data_17927 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17927 _Entry.Title ; Solution Structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-09 _Entry.Accession_date 2011-09-09 _Entry.Last_release_date 2011-10-10 _Entry.Original_release_date 2011-10-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 R. Harris . . . 17927 2 R. Seidel . D. . 17927 3 B. Hillerich . . . 17927 4 A. Gizzi . . . 17927 5 A. Kar . . . 17927 6 J. LaFleur . . . 17927 7 S. Chamala . . . 17927 8 R. Foti . . . 17927 9 G. Villegas . . . 17927 10 B. Evans . . . 17927 11 W. Zencheck . . . 17927 12 M. Girvin . E. . 17927 13 S. Almo . C. . 17927 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 1 'PSI, Protein Structure Initiative' 'New York Structural Genomics Research Consortium' . 17927 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'New York Structural Genomics Research Consortium' . 17927 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York Structural Genomics Research Consortium' . 17927 'STRUCTURAL GENOMICS' . 17927 THIOREDOXIN-LIKE . 17927 'UNKNOWN FUNCTION' . 17927 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17927 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 644 17927 '15N chemical shifts' 153 17927 '1H chemical shifts' 1007 17927 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 1 . . 2011-10-10 2011-09-09 original author . 17927 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJA 'BMRB Entry Tracking System' 17927 TargetDB NYSGRC-501011 . 17927 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17927 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 R. Harris . . . 17927 1 2 R. Seidel . D. . 17927 1 3 B. Hillerich . . . 17927 1 4 A. Gizzi . . . 17927 1 5 A. Kar . . . 17927 1 6 J. LaFleur . . . 17927 1 7 S. Chamala . . . 17927 1 8 R. Foti . . . 17927 1 9 G. Villegas . . . 17927 1 10 B. Evans . . . 17927 1 11 W. Zencheck . . . 17927 1 12 M. Girvin . E. . 17927 1 13 S. Almo . C. . 17927 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17927 _Assembly.ID 1 _Assembly.Name 'putative thiol-disulfide oxidoreductase' _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 'putative thiol-disulfide oxidoreductase' 1 $putative_thiol-disulfide_oxidoreductase A . yes native no no . . . 17927 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_putative_thiol-disulfide_oxidoreductase _Entity.Sf_category entity _Entity.Sf_framecode putative_thiol-disulfide_oxidoreductase _Entity.Entry_ID 17927 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name putative_thiol-disulfide_oxidoreductase _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 ; MSLRSGNPSAASFSYPDING KTVSLADLKGKYIYIDVWAT WCGPCRGELPALKELEEKYA GKDIHFVSLSCDKNKKAWEN MVTKDQLKGIQLHMGTDRTF MDAYLINGIPRFILLDRDGK IISANMTRPSDPKTAEKFNE LLGLEGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues R4 to L144 correspond to residues 309-449 of Uniprot ID: A6L1T5' _Entity.Polymer_author_seq_details ; N-term cloning artifact: MSL C-term cloning artifact: EGHHHHHH ; _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 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17183.805 _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 PDB 2LJA . "Solution Structure Of A Putative Thiol-Disulfide Oxidoreductase From Bacteroides Vulgatus" . . . . . 