1 . . . . 36 ALA HA . 16411 1 407 . 1 1 36 36 ALA HB1 H 1 0.645 0.011 . . . . . . 36 ALA QB . 16411 1 408 . 1 1 36 36 ALA HB2 H 1 0.645 0.011 . . . . . . 36 ALA QB . 16411 1 409 . 1 1 36 36 ALA HB3 H 1 0.645 0.011 . . . . . . 36 ALA QB . 16411 1 410 . 1 1 36 36 ALA CA C 13 56.750 0.055 . 1 . . . . 36 ALA CA . 16411 1 411 . 1 1 36 36 ALA CB C 13 15.983 0.046 . 1 . . . . 36 ALA CB . 16411 1 412 . 1 1 36 36 ALA N N 15 121.856 0.049 . 1 . . . . 36 ALA N . 16411 1 413 . 1 1 37 37 PRO HA H 1 4.083 0.007 . 1 . . . . 37 PRO HA . 16411 1 414 . 1 1 37 37 PRO HB2 H 1 2.335 0.008 . 2 . . . . 37 PRO HB2 . 16411 1 415 . 1 1 37 37 PRO HB3 H 1 1.765 0.015 . 2 . . . . 37 PRO HB3 . 16411 1 416 . 1 1 37 37 PRO HD2 H 1 3.487 0.012 . 2 . . . . 37 PRO QD . 16411 1 417 . 1 1 37 37 PRO HD3 H 1 3.487 0.012 . 2 . . . . 37 PRO QD . 16411 1 418 . 1 1 37 37 PRO HG2 H 1 2.039 0.015 . 2 . . . . 37 PRO HG2 . 16411 1 419 . 1 1 37 37 PRO HG3 H 1 1.816 0.004 . 2 . . . . 37 PRO HG3 . 16411 1 420 . 1 1 37 37 PRO C C 13 179.159 0.000 . 1 . . . . 37 PRO C . 16411 1 421 . 1 1 37 37 PRO CA C 13 66.681 0.058 . 1 . . . . 37 PRO CA . 16411 1 422 . 1 1 37 37 PRO CB C 13 31.150 0.057 . 1 . . . . 37 PRO CB . 16411 1 423 . 1 1 37 37 PRO CD C 13 50.386 0.155 . 1 . . . . 37 PRO CD . 16411 1 424 . 1 1 37 37 PRO CG C 13 28.431 0.038 . 1 . . . . 37 PRO CG . 16411 1 425 . 1 1 38 38 LYS H H 1 7.148 0.008 . 1 . . . . 38 LYS H . 16411 1 426 . 1 1 38 38 LYS HA H 1 4.077 0.014 . 1 . . . . 38 LYS HA . 16411 1 427 . 1 1 38 38 LYS HB2 H 1 1.786 0.016 . 2 . . . . 38 LYS QB . 16411 1 428 . 1 1 38 38 LYS HB3 H 1 1.786 0.016 . 2 . . . . 38 LYS QB . 16411 1 429 . 1 1 38 38 LYS HD2 H 1 1.633 0.008 . 2 . . . . 38 LYS QD . 16411 1 430 . 1 1 38 38 LYS HD3 H 1 1.633 0.008 . 2 . . . . 38 LYS QD . 16411 1 431 . 1 1 38 38 LYS HE2 H 1 2.902 0.008 . 2 . . . . 38 LYS QE . 16411 1 432 . 1 1 38 38 LYS HE3 H 1 2.902 0.008 . 2 . . . . 38 LYS QE . 16411 1 433 . 1 1 38 38 LYS HG2 H 1 1.449 0.019 . 2 . . . . 38 LYS HG2 . 16411 1 434 . 1 1 38 38 LYS HG3 H 1 1.406 0.011 . 2 . . . . 38 LYS HG3 . 16411 1 435 . 1 1 38 38 LYS C C 13 178.926 0.000 . 1 . . . . 38 LYS C . 16411 1 436 . 1 1 38 38 LYS CA C 13 58.441 0.192 . 1 . . . . 38 LYS CA . 16411 1 437 . 1 1 38 38 LYS CB C 13 32.292 0.046 . 1 . . . . 38 LYS CB . 16411 1 438 . 1 1 38 38 LYS CD C 13 29.203 0.063 . 1 . . . . 38 LYS CD . 16411 1 439 . 1 1 38 38 LYS CE C 13 41.856 0.041 . 1 . . . . 38 LYS CE . 16411 1 440 . 1 1 38 38 LYS CG C 13 24.975 0.023 . 1 . . . . 38 LYS CG . 16411 1 441 . 1 1 38 38 LYS N N 15 118.102 0.042 . 1 . . . . 38 LYS N . 16411 1 442 . 1 1 39 39 VAL H H 1 7.859 0.009 . 1 . . . . 39 VAL H . 16411 1 443 . 1 1 39 39 VAL HA H 1 3.304 0.006 . 1 . . . . 39 VAL HA . 16411 1 444 . 1 1 39 39 VAL HB H 1 2.151 0.008 . 1 . . . . 39 VAL HB . 16411 1 445 . 1 1 39 39 VAL HG11 H 1 0.929 0.006 . . . . . . 39 VAL QG1 . 16411 1 446 . 1 1 39 39 VAL HG12 H 1 0.929 0.006 . . . . . . 39 VAL QG1 . 16411 1 447 . 1 1 39 39 VAL HG13 H 1 0.929 0.006 . . . . . . 39 VAL QG1 . 16411 1 448 . 1 1 39 39 VAL HG21 H 1 0.590 0.007 . . . . . . 39 VAL QG2 . 16411 1 449 . 1 1 39 39 VAL HG22 H 1 0.590 0.007 . . . . . . 39 VAL QG2 . 16411 1 450 . 1 1 39 39 VAL HG23 H 1 0.590 0.007 . . . . . . 39 VAL QG2 . 16411 1 451 . 1 1 39 39 VAL C C 13 177.502 0.000 . 1 . . . . 39 VAL C . 16411 1 452 . 1 1 39 39 VAL CA C 13 66.265 0.056 . 1 . . . . 39 VAL CA . 16411 1 453 . 1 1 39 39 VAL CB C 13 31.396 0.070 . 1 . . . . 39 VAL CB . 16411 1 454 . 1 1 39 39 VAL CG1 C 13 22.435 0.039 . 2 . . . . 39 VAL CG1 . 16411 1 455 . 1 1 39 39 VAL CG2 C 13 22.492 0.032 . 2 . . . . 39 VAL CG2 . 16411 1 456 . 1 1 39 39 VAL N N 15 119.410 0.035 . 1 . . . . 39 VAL N . 16411 1 457 . 1 1 40 40 ALA H H 1 7.996 0.006 . 1 . . . . 40 ALA H . 16411 1 458 . 1 1 40 40 ALA HA H 1 3.602 0.013 . 1 . . . . 40 ALA HA . 16411 1 459 . 1 1 40 40 ALA HB1 H 1 0.826 0.012 . . . . . . 40 ALA QB . 16411 1 460 . 1 1 40 40 ALA HB2 H 1 0.826 0.012 . . . . . . 40 ALA QB . 16411 1 461 . 1 1 40 40 ALA HB3 H 1 0.826 0.012 . . . . . . 40 ALA QB . 16411 1 462 . 1 1 40 40 ALA C C 13 179.244 0.000 . 1 . . . . 40 ALA C . 16411 1 463 . 1 1 40 40 ALA CA C 13 55.475 0.060 . 1 . . . . 40 ALA CA . 16411 1 464 . 1 1 40 40 ALA CB C 13 17.765 0.052 . 1 . . . . 40 ALA CB . 16411 1 465 . 1 1 40 40 ALA N N 15 120.256 0.025 . 1 . . . . 40 ALA N . 16411 1 466 . 1 1 41 41 GLU H H 1 7.916 0.014 . 1 . . . . 41 GLU H . 16411 1 467 . 1 1 41 41 GLU HA H 1 4.052 0.014 . 1 . . . . 41 GLU HA . 16411 1 468 . 1 1 41 41 GLU HB2 H 1 2.155 0.016 . 2 . . . . 41 GLU QB . 16411 1 469 . 1 1 41 41 GLU HB3 H 1 2.155 0.016 . 2 . . . . 41 GLU QB . 16411 1 470 . 1 1 41 41 GLU HG2 H 1 2.341 0.020 . 2 . . . . 41 GLU HG2 . 16411 1 471 . 1 1 41 41 GLU HG3 H 1 2.304 0.008 . 2 . . . . 41 GLU HG3 . 16411 1 472 . 1 1 41 41 GLU C C 13 179.501 0.000 . 1 . . . . 41 GLU C . 16411 1 473 . 1 1 41 41 GLU CA C 13 59.433 0.034 . 1 . . . . 41 GLU CA . 16411 1 474 . 1 1 41 41 GLU CB C 13 29.758 0.126 . 1 . . . . 41 GLU CB . 16411 1 475 . 1 1 41 41 GLU CG C 13 36.049 0.116 . 1 . . . . 41 GLU CG . 16411 1 476 . 1 1 41 41 GLU N N 15 118.139 0.028 . 1 . . . . 41 GLU N . 16411 1 477 . 1 1 42 42 MET H H 1 8.582 0.006 . 1 . . . . 42 MET H . 16411 1 478 . 1 1 42 42 MET HA H 1 4.259 0.009 . 1 . . . . 42 MET HA . 16411 1 479 . 1 1 42 42 MET HB2 H 1 2.057 0.011 . 2 . . . . 42 MET HB2 . 16411 1 480 . 1 1 42 42 MET HB3 H 1 1.866 0.011 . 2 . . . . 42 MET HB3 . 16411 1 481 . 1 1 42 42 MET HE1 H 1 2.092 0.008 . . . . . . 42 MET QE . 16411 1 482 . 1 1 42 42 MET HE2 H 1 2.092 0.008 . . . . . . 42 MET QE . 16411 1 483 . 1 1 42 42 MET HE3 H 1 2.092 0.008 . . . . . . 42 MET QE . 16411 1 484 . 1 1 42 42 MET HG2 H 1 2.832 0.011 . 2 . . . . 42 MET HG2 . 16411 1 485 . 1 1 42 42 MET HG3 H 1 2.633 0.007 . 2 . . . . 42 MET HG3 . 16411 1 486 . 1 1 42 42 MET C C 13 179.329 0.000 . 1 . . . . 42 MET C . 16411 1 487 . 1 1 42 42 MET CA C 13 59.092 0.080 . 1 . . . . 42 MET CA . 16411 1 488 . 1 1 42 42 MET CB C 13 32.407 0.157 . 1 . . . . 42 MET CB . 16411 1 489 . 1 1 42 42 MET CE C 13 17.679 0.068 . 1 . . . . 42 MET CE . 16411 1 490 . 1 1 42 42 MET CG C 13 33.236 0.064 . 1 . . . . 42 MET CG . 16411 1 491 . 1 1 42 42 MET N N 15 119.365 0.027 . 1 . . . . 42 MET N . 16411 1 492 . 1 1 43 43 TRP H H 1 9.057 0.004 . 1 . . . . 43 TRP H . 16411 1 493 . 1 1 43 43 TRP HA H 1 4.232 0.008 . 1 . . . . 43 TRP HA . 16411 1 494 . 1 1 43 43 TRP HB2 H 1 3.554 0.010 . 2 . . . . 43 TRP HB2 . 16411 1 495 . 1 1 43 43 TRP HB3 H 1 4.011 0.015 . 2 . . . . 43 TRP HB3 . 16411 1 496 . 1 1 43 43 TRP HD1 H 1 7.124 0.011 . 1 . . . . 43 TRP HD1 . 16411 1 497 . 1 1 43 43 TRP HE1 H 1 9.820 0.004 . 1 . . . . 43 TRP HE1 . 16411 1 498 . 1 1 43 43 TRP HE3 H 1 7.873 0.005 . 1 . . . . 43 TRP HE3 . 16411 1 499 . 1 1 43 43 TRP HH2 H 1 6.948 0.008 . 1 . . . . 43 TRP HH2 . 16411 1 500 . 1 1 43 43 TRP HZ2 H 1 7.248 0.010 . 1 . . . . 43 TRP HZ2 . 16411 1 501 . 1 1 43 43 TRP HZ3 H 1 7.011 0.008 . 1 . . . . 43 TRP HZ3 . 16411 1 502 . 1 1 43 43 TRP C C 13 176.080 0.000 . 1 . . . . 43 TRP C . 16411 1 503 . 1 1 43 43 TRP CA C 13 62.985 0.051 . 1 . . . . 43 TRP CA . 16411 1 504 . 1 1 43 43 TRP CB C 13 28.895 0.062 . 1 . . . . 43 TRP CB . 16411 1 505 . 1 1 43 43 TRP N N 15 122.792 0.027 . 1 . . . . 43 TRP N . 16411 1 506 . 1 1 43 43 TRP NE1 N 15 129.818 0.028 . 1 . . . . 43 TRP NE1 . 16411 1 507 . 1 1 44 44 LYS H H 1 8.745 0.005 . 1 . . . . 44 LYS H . 16411 1 508 . 1 1 44 44 LYS HA H 1 3.480 0.007 . 1 . . . . 44 LYS HA . 16411 1 509 . 1 1 44 44 LYS HB2 H 1 2.253 0.007 . 2 . . . . 44 LYS HB2 . 16411 1 510 . 1 1 44 44 LYS HB3 H 1 1.841 0.013 . 2 . . . . 44 LYS HB3 . 16411 1 511 . 1 1 44 44 LYS HD2 H 1 1.695 0.012 . 2 . . . . 44 LYS HD2 . 16411 1 512 . 1 1 44 44 LYS HD3 H 1 1.668 0.009 . 2 . . . . 44 LYS HD3 . 16411 1 513 . 1 1 44 44 LYS HE2 H 1 2.901 0.003 . 2 . . . . 44 LYS HE2 . 16411 1 514 . 1 1 44 44 LYS HE3 H 1 2.803 0.006 . 2 . . . . 44 LYS HE3 . 16411 1 515 . 1 1 44 44 LYS HG2 H 1 1.279 0.005 . 2 . . . . 44 LYS HG2 . 16411 1 516 . 1 1 44 44 LYS HG3 H 1 1.178 0.010 . 2 . . . . 44 LYS HG3 . 16411 1 517 . 1 1 44 44 LYS C C 13 176.255 0.000 . 1 . . . . 44 LYS C . 16411 1 518 . 1 1 44 44 LYS CA C 13 59.906 0.044 . 1 . . . . 44 LYS CA . 16411 1 519 . 1 1 44 44 LYS CB C 13 31.651 0.170 . 1 . . . . 44 LYS CB . 16411 1 520 . 1 1 44 44 LYS CD C 13 29.819 0.069 . 1 . . . . 44 LYS CD . 16411 1 521 . 1 1 44 44 LYS CE C 13 41.956 0.007 . 1 . . . . 44 LYS CE . 16411 1 522 . 1 1 44 44 LYS CG C 13 24.662 0.103 . 1 . . . . 44 LYS CG . 16411 1 523 . 1 1 44 44 LYS N N 15 119.720 0.034 . 1 . . . . 44 LYS N . 16411 1 524 . 1 1 45 45 GLU H H 1 8.038 0.006 . 1 . . . . 45 GLU H . 16411 1 525 . 1 1 45 45 GLU HA H 1 3.776 0.005 . 1 . . . . 45 GLU HA . 16411 1 526 . 1 1 45 45 GLU HB2 H 1 2.191 0.014 . 2 . . . . 45 GLU HB2 . 16411 1 527 . 1 1 45 45 GLU HB3 H 1 2.090 0.012 . 2 . . . . 45 GLU HB3 . 16411 1 528 . 1 1 45 45 GLU HG2 H 1 2.487 0.005 . 2 . . . . 45 GLU HG2 . 16411 1 529 . 1 1 45 45 GLU HG3 H 1 2.235 0.007 . 2 . . . . 45 GLU HG3 . 16411 1 530 . 1 1 45 45 GLU C C 13 178.815 0.000 . 1 . . . . 45 GLU C . 16411 1 531 . 1 1 45 45 GLU CA C 13 59.606 0.072 . 1 . . . . 45 GLU CA . 16411 1 532 . 1 1 45 45 GLU CB C 13 29.233 0.156 . 1 . . . . 45 GLU CB . 16411 1 533 . 1 1 45 45 GLU CG C 13 36.333 0.123 . 1 . . . . 45 GLU CG . 16411 1 534 . 1 1 45 45 GLU N N 15 116.482 0.047 . 1 . . . . 45 GLU N . 16411 1 535 . 1 1 46 46 TYR H H 1 7.901 0.009 . 1 . . . . 46 TYR H . 16411 1 536 . 1 1 46 46 TYR HA H 1 3.762 0.005 . 1 . . . . 46 TYR HA . 16411 1 537 . 1 1 46 46 TYR HB2 H 1 3.051 0.015 . 2 . . . . 46 TYR HB2 . 16411 1 538 . 1 1 46 46 TYR HB3 H 1 3.015 0.013 . 2 . . . . 46 TYR HB3 . 16411 1 539 . 1 1 46 46 TYR HD1 H 1 6.756 0.009 . 3 . . . . 46 TYR QD . 16411 1 540 . 1 1 46 46 TYR HD2 H 1 6.756 0.009 . 3 . . . . 46 TYR QD . 16411 1 541 . 1 1 46 46 TYR HE1 H 1 6.528 0.006 . 3 . . . . 46 TYR QE . 16411 1 542 . 1 1 46 46 TYR HE2 H 1 6.528 0.006 . 3 . . . . 46 TYR QE . 16411 1 543 . 1 1 46 46 TYR C C 13 176.153 0.000 . 1 . . . . 46 TYR C . 16411 1 544 . 1 1 46 46 TYR CA C 13 62.151 0.041 . 1 . . . . 46 TYR CA . 16411 1 545 . 1 1 46 46 TYR CB C 13 39.335 0.028 . 1 . . . . 46 TYR CB . 16411 1 546 . 1 1 46 46 TYR N N 15 119.503 0.022 . 1 . . . . 46 TYR N . 16411 1 547 . 1 1 47 47 MET H H 1 8.003 0.004 . 1 . . . . 47 MET H . 16411 1 548 . 1 1 47 47 MET HA H 1 3.861 0.009 . 1 . . . . 47 MET HA . 16411 1 549 . 1 1 47 47 MET HB2 H 1 1.522 0.011 . 2 . . . . 47 MET HB2 . 16411 1 550 . 1 1 47 47 MET HB3 H 1 1.286 0.008 . 2 . . . . 47 MET HB3 . 16411 1 551 . 1 1 47 47 MET HE1 H 1 1.977 0.008 . . . . . . 47 MET QE . 16411 1 552 . 1 1 47 47 MET HE2 H 1 1.977 0.008 . . . . . . 47 MET QE . 16411 1 553 . 1 1 47 47 MET HE3 H 1 1.977 0.008 . . . . . . 47 MET QE . 16411 1 554 . 1 1 47 47 MET HG2 H 1 0.438 0.017 . 2 . . . . 47 MET HG2 . 16411 1 555 . 1 1 47 47 MET HG3 H 1 1.935 0.016 . 2 . . . . 47 MET HG3 . 16411 1 556 . 1 1 47 47 MET C C 13 177.531 0.000 . 1 . . . . 47 MET C . 16411 1 557 . 1 1 47 47 MET CA C 13 55.053 0.052 . 1 . . . . 47 MET CA . 16411 1 558 . 1 1 47 47 MET CB C 13 31.460 0.093 . 1 . . . . 47 MET CB . 16411 1 559 . 1 1 47 47 MET CE C 13 17.319 0.077 . 1 . . . . 47 MET CE . 16411 1 560 . 1 1 47 47 MET CG C 13 31.222 0.034 . 1 . . . . 47 MET CG . 16411 1 561 . 1 1 47 47 MET N N 15 112.622 0.025 . 1 . . . . 47 MET N . 16411 1 562 . 1 1 48 48 LEU H H 1 7.438 0.010 . 1 . . . . 48 LEU H . 16411 1 563 . 1 1 48 48 LEU HA H 1 4.252 0.007 . 1 . . . . 48 LEU HA . 16411 1 564 . 1 1 48 48 LEU HB2 H 1 1.657 0.012 . 2 . . . . 48 LEU HB2 . 16411 1 565 . 1 1 48 48 LEU HB3 H 1 1.556 0.013 . 2 . . . . 48 LEU HB3 . 16411 1 566 . 1 1 48 48 LEU HD11 H 1 0.710 0.008 . . . . . . 48 LEU QD1 . 16411 1 567 . 1 1 48 48 LEU HD12 H 1 0.710 0.008 . . . . . . 48 LEU QD1 . 16411 1 568 . 1 1 48 48 LEU HD13 H 1 0.710 0.008 . . . . . . 48 LEU QD1 . 16411 1 569 . 1 1 48 48 LEU HD21 H 1 0.688 0.011 . . . . . . 48 LEU QD2 . 16411 1 570 . 1 1 48 48 LEU HD22 H 1 0.688 0.011 . . . . . . 48 LEU QD2 . 16411 1 571 . 1 1 48 48 LEU HD23 H 1 0.688 0.011 . . . . . . 48 LEU QD2 . 16411 1 572 . 1 1 48 48 LEU HG H 1 1.830 0.006 . 1 . . . . 48 LEU HG . 16411 1 573 . 1 1 48 48 LEU C C 13 177.810 0.000 . 1 . . . . 48 LEU C . 16411 1 574 . 1 1 48 48 LEU CA C 13 53.678 0.029 . 1 . . . . 48 LEU CA . 16411 1 575 . 1 1 48 48 LEU CB C 13 41.115 0.061 . 1 . . . . 48 LEU CB . 16411 1 576 . 1 1 48 48 LEU CD1 C 13 25.909 0.049 . 2 . . . . 48 LEU CD1 . 16411 1 577 . 1 1 48 48 LEU CD2 C 13 23.278 0.166 . 2 . . . . 48 LEU CD2 . 16411 1 578 . 1 1 48 48 LEU CG C 13 26.192 0.097 . 1 . . . . 48 LEU CG . 16411 1 579 . 1 1 48 48 LEU N N 15 114.659 0.022 . 1 . . . . 48 LEU N . 16411 1 580 . 1 1 49 49 ARG H H 1 7.382 0.005 . 1 . . . . 49 ARG H . 16411 1 581 . 1 1 49 49 ARG HA H 1 4.369 0.007 . 1 . . . . 49 ARG HA . 16411 1 582 . 1 1 49 49 ARG HB2 H 1 1.980 0.011 . 2 . . . . 49 ARG HB2 . 16411 1 583 . 1 1 49 49 ARG HB3 H 1 1.703 0.011 . 2 . . . . 49 ARG HB3 . 16411 1 584 . 1 1 49 49 ARG HD2 H 1 3.058 0.005 . 2 . . . . 49 ARG HD2 . 16411 1 585 . 1 1 49 49 ARG HD3 H 1 2.942 0.007 . 2 . . . . 49 ARG HD3 . 16411 1 586 . 1 1 49 49 ARG HG2 H 1 2.100 0.006 . 2 . . . . 49 ARG HG2 . 16411 1 587 . 1 1 49 49 ARG HG3 H 1 1.616 0.009 . 2 . . . . 49 ARG HG3 . 16411 1 588 . 1 1 49 49 ARG CA C 13 55.512 0.060 . 1 . . . . 49 ARG CA . 16411 1 589 . 1 1 49 49 ARG CB C 13 30.639 0.055 . 1 . . . . 49 ARG CB . 16411 1 590 . 1 1 49 49 ARG CD C 13 43.852 0.098 . 1 . . . . 49 ARG CD . 16411 1 591 . 1 1 49 49 ARG CG C 13 27.243 0.114 . 1 . . . . 49 ARG CG . 16411 1 592 . 1 1 49 49 ARG N N 15 125.264 0.049 . 1 . . . . 49 ARG N . 16411 1 593 . 1 1 50 50 PRO HA H 1 4.497 0.009 . 1 . . . . 50 PRO HA . 16411 1 594 . 1 1 50 50 PRO HB2 H 1 2.312 0.008 . 2 . . . . 50 PRO HB2 . 16411 1 595 . 1 1 50 50 PRO HB3 H 1 1.962 0.017 . 2 . . . . 50 PRO HB3 . 16411 1 596 . 1 1 50 50 PRO HD2 H 1 4.111 0.010 . 2 . . . . 50 PRO HD2 . 16411 1 597 . 1 1 50 50 PRO HD3 H 1 3.861 0.008 . 2 . . . . 50 PRO HD3 . 16411 1 598 . 1 1 50 50 PRO HG2 H 1 2.044 0.018 . 2 . . . . 50 PRO HG2 . 16411 1 599 . 1 1 50 50 PRO HG3 H 1 2.007 0.006 . 2 . . . . 50 PRO HG3 . 16411 1 600 . 1 1 50 50 PRO C C 13 177.166 0.000 . 1 . . . . 50 PRO C . 16411 1 601 . 1 1 50 50 PRO CA C 13 64.212 0.054 . 1 . . . . 50 PRO CA . 16411 1 602 . 1 1 50 50 PRO CB C 13 31.824 0.036 . 1 . . . . 50 PRO CB . 16411 1 603 . 1 1 50 50 PRO CD C 13 51.291 0.081 . 1 . . . . 50 PRO CD . 16411 1 604 . 1 1 50 50 PRO CG C 13 27.489 0.080 . 1 . . . . 50 PRO CG . 16411 1 605 . 1 1 51 51 SER H H 1 7.188 0.003 . 1 . . . . 51 SER H . 16411 1 606 . 1 1 51 51 SER HA H 1 4.254 0.005 . 1 . . . . 51 SER HA . 16411 1 607 . 1 1 51 51 SER HB2 H 1 4.083 0.007 . 2 . . . . 51 SER HB2 . 16411 1 608 . 1 1 51 51 SER HB3 H 1 3.754 0.004 . 2 . . . . 51 SER HB3 . 16411 1 609 . 1 1 51 51 SER C C 13 174.142 0.000 . 1 . . . . 51 SER C . 16411 1 610 . 1 1 51 51 SER CA C 13 57.871 0.033 . 1 . . . . 51 SER CA . 16411 1 611 . 1 1 51 51 SER CB C 13 62.864 0.035 . 1 . . . . 51 SER CB . 16411 1 612 . 1 1 51 51 SER N N 15 107.706 0.023 . 1 . . . . 51 SER N . 16411 1 613 . 1 1 52 52 VAL H H 1 6.912 0.004 . 1 . . . . 52 VAL H . 16411 1 614 . 1 1 52 52 VAL HA H 1 3.919 0.007 . 1 . . . . 52 VAL HA . 16411 1 615 . 1 1 52 52 VAL HB H 1 1.653 0.007 . 1 . . . . 52 VAL HB . 16411 1 616 . 1 1 52 52 VAL HG11 H 1 0.658 0.009 . . . . . . 52 VAL QG1 . 16411 1 617 . 1 1 52 52 VAL HG12 H 1 0.658 0.009 . . . . . . 52 VAL QG1 . 16411 1 618 . 1 1 52 52 VAL HG13 H 1 0.658 0.009 . . . . . . 52 VAL QG1 . 16411 1 619 . 1 1 52 52 VAL HG21 H 1 0.442 0.011 . . . . . . 52 VAL QG2 . 16411 1 620 . 1 1 52 52 VAL HG22 H 1 0.442 0.011 . . . . . . 52 VAL QG2 . 16411 1 621 . 1 1 52 52 VAL HG23 H 1 0.442 0.011 . . . . . . 52 VAL QG2 . 16411 1 622 . 1 1 52 52 VAL C C 13 175.243 0.000 . 1 . . . . 52 VAL C . 16411 1 623 . 1 1 52 52 VAL CA C 13 62.223 0.026 . 1 . . . . 52 VAL CA . 16411 1 624 . 1 1 52 52 VAL CB C 13 31.820 0.036 . 1 . . . . 52 VAL CB . 16411 1 625 . 1 1 52 52 VAL CG1 C 13 21.443 0.096 . 2 . . . . 52 VAL CG1 . 16411 1 626 . 1 1 52 52 VAL CG2 C 13 21.995 0.080 . 2 . . . . 52 VAL CG2 . 16411 1 627 . 1 1 52 52 VAL N N 15 125.507 0.048 . 1 . . . . 52 VAL N . 16411 1 628 . 1 1 53 53 ASN H H 1 8.418 0.009 . 1 . . . . 53 ASN H . 16411 1 629 . 1 1 53 53 ASN HA H 1 4.622 0.005 . 1 . . . . 53 ASN HA . 16411 1 630 . 1 1 53 53 ASN HB2 H 1 3.284 0.009 . 2 . . . . 53 ASN HB2 . 16411 1 631 . 1 1 53 53 ASN HB3 H 1 2.852 0.008 . 2 . . . . 53 ASN HB3 . 16411 1 632 . 1 1 53 53 ASN HD21 H 1 7.697 0.003 . 2 . . . . 53 ASN HD21 . 16411 1 633 . 1 1 53 53 ASN HD22 H 1 6.975 0.006 . 2 . . . . 53 ASN HD22 . 16411 1 634 . 1 1 53 53 ASN C C 13 175.891 0.000 . 1 . . . . 53 ASN C . 16411 1 635 . 1 1 53 53 ASN CA C 13 53.279 0.041 . 1 . . . . 53 ASN CA . 16411 1 636 . 1 1 53 53 ASN CB C 13 39.098 0.143 . 1 . . . . 53 ASN CB . 16411 1 637 . 1 1 53 53 ASN N N 15 125.469 0.031 . 1 . . . . 53 ASN N . 16411 1 638 . 1 1 53 53 ASN ND2 N 15 112.883 0.043 . 1 . . . . 53 ASN ND2 . 16411 1 639 . 1 1 54 54 THR H H 1 8.415 0.003 . 1 . . . . 54 THR H . 16411 1 640 . 1 1 54 54 THR HA H 1 3.814 0.011 . 1 . . . . 54 THR HA . 16411 1 641 . 1 1 54 54 THR HB H 1 4.004 0.012 . 1 . . . . 54 THR HB . 16411 1 642 . 1 1 54 54 THR HG21 H 1 1.404 0.009 . . . . . . 54 THR QG2 . 16411 1 643 . 1 1 54 54 THR HG22 H 1 1.404 0.009 . . . . . . 54 THR QG2 . 16411 1 644 . 1 1 54 54 THR HG23 H 1 1.404 0.009 . . . . . . 54 THR QG2 . 16411 1 645 . 1 1 54 54 THR C C 13 176.190 0.000 . 1 . . . . 54 THR C . 16411 1 646 . 1 1 54 54 THR CA C 13 66.463 0.070 . 1 . . . . 54 THR CA . 16411 1 647 . 1 1 54 54 THR CB C 13 68.742 0.117 . 1 . . . . 54 THR CB . 16411 1 648 . 1 1 54 54 THR CG2 C 13 23.526 0.036 . 1 . . . . 54 THR CG2 . 16411 1 649 . 1 1 54 54 THR N N 15 112.458 0.046 . 1 . . . . 54 THR N . 16411 1 650 . 1 1 55 55 ARG H H 1 8.069 0.010 . 1 . . . . 55 ARG H . 16411 1 651 . 1 1 55 55 ARG HA H 1 3.845 0.006 . 1 . . . . 55 ARG HA . 16411 1 652 . 1 1 55 55 ARG HB2 H 1 1.882 0.013 . 2 . . . . 55 ARG QB . 16411 1 653 . 1 1 55 55 ARG HB3 H 1 1.882 0.013 . 2 . . . . 55 ARG QB . 16411 1 654 . 1 1 55 55 ARG HD2 H 1 3.209 0.008 . 2 . . . . 55 ARG QD . 16411 1 655 . 1 1 55 55 ARG HD3 H 1 3.209 0.008 . 2 . . . . 55 ARG QD . 16411 1 656 . 1 1 55 55 ARG HG2 H 1 1.681 0.010 . 2 . . . . 55 ARG HG2 . 16411 1 657 . 1 1 55 55 ARG HG3 H 1 1.543 0.008 . 2 . . . . 55 ARG HG3 . 16411 1 658 . 1 1 55 55 ARG C C 13 178.760 0.000 . 1 . . . . 55 ARG C . 16411 1 659 . 1 1 55 55 ARG CA C 13 59.499 0.059 . 1 . . . . 55 ARG CA . 16411 1 660 . 1 1 55 55 ARG CB C 13 29.173 0.063 . 1 . . . . 55 ARG CB . 16411 1 661 . 1 1 55 55 ARG CD C 13 43.088 0.090 . 1 . . . . 55 ARG CD . 16411 1 662 . 1 1 55 55 ARG CG C 13 27.923 0.098 . 1 . . . . 55 ARG CG . 16411 1 663 . 1 1 55 55 ARG N N 15 121.304 0.034 . 1 . . . . 55 ARG N . 16411 1 664 . 1 1 56 56 ARG H H 1 7.983 0.008 . 1 . . . . 56 ARG H . 16411 1 665 . 1 1 56 56 ARG HA H 1 4.023 0.017 . 1 . . . . 56 ARG HA . 16411 1 666 . 1 1 56 56 ARG HB2 H 1 2.099 0.016 . 2 . . . . 56 ARG HB2 . 16411 1 667 . 1 1 56 56 ARG HB3 H 1 2.035 0.009 . 2 . . . . 56 ARG HB3 . 16411 1 668 . 1 1 56 56 ARG HD2 H 1 3.373 0.007 . 2 . . . . 56 ARG QD . 16411 1 669 . 1 1 56 56 ARG HD3 H 1 3.373 0.007 . 2 . . . . 56 ARG QD . 16411 1 670 . 1 1 56 56 ARG HG2 H 1 1.973 0.009 . 2 . . . . 56 ARG HG2 . 16411 1 671 . 1 1 56 56 ARG HG3 H 1 1.665 0.012 . 2 . . . . 56 ARG HG3 . 16411 1 672 . 1 1 56 56 ARG C C 13 180.126 0.000 . 1 . . . . 56 ARG C . 16411 1 673 . 1 1 56 56 ARG CA C 13 59.368 0.055 . 1 . . . . 56 ARG CA . 16411 1 674 . 1 1 56 56 ARG CB C 13 29.201 0.004 . 1 . . . . 56 ARG CB . 16411 1 675 . 1 1 56 56 ARG CD C 13 43.300 0.061 . 1 . . . . 56 ARG CD . 16411 1 676 . 1 1 56 56 ARG CG C 13 27.953 0.189 . 1 . . . . 56 ARG CG . 16411 1 677 . 1 1 56 56 ARG N N 15 118.741 0.037 . 1 . . . . 56 ARG N . 16411 1 678 . 1 1 57 57 LYS H H 1 8.049 0.008 . 1 . . . . 57 LYS H . 16411 1 679 . 1 1 57 57 LYS HA H 1 4.236 0.012 . 1 . . . . 57 LYS HA . 16411 1 680 . 1 1 57 57 LYS HB2 H 1 2.174 0.008 . 2 . . . . 57 LYS HB2 . 16411 1 681 . 1 1 57 57 LYS HB3 H 1 1.685 0.011 . 2 . . . . 57 LYS HB3 . 16411 1 682 . 1 1 57 57 LYS HD2 H 1 1.476 0.009 . 2 . . . . 57 LYS QD . 16411 1 683 . 1 1 57 57 LYS HD3 H 1 1.476 0.009 . 2 . . . . 57 LYS QD . 16411 1 684 . 1 1 57 57 LYS HE2 H 1 3.052 0.008 . 2 . . . . 57 LYS HE2 . 16411 1 685 . 1 1 57 57 LYS HE3 H 1 2.681 0.004 . 2 . . . . 57 LYS HE3 . 16411 1 686 . 1 1 57 57 LYS HG2 H 1 1.625 0.012 . 2 . . . . 57 LYS HG2 . 16411 1 687 . 1 1 57 57 LYS HG3 H 1 1.224 0.005 . 2 . . . . 57 LYS HG3 . 16411 1 688 . 1 1 57 57 LYS C C 13 178.857 0.000 . 1 . . . . 57 LYS C . 16411 1 689 . 1 1 57 57 LYS CA C 13 60.167 0.093 . 1 . . . . 57 LYS CA . 16411 1 690 . 1 1 57 57 LYS CB C 13 33.176 0.075 . 1 . . . . 57 LYS CB . 16411 1 691 . 1 1 57 57 LYS CD C 13 29.732 0.054 . 1 . . . . 57 LYS CD . 16411 1 692 . 1 1 57 57 LYS CE C 13 43.035 0.138 . 1 . . . . 57 LYS CE . 16411 1 693 . 1 1 57 57 LYS CG C 13 27.770 0.105 . 1 . . . . 57 LYS CG . 16411 1 694 . 1 1 57 57 LYS N N 15 120.036 0.036 . 1 . . . . 57 LYS N . 16411 1 695 . 1 1 58 58 LEU H H 1 8.268 0.007 . 1 . . . . 58 LEU H . 16411 1 696 . 1 1 58 58 LEU HA H 1 3.956 0.012 . 1 . . . . 58 LEU HA . 16411 1 697 . 1 1 58 58 LEU HB2 H 1 1.959 0.008 . 2 . . . . 58 LEU HB2 . 16411 1 698 . 1 1 58 58 LEU HB3 H 1 1.253 0.007 . 2 . . . . 58 LEU HB3 . 16411 1 699 . 1 1 58 58 LEU HD11 H 1 0.819 0.005 . . . . . . 58 LEU QD1 . 16411 1 700 . 1 1 58 58 LEU HD12 H 1 0.819 0.005 . . . . . . 58 LEU QD1 . 16411 1 701 . 1 1 58 58 LEU HD13 H 1 0.819 0.005 . . . . . . 58 LEU QD1 . 16411 1 702 . 1 1 58 58 LEU HD21 H 1 0.672 0.006 . . . . . . 58 LEU QD2 . 16411 1 703 . 1 1 58 58 LEU HD22 H 1 0.672 0.006 . . . . . . 58 LEU QD2 . 16411 1 704 . 1 1 58 58 LEU HD23 H 1 0.672 0.006 . . . . . . 58 LEU QD2 . 16411 1 705 . 1 1 58 58 LEU HG H 1 0.999 0.007 . 1 . . . . 58 LEU HG . 16411 1 706 . 1 1 58 58 LEU C C 13 178.188 0.000 . 1 . . . . 58 LEU C . 16411 1 707 . 1 1 58 58 LEU CA C 13 58.357 0.099 . 1 . . . . 58 LEU CA . 16411 1 708 . 1 1 58 58 LEU CB C 13 40.864 0.054 . 1 . . . . 58 LEU CB . 16411 1 709 . 1 1 58 58 LEU CD1 C 13 25.740 0.089 . 2 . . . . 58 LEU CD1 . 16411 1 710 . 1 1 58 58 LEU CD2 C 13 23.876 0.014 . 2 . . . . 58 LEU CD2 . 16411 1 711 . 1 1 58 58 LEU CG C 13 26.463 0.000 . 1 . . . . 58 LEU CG . 16411 1 712 . 1 1 58 58 LEU N N 15 121.494 0.029 . 1 . . . . 58 LEU N . 16411 1 713 . 1 1 59 59 LEU H H 1 7.701 0.005 . 1 . . . . 59 LEU H . 16411 1 714 . 1 1 59 59 LEU HA H 1 3.996 0.008 . 1 . . . . 59 LEU HA . 16411 1 715 . 1 1 59 59 LEU HB2 H 1 2.050 0.007 . 2 . . . . 59 LEU HB2 . 16411 1 716 . 1 1 59 59 LEU HB3 H 1 1.391 0.005 . 2 . . . . 59 LEU HB3 . 16411 1 717 . 1 1 59 59 LEU HD11 H 1 0.799 0.008 . . . . . . 59 LEU QD1 . 16411 1 718 . 1 1 59 59 LEU HD12 H 1 0.799 0.008 . . . . . . 59 LEU QD1 . 16411 1 719 . 1 1 59 59 LEU HD13 H 1 0.799 0.008 . . . . . . 59 LEU QD1 . 16411 1 720 . 1 1 59 59 LEU HD21 H 1 0.745 0.008 . . . . . . 59 LEU QD2 . 16411 1 721 . 1 1 59 59 LEU HD22 H 1 0.745 0.008 . . . . . . 59 LEU QD2 . 16411 1 722 . 1 1 59 59 LEU HD23 H 1 0.745 0.008 . . . . . . 59 LEU QD2 . 16411 1 723 . 1 1 59 59 LEU HG H 1 1.895 0.013 . 1 . . . . 59 LEU HG . 16411 1 724 . 1 1 59 59 LEU C C 13 179.488 0.000 . 1 . . . . 59 LEU C . 16411 1 725 . 1 1 59 59 LEU CA C 13 58.216 0.028 . 1 . . . . 59 LEU CA . 16411 1 726 . 1 1 59 59 LEU CB C 13 40.317 0.043 . 1 . . . . 59 LEU CB . 16411 1 727 . 1 1 59 59 LEU CD1 C 13 22.418 0.055 . 2 . . . . 59 LEU CD1 . 16411 1 728 . 1 1 59 59 LEU CD2 C 13 25.367 0.122 . 2 . . . . 59 LEU CD2 . 16411 1 729 . 1 1 59 59 LEU CG C 13 26.743 0.027 . 1 . . . . 59 LEU CG . 16411 1 730 . 1 1 59 59 LEU N N 15 117.058 0.024 . 1 . . . . 59 LEU N . 16411 1 731 . 1 1 60 60 GLY H H 1 8.475 0.003 . 1 . . . . 60 GLY H . 16411 1 732 . 1 1 60 60 GLY HA2 H 1 4.308 0.009 . 2 . . . . 60 GLY HA2 . 16411 1 733 . 1 1 60 60 GLY HA3 H 1 3.803 0.010 . 2 . . . . 60 GLY HA3 . 16411 1 734 . 1 1 60 60 GLY C C 13 178.275 0.000 . 1 . . . . 60 GLY C . 16411 1 735 . 1 1 60 60 GLY CA C 13 47.482 0.049 . 1 . . . . 60 GLY CA . 16411 1 736 . 1 1 60 60 GLY N N 15 106.974 0.020 . 1 . . . . 60 GLY N . 16411 1 737 . 1 1 61 61 LEU H H 1 8.612 0.009 . 1 . . . . 61 LEU H . 16411 1 738 . 1 1 61 61 LEU HA H 1 4.652 0.008 . 1 . . . . 61 LEU HA . 16411 1 739 . 1 1 61 61 LEU HB2 H 1 2.677 0.011 . 2 . . . . 61 LEU HB2 . 16411 1 740 . 1 1 61 61 LEU HB3 H 1 1.593 0.013 . 2 . . . . 61 LEU HB3 . 16411 1 741 . 1 1 61 61 LEU HD11 H 1 1.119 0.011 . . . . . . 61 LEU QD1 . 16411 1 742 . 1 1 61 61 LEU HD12 H 1 1.119 0.011 . . . . . . 61 LEU QD1 . 16411 1 743 . 1 1 61 61 LEU HD13 H 1 1.119 0.011 . . . . . . 61 LEU QD1 . 16411 1 744 . 1 1 61 61 LEU HD21 H 1 1.065 0.012 . . . . . . 61 LEU QD2 . 16411 1 745 . 1 1 61 61 LEU HD22 H 1 1.065 0.012 . . . . . . 61 LEU QD2 . 16411 1 746 . 1 1 61 61 LEU HD23 H 1 1.065 0.012 . . . . . . 61 LEU QD2 . 16411 1 747 . 