100.00 152 100.00 100.00 7.73e-109 . . . . 17927 1 2 no EMBL CDF17378 . "uncharacterized protein BN728_01787 [Bacteroides vulgatus CAG:6]" . . . . . 78.95 120 97.50 98.33 6.32e-80 . . . . 17927 1 3 no EMBL CUN52396 . "thiol-disulfide oxidoreductase [Bacteroides vulgatus]" . . . . . 93.42 449 100.00 100.00 1.51e-98 . . . . 17927 1 4 no EMBL CUP75658 . "thiol-disulfide oxidoreductase [Bacteroides vulgatus]" . . . . . 78.95 120 99.17 100.00 2.01e-82 . . . . 17927 1 5 no EMBL CUQ21146 . "thiol-disulfide oxidoreductase [Bacteroides vulgatus]" . . . . . 93.42 449 100.00 100.00 1.11e-98 . . . . 17927 1 6 no GB ABR39649 . "putative thiol-disulfide oxidoreductase [Bacteroides vulgatus ATCC 8482]" . . . . . 93.42 449 100.00 100.00 1.51e-98 . . . . 17927 1 7 no GB AII64815 . "thiol-disulfide oxidoreductase [Bacteroides dorei]" . . . . . 93.42 449 97.18 98.59 5.24e-96 . . . . 17927 1 8 no GB AII68048 . "thiol-disulfide oxidoreductase [Bacteroides dorei]" . . . . . 93.42 449 97.18 98.59 5.83e-96 . . . . 17927 1 9 no GB ALA73774 . "thiol-disulfide oxidoreductase [Bacteroides dorei]" . . . . . 93.42 449 97.18 98.59 5.83e-96 . . . . 17927 1 10 no GB ALK83822 . "Thiol:disulfide interchange protein [Bacteroides vulgatus]" . . . . . 93.42 457 100.00 100.00 1.58e-98 . . . . 17927 1 11 no REF WP_005848950 . "MULTISPECIES: thiol-disulfide oxidoreductase [Bacteroides]" . . . . . 93.42 449 100.00 100.00 1.11e-98 . . . . 17927 1 12 no REF WP_007836144 . "MULTISPECIES: thiol-disulfide oxidoreductase [Bacteroides]" . . . . . 93.42 449 97.18 98.59 5.83e-96 . . . . 17927 1 13 no REF WP_007856260 . "thiol-disulfide oxidoreductase [Bacteroides dorei]" . . . . . 93.42 449 97.18 98.59 5.47e-96 . . . . 17927 1 14 no REF WP_011965399 . "thiol-disulfide oxidoreductase [Bacteroides vulgatus]" . . . . . 93.42 449 100.00 100.00 1.51e-98 . . . . 17927 1 15 no REF WP_025018063 . "thiol-disulfide oxidoreductase [Bacteroides sartorii]" . . . . . 93.42 449 98.59 99.30 1.48e-97 . . . . 17927 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 . 17927 1 2 . SER . 17927 1 3 . LEU . 17927 1 4 . ARG . 17927 1 5 . SER . 17927 1 6 . GLY . 17927 1 7 . ASN . 17927 1 8 . PRO . 17927 1 9 . SER . 17927 1 10 . ALA . 17927 1 11 . ALA . 17927 1 12 . SER . 17927 1 13 . PHE . 17927 1 14 . SER . 17927 1 15 . TYR . 17927 1 16 . PRO . 17927 1 17 . ASP . 17927 1 18 . ILE . 17927 1 19 . ASN . 17927 1 20 . GLY . 17927 1 21 . LYS . 17927 1 22 . THR . 17927 1 23 . VAL . 17927 1 24 . SER . 17927 1 25 . LEU . 17927 1 26 . ALA . 17927 1 27 . ASP . 17927 1 28 . LEU . 17927 1 29 . LYS . 17927 1 30 . GLY . 17927 1 31 . LYS . 17927 1 32 . TYR . 17927 1 33 . ILE . 17927 1 34 . TYR . 17927 1 35 . ILE . 17927 1 36 . ASP . 17927 1 37 . VAL . 17927 1 38 . TRP . 17927 1 39 . ALA . 17927 1 40 . THR . 17927 1 41 . TRP . 17927 1 42 . CYS . 17927 1 43 . GLY . 17927 1 44 . PRO . 17927 1 45 . CYS . 17927 1 46 . ARG . 17927 1 47 . GLY . 17927 1 48 . GLU . 17927 1 49 . LEU . 17927 1 50 . PRO . 17927 1 51 . ALA . 17927 1 52 . LEU . 17927 1 53 . LYS . 17927 1 54 . GLU . 17927 1 55 . LEU . 17927 1 56 . GLU . 17927 1 57 . GLU . 17927 1 58 . LYS . 