1 1 61 61 LEU HG H 1 1.796 0.007 . 1 . . . . 61 LEU HG . 16411 1 748 . 1 1 61 61 LEU C C 13 177.987 0.000 . 1 . . . . 61 LEU C . 16411 1 749 . 1 1 61 61 LEU CA C 13 58.468 0.075 . 1 . . . . 61 LEU CA . 16411 1 750 . 1 1 61 61 LEU CB C 13 41.320 0.048 . 1 . . . . 61 LEU CB . 16411 1 751 . 1 1 61 61 LEU CD1 C 13 24.093 0.030 . 2 . . . . 61 LEU CD1 . 16411 1 752 . 1 1 61 61 LEU CD2 C 13 26.124 0.052 . 2 . . . . 61 LEU CD2 . 16411 1 753 . 1 1 61 61 LEU CG C 13 27.363 0.053 . 1 . . . . 61 LEU CG . 16411 1 754 . 1 1 61 61 LEU N N 15 127.245 0.024 . 1 . . . . 61 LEU N . 16411 1 755 . 1 1 62 62 TYR H H 1 8.709 0.007 . 1 . . . . 62 TYR H . 16411 1 756 . 1 1 62 62 TYR HA H 1 4.633 0.007 . 1 . . . . 62 TYR HA . 16411 1 757 . 1 1 62 62 TYR HB2 H 1 3.480 0.003 . 2 . . . . 62 TYR HB2 . 16411 1 758 . 1 1 62 62 TYR HB3 H 1 3.269 0.006 . 2 . . . . 62 TYR HB3 . 16411 1 759 . 1 1 62 62 TYR HD1 H 1 6.958 0.009 . 3 . . . . 62 TYR QD . 16411 1 760 . 1 1 62 62 TYR HD2 H 1 6.958 0.009 . 3 . . . . 62 TYR QD . 16411 1 761 . 1 1 62 62 TYR HE1 H 1 6.766 0.007 . 3 . . . . 62 TYR QE . 16411 1 762 . 1 1 62 62 TYR HE2 H 1 6.766 0.007 . 3 . . . . 62 TYR QE . 16411 1 763 . 1 1 62 62 TYR C C 13 180.145 0.000 . 1 . . . . 62 TYR C . 16411 1 764 . 1 1 62 62 TYR CA C 13 58.117 0.042 . 1 . . . . 62 TYR CA . 16411 1 765 . 1 1 62 62 TYR CB C 13 35.986 0.040 . 1 . . . . 62 TYR CB . 16411 1 766 . 1 1 62 62 TYR N N 15 120.554 0.043 . 1 . . . . 62 TYR N . 16411 1 767 . 1 1 63 63 LEU H H 1 8.998 0.004 . 1 . . . . 63 LEU H . 16411 1 768 . 1 1 63 63 LEU HA H 1 4.215 0.011 . 1 . . . . 63 LEU HA . 16411 1 769 . 1 1 63 63 LEU HB2 H 1 2.239 0.008 . 2 . . . . 63 LEU HB2 . 16411 1 770 . 1 1 63 63 LEU HB3 H 1 1.662 0.008 . 2 . . . . 63 LEU HB3 . 16411 1 771 . 1 1 63 63 LEU HD11 H 1 1.063 0.010 . . . . . . 63 LEU QD1 . 16411 1 772 . 1 1 63 63 LEU HD12 H 1 1.063 0.010 . . . . . . 63 LEU QD1 . 16411 1 773 . 1 1 63 63 LEU HD13 H 1 1.063 0.010 . . . . . . 63 LEU QD1 . 16411 1 774 . 1 1 63 63 LEU HD21 H 1 1.030 0.009 . . . . . . 63 LEU QD2 . 16411 1 775 . 1 1 63 63 LEU HD22 H 1 1.030 0.009 . . . . . . 63 LEU QD2 . 16411 1 776 . 1 1 63 63 LEU HD23 H 1 1.030 0.009 . . . . . . 63 LEU QD2 . 16411 1 777 . 1 1 63 63 LEU HG H 1 1.467 0.011 . 1 . . . . 63 LEU HG . 16411 1 778 . 1 1 63 63 LEU C C 13 176.592 0.000 . 1 . . . . 63 LEU C . 16411 1 779 . 1 1 63 63 LEU CA C 13 58.389 0.051 . 1 . . . . 63 LEU CA . 16411 1 780 . 1 1 63 63 LEU CB C 13 41.434 0.129 . 1 . . . . 63 LEU CB . 16411 1 781 . 1 1 63 63 LEU CD1 C 13 26.478 0.141 . 2 . . . . 63 LEU CD1 . 16411 1 782 . 1 1 63 63 LEU CD2 C 13 24.446 0.141 . 2 . . . . 63 LEU CD2 . 16411 1 783 . 1 1 63 63 LEU CG C 13 27.272 0.076 . 1 . . . . 63 LEU CG . 16411 1 784 . 1 1 63 63 LEU N N 15 121.276 0.036 . 1 . . . . 63 LEU N . 16411 1 785 . 1 1 64 64 MET H H 1 7.529 0.006 . 1 . . . . 64 MET H . 16411 1 786 . 1 1 64 64 MET HA H 1 2.863 0.010 . 1 . . . . 64 MET HA . 16411 1 787 . 1 1 64 64 MET HB2 H 1 2.047 0.009 . 2 . . . . 64 MET HB2 . 16411 1 788 . 1 1 64 64 MET HB3 H 1 1.174 0.009 . 2 . . . . 64 MET HB3 . 16411 1 789 . 1 1 64 64 MET HE1 H 1 1.926 0.004 . . . . . . 64 MET QE . 16411 1 790 . 1 1 64 64 MET HE2 H 1 1.926 0.004 . . . . . . 64 MET QE . 16411 1 791 . 1 1 64 64 MET HE3 H 1 1.926 0.004 . . . . . . 64 MET QE . 16411 1 792 . 1 1 64 64 MET HG2 H 1 0.806 0.006 . 2 . . . . 64 MET HG2 . 16411 1 793 . 1 1 64 64 MET HG3 H 1 0.637 0.014 . 2 . . . . 64 MET HG3 . 16411 1 794 . 1 1 64 64 MET C C 13 176.348 0.000 . 1 . . . . 64 MET C . 16411 1 795 . 1 1 64 64 MET CA C 13 60.050 0.040 . 1 . . . . 64 MET CA . 16411 1 796 . 1 1 64 64 MET CB C 13 31.063 0.079 . 1 . . . . 64 MET CB . 16411 1 797 . 1 1 64 64 MET CE C 13 16.728 0.077 . 1 . . . . 64 MET CE . 16411 1 798 . 1 1 64 64 MET CG C 13 30.991 0.056 . 1 . . . . 64 MET CG . 16411 1 799 . 1 1 64 64 MET N N 15 118.616 0.050 . 1 . . . . 64 MET N . 16411 1 800 . 1 1 65 65 ASN H H 1 8.248 0.011 . 1 . . . . 65 ASN H . 16411 1 801 . 1 1 65 65 ASN HA H 1 4.154 0.013 . 1 . . . . 65 ASN HA . 16411 1 802 . 1 1 65 65 ASN HB2 H 1 2.964 0.011 . 2 . . . . 65 ASN HB2 . 16411 1 803 . 1 1 65 65 ASN HB3 H 1 2.490 0.013 . 2 . . . . 65 ASN HB3 . 16411 1 804 . 1 1 65 65 ASN HD21 H 1 7.698 0.014 . 2 . . . . 65 ASN HD21 . 16411 1 805 . 1 1 65 65 ASN HD22 H 1 5.962 0.005 . 2 . . . . 65 ASN HD22 . 16411 1 806 . 1 1 65 65 ASN C C 13 175.703 0.000 . 1 . . . . 65 ASN C . 16411 1 807 . 1 1 65 65 ASN CA C 13 56.248 0.138 . 1 . . . . 65 ASN CA . 16411 1 808 . 1 1 65 65 ASN CB C 13 39.750 0.052 . 1 . . . . 65 ASN CB . 16411 1 809 . 1 1 65 65 ASN N N 15 115.158 0.013 . 1 . . . . 65 ASN N . 16411 1 810 . 1 1 65 65 ASN ND2 N 15 109.924 0.042 . 1 . . . . 65 ASN ND2 . 16411 1 811 . 1 1 66 66 HIS H H 1 8.135 0.007 . 1 . . . . 66 HIS H . 16411 1 812 . 1 1 66 66 HIS HA H 1 3.928 0.010 . 1 . . . . 66 HIS HA . 16411 1 813 . 1 1 66 66 HIS HB2 H 1 3.116 0.020 . 2 . . . . 66 HIS HB2 . 16411 1 814 . 1 1 66 66 HIS HB3 H 1 3.060 0.006 . 2 . . . . 66 HIS HB3 . 16411 1 815 . 1 1 66 66 HIS HD2 H 1 6.999 0.009 . 1 . . . . 66 HIS HD2 . 16411 1 816 . 1 1 66 66 HIS C C 13 178.375 0.000 . 1 . . . . 66 HIS C . 16411 1 817 . 1 1 66 66 HIS CA C 13 60.946 0.059 . 1 . . . . 66 HIS CA . 16411 1 818 . 1 1 66 66 HIS CB C 13 31.611 0.003 . 1 . . . . 66 HIS CB . 16411 1 819 . 1 1 66 66 HIS N N 15 118.768 0.025 . 1 . . . . 66 HIS N . 16411 1 820 . 1 1 67 67 VAL H H 1 8.415 0.006 . 1 . . . . 67 VAL H . 16411 1 821 . 1 1 67 67 VAL HA H 1 3.493 0.009 . 1 . . . . 67 VAL HA . 16411 1 822 . 1 1 67 67 VAL HB H 1 1.872 0.005 . 1 . . . . 67 VAL HB . 16411 1 823 . 1 1 67 67 VAL HG11 H 1 0.943 0.012 . . . . . . 67 VAL QG1 . 16411 1 824 . 1 1 67 67 VAL HG12 H 1 0.943 0.012 . . . . . . 67 VAL QG1 . 16411 1 825 . 1 1 67 67 VAL HG13 H 1 0.943 0.012 . . . . . . 67 VAL QG1 . 16411 1 826 . 1 1 67 67 VAL HG21 H 1 0.275 0.007 . . . . . . 67 VAL QG2 . 16411 1 827 . 1 1 67 67 VAL HG22 H 1 0.275 0.007 . . . . . . 67 VAL QG2 . 16411 1 828 . 1 1 67 67 VAL HG23 H 1 0.275 0.007 . . . . . . 67 VAL QG2 . 16411 1 829 . 1 1 67 67 VAL C C 13 178.131 0.000 . 1 . . . . 67 VAL C . 16411 1 830 . 1 1 67 67 VAL CA C 13 66.330 0.033 . 1 . . . . 67 VAL CA . 16411 1 831 . 1 1 67 67 VAL CB C 13 31.230 0.074 . 1 . . . . 67 VAL CB . 16411 1 832 . 1 1 67 67 VAL CG1 C 13 24.308 0.050 . 2 . . . . 67 VAL CG1 . 16411 1 833 . 1 1 67 67 VAL CG2 C 13 20.585 0.038 . 2 . . . . 67 VAL CG2 . 16411 1 834 . 1 1 67 67 VAL N N 15 117.971 0.021 . 1 . . . . 67 VAL N . 16411 1 835 . 1 1 68 68 VAL H H 1 8.284 0.008 . 1 . . . . 68 VAL H . 16411 1 836 . 1 1 68 68 VAL HA H 1 3.797 0.011 . 1 . . . . 68 VAL HA . 16411 1 837 . 1 1 68 68 VAL HB H 1 1.875 0.008 . 1 . . . . 68 VAL HB . 16411 1 838 . 1 1 68 68 VAL HG11 H 1 0.884 0.009 . . . . . . 68 VAL QG1 . 16411 1 839 . 1 1 68 68 VAL HG12 H 1 0.884 0.009 . . . . . . 68 VAL QG1 . 16411 1 840 . 1 1 68 68 VAL HG13 H 1 0.884 0.009 . . . . . . 68 VAL QG1 . 16411 1 841 . 1 1 68 68 VAL HG21 H 1 0.779 0.010 . . . . . . 68 VAL QG2 . 16411 1 842 . 1 1 68 68 VAL HG22 H 1 0.779 0.010 . . . . . . 68 VAL QG2 . 16411 1 843 . 1 1 68 68 VAL HG23 H 1 0.779 0.010 . . . . . . 68 VAL QG2 . 16411 1 844 . 1 1 68 68 VAL C C 13 178.344 0.000 . 1 . . . . 68 VAL C . 16411 1 845 . 1 1 68 68 VAL CA C 13 65.837 0.070 . 1 . . . . 68 VAL CA . 16411 1 846 . 1 1 68 68 VAL CB C 13 30.811 0.083 . 1 . . . . 68 VAL CB . 16411 1 847 . 1 1 68 68 VAL CG1 C 13 20.682 0.084 . 2 . . . . 68 VAL CG1 . 16411 1 848 . 1 1 68 68 VAL CG2 C 13 23.123 0.043 . 2 . . . . 68 VAL CG2 . 16411 1 849 . 1 1 68 68 VAL N N 15 112.690 0.043 . 1 . . . . 68 VAL N . 16411 1 850 . 1 1 69 69 GLN H H 1 7.610 0.005 . 1 . . . . 69 GLN H . 16411 1 851 . 1 1 69 69 GLN HA H 1 3.903 0.013 . 1 . . . . 69 GLN HA . 16411 1 852 . 1 1 69 69 GLN HB2 H 1 2.001 0.007 . 2 . . . . 69 GLN HB2 . 16411 1 853 . 1 1 69 69 GLN HB3 H 1 1.923 0.017 . 2 . . . . 69 GLN HB3 . 16411 1 854 . 1 1 69 69 GLN HE21 H 1 7.341 0.007 . 2 . . . . 69 GLN HE21 . 16411 1 855 . 1 1 69 69 GLN HE22 H 1 6.289 0.004 . 2 . . . . 69 GLN HE22 . 16411 1 856 . 1 1 69 69 GLN HG2 H 1 2.486 0.008 . 2 . . . . 69 GLN HG2 . 16411 1 857 . 1 1 69 69 GLN HG3 H 1 1.941 0.010 . 2 . . . . 69 GLN HG3 . 16411 1 858 . 1 1 69 69 GLN C C 13 179.436 0.000 . 1 . . . . 69 GLN C . 16411 1 859 . 1 1 69 69 GLN CA C 13 59.699 0.066 . 1 . . . . 69 GLN CA . 16411 1 860 . 1 1 69 69 GLN CB C 13 28.473 0.151 . 1 . . . . 69 GLN CB . 16411 1 861 . 1 1 69 69 GLN CG C 13 34.557 0.058 . 1 . . . . 69 GLN CG . 16411 1 862 . 1 1 69 69 GLN N N 15 120.289 0.048 . 1 . . . . 69 GLN N . 16411 1 863 . 1 1 69 69 GLN NE2 N 15 111.238 0.029 . 1 . . . . 69 GLN NE2 . 16411 1 864 . 1 1 70 70 GLN H H 1 8.132 0.008 . 1 . . . . 70 GLN H . 16411 1 865 . 1 1 70 70 GLN HA H 1 3.935 0.009 . 1 . . . . 70 GLN HA . 16411 1 866 . 1 1 70 70 GLN HB2 H 1 1.980 0.017 . 2 . . . . 70 GLN HB2 . 16411 1 867 . 1 1 70 70 GLN HB3 H 1 1.936 0.002 . 2 . . . . 70 GLN HB3 . 16411 1 868 . 1 1 70 70 GLN HE21 H 1 7.106 0.002 . 2 . . . . 70 GLN HE21 . 16411 1 869 . 1 1 70 70 GLN HE22 H 1 6.733 0.003 . 2 . . . . 70 GLN HE22 . 16411 1 870 . 1 1 70 70 GLN HG2 H 1 2.271 0.004 . 2 . . . . 70 GLN HG2 . 16411 1 871 . 1 1 70 70 GLN HG3 H 1 2.159 0.006 . 2 . . . . 70 GLN HG3 . 16411 1 872 . 1 1 70 70 GLN C C 13 178.576 0.000 . 1 . . . . 70 GLN C . 16411 1 873 . 1 1 70 70 GLN CA C 13 58.007 0.120 . 1 . . . . 70 GLN CA . 16411 1 874 . 1 1 70 70 GLN CB C 13 28.646 0.195 . 1 . . . . 70 GLN CB . 16411 1 875 . 1 1 70 70 GLN CG C 13 33.916 0.062 . 1 . . . . 70 GLN CG . 16411 1 876 . 1 1 70 70 GLN N N 15 120.436 0.030 . 1 . . . . 70 GLN N . 16411 1 877 . 1 1 70 70 GLN NE2 N 15 112.971 0.059 . 1 . . . . 70 GLN NE2 . 16411 1 878 . 1 1 71 71 ALA H H 1 8.955 0.006 . 1 . . . . 71 ALA H . 16411 1 879 . 1 1 71 71 ALA HA H 1 3.858 0.005 . 1 . . . . 71 ALA HA . 16411 1 880 . 1 1 71 71 ALA HB1 H 1 1.680 0.009 . . . . . . 71 ALA QB . 16411 1 881 . 1 1 71 71 ALA HB2 H 1 1.680 0.009 . . . . . . 71 ALA QB . 16411 1 882 . 1 1 71 71 ALA HB3 H 1 1.680 0.009 . . . . . . 71 ALA QB . 16411 1 883 . 1 1 71 71 ALA C C 13 179.240 0.000 . 1 . . . . 71 ALA C . 16411 1 884 . 1 1 71 71 ALA CA C 13 55.275 0.087 . 1 . . . . 71 ALA CA . 16411 1 885 . 1 1 71 71 ALA CB C 13 18.509 0.081 . 1 . . . . 71 ALA CB . 16411 1 886 . 1 1 71 71 ALA N N 15 121.664 0.012 . 1 . . . . 71 ALA N . 16411 1 887 . 1 1 72 72 LYS H H 1 7.779 0.009 . 1 . . . . 72 LYS H . 16411 1 888 . 1 1 72 72 LYS HA H 1 4.050 0.007 . 1 . . . . 72 LYS HA . 16411 1 889 . 1 1 72 72 LYS HB2 H 1 1.868 0.007 . 2 . . . . 72 LYS HB2 . 16411 1 890 . 1 1 72 72 LYS HB3 H 1 1.761 0.011 . 2 . . . . 72 LYS HB3 . 16411 1 891 . 1 1 72 72 LYS HD2 H 1 1.578 0.014 . 2 . . . . 72 LYS QD . 16411 1 892 . 1 1 72 72 LYS HD3 H 1 1.578 0.014 . 2 . . . . 72 LYS QD . 16411 1 893 . 1 1 72 72 LYS HE2 H 1 3.019 0.014 . 2 . . . . 72 LYS QE . 16411 1 894 . 1 1 72 72 LYS HE3 H 1 3.019 0.014 . 2 . . . . 72 LYS QE . 16411 1 895 . 1 1 72 72 LYS HG2 H 1 1.439 0.010 . 2 . . . . 72 LYS HG2 . 16411 1 896 . 1 1 72 72 LYS HG3 H 1 1.320 0.014 . 2 . . . . 72 LYS HG3 . 16411 1 897 . 1 1 72 72 LYS C C 13 180.712 0.000 . 1 . . . . 72 LYS C . 16411 1 898 . 1 1 72 72 LYS CA C 13 59.344 0.122 . 1 . . . . 72 LYS CA . 16411 1 899 . 1 1 72 72 LYS CB C 13 32.244 0.052 . 1 . . . . 72 LYS CB . 16411 1 900 . 1 1 72 72 LYS CD C 13 29.814 0.165 . 1 . . . . 72 LYS CD . 16411 1 901 . 1 1 72 72 LYS CE C 13 42.256 0.073 . 1 . . . . 72 LYS CE . 16411 1 902 . 1 1 72 72 LYS CG C 13 25.035 0.034 . 1 . . . . 72 LYS CG . 16411 1 903 . 1 1 72 72 LYS N N 15 118.589 0.032 . 1 . . . . 72 LYS N . 16411 1 904 . 1 1 73 73 GLY H H 1 7.716 0.005 . 1 . . . . 73 GLY H . 16411 1 905 . 1 1 73 73 GLY HA2 H 1 4.029 0.005 . 2 . . . . 73 GLY HA2 . 16411 1 906 . 1 1 73 73 GLY HA3 H 1 3.879 0.008 . 2 . . . . 73 GLY HA3 . 16411 1 907 . 1 1 73 73 GLY C C 13 175.189 0.000 . 1 . . . . 73 GLY C . 16411 1 908 . 1 1 73 73 GLY CA C 13 46.875 0.031 . 1 . . . . 73 GLY CA . 16411 1 909 . 1 1 73 73 GLY N N 15 106.908 0.029 . 1 . . . . 73 GLY N . 16411 1 910 . 1 1 74 74 GLN H H 1 7.811 0.008 . 1 . . . . 74 GLN H . 16411 1 911 . 1 1 74 74 GLN HA H 1 4.325 0.008 . 1 . . . . 74 GLN HA . 16411 1 912 . 1 1 74 74 GLN HB2 H 1 2.381 0.016 . 2 . . . . 74 GLN QB . 16411 1 913 . 1 1 74 74 GLN HB3 H 1 2.381 0.016 . 2 . . . . 74 GLN QB . 16411 1 914 . 1 1 74 74 GLN HE21 H 1 7.333 0.005 . 2 . . . . 74 GLN HE21 . 16411 1 915 . 1 1 74 74 GLN HE22 H 1 6.794 0.003 . 2 . . . . 74 GLN HE22 . 16411 1 916 . 1 1 74 74 GLN HG2 H 1 2.451 0.010 . 2 . . . . 74 GLN HG2 . 16411 1 917 . 