17927 1 59 . TYR . 17927 1 60 . ALA . 17927 1 61 . GLY . 17927 1 62 . LYS . 17927 1 63 . ASP . 17927 1 64 . ILE . 17927 1 65 . HIS . 17927 1 66 . PHE . 17927 1 67 . VAL . 17927 1 68 . SER . 17927 1 69 . LEU . 17927 1 70 . SER . 17927 1 71 . CYS . 17927 1 72 . ASP . 17927 1 73 . LYS . 17927 1 74 . ASN . 17927 1 75 . LYS . 17927 1 76 . LYS . 17927 1 77 . ALA . 17927 1 78 . TRP . 17927 1 79 . GLU . 17927 1 80 . ASN . 17927 1 81 . MET . 17927 1 82 . VAL . 17927 1 83 . THR . 17927 1 84 . LYS . 17927 1 85 . ASP . 17927 1 86 . GLN . 17927 1 87 . LEU . 17927 1 88 . LYS . 17927 1 89 . GLY . 17927 1 90 . ILE . 17927 1 91 . GLN . 17927 1 92 . LEU . 17927 1 93 . HIS . 17927 1 94 . MET . 17927 1 95 . GLY . 17927 1 96 . THR . 17927 1 97 . ASP . 17927 1 98 . ARG . 17927 1 99 . THR . 17927 1 100 . PHE . 17927 1 101 . MET . 17927 1 102 . ASP . 17927 1 103 . ALA . 17927 1 104 . TYR . 17927 1 105 . LEU . 17927 1 106 . ILE . 17927 1 107 . ASN . 17927 1 108 . GLY . 17927 1 109 . ILE . 17927 1 110 . PRO . 17927 1 111 . ARG . 17927 1 112 . PHE . 17927 1 113 . ILE . 17927 1 114 . LEU . 17927 1 115 . LEU . 17927 1 116 . ASP . 17927 1 117 . ARG . 17927 1 118 . ASP . 17927 1 119 . GLY . 17927 1 120 . LYS . 17927 1 121 . ILE . 17927 1 122 . ILE . 17927 1 123 . SER . 17927 1 124 . ALA . 17927 1 125 . ASN . 17927 1 126 . MET . 17927 1 127 . THR . 17927 1 128 . ARG . 17927 1 129 . PRO . 17927 1 130 . SER . 17927 1 131 . ASP . 17927 1 132 . PRO . 17927 1 133 . LYS . 17927 1 134 . THR . 17927 1 135 . ALA . 17927 1 136 . GLU . 17927 1 137 . LYS . 17927 1 138 . PHE . 17927 1 139 . ASN . 17927 1 140 . GLU . 17927 1 141 . LEU . 17927 1 142 . LEU . 17927 1 143 . GLY . 17927 1 144 . LEU . 17927 1 145 . GLU . 17927 1 146 . GLY . 17927 1 147 . HIS . 17927 1 148 . HIS . 17927 1 149 . HIS . 17927 1 150 . HIS . 17927 1 151 . HIS . 17927 1 152 . HIS . 17927 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 17927 1 . SER 2 2 17927 1 . LEU 3 3 17927 1 . ARG 4 4 17927 1 . SER 5 5 17927 1 . GLY 6 6 17927 1 . ASN 7 7 17927 1 . PRO 8 8 17927 1 . SER 9 9 17927 1 . ALA 10 10 17927 1 . ALA 11 11 17927 1 . SER 12 12 17927 1 . PHE 13 13 17927 1 . SER 14 14 17927 1 . TYR 15 15 17927 1 . PRO 16 16 17927 1 . ASP 17 17 17927 1 . ILE 18 18 17927 1 . ASN 19 19 17927 1 . GLY 20 20 17927 1 . LYS 21 21 17927 1 . THR 22 22 17927 1 . VAL 23 23 17927 1 . SER 24 24 17927 1 . LEU 25 25 17927 1 . ALA 26 26 17927 1 . ASP 27 27 17927 1 . LEU 28 28 17927 1 . LYS 29 29 17927 1 . GLY 30 30 17927 1 . LYS 31 31 17927 1 . TYR 32 32 17927 1 . ILE 33 33 17927 1 . TYR 34 34 17927 1 . ILE 35 35 17927 1 . ASP 36 36 17927 1 . VAL 37 37 17927 1 . TRP 38 38 17927 1 . ALA 39 39 17927 1 . THR 40 40 17927 1 . TRP 41 41 17927 1 . CYS 42 42 17927 1 . GLY 43 43 17927 1 . PRO 44 44 17927 1 . CYS 45 45 17927 1 . ARG 46 46 17927 1 . GLY 47 47 17927 1 . GLU 48 48 17927 1 . LEU 49 49 17927 1 . PRO 50 50 17927 1 . ALA 51 51 17927 1 . LEU 52 52 17927 1 . LYS 53 53 17927 1 . GLU 54 54 17927 1 . LEU 55 55 17927 1 . GLU 56 56 17927 1 . GLU 57 57 17927 1 . LYS 58 58 17927 1 . TYR 59 59 17927 1 . ALA 60 60 17927 1 . GLY 61 61 17927 1 . LYS 62 62 17927 1 . ASP 63 63 17927 1 . ILE 64 64 17927 1 . HIS 65 65 17927 1 . PHE 66 66 17927 1 . VAL 67 67 17927 1 . SER 68 68 17927 1 . LEU 69 69 17927 1 . SER 70 70 17927 1 . CYS 71 71 17927 1 . ASP 72 72 17927 1 . LYS 73 73 17927 1 . ASN 74 74 17927 1 . LYS 75 75 17927 1 . LYS 76 76 17927 1 . ALA 77 77 17927 1 . TRP 78 78 17927 1 . GLU 79 79 17927 1 . ASN 80 80 17927 1 . MET 81 81 17927 1 . VAL 82 82 17927 1 . THR 83 83 17927 1 . LYS 84 84 17927 1 . ASP 85 85 17927 1 . GLN 86 86 17927 1 . LEU 87 87 17927 1 . LYS 88 88 17927 1 . GLY 89 89 17927 1 . ILE 90 90 17927 1 . GLN 91 91 17927 1 . LEU 92 92 17927 1 . HIS 93 93 17927 1 . MET 94 94 17927 1 . GLY 95 95 17927 1 . THR 96 96 17927 1 . ASP 97 97 17927 1 . ARG 98 98 17927 1 . THR 99 99 17927 1 . PHE 100 100 17927 1 . MET 101 101 17927 1 . ASP 102 102 17927 1 . ALA 103 103 17927 1 . TYR 104 104 17927 1 . LEU 105 105 17927 1 . ILE 106 106 17927 1 . ASN 107 107 17927 1 . GLY 108 108 17927 1 . ILE 109 109 17927 1 . PRO 110 110 17927 1 . ARG 111 111 17927 1 . PHE 112 112 17927 1 . ILE 113 113 17927 1 . LEU 114 114 17927 1 . LEU 115 115 17927 1 . ASP 116 116 17927 1 . ARG 117 117 17927 1 . ASP 118 118 17927 1 . GLY 119 119 17927 1 . LYS 120 120 17927 1 . ILE 121 121 17927 1 . ILE 122 122 17927 1 . SER 123 123 17927 1 . ALA 124 124 17927 1 . ASN 125 125 17927 1 . MET 126 126 17927 1 . THR 127 127 17927 1 . ARG 128 128 17927 1 . PRO 129 129 17927 1 . SER 130 130 17927 1 . ASP 131 131 17927 1 . PRO 132 132 17927 1 . LYS 133 133 17927 1 . THR 134 134 17927 1 . ALA 135 135 17927 1 . GLU 136 136 17927 1 . LYS 137 137 17927 1 . PHE 138 138 17927 1 . ASN 139 139 17927 1 . GLU 140 140 17927 1 . LEU 141 141 17927 1 . LEU 142 142 17927 1 . GLY 143 143 17927 1 . LEU 144 144 17927 1 . GLU 145 145 17927 1 . GLY 146 146 17927 1 . HIS 147 147 17927 1 . HIS 148 148 17927 1 . HIS 149 149 17927 1 . HIS 150 150 17927 1 . HIS 151 151 17927 1 . HIS 152 152 17927 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 17927 _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 $putative_thiol-disulfide_oxidoreductase . 821 organism . 'Bacteroides vulgatus' 'Bacteroides vulgatus' . . Bacteria . Bacteroides vulgatus . . . . . . . . . . . . . . . . BVU_1977 . . . . 17927 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 17927 _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 $putative_thiol-disulfide_oxidoreductase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 17927 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17927 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 1mM DTT, 1mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'putative thiol-disulfide oxidoreductase' '[U-100% 13C; U-100% 15N]' . . 1 $putative_thiol-disulfide_oxidoreductase . . 1 . . mM . . . . 17927 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17927 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17927 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17927 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17927 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 17927 1 7 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 17927 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17927 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17927 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pD5.4, 1mM DTT, 1mM EDTA' _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 'putative thiol-disulfide oxidoreductase' '[U-100% 13C; U-100% 15N]' . . 