1 1 74 74 GLN HG3 H 1 2.356 0.004 . 2 . . . . 74 GLN HG3 . 16411 1 918 . 1 1 74 74 GLN C C 13 174.464 0.000 . 1 . . . . 74 GLN C . 16411 1 919 . 1 1 74 74 GLN CA C 13 55.755 0.009 . 1 . . . . 74 GLN CA . 16411 1 920 . 1 1 74 74 GLN CB C 13 29.682 0.096 . 1 . . . . 74 GLN CB . 16411 1 921 . 1 1 74 74 GLN CG C 13 34.529 0.037 . 1 . . . . 74 GLN CG . 16411 1 922 . 1 1 74 74 GLN N N 15 117.628 0.036 . 1 . . . . 74 GLN N . 16411 1 923 . 1 1 74 74 GLN NE2 N 15 111.208 0.020 . 1 . . . . 74 GLN NE2 . 16411 1 924 . 1 1 75 75 LYS H H 1 7.815 0.003 . 1 . . . . 75 LYS H . 16411 1 925 . 1 1 75 75 LYS HA H 1 3.965 0.011 . 1 . . . . 75 LYS HA . 16411 1 926 . 1 1 75 75 LYS HB2 H 1 2.124 0.004 . 2 . . . . 75 LYS HB2 . 16411 1 927 . 1 1 75 75 LYS HB3 H 1 1.962 0.010 . 2 . . . . 75 LYS HB3 . 16411 1 928 . 1 1 75 75 LYS HD2 H 1 1.727 0.006 . 2 . . . . 75 LYS QD . 16411 1 929 . 1 1 75 75 LYS HD3 H 1 1.727 0.006 . 2 . . . . 75 LYS QD . 16411 1 930 . 1 1 75 75 LYS HE2 H 1 3.012 0.000 . 2 . . . . 75 LYS QE . 16411 1 931 . 1 1 75 75 LYS HE3 H 1 3.012 0.000 . 2 . . . . 75 LYS QE . 16411 1 932 . 1 1 75 75 LYS HG2 H 1 1.353 0.011 . 2 . . . . 75 LYS QG . 16411 1 933 . 1 1 75 75 LYS HG3 H 1 1.353 0.011 . 2 . . . . 75 LYS QG . 16411 1 934 . 1 1 75 75 LYS C C 13 176.063 0.000 . 1 . . . . 75 LYS C . 16411 1 935 . 1 1 75 75 LYS CA C 13 57.683 0.128 . 1 . . . . 75 LYS CA . 16411 1 936 . 1 1 75 75 LYS CB C 13 28.977 0.046 . 1 . . . . 75 LYS CB . 16411 1 937 . 1 1 75 75 LYS CD C 13 29.343 0.023 . 1 . . . . 75 LYS CD . 16411 1 938 . 1 1 75 75 LYS CE C 13 42.292 0.000 . 1 . . . . 75 LYS CE . 16411 1 939 . 1 1 75 75 LYS CG C 13 25.038 0.037 . 1 . . . . 75 LYS CG . 16411 1 940 . 1 1 75 75 LYS N N 15 116.021 0.043 . 1 . . . . 75 LYS N . 16411 1 941 . 1 1 76 76 ILE H H 1 8.542 0.009 . 1 . . . . 76 ILE H . 16411 1 942 . 1 1 76 76 ILE HA H 1 4.401 0.007 . 1 . . . . 76 ILE HA . 16411 1 943 . 1 1 76 76 ILE HB H 1 1.910 0.006 . 1 . . . . 76 ILE HB . 16411 1 944 . 1 1 76 76 ILE HD11 H 1 0.797 0.010 . . . . . . 76 ILE QD1 . 16411 1 945 . 1 1 76 76 ILE HD12 H 1 0.797 0.010 . . . . . . 76 ILE QD1 . 16411 1 946 . 1 1 76 76 ILE HD13 H 1 0.797 0.010 . . . . . . 76 ILE QD1 . 16411 1 947 . 1 1 76 76 ILE HG12 H 1 1.489 0.007 . 2 . . . . 76 ILE HG12 . 16411 1 948 . 1 1 76 76 ILE HG13 H 1 0.905 0.006 . 2 . . . . 76 ILE HG13 . 16411 1 949 . 1 1 76 76 ILE HG21 H 1 1.074 0.006 . . . . . . 76 ILE QG2 . 16411 1 950 . 1 1 76 76 ILE HG22 H 1 1.074 0.006 . . . . . . 76 ILE QG2 . 16411 1 951 . 1 1 76 76 ILE HG23 H 1 1.074 0.006 . . . . . . 76 ILE QG2 . 16411 1 952 . 1 1 76 76 ILE C C 13 177.538 0.000 . 1 . . . . 76 ILE C . 16411 1 953 . 1 1 76 76 ILE CA C 13 59.803 0.046 . 1 . . . . 76 ILE CA . 16411 1 954 . 1 1 76 76 ILE CB C 13 37.405 0.063 . 1 . . . . 76 ILE CB . 16411 1 955 . 1 1 76 76 ILE CD1 C 13 13.549 0.110 . 1 . . . . 76 ILE CD1 . 16411 1 956 . 1 1 76 76 ILE CG1 C 13 26.769 0.121 . 1 . . . . 76 ILE CG1 . 16411 1 957 . 1 1 76 76 ILE CG2 C 13 19.153 0.052 . 1 . . . . 76 ILE CG2 . 16411 1 958 . 1 1 76 76 ILE N N 15 121.421 0.024 . 1 . . . . 76 ILE N . 16411 1 959 . 1 1 77 77 ILE H H 1 7.810 0.004 . 1 . . . . 77 ILE H . 16411 1 960 . 1 1 77 77 ILE HA H 1 4.169 0.010 . 1 . . . . 77 ILE HA . 16411 1 961 . 1 1 77 77 ILE HB H 1 1.951 0.004 . 1 . . . . 77 ILE HB . 16411 1 962 . 1 1 77 77 ILE HD11 H 1 0.888 0.004 . . . . . . 77 ILE QD1 . 16411 1 963 . 1 1 77 77 ILE HD12 H 1 0.888 0.004 . . . . . . 77 ILE QD1 . 16411 1 964 . 1 1 77 77 ILE HD13 H 1 0.888 0.004 . . . . . . 77 ILE QD1 . 16411 1 965 . 1 1 77 77 ILE HG12 H 1 1.412 0.008 . 2 . . . . 77 ILE HG12 . 16411 1 966 . 1 1 77 77 ILE HG13 H 1 1.313 0.007 . 2 . . . . 77 ILE HG13 . 16411 1 967 . 1 1 77 77 ILE HG21 H 1 0.941 0.012 . . . . . . 77 ILE QG2 . 16411 1 968 . 1 1 77 77 ILE HG22 H 1 0.941 0.012 . . . . . . 77 ILE QG2 . 16411 1 969 . 1 1 77 77 ILE HG23 H 1 0.941 0.012 . . . . . . 77 ILE QG2 . 16411 1 970 . 1 1 77 77 ILE CA C 13 62.852 0.041 . 1 . . . . 77 ILE CA . 16411 1 971 . 1 1 77 77 ILE CB C 13 38.697 0.087 . 1 . . . . 77 ILE CB . 16411 1 972 . 1 1 77 77 ILE CD1 C 13 13.529 0.040 . 1 . . . . 77 ILE CD1 . 16411 1 973 . 1 1 77 77 ILE CG1 C 13 27.593 0.101 . 1 . . . . 77 ILE CG1 . 16411 1 974 . 1 1 77 77 ILE CG2 C 13 17.824 0.052 . 1 . . . . 77 ILE CG2 . 16411 1 975 . 1 1 77 77 ILE N N 15 122.978 0.037 . 1 . . . . 77 ILE N . 16411 1 976 . 1 1 78 78 GLN H H 1 9.535 0.007 . 1 . . . . 78 GLN H . 16411 1 977 . 1 1 78 78 GLN HA H 1 4.174 0.005 . 1 . . . . 78 GLN HA . 16411 1 978 . 1 1 78 78 GLN HB2 H 1 1.901 0.006 . 2 . . . . 78 GLN HB2 . 16411 1 979 . 1 1 78 78 GLN HB3 H 1 1.705 0.006 . 2 . . . . 78 GLN HB3 . 16411 1 980 . 1 1 78 78 GLN HE21 H 1 7.719 0.004 . 2 . . . . 78 GLN HE21 . 16411 1 981 . 1 1 78 78 GLN HE22 H 1 7.020 0.003 . 2 . . . . 78 GLN HE22 . 16411 1 982 . 1 1 78 78 GLN HG2 H 1 2.672 0.005 . 2 . . . . 78 GLN HG2 . 16411 1 983 . 1 1 78 78 GLN HG3 H 1 2.528 0.006 . 2 . . . . 78 GLN HG3 . 16411 1 984 . 1 1 78 78 GLN C C 13 179.740 0.000 . 1 . . . . 78 GLN C . 16411 1 985 . 1 1 78 78 GLN CA C 13 60.074 0.104 . 1 . . . . 78 GLN CA . 16411 1 986 . 1 1 78 78 GLN CB C 13 28.316 0.065 . 1 . . . . 78 GLN CB . 16411 1 987 . 1 1 78 78 GLN CG C 13 34.634 0.056 . 1 . . . . 78 GLN CG . 16411 1 988 . 1 1 78 78 GLN N N 15 120.348 0.037 . 1 . . . . 78 GLN N . 16411 1 989 . 1 1 78 78 GLN NE2 N 15 111.198 0.051 . 1 . . . . 78 GLN NE2 . 16411 1 990 . 1 1 79 79 PHE H H 1 7.378 0.009 . 1 . . . . 79 PHE H . 16411 1 991 . 1 1 79 79 PHE HA H 1 4.432 0.010 . 1 . . . . 79 PHE HA . 16411 1 992 . 1 1 79 79 PHE HB2 H 1 3.071 0.008 . 2 . . . . 79 PHE HB2 . 16411 1 993 . 1 1 79 79 PHE HB3 H 1 2.915 0.012 . 2 . . . . 79 PHE HB3 . 16411 1 994 . 1 1 79 79 PHE HD1 H 1 7.224 0.013 . 3 . . . . 79 PHE QD . 16411 1 995 . 1 1 79 79 PHE HD2 H 1 7.224 0.013 . 3 . . . . 79 PHE QD . 16411 1 996 . 1 1 79 79 PHE C C 13 178.154 0.000 . 1 . . . . 79 PHE C . 16411 1 997 . 1 1 79 79 PHE CA C 13 62.792 0.110 . 1 . . . . 79 PHE CA . 16411 1 998 . 1 1 79 79 PHE CB C 13 39.651 0.052 . 1 . . . . 79 PHE CB . 16411 1 999 . 1 1 79 79 PHE N N 15 114.743 0.036 . 1 . . . . 79 PHE N . 16411 1 1000 . 1 1 80 80 GLN H H 1 8.236 0.010 . 1 . . . . 80 GLN H . 16411 1 1001 . 1 1 80 80 GLN HA H 1 4.123 0.011 . 1 . . . . 80 GLN HA . 16411 1 1002 . 1 1 80 80 GLN HB2 H 1 2.491 0.012 . 2 . . . . 80 GLN HB2 . 16411 1 1003 . 1 1 80 80 GLN HB3 H 1 2.416 0.013 . 2 . . . . 80 GLN HB3 . 16411 1 1004 . 1 1 80 80 GLN HE21 H 1 7.882 0.007 . 2 . . . . 80 GLN HE21 . 16411 1 1005 . 1 1 80 80 GLN HE22 H 1 6.835 0.004 . 2 . . . . 80 GLN HE22 . 16411 1 1006 . 1 1 80 80 GLN HG2 H 1 2.378 0.015 . 2 . . . . 80 GLN HG2 . 16411 1 1007 . 1 1 80 80 GLN HG3 H 1 2.350 0.012 . 2 . . . . 80 GLN HG3 . 16411 1 1008 . 1 1 80 80 GLN C C 13 178.258 0.000 . 1 . . . . 80 GLN C . 16411 1 1009 . 1 1 80 80 GLN CA C 13 60.014 0.076 . 1 . . . . 80 GLN CA . 16411 1 1010 . 1 1 80 80 GLN CB C 13 29.082 0.058 . 1 . . . . 80 GLN CB . 16411 1 1011 . 1 1 80 80 GLN CG C 13 35.233 0.028 . 1 . . . . 80 GLN CG . 16411 1 1012 . 1 1 80 80 GLN N N 15 120.779 0.050 . 1 . . . . 80 GLN N . 16411 1 1013 . 1 1 80 80 GLN NE2 N 15 109.873 0.029 . 1 . . . . 80 GLN NE2 . 16411 1 1014 . 1 1 81 81 ASP H H 1 8.087 0.007 . 1 . . . . 81 ASP H . 16411 1 1015 . 1 1 81 81 ASP HA H 1 4.468 0.007 . 1 . . . . 81 ASP HA . 16411 1 1016 . 1 1 81 81 ASP HB2 H 1 2.679 0.004 . 2 . . . . 81 ASP QB . 16411 1 1017 . 1 1 81 81 ASP HB3 H 1 2.679 0.004 . 2 . . . . 81 ASP QB . 16411 1 1018 . 1 1 81 81 ASP C C 13 179.347 0.000 . 1 . . . . 81 ASP C . 16411 1 1019 . 1 1 81 81 ASP CA C 13 57.155 0.175 . 1 . . . . 81 ASP CA . 16411 1 1020 . 1 1 81 81 ASP CB C 13 41.239 0.065 . 1 . . . . 81 ASP CB . 16411 1 1021 . 1 1 81 81 ASP N N 15 118.438 0.018 . 1 . . . . 81 ASP N . 16411 1 1022 . 1 1 82 82 SER H H 1 8.172 0.010 . 1 . . . . 82 SER H . 16411 1 1023 . 1 1 82 82 SER HA H 1 4.218 0.008 . 1 . . . . 82 SER HA . 16411 1 1024 . 1 1 82 82 SER HB2 H 1 3.554 0.014 . 2 . . . . 82 SER HB2 . 16411 1 1025 . 1 1 82 82 SER HB3 H 1 3.525 0.019 . 2 . . . . 82 SER HB3 . 16411 1 1026 . 1 1 82 82 SER C C 13 177.358 0.000 . 1 . . . . 82 SER C . 16411 1 1027 . 1 1 82 82 SER CA C 13 62.810 0.073 . 1 . . . . 82 SER CA . 16411 1 1028 . 1 1 82 82 SER CB C 13 62.594 0.022 . 1 . . . . 82 SER CB . 16411 1 1029 . 1 1 82 82 SER N N 15 114.020 0.033 . 1 . . . . 82 SER N . 16411 1 1030 . 1 1 83 83 PHE H H 1 8.518 0.012 . 1 . . . . 83 PHE H . 16411 1 1031 . 1 1 83 83 PHE HA H 1 4.376 0.008 . 1 . . . . 83 PHE HA . 16411 1 1032 . 1 1 83 83 PHE HB2 H 1 3.269 0.012 . 2 . . . . 83 PHE HB2 . 16411 1 1033 . 1 1 83 83 PHE HB3 H 1 2.855 0.009 . 2 . . . . 83 PHE HB3 . 16411 1 1034 . 1 1 83 83 PHE HD1 H 1 7.023 0.013 . 3 . . . . 83 PHE QD . 16411 1 1035 . 1 1 83 83 PHE HD2 H 1 7.023 0.013 . 3 . . . . 83 PHE QD . 16411 1 1036 . 1 1 83 83 PHE HE1 H 1 6.665 0.006 . 3 . . . . 83 PHE QE . 16411 1 1037 . 1 1 83 83 PHE HE2 H 1 6.665 0.006 . 3 . . . . 83 PHE QE . 16411 1 1038 . 1 1 83 83 PHE HZ H 1 6.573 0.007 . 1 . . . . 83 PHE HZ . 16411 1 1039 . 1 1 83 83 PHE C C 13 178.354 0.000 . 1 . . . . 83 PHE C . 16411 1 1040 . 1 1 83 83 PHE CA C 13 62.441 0.050 . 1 . . . . 83 PHE CA . 16411 1 1041 . 1 1 83 83 PHE CB C 13 37.756 0.163 . 1 . . . . 83 PHE CB . 16411 1 1042 . 1 1 83 83 PHE N N 15 118.434 0.087 . 1 . . . . 83 PHE N . 16411 1 1043 . 1 1 84 84 GLY H H 1 8.069 0.005 . 1 . . . . 84 GLY H . 16411 1 1044 . 1 1 84 84 GLY HA2 H 1 3.883 0.009 . 2 . . . . 84 GLY HA2 . 16411 1 1045 . 1 1 84 84 GLY HA3 H 1 2.795 0.008 . 2 . . . . 84 GLY HA3 . 16411 1 1046 . 1 1 84 84 GLY C C 13 174.478 0.000 . 1 . . . . 84 GLY C . 16411 1 1047 . 1 1 84 84 GLY CA C 13 47.530 0.081 . 1 . . . . 84 GLY CA . 16411 1 1048 . 1 1 84 84 GLY N N 15 108.160 0.026 . 1 . . . . 84 GLY N . 16411 1 1049 . 1 1 85 85 LYS H H 1 7.140 0.008 . 1 . . . . 85 LYS H . 16411 1 1050 . 1 1 85 85 LYS HA H 1 4.122 0.011 . 1 . . . . 85 LYS HA . 16411 1 1051 . 1 1 85 85 LYS HB2 H 1 1.935 0.010 . 2 . . . . 85 LYS HB2 . 16411 1 1052 . 1 1 85 85 LYS HB3 H 1 1.980 0.018 . 2 . . . . 85 LYS HB3 . 16411 1 1053 . 1 1 85 85 LYS HD2 H 1 1.699 0.003 . 2 . . . . 85 LYS QD . 16411 1 1054 . 1 1 85 85 LYS HD3 H 1 1.699 0.003 . 2 . . . . 85 LYS QD . 16411 1 1055 . 1 1 85 85 LYS HE2 H 1 2.976 0.006 . 2 . . . . 85 LYS QE . 16411 1 1056 . 1 1 85 85 LYS HE3 H 1 2.976 0.006 . 2 . . . . 85 LYS QE . 16411 1 1057 . 1 1 85 85 LYS HG2 H 1 1.688 0.008 . 2 . . . . 85 LYS HG2 . 16411 1 1058 . 1 1 85 85 LYS HG3 H 1 1.516 0.004 . 2 . . . . 85 LYS HG3 . 16411 1 1059 . 1 1 85 85 LYS C C 13 177.984 0.000 . 1 . . . . 85 LYS C . 16411 1 1060 . 1 1 85 85 LYS CA C 13 58.690 0.059 . 1 . . . . 85 LYS CA . 16411 1 1061 . 1 1 85 85 LYS CB C 13 33.386 0.022 . 1 . . . . 85 LYS CB . 16411 1 1062 . 1 1 85 85 LYS CD C 13 29.328 0.022 . 1 . . . . 85 LYS CD . 16411 1 1063 . 1 1 85 85 LYS CE C 13 42.138 0.039 . 1 . . . . 85 LYS CE . 16411 1 1064 . 1 1 85 85 LYS CG C 13 25.548 0.028 . 1 . . . . 85 LYS CG . 16411 1 1065 . 1 1 85 85 LYS N N 15 116.869 0.041 . 1 . . . . 85 LYS N . 16411 1 1066 . 1 1 86 86 VAL H H 1 6.935 0.006 . 1 . . . . 86 VAL H . 16411 1 1067 . 1 1 86 86 VAL HA H 1 5.053 0.007 . 1 . . . . 86 VAL HA . 16411 1 1068 . 1 1 86 86 VAL HB H 1 2.599 0.007 . 1 . . . . 86 VAL HB . 16411 1 1069 . 1 1 86 86 VAL HG11 H 1 0.975 0.015 . . . . . . 86 VAL QG1 . 16411 1 1070 . 1 1 86 86 VAL HG12 H 1 0.975 0.015 . . . . . . 86 VAL QG1 . 16411 1 1071 . 1 1 86 86 VAL HG13 H 1 0.975 0.015 . . . . . . 86 VAL QG1 . 16411 1 1072 . 1 1 86 86 VAL HG21 H 1 1.360 0.008 . . . . . . 86 VAL QG2 . 16411 1 1073 . 1 1 86 86 VAL HG22 H 1 1.360 0.008 . . . . . . 86 VAL QG2 . 16411 1 1074 . 1 1 86 86 VAL HG23 H 1 1.360 0.008 . . . . . . 86 VAL QG2 . 16411 1 1075 . 1 1 86 86 VAL C C 13 176.626 0.000 . 1 . . . . 86 VAL C . 16411 1 1076 . 1 1 86 86 VAL CA C 13 60.288 0.092 . 1 . . . . 86 VAL CA . 16411 1 1077 . 1 1 86 86 VAL CB C 13 33.268 0.042 . 1 . . . . 86 VAL CB . 16411 1 1078 . 1 1 86 86 VAL CG1 C 13 21.631 0.050 . 2 . . . . 86 VAL CG1 . 16411 1 1079 . 1 1 86 86 VAL CG2 C 13 18.762 0.048 . 2 . . . . 86 VAL CG2 . 16411 1 1080 . 1 1 86 86 VAL N N 15 105.378 0.076 . 1 . . . . 86 VAL N . 16411 1 1081 . 1 1 87 87 ALA H H 1 7.554 0.004 . 1 . . . . 87 ALA H . 16411 1 1082 . 1 1 87 87 ALA HA H 1 3.979 0.005 . 1 . . . . 87 ALA HA . 16411 1 1083 . 1 1 87 87 ALA HB1 H 1 1.171 0.008 . . . . . . 87 ALA QB . 16411 1 1084 . 1 1 87 87 ALA HB2 H 1 1.171 0.008 . . . . . . 87 ALA QB . 16411 1 1085 . 1 1 87 87 ALA HB3 H 1 1.171 0.008 . . . . . . 87 ALA QB . 16411 1 1086 . 