1 $putative_thiol-disulfide_oxidoreductase . . 1 . . mM . . . . 17927 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17927 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17927 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17927 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17927 2 6 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 17927 2 7 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 17927 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 17927 _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' 70 . mM 17927 1 pH 5.8 . pH 17927 1 pressure 1 . atm 17927 1 temperature 303 . K 17927 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17927 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17927 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17927 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 17927 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17927 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17927 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17927 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17927 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17927 3 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 17927 _Software.ID 4 _Software.Name MDDNMR _Software.Version 1.8 _Software.Details 'Processing of NUS data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, Jaravine, Maxim, Kazimiercsuk' . . 17927 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17927 4 stop_ save_ save_MDDGUI _Software.Sf_category software _Software.Sf_framecode MDDGUI _Software.Entry_ID 17927 _Software.ID 5 _Software.Name MDDGUI _Software.Version 1.0 _Software.Details 'Processing of NUS data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Gutmanas, Arrowsmith' . . 17927 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17927 5 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 17927 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17927 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17927 _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 Varian Inova . 600 . . . 17927 1 2 spectrometer_2 Bruker DRX . 600 . . . 17927 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 17927 _Experiment_list.ID 1 _Experiment_list.Details 'All 3D data were collected with non-uniform sampling' 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 '15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17927 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17927 1 3 '13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17927 1 4 'aromatic 13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17927 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17927 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17927 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17927 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17927 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17927 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17927 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17927 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17927 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 17927 _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 . . . . . . . . . 17927 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17927 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17927 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 17927 _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 '15N HSQC' . . . 17927 1 3 '13C HSQC' . . . 17927 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 SER HA H 1 4.121 0.000 . 1 . . . A 2 SER HA . 17927 1 2 . 1 1 2 2 SER HB2 H 1 3.989 0.005 . 1 . . . A 2 SER HB2 . 17927 1 3 . 1 1 2 2 SER HB3 H 1 3.982 0.010 . 1 . . . A 2 SER HB3 . 17927 1 4 . 1 1 2 2 SER CA C 13 57.293 0.000 . 1 . . . A 2 SER CA . 17927 1 5 . 1 1 2 2 SER CB C 13 63.545 0.000 . 1 . . . A 2 SER CB . 17927 1 6 . 1 1 3 3 LEU HA H 1 4.432 0.005 . 1 . . . A 3 LEU HA . 17927 1 7 . 1 1 3 3 LEU HB2 H 1 1.659 0.005 . 1 . . . A 3 LEU HB2 . 17927 1 8 . 1 1 3 3 LEU HB3 H 1 1.659 0.005 . 1 . . . A 3 LEU HB3 . 17927 1 9 . 1 1 3 3 LEU HD11 H 1 0.917 0.005 . 2 . . . A 3 LEU HD11 . 17927 1 10 . 1 1 3 3 LEU HD12 H 1 0.917 0.005 . 2 . . . A 3 LEU HD12 . 17927 1 11 . 1 1 3 3 LEU HD13 H 1 0.917 0.005 . 2 . . . A 3 LEU HD13 . 17927 1 12 . 1 1 3 3 LEU HD21 H 1 0.910 0.006 . 2 . . . A 3 LEU HD21 . 17927 1 13 . 1 1 3 3 LEU HD22 H 1 0.910 0.006 . 2 . . . A 3 LEU HD22 . 17927 1 14 . 1 1 3 3 LEU HD23 H 1 0.910 0.006 . 2 . . . A 3 LEU HD23 . 17927 1 15 . 1 1 3 3 LEU C C 13 177.383 0.005 . 1 . . . A 3 LEU C . 17927 1 16 . 1 1 3 3 LEU CA C 13 55.575 0.142 . 1 . . . A 3 LEU CA . 17927 1 17 . 1 1 3 3 LEU CB C 13 42.584 0.116 . 1 . . . A 3 LEU CB . 17927 1 18 . 1 1 3 3 LEU CD1 C 13 23.732 0.004 . 2 . . . A 3 LEU CD1 . 17927 1 19 . 1 1 3 3 LEU CD2 C 13 23.754 0.019 . 2 . . . A 3 LEU CD2 . 17927 1 20 . 1 1 4 4 ARG H H 1 8.410 0.002 . 1 . . . A 4 ARG H . 17927 1 21 . 1 1 4 4 ARG HA H 1 4.384 0.004 . 1 . . . A 4 ARG HA . 17927 1 22 . 1 1 4 4 ARG HB2 H 1 1.892 0.008 . 2 . . . A 4 ARG HB2 . 17927 1 23 . 1 1 4 4 ARG HB3 H 1 1.795 0.008 . 2 . . . A 4 ARG HB3 . 17927 1 24 . 1 1 4 4 ARG HG2 H 1 1.673 0.004 . 1 . . . A 4 ARG HG2 . 17927 1 25 . 1 1 4 4 ARG HG3 H 1 1.673 0.004 . 1 . . . A 4 ARG HG3 . 17927 1 26 . 1 1 4 4 ARG HD2 H 1 3.233 0.001 . 1 . . . A 4 ARG HD2 . 17927 1 27 . 1 1 4 4 ARG HD3 H 1 3.233 0.001 . 1 . . . A 4 ARG HD3 . 17927 1 28 . 1 1 4 4 ARG C C 13 176.410 0.008 . 1 . . . A 4 ARG C . 17927 1 29 . 1 1 4 4 ARG CA C 13 56.269 0.143 . 1 . . . A 4 ARG CA . 17927 1 30 . 1 1 4 4 ARG CB C 13 30.842 0.074 . 1 . . . A 4 ARG CB . 17927 1 31 . 1 1 4 4 ARG CG C 13 27.183 0.000 . 1 . . . A 4 ARG CG . 17927 1 32 . 1 1 4 4 ARG CD C 13 43.308 0.014 . 1 . . . A 4 ARG CD . 17927 1 33 . 1 1 4 4 ARG N N 15 122.080 0.083 . 1 . . . A 4 ARG N . 17927 1 34 . 1 1 5 5 SER H H 1 8.292 0.003 . 1 . . . A 5 SER H . 17927 1 35 . 1 1 5 5 SER HA H 1 4.423 0.004 . 1 . . . A 5 SER HA . 17927 1 36 . 1 1 5 5 SER HB2 H 1 3.914 0.000 . 2 . . . A 5 SER HB2 . 17927 1 37 . 1 1 5 5 SER HB3 H 1 3.868 0.000 . 2 . . . A 5 SER HB3 . 17927 1 38 . 1 1 5 5 SER C C 13 175.039 0.012 . 1 . . . A 5 SER C . 17927 1 39 . 1 1 5 5 SER CA C 13 58.605 0.110 . 1 . . . A 5 SER CA . 17927 1 40 . 