1 1 87 87 ALA C C 13 178.467 0.000 . 1 . . . . 87 ALA C . 16411 1 1087 . 1 1 87 87 ALA CA C 13 56.783 0.046 . 1 . . . . 87 ALA CA . 16411 1 1088 . 1 1 87 87 ALA CB C 13 18.715 0.045 . 1 . . . . 87 ALA CB . 16411 1 1089 . 1 1 87 87 ALA N N 15 123.007 0.038 . 1 . . . . 87 ALA N . 16411 1 1090 . 1 1 88 88 ALA H H 1 9.378 0.006 . 1 . . . . 88 ALA H . 16411 1 1091 . 1 1 88 88 ALA HA H 1 3.839 0.007 . 1 . . . . 88 ALA HA . 16411 1 1092 . 1 1 88 88 ALA HB1 H 1 1.303 0.005 . . . . . . 88 ALA QB . 16411 1 1093 . 1 1 88 88 ALA HB2 H 1 1.303 0.005 . . . . . . 88 ALA QB . 16411 1 1094 . 1 1 88 88 ALA HB3 H 1 1.303 0.005 . . . . . . 88 ALA QB . 16411 1 1095 . 1 1 88 88 ALA C C 13 179.953 0.000 . 1 . . . . 88 ALA C . 16411 1 1096 . 1 1 88 88 ALA CA C 13 56.864 0.042 . 1 . . . . 88 ALA CA . 16411 1 1097 . 1 1 88 88 ALA CB C 13 17.215 0.044 . 1 . . . . 88 ALA CB . 16411 1 1098 . 1 1 88 88 ALA N N 15 119.370 0.025 . 1 . . . . 88 ALA N . 16411 1 1099 . 1 1 89 89 GLU H H 1 8.773 0.008 . 1 . . . . 89 GLU H . 16411 1 1100 . 1 1 89 89 GLU HA H 1 3.968 0.006 . 1 . . . . 89 GLU HA . 16411 1 1101 . 1 1 89 89 GLU HB2 H 1 2.082 0.013 . 2 . . . . 89 GLU HB2 . 16411 1 1102 . 1 1 89 89 GLU HB3 H 1 1.932 0.006 . 2 . . . . 89 GLU HB3 . 16411 1 1103 . 1 1 89 89 GLU HG2 H 1 2.250 0.006 . 2 . . . . 89 GLU HG2 . 16411 1 1104 . 1 1 89 89 GLU HG3 H 1 2.036 0.004 . 2 . . . . 89 GLU HG3 . 16411 1 1105 . 1 1 89 89 GLU C C 13 179.249 0.000 . 1 . . . . 89 GLU C . 16411 1 1106 . 1 1 89 89 GLU CA C 13 58.963 0.040 . 1 . . . . 89 GLU CA . 16411 1 1107 . 1 1 89 89 GLU CB C 13 29.537 0.045 . 1 . . . . 89 GLU CB . 16411 1 1108 . 1 1 89 89 GLU CG C 13 35.588 0.055 . 1 . . . . 89 GLU CG . 16411 1 1109 . 1 1 89 89 GLU N N 15 119.581 0.030 . 1 . . . . 89 GLU N . 16411 1 1110 . 1 1 90 90 VAL H H 1 7.720 0.006 . 1 . . . . 90 VAL H . 16411 1 1111 . 1 1 90 90 VAL HA H 1 3.489 0.008 . 1 . . . . 90 VAL HA . 16411 1 1112 . 1 1 90 90 VAL HB H 1 2.068 0.006 . 1 . . . . 90 VAL HB . 16411 1 1113 . 1 1 90 90 VAL HG11 H 1 1.038 0.011 . . . . . . 90 VAL QG1 . 16411 1 1114 . 1 1 90 90 VAL HG12 H 1 1.038 0.011 . . . . . . 90 VAL QG1 . 16411 1 1115 . 1 1 90 90 VAL HG13 H 1 1.038 0.011 . . . . . . 90 VAL QG1 . 16411 1 1116 . 1 1 90 90 VAL HG21 H 1 0.475 0.012 . . . . . . 90 VAL QG2 . 16411 1 1117 . 1 1 90 90 VAL HG22 H 1 0.475 0.012 . . . . . . 90 VAL QG2 . 16411 1 1118 . 1 1 90 90 VAL HG23 H 1 0.475 0.012 . . . . . . 90 VAL QG2 . 16411 1 1119 . 1 1 90 90 VAL C C 13 177.354 0.000 . 1 . . . . 90 VAL C . 16411 1 1120 . 1 1 90 90 VAL CA C 13 66.525 0.103 . 1 . . . . 90 VAL CA . 16411 1 1121 . 1 1 90 90 VAL CB C 13 32.120 0.049 . 1 . . . . 90 VAL CB . 16411 1 1122 . 1 1 90 90 VAL CG1 C 13 23.681 0.023 . 2 . . . . 90 VAL CG1 . 16411 1 1123 . 1 1 90 90 VAL CG2 C 13 22.210 0.040 . 2 . . . . 90 VAL CG2 . 16411 1 1124 . 1 1 90 90 VAL N N 15 116.038 0.052 . 1 . . . . 90 VAL N . 16411 1 1125 . 1 1 91 91 LEU H H 1 9.060 0.007 . 1 . . . . 91 LEU H . 16411 1 1126 . 1 1 91 91 LEU HA H 1 3.865 0.012 . 1 . . . . 91 LEU HA . 16411 1 1127 . 1 1 91 91 LEU HB2 H 1 1.926 0.011 . 2 . . . . 91 LEU HB2 . 16411 1 1128 . 1 1 91 91 LEU HB3 H 1 1.292 0.006 . 2 . . . . 91 LEU HB3 . 16411 1 1129 . 1 1 91 91 LEU HD11 H 1 0.921 0.016 . . . . . . 91 LEU QD1 . 16411 1 1130 . 1 1 91 91 LEU HD12 H 1 0.921 0.016 . . . . . . 91 LEU QD1 . 16411 1 1131 . 1 1 91 91 LEU HD13 H 1 0.921 0.016 . . . . . . 91 LEU QD1 . 16411 1 1132 . 1 1 91 91 LEU HD21 H 1 0.850 0.012 . . . . . . 91 LEU QD2 . 16411 1 1133 . 1 1 91 91 LEU HD22 H 1 0.850 0.012 . . . . . . 91 LEU QD2 . 16411 1 1134 . 1 1 91 91 LEU HD23 H 1 0.850 0.012 . . . . . . 91 LEU QD2 . 16411 1 1135 . 1 1 91 91 LEU HG H 1 1.979 0.006 . 1 . . . . 91 LEU HG . 16411 1 1136 . 1 1 91 91 LEU C C 13 178.552 0.000 . 1 . . . . 91 LEU C . 16411 1 1137 . 1 1 91 91 LEU CA C 13 58.600 0.047 . 1 . . . . 91 LEU CA . 16411 1 1138 . 1 1 91 91 LEU CB C 13 39.760 0.049 . 1 . . . . 91 LEU CB . 16411 1 1139 . 1 1 91 91 LEU CD1 C 13 25.044 0.032 . 2 . . . . 91 LEU CD1 . 16411 1 1140 . 1 1 91 91 LEU CD2 C 13 24.248 0.016 . 2 . . . . 91 LEU CD2 . 16411 1 1141 . 1 1 91 91 LEU CG C 13 29.138 0.075 . 1 . . . . 91 LEU CG . 16411 1 1142 . 1 1 91 91 LEU N N 15 118.299 0.014 . 1 . . . . 91 LEU N . 16411 1 1143 . 1 1 92 92 GLY H H 1 8.135 0.011 . 1 . . . . 92 GLY H . 16411 1 1144 . 1 1 92 92 GLY HA2 H 1 3.889 0.005 . 2 . . . . 92 GLY HA2 . 16411 1 1145 . 1 1 92 92 GLY HA3 H 1 3.564 0.007 . 2 . . . . 92 GLY HA3 . 16411 1 1146 . 1 1 92 92 GLY C C 13 176.156 0.000 . 1 . . . . 92 GLY C . 16411 1 1147 . 1 1 92 92 GLY CA C 13 47.290 0.039 . 1 . . . . 92 GLY CA . 16411 1 1148 . 1 1 92 92 GLY N N 15 103.662 0.015 . 1 . . . . 92 GLY N . 16411 1 1149 . 1 1 93 93 ARG H H 1 7.320 0.008 . 1 . . . . 93 ARG H . 16411 1 1150 . 1 1 93 93 ARG HA H 1 4.148 0.011 . 1 . . . . 93 ARG HA . 16411 1 1151 . 1 1 93 93 ARG HB2 H 1 1.883 0.009 . 2 . . . . 93 ARG HB2 . 16411 1 1152 . 1 1 93 93 ARG HB3 H 1 1.814 0.010 . 2 . . . . 93 ARG HB3 . 16411 1 1153 . 1 1 93 93 ARG HD2 H 1 3.176 0.012 . 2 . . . . 93 ARG QD . 16411 1 1154 . 1 1 93 93 ARG HD3 H 1 3.176 0.012 . 2 . . . . 93 ARG QD . 16411 1 1155 . 1 1 93 93 ARG HG2 H 1 1.707 0.016 . 2 . . . . 93 ARG HG2 . 16411 1 1156 . 1 1 93 93 ARG HG3 H 1 1.637 0.008 . 2 . . . . 93 ARG HG3 . 16411 1 1157 . 1 1 93 93 ARG C C 13 179.984 0.000 . 1 . . . . 93 ARG C . 16411 1 1158 . 1 1 93 93 ARG CA C 13 58.194 0.022 . 1 . . . . 93 ARG CA . 16411 1 1159 . 1 1 93 93 ARG CB C 13 29.311 0.037 . 1 . . . . 93 ARG CB . 16411 1 1160 . 1 1 93 93 ARG CD C 13 42.025 0.054 . 1 . . . . 93 ARG CD . 16411 1 1161 . 1 1 93 93 ARG CG C 13 26.651 0.051 . 1 . . . . 93 ARG CG . 16411 1 1162 . 1 1 93 93 ARG N N 15 120.489 0.015 . 1 . . . . 93 ARG N . 16411 1 1163 . 1 1 94 94 ILE H H 1 8.448 0.004 . 1 . . . . 94 ILE H . 16411 1 1164 . 1 1 94 94 ILE HA H 1 3.815 0.006 . 1 . . . . 94 ILE HA . 16411 1 1165 . 1 1 94 94 ILE HB H 1 1.147 0.008 . 1 . . . . 94 ILE HB . 16411 1 1166 . 1 1 94 94 ILE HD11 H 1 0.578 0.011 . . . . . . 94 ILE QD1 . 16411 1 1167 . 1 1 94 94 ILE HD12 H 1 0.578 0.011 . . . . . . 94 ILE QD1 . 16411 1 1168 . 1 1 94 94 ILE HD13 H 1 0.578 0.011 . . . . . . 94 ILE QD1 . 16411 1 1169 . 1 1 94 94 ILE HG12 H 1 1.530 0.009 . 2 . . . . 94 ILE HG12 . 16411 1 1170 . 1 1 94 94 ILE HG13 H 1 0.774 0.005 . 2 . . . . 94 ILE HG13 . 16411 1 1171 . 1 1 94 94 ILE HG21 H 1 0.610 0.013 . . . . . . 94 ILE QG2 . 16411 1 1172 . 1 1 94 94 ILE HG22 H 1 0.610 0.013 . . . . . . 94 ILE QG2 . 16411 1 1173 . 1 1 94 94 ILE HG23 H 1 0.610 0.013 . . . . . . 94 ILE QG2 . 16411 1 1174 . 1 1 94 94 ILE C C 13 177.261 0.000 . 1 . . . . 94 ILE C . 16411 1 1175 . 1 1 94 94 ILE CA C 13 64.503 0.046 . 1 . . . . 94 ILE CA . 16411 1 1176 . 1 1 94 94 ILE CB C 13 35.640 0.043 . 1 . . . . 94 ILE CB . 16411 1 1177 . 1 1 94 94 ILE CD1 C 13 13.916 0.069 . 1 . . . . 94 ILE CD1 . 16411 1 1178 . 1 1 94 94 ILE CG1 C 13 25.221 0.068 . 1 . . . . 94 ILE CG1 . 16411 1 1179 . 1 1 94 94 ILE CG2 C 13 17.676 0.085 . 1 . . . . 94 ILE CG2 . 16411 1 1180 . 1 1 94 94 ILE N N 15 114.429 0.026 . 1 . . . . 94 ILE N . 16411 1 1181 . 1 1 95 95 ASN H H 1 7.684 0.007 . 1 . . . . 95 ASN H . 16411 1 1182 . 1 1 95 95 ASN HA H 1 4.094 0.013 . 1 . . . . 95 ASN HA . 16411 1 1183 . 1 1 95 95 ASN HB2 H 1 2.718 0.007 . 2 . . . . 95 ASN QB . 16411 1 1184 . 1 1 95 95 ASN HB3 H 1 2.718 0.007 . 2 . . . . 95 ASN QB . 16411 1 1185 . 1 1 95 95 ASN HD21 H 1 6.789 0.008 . 2 . . . . 95 ASN HD21 . 16411 1 1186 . 1 1 95 95 ASN HD22 H 1 7.684 0.003 . 2 . . . . 95 ASN HD22 . 16411 1 1187 . 1 1 95 95 ASN C C 13 176.707 0.000 . 1 . . . . 95 ASN C . 16411 1 1188 . 1 1 95 95 ASN CA C 13 56.911 0.024 . 1 . . . . 95 ASN CA . 16411 1 1189 . 1 1 95 95 ASN CB C 13 39.769 0.126 . 1 . . . . 95 ASN CB . 16411 1 1190 . 1 1 95 95 ASN N N 15 118.094 0.061 . 1 . . . . 95 ASN N . 16411 1 1191 . 1 1 95 95 ASN ND2 N 15 114.113 0.041 . 1 . . . . 95 ASN ND2 . 16411 1 1192 . 1 1 96 96 GLN H H 1 6.985 0.007 . 1 . . . . 96 GLN H . 16411 1 1193 . 1 1 96 96 GLN HA H 1 4.100 0.003 . 1 . . . . 96 GLN HA . 16411 1 1194 . 1 1 96 96 GLN HB2 H 1 2.210 0.015 . 2 . . . . 96 GLN QB . 16411 1 1195 . 1 1 96 96 GLN HB3 H 1 2.210 0.015 . 2 . . . . 96 GLN QB . 16411 1 1196 . 1 1 96 96 GLN HE21 H 1 7.444 0.002 . 2 . . . . 96 GLN HE21 . 16411 1 1197 . 1 1 96 96 GLN HE22 H 1 6.840 0.006 . 2 . . . . 96 GLN HE22 . 16411 1 1198 . 1 1 96 96 GLN HG2 H 1 2.603 0.007 . 2 . . . . 96 GLN HG2 . 16411 1 1199 . 1 1 96 96 GLN HG3 H 1 2.426 0.006 . 2 . . . . 96 GLN HG3 . 16411 1 1200 . 1 1 96 96 GLN C C 13 177.430 0.000 . 1 . . . . 96 GLN C . 16411 1 1201 . 1 1 96 96 GLN CA C 13 57.577 0.165 . 1 . . . . 96 GLN CA . 16411 1 1202 . 1 1 96 96 GLN CB C 13 28.903 0.060 . 1 . . . . 96 GLN CB . 16411 1 1203 . 1 1 96 96 GLN CG C 13 33.933 0.039 . 1 . . . . 96 GLN CG . 16411 1 1204 . 1 1 96 96 GLN N N 15 112.378 0.043 . 1 . . . . 96 GLN N . 16411 1 1205 . 1 1 96 96 GLN NE2 N 15 112.084 0.029 . 1 . . . . 96 GLN NE2 . 16411 1 1206 . 1 1 97 97 GLU H H 1 7.281 0.006 . 1 . . . . 97 GLU H . 16411 1 1207 . 1 1 97 97 GLU HA H 1 4.252 0.005 . 1 . . . . 97 GLU HA . 16411 1 1208 . 1 1 97 97 GLU HB2 H 1 2.069 0.014 . 2 . . . . 97 GLU HB2 . 16411 1 1209 . 1 1 97 97 GLU HB3 H 1 2.018 0.004 . 2 . . . . 97 GLU HB3 . 16411 1 1210 . 1 1 97 97 GLU HG2 H 1 2.320 0.011 . 2 . . . . 97 GLU HG2 . 16411 1 1211 . 1 1 97 97 GLU HG3 H 1 2.233 0.005 . 2 . . . . 97 GLU HG3 . 16411 1 1212 . 1 1 97 97 GLU C C 13 177.300 0.000 . 1 . . . . 97 GLU C . 16411 1 1213 . 1 1 97 97 GLU CA C 13 56.810 0.027 . 1 . . . . 97 GLU CA . 16411 1 1214 . 1 1 97 97 GLU CB C 13 31.056 0.059 . 1 . . . . 97 GLU CB . 16411 1 1215 . 1 1 97 97 GLU CG C 13 36.055 0.053 . 1 . . . . 97 GLU CG . 16411 1 1216 . 1 1 97 97 GLU N N 15 116.888 0.027 . 1 . . . . 97 GLU N . 16411 1 1217 . 1 1 98 98 PHE H H 1 7.988 0.006 . 1 . . . . 98 PHE H . 16411 1 1218 . 1 1 98 98 PHE HA H 1 4.981 0.006 . 1 . . . . 98 PHE HA . 16411 1 1219 . 1 1 98 98 PHE HB2 H 1 3.347 0.010 . 2 . . . . 98 PHE HB2 . 16411 1 1220 . 1 1 98 98 PHE HB3 H 1 3.166 0.013 . 2 . . . . 98 PHE HB3 . 16411 1 1221 . 1 1 98 98 PHE HD1 H 1 6.963 0.006 . 3 . . . . 98 PHE QD . 16411 1 1222 . 1 1 98 98 PHE HD2 H 1 6.963 0.006 . 3 . . . . 98 PHE QD . 16411 1 1223 . 1 1 98 98 PHE HE1 H 1 7.126 0.009 . 3 . . . . 98 PHE QE . 16411 1 1224 . 1 1 98 98 PHE HE2 H 1 7.126 0.009 . 3 . . . . 98 PHE QE . 16411 1 1225 . 1 1 98 98 PHE HZ H 1 6.737 0.008 . 1 . . . . 98 PHE HZ . 16411 1 1226 . 1 1 98 98 PHE CA C 13 52.526 0.088 . 1 . . . . 98 PHE CA . 16411 1 1227 . 1 1 98 98 PHE CB C 13 37.893 0.026 . 1 . . . . 98 PHE CB . 16411 1 1228 . 1 1 98 98 PHE N N 15 120.816 0.046 . 1 . . . . 98 PHE N . 16411 1 1229 . 1 1 99 99 PRO HA H 1 4.827 0.008 . 1 . . . . 99 PRO HA . 16411 1 1230 . 1 1 99 99 PRO HB2 H 1 2.499 0.007 . 2 . . . . 99 PRO HB2 . 16411 1 1231 . 1 1 99 99 PRO HB3 H 1 2.294 0.011 . 2 . . . . 99 PRO HB3 . 16411 1 1232 . 1 1 99 99 PRO HD2 H 1 4.110 0.013 . 2 . . . . 99 PRO HD2 . 16411 1 1233 . 1 1 99 99 PRO HD3 H 1 3.466 0.008 . 2 . . . . 99 PRO HD3 . 16411 1 1234 . 1 1 99 99 PRO HG2 H 1 2.223 0.008 . 2 . . . . 99 PRO HG2 . 16411 1 1235 . 1 1 99 99 PRO HG3 H 1 2.019 0.011 . 2 . . . . 99 PRO HG3 . 16411 1 1236 . 1 1 99 99 PRO CA C 13 61.746 0.000 . 1 . . . . 99 PRO CA . 16411 1 1237 . 1 1 99 99 PRO CB C 13 32.548 0.050 . 1 . . . . 99 PRO CB . 16411 1 1238 . 1 1 99 99 PRO CD C 13 50.534 0.075 . 1 . . . . 99 PRO CD . 16411 1 1239 . 1 1 99 99 PRO CG C 13 27.540 0.120 . 1 . . . . 99 PRO CG . 16411 1 1240 . 1 1 100 100 ARG HA H 1 3.852 0.003 . 1 . . . . 100 ARG HA . 16411 1 1241 . 1 1 100 100 ARG HB2 H 1 2.032 0.016 . 2 . . . . 100 ARG HB2 . 16411 1 1242 . 1 1 100 100 ARG HB3 H 1 1.923 0.012 . 2 . . . . 100 ARG HB3 . 16411 1 1243 . 1 1 100 100 ARG HD2 H 1 3.256 0.009 . 2 . . . . 100 ARG QD . 16411 1 1244 . 1 1 100 100 ARG HD3 H 1 3.256 0.009 . 2 . . . . 100 ARG QD . 16411 1 1245 . 1 1 100 100 ARG HG2 H 1 1.804 0.010 . 2 . . . . 100 ARG HG2 . 16411 1 1246 . 1 1 100 100 ARG HG3 H 1 1.665 0.010 . 2 . . . . 100 ARG HG3 . 16411 1 1247 . 1 1 100 100 ARG C C 13 178.007 0.000 . 1 . . . . 100 ARG C . 16411 1 1248 . 1 1 100 100 ARG CA C 13 60.748 0.106 . 1 . . . . 100 ARG CA . 16411 1 1249 . 1 1 100 100 ARG CB C 13 30.445 0.136 . 1 . . . . 100 ARG CB . 16411 1 1250 . 1 1 100 100 ARG CD C 13 43.357 0.151 . 1 . . . . 100 ARG CD . 16411 1 1251 . 1 1 100 100 ARG CG C 13 27.202 0.097 . 1 . . . . 100 ARG CG . 16411 1 1252 . 1 1 101 101 ASP H H 1 9.159 0.005 . 1 . . . . 101 ASP H . 16411 1 1253 . 1 1 101 101 ASP HA H 1 4.387 0.009 . 