1 1 5 5 SER CB C 13 64.044 0.176 . 1 . . . A 5 SER CB . 17927 1 41 . 1 1 5 5 SER N N 15 117.023 0.024 . 1 . . . A 5 SER N . 17927 1 42 . 1 1 6 6 GLY H H 1 8.446 0.002 . 1 . . . A 6 GLY H . 17927 1 43 . 1 1 6 6 GLY HA2 H 1 3.979 0.008 . 1 . . . A 6 GLY HA2 . 17927 1 44 . 1 1 6 6 GLY HA3 H 1 3.979 0.008 . 1 . . . A 6 GLY HA3 . 17927 1 45 . 1 1 6 6 GLY C C 13 173.654 0.009 . 1 . . . A 6 GLY C . 17927 1 46 . 1 1 6 6 GLY CA C 13 45.273 0.129 . 1 . . . A 6 GLY CA . 17927 1 47 . 1 1 6 6 GLY N N 15 110.718 0.026 . 1 . . . A 6 GLY N . 17927 1 48 . 1 1 7 7 ASN H H 1 8.273 0.001 . 1 . . . A 7 ASN H . 17927 1 49 . 1 1 7 7 ASN HA H 1 5.024 0.004 . 1 . . . A 7 ASN HA . 17927 1 50 . 1 1 7 7 ASN HB2 H 1 2.845 0.007 . 2 . . . A 7 ASN HB2 . 17927 1 51 . 1 1 7 7 ASN HB3 H 1 2.690 0.009 . 2 . . . A 7 ASN HB3 . 17927 1 52 . 1 1 7 7 ASN HD21 H 1 7.603 0.005 . 1 . . . A 7 ASN HD21 . 17927 1 53 . 1 1 7 7 ASN HD22 H 1 6.979 0.002 . 1 . . . A 7 ASN HD22 . 17927 1 54 . 1 1 7 7 ASN C C 13 173.672 0.000 . 1 . . . A 7 ASN C . 17927 1 55 . 1 1 7 7 ASN CA C 13 51.357 0.060 . 1 . . . A 7 ASN CA . 17927 1 56 . 1 1 7 7 ASN CB C 13 38.927 0.045 . 1 . . . A 7 ASN CB . 17927 1 57 . 1 1 7 7 ASN N N 15 119.287 0.026 . 1 . . . A 7 ASN N . 17927 1 58 . 1 1 7 7 ASN ND2 N 15 112.992 0.015 . 1 . . . A 7 ASN ND2 . 17927 1 59 . 1 1 8 8 PRO HA H 1 4.447 0.004 . 1 . . . A 8 PRO HA . 17927 1 60 . 1 1 8 8 PRO HB2 H 1 2.235 0.005 . 2 . . . A 8 PRO HB2 . 17927 1 61 . 1 1 8 8 PRO HB3 H 1 1.902 0.004 . 2 . . . A 8 PRO HB3 . 17927 1 62 . 1 1 8 8 PRO HG2 H 1 1.903 0.004 . 1 . . . A 8 PRO HG2 . 17927 1 63 . 1 1 8 8 PRO HG3 H 1 1.903 0.003 . 1 . . . A 8 PRO HG3 . 17927 1 64 . 1 1 8 8 PRO HD2 H 1 3.798 0.002 . 2 . . . A 8 PRO HD2 . 17927 1 65 . 1 1 8 8 PRO HD3 H 1 3.701 0.003 . 2 . . . A 8 PRO HD3 . 17927 1 66 . 1 1 8 8 PRO C C 13 176.899 0.005 . 1 . . . A 8 PRO C . 17927 1 67 . 1 1 8 8 PRO CA C 13 63.429 0.065 . 1 . . . A 8 PRO CA . 17927 1 68 . 1 1 8 8 PRO CB C 13 32.216 0.045 . 1 . . . A 8 PRO CB . 17927 1 69 . 1 1 8 8 PRO CG C 13 27.288 0.005 . 1 . . . A 8 PRO CG . 17927 1 70 . 1 1 8 8 PRO CD C 13 50.673 0.022 . 1 . . . A 8 PRO CD . 17927 1 71 . 1 1 9 9 SER H H 1 8.336 0.002 . 1 . . . A 9 SER H . 17927 1 72 . 1 1 9 9 SER HA H 1 4.415 0.008 . 1 . . . A 9 SER HA . 17927 1 73 . 1 1 9 9 SER HB2 H 1 3.911 0.000 . 2 . . . A 9 SER HB2 . 17927 1 74 . 1 1 9 9 SER HB3 H 1 3.866 0.000 . 2 . . . A 9 SER HB3 . 17927 1 75 . 1 1 9 9 SER C C 13 174.714 0.014 . 1 . . . A 9 SER C . 17927 1 76 . 1 1 9 9 SER CA C 13 58.488 0.103 . 1 . . . A 9 SER CA . 17927 1 77 . 1 1 9 9 SER CB C 13 64.048 0.182 . 1 . . . A 9 SER CB . 17927 1 78 . 1 1 9 9 SER N N 15 115.642 0.025 . 1 . . . A 9 SER N . 17927 1 79 . 1 1 10 10 ALA H H 1 8.137 0.003 . 1 . . . A 10 ALA H . 17927 1 80 . 1 1 10 10 ALA HA H 1 4.262 0.006 . 1 . . . A 10 ALA HA . 17927 1 81 . 1 1 10 10 ALA HB1 H 1 1.354 0.008 . 1 . . . A 10 ALA HB1 . 17927 1 82 . 1 1 10 10 ALA HB2 H 1 1.354 0.008 . 1 . . . A 10 ALA HB2 . 17927 1 83 . 1 1 10 10 ALA HB3 H 1 1.354 0.008 . 1 . . . A 10 ALA HB3 . 17927 1 84 . 1 1 10 10 ALA C C 13 177.233 0.001 . 1 . . . A 10 ALA C . 17927 1 85 . 1 1 10 10 ALA CA C 13 53.230 0.089 . 1 . . . A 10 ALA CA . 17927 1 86 . 1 1 10 10 ALA CB C 13 19.187 0.095 . 