1 . . . . 101 ASP HA . 16411 1 1254 . 1 1 101 101 ASP HB2 H 1 2.695 0.005 . 2 . . . . 101 ASP HB2 . 16411 1 1255 . 1 1 101 101 ASP HB3 H 1 2.603 0.005 . 2 . . . . 101 ASP HB3 . 16411 1 1256 . 1 1 101 101 ASP C C 13 178.728 0.000 . 1 . . . . 101 ASP C . 16411 1 1257 . 1 1 101 101 ASP CA C 13 57.019 0.031 . 1 . . . . 101 ASP CA . 16411 1 1258 . 1 1 101 101 ASP CB C 13 39.472 0.070 . 1 . . . . 101 ASP CB . 16411 1 1259 . 1 1 101 101 ASP N N 15 116.308 0.019 . 1 . . . . 101 ASP N . 16411 1 1260 . 1 1 102 102 LEU H H 1 7.347 0.004 . 1 . . . . 102 LEU H . 16411 1 1261 . 1 1 102 102 LEU HA H 1 4.152 0.010 . 1 . . . . 102 LEU HA . 16411 1 1262 . 1 1 102 102 LEU HB2 H 1 1.236 0.005 . 2 . . . . 102 LEU HB2 . 16411 1 1263 . 1 1 102 102 LEU HB3 H 1 0.948 0.009 . 2 . . . . 102 LEU HB3 . 16411 1 1264 . 1 1 102 102 LEU HD11 H 1 0.495 0.012 . . . . . . 102 LEU QD1 . 16411 1 1265 . 1 1 102 102 LEU HD12 H 1 0.495 0.012 . . . . . . 102 LEU QD1 . 16411 1 1266 . 1 1 102 102 LEU HD13 H 1 0.495 0.012 . . . . . . 102 LEU QD1 . 16411 1 1267 . 1 1 102 102 LEU HD21 H 1 0.456 0.012 . . . . . . 102 LEU QD2 . 16411 1 1268 . 1 1 102 102 LEU HD22 H 1 0.456 0.012 . . . . . . 102 LEU QD2 . 16411 1 1269 . 1 1 102 102 LEU HD23 H 1 0.456 0.012 . . . . . . 102 LEU QD2 . 16411 1 1270 . 1 1 102 102 LEU HG H 1 1.483 0.013 . 1 . . . . 102 LEU HG . 16411 1 1271 . 1 1 102 102 LEU C C 13 179.315 0.000 . 1 . . . . 102 LEU C . 16411 1 1272 . 1 1 102 102 LEU CA C 13 57.136 0.116 . 1 . . . . 102 LEU CA . 16411 1 1273 . 1 1 102 102 LEU CB C 13 40.334 0.046 . 1 . . . . 102 LEU CB . 16411 1 1274 . 1 1 102 102 LEU CD1 C 13 24.488 0.059 . 2 . . . . 102 LEU CD1 . 16411 1 1275 . 1 1 102 102 LEU CD2 C 13 23.614 0.079 . 2 . . . . 102 LEU CD2 . 16411 1 1276 . 1 1 102 102 LEU CG C 13 28.399 0.019 . 1 . . . . 102 LEU CG . 16411 1 1277 . 1 1 102 102 LEU N N 15 120.283 0.034 . 1 . . . . 102 LEU N . 16411 1 1278 . 1 1 103 103 LYS H H 1 8.616 0.008 . 1 . . . . 103 LYS H . 16411 1 1279 . 1 1 103 103 LYS HA H 1 4.162 0.007 . 1 . . . . 103 LYS HA . 16411 1 1280 . 1 1 103 103 LYS HB2 H 1 2.070 0.013 . 2 . . . . 103 LYS QB . 16411 1 1281 . 1 1 103 103 LYS HB3 H 1 2.070 0.013 . 2 . . . . 103 LYS QB . 16411 1 1282 . 1 1 103 103 LYS HE2 H 1 3.099 0.016 . 2 . . . . 103 LYS HE2 . 16411 1 1283 . 1 1 103 103 LYS HE3 H 1 3.095 0.014 . 2 . . . . 103 LYS HE3 . 16411 1 1284 . 1 1 103 103 LYS HG2 H 1 1.715 0.014 . 2 . . . . 103 LYS HG2 . 16411 1 1285 . 1 1 103 103 LYS HG3 H 1 1.666 0.007 . 2 . . . . 103 LYS HG3 . 16411 1 1286 . 1 1 103 103 LYS C C 13 179.861 0.000 . 1 . . . . 103 LYS C . 16411 1 1287 . 1 1 103 103 LYS CA C 13 61.191 0.061 . 1 . . . . 103 LYS CA . 16411 1 1288 . 1 1 103 103 LYS CB C 13 33.231 0.140 . 1 . . . . 103 LYS CB . 16411 1 1289 . 1 1 103 103 LYS CE C 13 42.401 0.013 . 1 . . . . 103 LYS CE . 16411 1 1290 . 1 1 103 103 LYS CG C 13 25.558 0.007 . 1 . . . . 103 LYS CG . 16411 1 1291 . 1 1 103 103 LYS N N 15 122.408 0.031 . 1 . . . . 103 LYS N . 16411 1 1292 . 1 1 104 104 LYS H H 1 7.618 0.006 . 1 . . . . 104 LYS H . 16411 1 1293 . 1 1 104 104 LYS HA H 1 4.181 0.014 . 1 . . . . 104 LYS HA . 16411 1 1294 . 1 1 104 104 LYS HB2 H 1 1.979 0.012 . 2 . . . . 104 LYS QB . 16411 1 1295 . 1 1 104 104 LYS HB3 H 1 1.979 0.012 . 2 . . . . 104 LYS QB . 16411 1 1296 . 1 1 104 104 LYS HD2 H 1 1.743 0.011 . 2 . . . . 104 LYS QD . 16411 1 1297 . 1 1 104 104 LYS HD3 H 1 1.743 0.011 . 2 . . . . 104 LYS QD . 16411 1 1298 . 1 1 104 104 LYS HE2 H 1 2.997 0.000 . 2 . . . . 104 LYS QE . 16411 1 1299 . 1 1 104 104 LYS HE3 H 1 2.997 0.000 . 2 . . . . 104 LYS QE . 16411 1 1300 . 1 1 104 104 LYS HG2 H 1 1.507 0.006 . 2 . . . . 104 LYS QG . 16411 1 1301 . 1 1 104 104 LYS HG3 H 1 1.507 0.006 . 2 . . . . 104 LYS QG . 16411 1 1302 . 1 1 104 104 LYS C C 13 179.686 0.000 . 1 . . . . 104 LYS C . 16411 1 1303 . 1 1 104 104 LYS CA C 13 59.399 0.035 . 1 . . . . 104 LYS CA . 16411 1 1304 . 1 1 104 104 LYS CB C 13 32.123 0.040 . 1 . . . . 104 LYS CB . 16411 1 1305 . 1 1 104 104 LYS CD C 13 29.309 0.013 . 1 . . . . 104 LYS CD . 16411 1 1306 . 1 1 104 104 LYS CE C 13 42.196 0.000 . 1 . . . . 104 LYS CE . 16411 1 1307 . 1 1 104 104 LYS CG C 13 25.116 0.012 . 1 . . . . 104 LYS CG . 16411 1 1308 . 1 1 104 104 LYS N N 15 117.837 0.039 . 1 . . . . 104 LYS N . 16411 1 1309 . 1 1 105 105 LYS H H 1 7.175 0.005 . 1 . . . . 105 LYS H . 16411 1 1310 . 1 1 105 105 LYS HA H 1 4.162 0.005 . 1 . . . . 105 LYS HA . 16411 1 1311 . 1 1 105 105 LYS HB2 H 1 2.065 0.014 . 2 . . . . 105 LYS QB . 16411 1 1312 . 1 1 105 105 LYS HB3 H 1 2.065 0.014 . 2 . . . . 105 LYS QB . 16411 1 1313 . 1 1 105 105 LYS HD2 H 1 1.850 0.007 . 2 . . . . 105 LYS QD . 16411 1 1314 . 1 1 105 105 LYS HD3 H 1 1.850 0.007 . 2 . . . . 105 LYS QD . 16411 1 1315 . 1 1 105 105 LYS HE2 H 1 3.008 0.015 . 2 . . . . 105 LYS HE2 . 16411 1 1316 . 1 1 105 105 LYS HE3 H 1 2.994 0.002 . 2 . . . . 105 LYS HE3 . 16411 1 1317 . 1 1 105 105 LYS HG2 H 1 1.722 0.006 . 2 . . . . 105 LYS HG2 . 16411 1 1318 . 1 1 105 105 LYS HG3 H 1 1.611 0.014 . 2 . . . . 105 LYS HG3 . 16411 1 1319 . 1 1 105 105 LYS C C 13 179.266 0.000 . 1 . . . . 105 LYS C . 16411 1 1320 . 1 1 105 105 LYS CA C 13 59.441 0.082 . 1 . . . . 105 LYS CA . 16411 1 1321 . 1 1 105 105 LYS CB C 13 32.459 0.170 . 1 . . . . 105 LYS CB . 16411 1 1322 . 1 1 105 105 LYS CD C 13 29.341 0.028 . 1 . . . . 105 LYS CD . 16411 1 1323 . 1 1 105 105 LYS CE C 13 42.301 0.015 . 1 . . . . 105 LYS CE . 16411 1 1324 . 1 1 105 105 LYS CG C 13 26.011 0.149 . 1 . . . . 105 LYS CG . 16411 1 1325 . 1 1 105 105 LYS N N 15 119.303 0.032 . 1 . . . . 105 LYS N . 16411 1 1326 . 1 1 106 106 LEU H H 1 8.303 0.008 . 1 . . . . 106 LEU H . 16411 1 1327 . 1 1 106 106 LEU HA H 1 4.031 0.012 . 1 . . . . 106 LEU HA . 16411 1 1328 . 1 1 106 106 LEU HB2 H 1 1.726 0.006 . 2 . . . . 106 LEU HB2 . 16411 1 1329 . 1 1 106 106 LEU HB3 H 1 2.257 0.005 . 2 . . . . 106 LEU HB3 . 16411 1 1330 . 1 1 106 106 LEU HD11 H 1 0.899 0.015 . . . . . . 106 LEU QQD . 16411 1 1331 . 1 1 106 106 LEU HD12 H 1 0.899 0.015 . . . . . . 106 LEU QQD . 16411 1 1332 . 1 1 106 106 LEU HD13 H 1 0.899 0.015 . . . . . . 106 LEU QQD . 16411 1 1333 . 1 1 106 106 LEU HD21 H 1 0.899 0.015 . . . . . . 106 LEU QQD . 16411 1 1334 . 1 1 106 106 LEU HD22 H 1 0.899 0.015 . . . . . . 106 LEU QQD . 16411 1 1335 . 1 1 106 106 LEU HD23 H 1 0.899 0.015 . . . . . . 106 LEU QQD . 16411 1 1336 . 1 1 106 106 LEU HG H 1 1.643 0.004 . 1 . . . . 106 LEU HG . 16411 1 1337 . 1 1 106 106 LEU C C 13 178.275 0.000 . 1 . . . . 106 LEU C . 16411 1 1338 . 1 1 106 106 LEU CA C 13 59.235 0.126 . 1 . . . . 106 LEU CA . 16411 1 1339 . 1 1 106 106 LEU CB C 13 41.521 0.026 . 1 . . . . 106 LEU CB . 16411 1 1340 . 1 1 106 106 LEU CD1 C 13 25.776 0.133 . 2 . . . . 106 LEU CD1 . 16411 1 1341 . 1 1 106 106 LEU CG C 13 27.529 0.079 . 1 . . . . 106 LEU CG . 16411 1 1342 . 1 1 106 106 LEU N N 15 121.568 0.039 . 1 . . . . 106 LEU N . 16411 1 1343 . 1 1 107 107 SER H H 1 8.558 0.010 . 1 . . . . 107 SER H . 16411 1 1344 . 1 1 107 107 SER HA H 1 4.014 0.004 . 1 . . . . 107 SER HA . 16411 1 1345 . 1 1 107 107 SER HB2 H 1 4.017 0.003 . 2 . . . . 107 SER QB . 16411 1 1346 . 1 1 107 107 SER HB3 H 1 4.017 0.003 . 2 . . . . 107 SER QB . 16411 1 1347 . 1 1 107 107 SER C C 13 176.386 0.000 . 1 . . . . 107 SER C . 16411 1 1348 . 1 1 107 107 SER CA C 13 62.488 0.176 . 1 . . . . 107 SER CA . 16411 1 1349 . 1 1 107 107 SER CB C 13 62.349 0.000 . 1 . . . . 107 SER CB . 16411 1 1350 . 1 1 107 107 SER N N 15 115.355 0.102 . 1 . . . . 107 SER N . 16411 1 1351 . 1 1 108 108 ARG H H 1 7.617 0.004 . 1 . . . . 108 ARG H . 16411 1 1352 . 1 1 108 108 ARG HA H 1 4.167 0.006 . 1 . . . . 108 ARG HA . 16411 1 1353 . 1 1 108 108 ARG HB2 H 1 2.061 0.007 . 2 . . . . 108 ARG QB . 16411 1 1354 . 1 1 108 108 ARG HB3 H 1 2.061 0.007 . 2 . . . . 108 ARG QB . 16411 1 1355 . 1 1 108 108 ARG HD2 H 1 3.260 0.005 . 2 . . . . 108 ARG QD . 16411 1 1356 . 1 1 108 108 ARG HD3 H 1 3.260 0.005 . 2 . . . . 108 ARG QD . 16411 1 1357 . 1 1 108 108 ARG HG2 H 1 1.827 0.010 . 2 . . . . 108 ARG HG2 . 16411 1 1358 . 1 1 108 108 ARG HG3 H 1 1.720 0.008 . 2 . . . . 108 ARG HG3 . 16411 1 1359 . 1 1 108 108 ARG C C 13 178.724 0.000 . 1 . . . . 108 ARG C . 16411 1 1360 . 1 1 108 108 ARG CA C 13 59.434 0.069 . 1 . . . . 108 ARG CA . 16411 1 1361 . 1 1 108 108 ARG CB C 13 29.660 0.061 . 1 . . . . 108 ARG CB . 16411 1 1362 . 1 1 108 108 ARG CD C 13 43.291 0.055 . 1 . . . . 108 ARG CD . 16411 1 1363 . 1 1 108 108 ARG CG C 13 27.304 0.038 . 1 . . . . 108 ARG CG . 16411 1 1364 . 1 1 108 108 ARG N N 15 121.026 0.022 . 1 . . . . 108 ARG N . 16411 1 1365 . 1 1 109 109 VAL H H 1 7.667 0.003 . 1 . . . . 109 VAL H . 16411 1 1366 . 1 1 109 109 VAL HA H 1 3.658 0.008 . 1 . . . . 109 VAL HA . 16411 1 1367 . 1 1 109 109 VAL HB H 1 2.448 0.006 . 1 . . . . 109 VAL HB . 16411 1 1368 . 1 1 109 109 VAL HG11 H 1 1.214 0.006 . . . . . . 109 VAL QG1 . 16411 1 1369 . 1 1 109 109 VAL HG12 H 1 1.214 0.006 . . . . . . 109 VAL QG1 . 16411 1 1370 . 1 1 109 109 VAL HG13 H 1 1.214 0.006 . . . . . . 109 VAL QG1 . 16411 1 1371 . 1 1 109 109 VAL HG21 H 1 0.905 0.008 . . . . . . 109 VAL QG2 . 16411 1 1372 . 1 1 109 109 VAL HG22 H 1 0.905 0.008 . . . . . . 109 VAL QG2 . 16411 1 1373 . 1 1 109 109 VAL HG23 H 1 0.905 0.008 . . . . . . 109 VAL QG2 . 16411 1 1374 . 1 1 109 109 VAL C C 13 178.480 0.000 . 1 . . . . 109 VAL C . 16411 1 1375 . 1 1 109 109 VAL CA C 13 66.544 0.035 . 1 . . . . 109 VAL CA . 16411 1 1376 . 1 1 109 109 VAL CB C 13 31.484 0.059 . 1 . . . . 109 VAL CB . 16411 1 1377 . 1 1 109 109 VAL CG1 C 13 22.980 0.041 . 2 . . . . 109 VAL CG1 . 16411 1 1378 . 1 1 109 109 VAL CG2 C 13 20.602 0.066 . 2 . . . . 109 VAL CG2 . 16411 1 1379 . 1 1 109 109 VAL N N 15 119.530 0.052 . 1 . . . . 109 VAL N . 16411 1 1380 . 1 1 110 110 VAL H H 1 8.388 0.009 . 1 . . . . 110 VAL H . 16411 1 1381 . 1 1 110 110 VAL HA H 1 3.465 0.004 . 1 . . . . 110 VAL HA . 16411 1 1382 . 1 1 110 110 VAL HB H 1 2.226 0.009 . 1 . . . . 110 VAL HB . 16411 1 1383 . 1 1 110 110 VAL HG11 H 1 1.031 0.018 . . . . . . 110 VAL QG1 . 16411 1 1384 . 1 1 110 110 VAL HG12 H 1 1.031 0.018 . . . . . . 110 VAL QG1 . 16411 1 1385 . 1 1 110 110 VAL HG13 H 1 1.031 0.018 . . . . . . 110 VAL QG1 . 16411 1 1386 . 1 1 110 110 VAL HG21 H 1 0.924 0.010 . . . . . . 110 VAL QG2 . 16411 1 1387 . 1 1 110 110 VAL HG22 H 1 0.924 0.010 . . . . . . 110 VAL QG2 . 16411 1 1388 . 1 1 110 110 VAL HG23 H 1 0.924 0.010 . . . . . . 110 VAL QG2 . 16411 1 1389 . 1 1 110 110 VAL C C 13 177.130 0.000 . 1 . . . . 110 VAL C . 16411 1 1390 . 1 1 110 110 VAL CA C 13 67.686 0.078 . 1 . . . . 110 VAL CA . 16411 1 1391 . 1 1 110 110 VAL CB C 13 31.229 0.077 . 1 . . . . 110 VAL CB . 16411 1 1392 . 1 1 110 110 VAL CG1 C 13 24.279 0.010 . 2 . . . . 110 VAL CG1 . 16411 1 1393 . 1 1 110 110 VAL CG2 C 13 21.281 0.120 . 2 . . . . 110 VAL CG2 . 16411 1 1394 . 1 1 110 110 VAL N N 15 119.477 0.042 . 1 . . . . 110 VAL N . 16411 1 1395 . 1 1 111 111 ASN H H 1 8.213 0.008 . 1 . . . . 111 ASN H . 16411 1 1396 . 1 1 111 111 ASN HA H 1 4.452 0.008 . 1 . . . . 111 ASN HA . 16411 1 1397 . 1 1 111 111 ASN HB2 H 1 2.939 0.011 . 2 . . . . 111 ASN HB2 . 16411 1 1398 . 1 1 111 111 ASN HB3 H 1 2.876 0.012 . 2 . . . . 111 ASN HB3 . 16411 1 1399 . 1 1 111 111 ASN HD21 H 1 7.527 0.005 . 2 . . . . 111 ASN HD21 . 16411 1 1400 . 1 1 111 111 ASN HD22 H 1 6.969 0.002 . 2 . . . . 111 ASN HD22 . 16411 1 1401 . 1 1 111 111 ASN C C 13 177.972 0.000 . 1 . . . . 111 ASN C . 16411 1 1402 . 1 1 111 111 ASN CA C 13 56.748 0.124 . 1 . . . . 111 ASN CA . 16411 1 1403 . 1 1 111 111 ASN CB C 13 38.224 0.024 . 1 . . . . 111 ASN CB . 16411 1 1404 . 1 1 111 111 ASN N N 15 117.453 0.045 . 1 . . . . 111 ASN N . 16411 1 1405 . 1 1 111 111 ASN ND2 N 15 112.495 0.030 . 1 . . . . 111 ASN ND2 . 16411 1 1406 . 1 1 112 112 ILE H H 1 7.887 0.004 . 1 . . . . 112 ILE H . 16411 1 1407 . 1 1 112 112 ILE HA H 1 3.870 0.009 . 1 . . . . 112 ILE HA . 16411 1 1408 . 1 1 112 112 ILE HB H 1 2.017 0.011 . 1 . . . . 112 ILE HB . 16411 1 1409 . 1 1 112 112 ILE HD11 H 1 0.823 0.007 . . . . . . 112 ILE QD1 . 16411 1 1410 . 1 1 112 112 ILE HD12 H 1 0.823 0.007 . . . . . . 112 ILE QD1 . 16411 1 1411 . 1 1 112 112 ILE HD13 H 1 0.823 0.007 . . . . . . 112 ILE QD1 . 16411 1 1412 . 1 1 112 112 ILE HG12 H 1 1.143 0.008 . 2 . . . . 112 ILE HG12 . 16411 1 1413 . 1 1 112 112 ILE HG13 H 1 1.710 0.014 . 2 . . . . 112 ILE HG13 . 16411 1 1414 . 1 1 112 112 ILE HG21 H 1 0.879 0.012 . . . . . . 112 ILE QG2 . 16411 1 1415 . 1 1 112 112 ILE HG22 H 1 0.879 0.012 . . . . . . 112 ILE QG2 . 16411 1 1416 . 1 1 112 112 ILE HG23 H 1 0.879 0.012 . . . . . . 112 ILE QG2 . 16411 1 1417 . 1 1 112 112 ILE C C 13 177.735 0.000 . 1 . . . . 112 ILE C . 16411 1 1418 . 1 1 112 112 ILE CA C 13 64.763 0.032 . 1 . . . . 112 ILE CA . 16411 1 1419 . 1 1 112 112 ILE CB C 13 37.716 0.088 . 1 . . . . 112 ILE CB . 16411 1 1420 . 1 1 112 112 ILE CD1 C 13 13.303 0.063 . 1 . . . . 112 ILE CD1 . 16411 1 1421 . 1 1 112 112 ILE CG1 C 13 29.167 0.108 . 1 . . . . 112 ILE CG1 . 16411 1 1422 . 1 1 112 112 ILE CG2 C 13 17.528 0.055 . 1 . . . . 112 ILE CG2 . 16411 1 1423 . 1 1 112 112 ILE N N 15 122.100 0.038 . 1 . . . . 112 ILE N . 16411 1 1424 . 1 1 113 113 LEU H H 1 8.244 0.009 . 1 . . . . 113 LEU H . 16411 1 1425 . 1 1 113 113 LEU HA H 1 3.746 0.005 . 1 . . . . 113 LEU HA . 16411 1 1426 . 1 1 113 113 LEU HB2 H 1 2.172 0.010 . 2 . . . . 113 LEU HB2 . 16411 1 1427 . 1 1 113 113 LEU HB3 H 1 1.100 0.010 . 2 . . . . 113 LEU HB3 . 16411 1 1428 . 1 1 113 113 LEU HD11 H 1 0.816 0.011 . . . . . . 113 LEU QD1 . 16411 1 1429 . 1 1 113 113 LEU HD12 H 1 0.816 0.011 . . . . . . 113 LEU QD1 . 16411 1 1430 . 1 1 113 113 LEU HD13 H 1 0.816 0.011 . . . . . . 113 LEU QD1 . 16411 1 1431 . 1 1 113 113 LEU HD21 H 1 0.673 0.006 . . . . . . 113 LEU QD2 . 16411 1 1432 . 1 1 113 113 LEU HD22 H 1 0.673 0.006 . . . . . . 113 LEU QD2 . 16411 1 1433 . 1 1 113 113 LEU HD23 H 1 0.673 0.006 . . . . . . 113 LEU QD2 . 16411 1 1434 . 1 1 113 113 LEU HG H 1 2.061 0.008 . 1 . . . . 113 LEU HG . 16411 1 1435 . 1 1 113 113 LEU C C 13 180.421 0.000 . 1 . . . . 113 LEU C . 16411 1 1436 . 1 1 113 113 LEU CA C 13 58.080 0.052 . 1 . . . . 113 LEU CA . 16411 1 1437 . 1 1 113 113 LEU CB C 13 41.684 0.053 . 1 . . . . 113 LEU CB . 16411 1 1438 . 1 1 113 113 LEU CD1 C 13 25.789 0.089 . 2 . . . . 113 LEU CD1 . 16411 1 1439 . 1 1 113 113 LEU CD2 C 13 23.446 0.155 . 2 . . . . 113 LEU CD2 . 16411 1 1440 . 1 1 113 113 LEU CG C 13 25.953 0.049 . 1 . . . . 113 LEU CG . 16411 1 1441 . 1 1 113 113 LEU N N 15 120.259 0.039 . 1 . . . . 113 LEU N . 16411 1 1442 . 1 1 114 114 LYS H H 1 8.286 0.004 . 1 . . . . 114 LYS H . 16411 1 1443 . 1 1 114 114 LYS HA H 1 4.047 0.009 . 1 . . . . 114 LYS HA . 16411 1 1444 . 1 1 114 114 LYS HB2 H 1 2.043 0.010 . 2 . . . . 114 LYS HB2 . 16411 1 1445 . 1 1 114 114 LYS HB3 H 1 1.894 0.005 . 2 . . . . 114 LYS HB3 . 16411 1 1446 . 1 1 114 114 LYS HG2 H 1 1.677 0.011 . 2 . . . . 114 LYS HG2 . 16411 1 1447 . 1 1 114 114 LYS HG3 H 1 1.367 0.003 . 2 . . . . 114 LYS HG3 . 16411 1 1448 . 1 1 114 114 LYS C C 13 179.925 0.000 . 1 . . . . 114 LYS C . 16411 1 1449 . 1 1 114 114 LYS CA C 13 59.659 0.000 . 1 . . . . 114 LYS CA . 16411 1 1450 . 1 1 114 114 LYS CB C 13 32.931 0.077 . 1 . . . . 114 LYS CB . 16411 1 1451 . 1 1 114 114 LYS CG C 13 25.014 0.024 . 1 . . . . 114 LYS CG . 16411 1 1452 . 1 1 114 114 LYS N N 15 118.403 0.044 . 1 . . . . 114 LYS N . 16411 1 1453 . 1 1 115 115 GLU H H 1 8.581 0.003 . 1 . . . . 115 GLU H . 16411 1 1454 . 1 1 115 115 GLU HA H 1 4.028 0.011 . 1 . . . . 115 GLU HA . 16411 1 1455 . 1 1 115 115 GLU HB2 H 1 2.176 0.007 . 2 . . . . 115 GLU HB2 . 16411 1 1456 . 1 1 115 115 GLU HB3 H 1 2.095 0.012 . 2 . . . . 115 GLU HB3 . 16411 1 1457 . 1 1 115 115 GLU HG2 H 1 2.393 0.006 . 2 . . . . 115 GLU HG2 . 16411 1 1458 . 1 1 115 115 GLU HG3 H 1 2.300 0.000 . 2 . . . . 115 GLU HG3 . 16411 1 1459 . 1 1 115 115 GLU C C 13 178.448 0.000 . 1 . . . . 115 GLU C . 16411 1 1460 . 1 1 115 115 GLU CA C 13 59.027 0.000 . 1 . . . . 115 GLU CA . 16411 1 1461 . 1 1 115 115 GLU CB C 13 29.945 0.035 . 1 . . . . 115 GLU CB . 16411 1 1462 . 1 1 115 115 GLU CG C 13 36.275 0.011 . 1 . . . . 115 GLU CG . 16411 1 1463 . 1 1 115 115 GLU N N 15 121.273 0.037 . 1 . . . . 115 GLU N . 16411 1 1464 . 1 1 116 116 ARG H H 1 7.920 0.007 . 1 . . . . 116 ARG H . 16411 1 1465 . 1 1 116 116 ARG HA H 1 4.298 0.007 . 1 . . . . 116 ARG HA . 16411 1 1466 . 1 1 116 116 ARG HB2 H 1 1.989 0.017 . 2 . . . . 116 ARG HB2 . 16411 1 1467 . 1 1 116 116 ARG HB3 H 1 1.595 0.011 . 2 . . . . 116 ARG HB3 . 16411 1 1468 . 1 1 116 116 ARG HD2 H 1 3.074 0.006 . 2 . . . . 116 ARG HD2 . 16411 1 1469 . 1 1 116 116 ARG HD3 H 1 2.951 0.012 . 2 . . . . 116 ARG HD3 . 16411 1 1470 . 1 1 116 116 ARG HG2 H 1 1.659 0.008 . 2 . . . . 116 ARG HG2 . 16411 1 1471 . 1 1 116 116 ARG HG3 H 1 1.766 0.008 . 2 . . . . 116 ARG HG3 . 16411 1 1472 . 1 1 116 116 ARG C C 13 175.220 0.000 . 1 . . . . 116 ARG C . 16411 1 1473 . 1 1 116 116 ARG CA C 13 55.495 0.121 . 1 . . . . 116 ARG CA . 16411 1 1474 . 1 1 116 116 ARG CB C 13 29.699 0.070 . 1 . . . . 116 ARG CB . 16411 1 1475 . 1 1 116 116 ARG CD C 13 43.184 0.085 . 1 . . . . 116 ARG CD . 16411 1 1476 . 1 1 116 116 ARG CG C 13 27.741 0.013 . 1 . . . . 116 ARG CG . 16411 1 1477 . 1 1 116 116 ARG N N 15 113.888 0.028 . 1 . . . . 116 ARG N . 16411 1 1478 . 1 1 117 117 ASN H H 1 7.874 0.004 . 1 . . . . 117 ASN H . 16411 1 1479 . 1 1 117 117 ASN HA H 1 4.467 0.007 . 1 . . . . 117 ASN HA . 16411 1 1480 . 1 1 117 117 ASN HB2 H 1 2.949 0.004 . 2 . . . . 117 ASN HB2 . 16411 1 1481 . 1 1 117 117 ASN HB3 H 1 2.668 0.004 . 2 . . . . 117 ASN HB3 . 16411 1 1482 . 1 1 117 117 ASN HD21 H 1 7.485 0.009 . 2 . . . . 117 ASN HD21 . 16411 1 1483 . 1 1 117 117 ASN HD22 H 1 6.808 0.002 . 2 . . . . 117 ASN HD22 . 16411 1 1484 . 1 1 117 117 ASN C C 13 174.587 0.000 . 1 . . . . 117 ASN C . 16411 1 1485 . 1 1 117 117 ASN CA C 13 54.164 0.052 . 1 . . . . 117 ASN CA . 16411 1 1486 . 1 1 117 117 ASN CB C 13 36.833 0.024 . 1 . . . . 117 ASN CB . 16411 1 1487 . 1 1 117 117 ASN N N 15 115.761 0.040 . 1 . . . . 117 ASN N . 16411 1 1488 . 1 1 117 117 ASN ND2 N 15 112.950 0.022 . 1 . . . . 117 ASN ND2 . 16411 1 1489 . 1 1 118 118 ILE H H 1 7.594 0.004 . 1 . . . . 118 ILE H . 16411 1 1490 . 1 1 118 118 ILE HA H 1 3.458 0.003 . 1 . . . . 118 ILE HA . 16411 1 1491 . 1 1 118 118 ILE HB H 1 1.256 0.013 . 1 . . . . 118 ILE HB . 16411 1 1492 . 1 1 118 118 ILE HD11 H 1 0.496 0.005 . . . . . . 118 ILE QD1 . 16411 1 1493 . 1 1 118 118 ILE HD12 H 1 0.496 0.005 . . . . . . 118 ILE QD1 . 16411 1 1494 . 1 1 118 118 ILE HD13 H 1 0.496 0.005 . . . . . . 118 ILE QD1 . 16411 1 1495 . 1 1 118 118 ILE HG12 H 1 1.307 0.003 . 2 . . . . 118 ILE HG12 . 16411 1 1496 . 1 1 118 118 ILE HG13 H 1 1.115 0.008 . 2 . . . . 118 ILE HG13 . 16411 1 1497 . 1 1 118 118 ILE HG21 H 1 0.035 0.006 . . . . . . 118 ILE QG2 . 16411 1 1498 . 1 1 118 118 ILE HG22 H 1 0.035 0.006 . . . . . . 118 ILE QG2 . 16411 1 1499 . 1 1 118 118 ILE HG23 H 1 0.035 0.006 . . . . . . 118 ILE QG2 . 16411 1 1500 . 1 1 118 118 ILE C C 13 176.178 0.000 . 1 . . . . 118 ILE C . 16411 1 1501 . 1 1 118 118 ILE CA C 13 61.626 0.048 . 1 . . . . 118 ILE CA . 16411 1 1502 . 1 1 118 118 ILE CB C 13 36.839 0.051 . 1 . . . . 118 ILE CB . 16411 1 1503 . 1 1 118 118 ILE CD1 C 13 10.451 0.082 . 1 . . . . 118 ILE CD1 . 16411 1 1504 . 1 1 118 118 ILE CG1 C 13 27.644 0.052 . 1 . . . . 118 ILE CG1 . 16411 1 1505 . 1 1 118 118 ILE CG2 C 13 16.705 0.059 . 1 . . . . 118 ILE CG2 . 16411 1 1506 . 1 1 118 118 ILE N N 15 117.038 0.029 . 1 . . . . 118 ILE N . 16411 1 1507 . 1 1 119 119 PHE H H 1 8.037 0.012 . 1 . . . . 119 PHE H . 16411 1 1508 . 1 1 119 119 PHE HA H 1 5.273 0.006 . 1 . . . . 119 PHE HA . 16411 1 1509 . 1 1 119 119 PHE HB2 H 1 2.653 0.007 . 2 . . . . 119 PHE HB2 . 16411 1 1510 . 1 1 119 119 PHE HB3 H 1 3.437 0.010 . 2 . . . . 119 PHE HB3 . 16411 1 1511 . 1 1 119 119 PHE HD1 H 1 7.230 0.015 . 3 . . . . 119 PHE QD . 16411 1 1512 . 1 1 119 119 PHE HD2 H 1 7.230 0.015 . 3 . . . . 119 PHE QD . 16411 1 1513 . 1 1 119 119 PHE HE1 H 1 7.216 0.009 . 3 . . . . 119 PHE QE . 16411 1 1514 . 1 1 119 119 PHE HE2 H 1 7.216 0.009 . 3 . . . . 119 PHE QE . 16411 1 1515 . 1 1 119 119 PHE HZ H 1 7.019 0.009 . 1 . . . . 119 PHE HZ . 16411 1 1516 . 1 1 119 119 PHE C C 13 175.184 0.000 . 1 . . . . 119 PHE C . 16411 1 1517 . 1 1 119 119 PHE CA C 13 53.566 0.052 . 1 . . . . 119 PHE CA . 16411 1 1518 . 1 1 119 119 PHE CB C 13 42.409 0.052 . 1 . . . . 119 PHE CB . 16411 1 1519 . 1 1 119 119 PHE N N 15 115.135 0.041 . 1 . . . . 119 PHE N . 16411 1 1520 . 1 1 120 120 SER H H 1 8.663 0.010 . 1 . . . . 120 SER H . 16411 1 1521 . 1 1 120 120 SER HA H 1 4.380 0.006 . 1 . . . . 120 SER HA . 16411 1 1522 . 1 1 120 120 SER HB2 H 1 4.377 0.006 . 2 . . . . 120 SER HB2 . 16411 1 1523 . 1 1 120 120 SER HB3 H 1 4.131 0.003 . 2 . . . . 120 SER HB3 . 16411 1 1524 . 1 1 120 120 SER C C 13 174.190 0.000 . 1 . . . . 120 SER C . 16411 1 1525 . 1 1 120 120 SER CA C 13 57.498 0.033 . 1 . . . . 120 SER CA . 16411 1 1526 . 1 1 120 120 SER CB C 13 64.728 0.038 . 1 . . . . 120 SER CB . 16411 1 1527 . 1 1 120 120 SER N N 15 115.936 0.035 . 1 . . . . 120 SER N . 16411 1 1528 . 1 1 121 121 LYS H H 1 8.766 0.006 . 1 . . . . 121 LYS H . 16411 1 1529 . 1 1 121 121 LYS HA H 1 3.971 0.013 . 1 . . . . 121 LYS HA . 16411 1 1530 . 1 1 121 121 LYS HB2 H 1 1.894 0.004 . 2 . . . . 121 LYS HB2 . 16411 1 1531 . 1 1 121 121 LYS HB3 H 1 1.818 0.012 . 2 . . . . 121 LYS HB3 . 16411 1 1532 . 1 1 121 121 LYS HD2 H 1 1.730 0.010 . 2 . . . . 121 LYS QD . 16411 1 1533 . 1 1 121 121 LYS HD3 H 1 1.730 0.010 . 2 . . . . 121 LYS QD . 16411 1 1534 . 1 1 121 121 LYS HE2 H 1 3.022 0.000 . 2 . . . . 121 LYS QE . 16411 1 1535 . 1 1 121 121 LYS HE3 H 1 3.022 0.000 . 2 . . . . 121 LYS QE . 16411 1 1536 . 1 1 121 121 LYS HG2 H 1 1.594 0.009 . 2 . . . . 121 LYS HG2 . 16411 1 1537 . 1 1 121 121 LYS HG3 H 1 1.505 0.009 . 2 . . . . 121 LYS HG3 . 16411 1 1538 . 1 1 121 121 LYS C C 13 178.902 0.000 . 1 . . . . 121 LYS C . 16411 1 1539 . 1 1 121 121 LYS CA C 13 59.275 0.156 . 1 . . . . 121 LYS CA . 16411 1 1540 . 1 1 121 121 LYS CB C 13 31.990 0.029 . 1 . . . . 121 LYS CB . 16411 1 1541 . 1 1 121 121 LYS CD C 13 29.256 0.021 . 1 . . . . 121 LYS CD . 16411 1 1542 . 1 1 121 121 LYS CE C 13 42.278 0.000 . 1 . . . . 121 LYS CE . 16411 1 1543 . 1 1 121 121 LYS CG C 13 24.822 0.030 . 1 . . . . 121 LYS CG . 16411 1 1544 . 1 1 121 121 LYS N N 15 121.068 0.031 . 1 . . . . 121 LYS N . 16411 1 1545 . 1 1 122 122 GLN H H 1 8.369 0.012 . 1 . . . . 122 GLN H . 16411 1 1546 . 1 1 122 122 GLN HA H 1 3.992 0.007 . 1 . . . . 122 GLN HA . 16411 1 1547 . 1 1 122 122 GLN HB2 H 1 2.160 0.011 . 2 . . . . 122 GLN HB2 . 16411 1 1548 . 1 1 122 122 GLN HB3 H 1 1.963 0.006 . 2 . . . . 122 GLN HB3 . 16411 1 1549 . 1 1 122 122 GLN HE21 H 1 7.768 0.008 . 2 . . . . 122 GLN HE21 . 16411 1 1550 . 1 1 122 122 GLN HE22 H 1 6.900 0.003 . 2 . . . . 122 GLN HE22 . 16411 1 1551 . 1 1 122 122 GLN HG2 H 1 2.418 0.018 . 2 . . . . 122 GLN HG2 . 16411 1 1552 . 1 1 122 122 GLN HG3 H 1 2.394 0.008 . 2 . . . . 122 GLN HG3 . 16411 1 1553 . 1 1 122 122 GLN C C 13 177.851 0.000 . 1 . . . . 122 GLN C . 16411 1 1554 . 1 1 122 122 GLN CA C 13 59.073 0.067 . 1 . . . . 122 GLN CA . 16411 1 1555 . 1 1 122 122 GLN CB C 13 28.363 0.069 . 1 . . . . 122 GLN CB . 16411 1 1556 . 1 1 122 122 GLN CG C 13 33.692 0.065 . 1 . . . . 122 GLN CG . 16411 1 1557 . 1 1 122 122 GLN N N 15 117.832 0.054 . 1 . . . . 122 GLN N . 16411 1 1558 . 1 1 122 122 GLN NE2 N 15 114.608 0.041 . 1 . . . . 122 GLN NE2 . 16411 1 1559 . 1 1 123 123 VAL H H 1 7.437 0.003 . 1 . . . . 123 VAL H . 16411 1 1560 . 1 1 123 123 VAL HA H 1 3.700 0.006 . 1 . . . . 123 VAL HA . 16411 1 1561 . 1 1 123 123 VAL HB H 1 2.225 0.008 . 1 . . . . 123 VAL HB . 16411 1 1562 . 1 1 123 123 VAL HG11 H 1 0.664 0.012 . . . . . . 123 VAL QG1 . 16411 1 1563 . 1 1 123 123 VAL HG12 H 1 0.664 0.012 . . . . . . 123 VAL QG1 . 16411 1 1564 . 1 1 123 123 VAL HG13 H 1 0.664 0.012 . . . . . . 123 VAL QG1 . 16411 1 1565 . 1 1 123 123 VAL HG21 H 1 0.935 0.007 . . . . . . 123 VAL QG2 . 16411 1 1566 . 1 1 123 123 VAL HG22 H 1 0.935 0.007 . . . . . . 123 VAL QG2 . 16411 1 1567 . 1 1 123 123 VAL HG23 H 1 0.935 0.007 . . . . . . 123 VAL QG2 . 16411 1 1568 . 1 1 123 123 VAL CA C 13 66.481 0.055 . 1 . . . . 123 VAL CA . 16411 1 1569 . 1 1 123 123 VAL CB C 13 31.688 0.029 . 1 . . . . 123 VAL CB . 16411 1 1570 . 1 1 123 123 VAL CG1 C 13 21.817 0.049 . 2 . . . . 123 VAL CG1 . 16411 1 1571 . 1 1 123 123 VAL CG2 C 13 23.167 0.052 . 2 . . . . 123 VAL CG2 . 16411 1 1572 . 1 1 123 123 VAL N N 15 121.119 0.032 . 1 . . . . 123 VAL N . 16411 1 1573 . 1 1 124 124 VAL H H 1 8.406 0.011 . 1 . . . . 124 VAL H . 16411 1 1574 . 1 1 124 124 VAL HA H 1 3.462 0.007 . 1 . . . . 124 VAL HA . 16411 1 1575 . 1 1 124 124 VAL HB H 1 2.169 0.012 . 1 . . . . 124 VAL HB . 16411 1 1576 . 1 1 124 124 VAL HG11 H 1 0.951 0.006 . . . . . . 124 VAL QG1 . 16411 1 1577 . 1 1 124 124 VAL HG12 H 1 0.951 0.006 . . . . . . 124 VAL QG1 . 16411 1 1578 . 1 1 124 124 VAL HG13 H 1 0.951 0.006 . . . . . . 124 VAL QG1 . 16411 1 1579 . 1 1 124 124 VAL HG21 H 1 1.108 0.010 . . . . . . 124 VAL QG2 . 16411 1 1580 . 1 1 124 124 VAL HG22 H 1 1.108 0.010 . . . . . . 124 VAL QG2 . 16411 1 1581 . 1 1 124 124 VAL HG23 H 1 1.108 0.010 . . . . . . 124 VAL QG2 . 16411 1 1582 . 1 1 124 124 VAL C C 13 179.094 1.228 . 1 . . . . 124 VAL C . 16411 1 1583 . 1 1 124 124 VAL CA C 13 67.829 0.065 . 1 . . . . 124 VAL CA . 16411 1 1584 . 1 1 124 124 VAL CB C 13 31.246 0.033 . 1 . . . . 124 VAL CB . 16411 1 1585 . 1 1 124 124 VAL CG1 C 13 21.725 0.037 . 2 . . . . 124 VAL CG1 . 16411 1 1586 . 1 1 124 124 VAL CG2 C 13 24.072 0.040 . 2 . . . . 124 VAL CG2 . 16411 1 1587 . 1 1 124 124 VAL N N 15 119.469 0.060 . 1 . . . . 124 VAL N . 16411 1 1588 . 1 1 125 125 ASN H H 1 8.335 0.007 . 1 . . . . 125 ASN H . 16411 1 1589 . 1 1 125 125 ASN HA H 1 4.479 0.006 . 1 . . . . 125 ASN HA . 16411 1 1590 . 1 1 125 125 ASN HB2 H 1 2.939 0.007 . 2 . . . . 125 ASN HB2 . 16411 1 1591 . 1 1 125 125 ASN HB3 H 1 2.868 0.010 . 2 . . . . 125 ASN HB3 . 16411 1 1592 . 1 1 125 125 ASN HD21 H 1 7.620 0.002 . 2 . . . . 125 ASN HD21 . 16411 1 1593 . 1 1 125 125 ASN HD22 H 1 6.890 0.002 . 2 . . . . 125 ASN HD22 . 16411 1 1594 . 1 1 125 125 ASN C C 13 177.869 0.000 . 1 . . . . 125 ASN C . 16411 1 1595 . 1 1 125 125 ASN CA C 13 56.496 0.026 . 1 . . . . 125 ASN CA . 16411 1 1596 . 1 1 125 125 ASN CB C 13 38.259 0.048 . 1 . . . . 125 ASN CB . 16411 1 1597 . 1 1 125 125 ASN N N 15 118.480 0.048 . 1 . . . . 125 ASN N . 16411 1 1598 . 1 1 125 125 ASN ND2 N 15 111.772 0.017 . 1 . . . . 125 ASN ND2 . 16411 1 1599 . 1 1 126 126 ASP H H 1 8.325 0.006 . 1 . . . . 126 ASP H . 16411 1 1600 . 1 1 126 126 ASP HA H 1 4.407 0.008 . 1 . . . . 126 ASP HA . 16411 1 1601 . 1 1 126 126 ASP HB2 H 1 2.991 0.007 . 2 . . . . 126 ASP HB2 . 16411 1 1602 . 1 1 126 126 ASP HB3 H 1 2.522 0.008 . 2 . . . . 126 ASP HB3 . 16411 1 1603 . 1 1 126 126 ASP C C 13 179.827 0.000 . 1 . . . . 126 ASP C . 16411 1 1604 . 1 1 126 126 ASP CA C 13 57.441 0.163 . 1 . . . . 126 ASP CA . 16411 1 1605 . 1 1 126 126 ASP CB C 13 39.674 0.028 . 1 . . . . 126 ASP CB . 16411 1 1606 . 1 1 126 126 ASP N N 15 121.987 0.014 . 1 . . . . 126 ASP N . 16411 1 1607 . 1 1 127 127 ILE H H 1 9.026 0.007 . 1 . . . . 127 ILE H . 16411 1 1608 . 1 1 127 127 ILE HA H 1 3.458 0.006 . 1 . . . . 127 ILE HA . 16411 1 1609 . 1 1 127 127 ILE HB H 1 2.139 0.012 . 1 . . . . 127 ILE HB . 16411 1 1610 . 1 1 127 127 ILE HD11 H 1 0.705 0.008 . . . . . . 127 ILE QD1 . 16411 1 1611 . 1 1 127 127 ILE HD12 H 1 0.705 0.008 . . . . . . 127 ILE QD1 . 16411 1 1612 . 1 1 127 127 ILE HD13 H 1 0.705 0.008 . . . . . . 127 ILE QD1 . 16411 1 1613 . 1 1 127 127 ILE HG12 H 1 2.059 0.008 . 2 . . . . 127 ILE HG12 . 16411 1 1614 . 1 1 127 127 ILE HG13 H 1 0.518 0.008 . 2 . . . . 127 ILE HG13 . 16411 1 1615 . 1 1 127 127 ILE HG21 H 1 0.828 0.004 . . . . . . 127 ILE QG2 . 16411 1 1616 . 1 1 127 127 ILE HG22 H 1 0.828 0.004 . . . . . . 127 ILE QG2 . 16411 1 1617 . 1 1 127 127 ILE HG23 H 1 0.828 0.004 . . . . . . 127 ILE QG2 . 16411 1 1618 . 1 1 127 127 ILE C C 13 177.584 0.000 . 1 . . . . 127 ILE C . 16411 1 1619 . 1 1 127 127 ILE CA C 13 66.356 0.029 . 1 . . . . 127 ILE CA . 16411 1 1620 . 1 1 127 127 ILE CB C 13 38.270 0.052 . 1 . . . . 127 ILE CB . 16411 1 1621 . 1 1 127 127 ILE CD1 C 13 14.417 0.063 . 1 . . . . 127 ILE CD1 . 16411 1 1622 . 1 1 127 127 ILE CG1 C 13 28.223 0.055 . 1 . . . . 127 ILE CG1 . 16411 1 1623 . 1 1 127 127 ILE CG2 C 13 17.995 0.109 . 1 . . . . 127 ILE CG2 . 16411 1 1624 . 1 1 127 127 ILE N N 15 123.613 0.030 . 1 . . . . 127 ILE N . 16411 1 1625 . 1 1 128 128 GLU H H 1 8.699 0.004 . 1 . . . . 128 GLU H . 16411 1 1626 . 1 1 128 128 GLU HA H 1 3.858 0.012 . 1 . . . . 128 GLU HA . 16411 1 1627 . 1 1 128 128 GLU HB2 H 1 2.252 0.009 . 2 . . . . 128 GLU HB2 . 16411 1 1628 . 1 1 128 128 GLU HB3 H 1 1.997 0.007 . 2 . . . . 128 GLU HB3 . 16411 1 1629 . 1 1 128 128 GLU HG2 H 1 2.591 0.006 . 2 . . . . 128 GLU HG2 . 16411 1 1630 . 1 1 128 128 GLU HG3 H 1 2.079 0.005 . 2 . . . . 128 GLU HG3 . 16411 1 1631 . 1 1 128 128 GLU C C 13 177.775 0.000 . 1 . . . . 128 GLU C . 16411 1 1632 . 1 1 128 128 GLU CA C 13 60.651 0.098 . 1 . . . . 128 GLU CA . 16411 1 1633 . 1 1 128 128 GLU CB C 13 29.245 0.038 . 1 . . . . 128 GLU CB . 16411 1 1634 . 1 1 128 128 GLU CG C 13 37.343 0.050 . 1 . . . . 128 GLU CG . 16411 1 1635 . 1 1 128 128 GLU N N 15 118.683 0.018 . 1 . . . . 128 GLU N . 16411 1 1636 . 1 1 129 129 ARG H H 1 8.372 0.011 . 1 . . . . 129 ARG H . 16411 1 1637 . 1 1 129 129 ARG HA H 1 4.082 0.008 . 1 . . . . 129 ARG HA . 16411 1 1638 . 1 1 129 129 ARG HB2 H 1 1.947 0.013 . 2 . . . . 129 ARG QB . 16411 1 1639 . 1 1 129 129 ARG HB3 H 1 1.947 0.013 . 2 . . . . 129 ARG QB . 16411 1 1640 . 1 1 129 129 ARG HD2 H 1 3.228 0.009 . 2 . . . . 129 ARG QD . 16411 1 1641 . 1 1 129 129 ARG HD3 H 1 3.228 0.009 . 2 . . . . 129 ARG QD . 16411 1 1642 . 1 1 129 129 ARG HG2 H 1 1.802 0.016 . 2 . . . . 129 ARG HG2 . 16411 1 1643 . 1 1 129 129 ARG HG3 H 1 1.650 0.004 . 2 . . . . 129 ARG HG3 . 16411 1 1644 . 1 1 129 129 ARG C C 13 179.180 0.000 . 1 . . . . 129 ARG C . 16411 1 1645 . 1 1 129 129 ARG CA C 13 59.305 0.059 . 1 . . . . 129 ARG CA . 16411 1 1646 . 1 1 129 129 ARG CB C 13 30.159 0.110 . 1 . . . . 129 ARG CB . 16411 1 1647 . 1 1 129 129 ARG CD C 13 43.150 0.011 . 1 . . . . 129 ARG CD . 16411 1 1648 . 1 1 129 129 ARG CG C 13 27.490 0.036 . 1 . . . . 129 ARG CG . 16411 1 1649 . 1 1 129 129 ARG N N 15 119.604 0.035 . 1 . . . . 129 ARG N . 16411 1 1650 . 1 1 130 130 SER H H 1 8.093 0.005 . 1 . . . . 130 SER H . 16411 1 1651 . 1 1 130 130 SER HA H 1 4.261 0.013 . 1 . . . . 130 SER HA . 16411 1 1652 . 1 1 130 130 SER HB2 H 1 4.016 0.009 . 2 . . . . 130 SER HB2 . 16411 1 1653 . 1 1 130 130 SER HB3 H 1 3.926 0.015 . 2 . . . . 130 SER HB3 . 16411 1 1654 . 1 1 130 130 SER C C 13 177.539 0.000 . 1 . . . . 130 SER C . 16411 1 1655 . 1 1 130 130 SER CA C 13 61.371 0.042 . 1 . . . . 130 SER CA . 16411 1 1656 . 1 1 130 130 SER CB C 13 63.092 0.051 . 1 . . . . 130 SER CB . 16411 1 1657 . 1 1 130 130 SER N N 15 116.574 0.022 . 1 . . . . 130 SER N . 16411 1 1658 . 1 1 131 131 LEU H H 1 8.187 0.006 . 1 . . . . 131 LEU H . 16411 1 1659 . 1 1 131 131 LEU HA H 1 4.183 0.007 . 1 . . . . 131 LEU HA . 16411 1 1660 . 1 1 131 131 LEU HB2 H 1 1.822 0.007 . 2 . . . . 131 LEU HB2 . 16411 1 1661 . 1 1 131 131 LEU HB3 H 1 1.533 0.006 . 2 . . . . 131 LEU HB3 . 16411 1 1662 . 1 1 131 131 LEU HD11 H 1 0.821 0.010 . . . . . . 131 LEU QD1 . 16411 1 1663 . 1 1 131 131 LEU HD12 H 1 0.821 0.010 . . . . . . 131 LEU QD1 . 16411 1 1664 . 1 1 131 131 LEU HD13 H 1 0.821 0.010 . . . . . . 131 LEU QD1 . 16411 1 1665 . 1 1 131 131 LEU HD21 H 1 0.679 0.004 . . . . . . 131 LEU QD2 . 16411 1 1666 . 1 1 131 131 LEU HD22 H 1 0.679 0.004 . . . . . . 131 LEU QD2 . 16411 1 1667 . 1 1 131 131 LEU HD23 H 1 0.679 0.004 . . . . . . 131 LEU QD2 . 16411 1 1668 . 1 1 131 131 LEU HG H 1 1.868 0.008 . 1 . . . . 131 LEU HG . 16411 1 1669 . 1 1 131 131 LEU C C 13 178.238 0.000 . 1 . . . . 131 LEU C . 16411 1 1670 . 1 1 131 131 LEU CA C 13 56.939 0.085 . 1 . . . . 131 LEU CA . 16411 1 1671 . 1 1 131 131 LEU CB C 13 41.263 0.061 . 1 . . . . 131 LEU CB . 16411 1 1672 . 1 1 131 131 LEU CD1 C 13 25.923 0.023 . 2 . . . . 131 LEU CD1 . 16411 1 1673 . 1 1 131 131 LEU CD2 C 13 23.303 0.108 . 2 . . . . 131 LEU CD2 . 16411 1 1674 . 1 1 131 131 LEU CG C 13 26.953 0.034 . 1 . . . . 131 LEU CG . 16411 1 1675 . 1 1 131 131 LEU N N 15 121.355 0.030 . 1 . . . . 131 LEU N . 16411 1 1676 . 1 1 132 132 ALA H H 1 7.523 0.005 . 1 . . . . 132 ALA H . 16411 1 1677 . 1 1 132 132 ALA HA H 1 4.201 0.005 . 1 . . . . 132 ALA HA . 16411 1 1678 . 1 1 132 132 ALA HB1 H 1 1.462 0.014 . . . . . . 132 ALA QB . 16411 1 1679 . 1 1 132 132 ALA HB2 H 1 1.462 0.014 . . . . . . 132 ALA QB . 16411 1 1680 . 1 1 132 132 ALA HB3 H 1 1.462 0.014 . . . . . . 132 ALA QB . 16411 1 1681 . 1 1 132 132 ALA C C 13 178.509 0.000 . 1 . . . . 132 ALA C . 16411 1 1682 . 1 1 132 132 ALA CA C 13 53.311 0.030 . 1 . . . . 132 ALA CA . 16411 1 1683 . 1 1 132 132 ALA CB C 13 18.604 0.080 . 1 . . . . 132 ALA CB . 16411 1 1684 . 1 1 132 132 ALA N N 15 120.895 0.024 . 1 . . . . 132 ALA N . 16411 1 1685 . 1 1 133 133 ALA H H 1 7.678 0.004 . 1 . . . . 133 ALA H . 16411 1 1686 . 1 1 133 133 ALA HA H 1 4.203 0.004 . 1 . . . . 133 ALA HA . 16411 1 1687 . 1 1 133 133 ALA HB1 H 1 1.441 0.013 . . . . . . 133 ALA QB . 16411 1 1688 . 1 1 133 133 ALA HB2 H 1 1.441 0.013 . . . . . . 133 ALA QB . 16411 1 1689 . 1 1 133 133 ALA HB3 H 1 1.441 0.013 . . . . . . 133 ALA QB . 16411 1 1690 . 1 1 133 133 ALA C C 13 178.034 0.000 . 1 . . . . 133 ALA C . 16411 1 1691 . 1 1 133 133 ALA CA C 13 53.330 0.105 . 1 . . . . 133 ALA CA . 16411 1 1692 . 1 1 133 133 ALA CB C 13 18.806 0.040 . 1 . . . . 133 ALA CB . 16411 1 1693 . 1 1 133 133 ALA N N 15 121.258 0.043 . 1 . . . . 133 ALA N . 16411 1 1694 . 1 1 134 134 ALA H H 1 7.786 0.002 . 1 . . . . 134 ALA H . 16411 1 1695 . 1 1 134 134 ALA HA H 1 4.275 0.003 . 1 . . . . 134 ALA HA . 16411 1 1696 . 1 1 134 134 ALA HB1 H 1 1.421 0.010 . . . . . . 134 ALA QB . 16411 1 1697 . 1 1 134 134 ALA HB2 H 1 1.421 0.010 . . . . . . 134 ALA QB . 16411 1 1698 . 1 1 134 134 ALA HB3 H 1 1.421 0.010 . . . . . . 134 ALA QB . 16411 1 1699 . 1 1 134 134 ALA C C 13 177.922 0.000 . 1 . . . . 134 ALA C . 16411 1 1700 . 1 1 134 134 ALA CA C 13 52.700 0.041 . 1 . . . . 134 ALA CA . 16411 1 1701 . 1 1 134 134 ALA CB C 13 18.997 0.089 . 1 . . . . 134 ALA CB . 16411 1 1702 . 1 1 134 134 ALA N N 15 121.023 0.029 . 1 . . . . 134 ALA N . 16411 1 1703 . 1 1 135 135 LEU H H 1 7.893 0.007 . 1 . . . . 135 LEU H . 16411 1 1704 . 1 1 135 135 LEU HA H 1 4.279 0.010 . 1 . . . . 135 LEU HA . 16411 1 1705 . 1 1 135 135 LEU HB2 H 1 1.654 0.007 . 2 . . . . 135 LEU HB2 . 16411 1 1706 . 1 1 135 135 LEU HB3 H 1 1.539 0.009 . 2 . . . . 135 LEU HB3 . 16411 1 1707 . 1 1 135 135 LEU HD11 H 1 0.911 0.000 . . . . . . 135 LEU QD1 . 16411 1 1708 . 1 1 135 135 LEU HD12 H 1 0.911 0.000 . . . . . . 135 LEU QD1 . 16411 1 1709 . 1 1 135 135 LEU HD13 H 1 0.911 0.000 . . . . . . 135 LEU QD1 . 16411 1 1710 . 1 1 135 135 LEU HD21 H 1 0.851 0.012 . . . . . . 135 LEU QD2 . 16411 1 1711 . 1 1 135 135 LEU HD22 H 1 0.851 0.012 . . . . . . 135 LEU QD2 . 16411 1 1712 . 1 1 135 135 LEU HD23 H 1 0.851 0.012 . . . . . . 135 LEU QD2 . 16411 1 1713 . 1 1 135 135 LEU HG H 1 1.641 0.001 . 1 . . . . 135 LEU HG . 16411 1 1714 . 1 1 135 135 LEU C C 13 177.549 0.000 . 1 . . . . 135 LEU C . 16411 1 1715 . 1 1 135 135 LEU CA C 13 55.247 0.079 . 1 . . . . 135 LEU CA . 16411 1 1716 . 1 1 135 135 LEU CB C 13 42.269 0.000 . 1 . . . . 135 LEU CB . 16411 1 1717 . 1 1 135 135 LEU CD1 C 13 25.202 0.000 . 2 . . . . 135 LEU CD1 . 16411 1 1718 . 1 1 135 135 LEU CD2 C 13 23.382 0.000 . 2 . . . . 135 LEU CD2 . 16411 1 1719 . 1 1 135 135 LEU CG C 13 26.860 0.116 . 1 . . . . 135 LEU CG . 16411 1 1720 . 1 1 135 135 LEU N N 15 119.970 0.006 . 1 . . . . 135 LEU N . 16411 1 1721 . 1 1 136 136 GLU H H 1 8.116 0.008 . 1 . . . . 136 GLU H . 16411 1 1722 . 1 1 136 136 GLU HA H 1 4.184 0.004 . 1 . . . . 136 GLU HA . 16411 1 1723 . 1 1 136 136 GLU HB2 H 1 1.917 0.021 . 2 . . . . 136 GLU HB2 . 16411 1 1724 . 1 1 136 136 GLU HB3 H 1 1.887 0.007 . 2 . . . . 136 GLU HB3 . 16411 1 1725 . 1 1 136 136 GLU HG2 H 1 2.225 0.005 . 2 . . . . 136 GLU HG2 . 16411 1 1726 . 1 1 136 136 GLU HG3 H 1 2.135 0.011 . 2 . . . . 136 GLU HG3 . 16411 1 1727 . 1 1 136 136 GLU C C 13 176.237 0.000 . 1 . . . . 136 GLU C . 16411 1 1728 . 1 1 136 136 GLU CA C 13 56.538 0.029 . 1 . . . . 136 GLU CA . 16411 1 1729 . 1 1 136 136 GLU CB C 13 30.356 0.007 . 1 . . . . 136 GLU CB . 16411 1 1730 . 1 1 136 136 GLU CG C 13 36.233 0.093 . 1 . . . . 136 GLU CG . 16411 1 1731 . 1 1 136 136 GLU N N 15 120.780 0.029 . 1 . . . . 136 GLU N . 16411 1 1732 . 1 1 137 137 HIS H H 1 8.252 0.011 . 1 . . . . 137 HIS H . 16411 1 1733 . 1 1 137 137 HIS C C 13 174.003 0.000 . 1 . . . . 137 HIS C . 16411 1 1734 . 1 1 137 137 HIS N N 15 119.790 0.020 . 1 . . . . 137 HIS N . 16411 1 1735 . 1 1 138 138 HIS H H 1 8.134 0.018 . 1 . . . . 138 HIS H . 16411 1 1736 . 1 1 138 138 HIS N N 15 125.517 0.000 . 1 . . . . 138 HIS N . 16411 1 stop_ save_