1 . . . A 10 ALA CB . 17927 1 87 . 1 1 10 10 ALA N N 15 126.808 0.031 . 1 . . . A 10 ALA N . 17927 1 88 . 1 1 11 11 ALA H H 1 7.851 0.002 . 1 . . . A 11 ALA H . 17927 1 89 . 1 1 11 11 ALA HA H 1 4.261 0.006 . 1 . . . A 11 ALA HA . 17927 1 90 . 1 1 11 11 ALA HB1 H 1 1.337 0.010 . 1 . . . A 11 ALA HB1 . 17927 1 91 . 1 1 11 11 ALA HB2 H 1 1.337 0.010 . 1 . . . A 11 ALA HB2 . 17927 1 92 . 1 1 11 11 ALA HB3 H 1 1.337 0.010 . 1 . . . A 11 ALA HB3 . 17927 1 93 . 1 1 11 11 ALA C C 13 177.469 0.023 . 1 . . . A 11 ALA C . 17927 1 94 . 1 1 11 11 ALA CA C 13 52.475 0.126 . 1 . . . A 11 ALA CA . 17927 1 95 . 1 1 11 11 ALA CB C 13 19.485 0.065 . 1 . . . A 11 ALA CB . 17927 1 96 . 1 1 11 11 ALA N N 15 120.449 0.028 . 1 . . . A 11 ALA N . 17927 1 97 . 1 1 12 12 SER H H 1 7.990 0.003 . 1 . . . A 12 SER H . 17927 1 98 . 1 1 12 12 SER HA H 1 4.312 0.005 . 1 . . . A 12 SER HA . 17927 1 99 . 1 1 12 12 SER HB2 H 1 3.691 0.007 . 2 . . . A 12 SER HB2 . 17927 1 100 . 1 1 12 12 SER HB3 H 1 3.690 0.007 . 2 . . . A 12 SER HB3 . 17927 1 101 . 1 1 12 12 SER C C 13 173.593 0.014 . 1 . . . A 12 SER C . 17927 1 102 . 1 1 12 12 SER CA C 13 58.099 0.109 . 1 . . . A 12 SER CA . 17927 1 103 . 1 1 12 12 SER CB C 13 63.320 0.162 . 1 . . . A 12 SER CB . 17927 1 104 . 1 1 12 12 SER N N 15 114.186 0.022 . 1 . . . A 12 SER N . 17927 1 105 . 1 1 13 13 PHE H H 1 7.147 0.002 . 1 . . . A 13 PHE H . 17927 1 106 . 1 1 13 13 PHE HA H 1 4.780 0.007 . 1 . . . A 13 PHE HA . 17927 1 107 . 1 1 13 13 PHE HB2 H 1 3.189 0.006 . 2 . . . A 13 PHE HB2 . 17927 1 108 . 1 1 13 13 PHE HB3 H 1 2.996 0.008 . 2 . . . A 13 PHE HB3 . 17927 1 109 . 1 1 13 13 PHE HD1 H 1 7.266 0.005 . 3 . . . A 13 PHE HD1 . 17927 1 110 . 1 1 13 13 PHE HD2 H 1 7.266 0.005 . 3 . . . A 13 PHE HD2 . 17927 1 111 . 1 1 13 13 PHE HE1 H 1 7.136 0.009 . 3 . . . A 13 PHE HE1 . 17927 1 112 . 1 1 13 13 PHE HE2 H 1 7.136 0.009 . 3 . . . A 13 PHE HE2 . 17927 1 113 . 1 1 13 13 PHE HZ H 1 6.948 0.007 . 1 . . . A 13 PHE HZ . 17927 1 114 . 1 1 13 13 PHE C C 13 174.220 0.006 . 1 . . . A 13 PHE C . 17927 1 115 . 1 1 13 13 PHE CA C 13 56.717 0.093 . 1 . . . A 13 PHE CA . 17927 1 116 . 1 1 13 13 PHE CB C 13 41.151 0.061 . 1 . . . A 13 PHE CB . 17927 1 117 . 1 1 13 13 PHE CD1 C 13 132.916 0.025 . 3 . . . A 13 PHE CD1 . 17927 1 118 . 1 1 13 13 PHE CD2 C 13 132.916 0.025 . 3 . . . A 13 PHE CD2 . 17927 1 119 . 1 1 13 13 PHE CE1 C 13 131.326 0.000 . 3 . . . A 13 PHE CE1 . 17927 1 120 . 1 1 13 13 PHE CE2 C 13 131.326 0.000 . 3 . . . A 13 PHE CE2 . 17927 1 121 . 1 1 13 13 PHE CZ C 13 128.966 0.017 . 1 . . . A 13 PHE CZ . 17927 1 122 . 1 1 13 13 PHE N N 15 118.092 0.016 . 1 . . . A 13 PHE N . 17927 1 123 . 1 1 14 14 SER H H 1 7.616 0.005 . 1 . . . A 14 SER H . 17927 1 124 . 1 1 14 14 SER HA H 1 5.162 0.011 . 1 . . . A 14 SER HA . 17927 1 125 . 1 1 14 14 SER HB2 H 1 3.462 0.005 . 1 . . . A 14 SER HB2 . 17927 1 126 . 1 1 14 14 SER HB3 H 1 3.462 0.005 . 1 . . . A 14 SER HB3 . 17927 1 127 . 1 1 14 14 SER C C 13 172.626 0.002 . 1 . . . A 14 SER C . 17927 1 128 . 1 1 14 14 SER CA C 13 57.390 0.102 . 1 . . . A 14 SER CA . 17927 1 129 . 1 1 14 14 SER CB C 13 64.518 0.138 . 1 . . . A 14 SER CB . 17927 1 130 . 1 1 14 14 SER N N 15 116.456 0.021 . 1 . . . A 14 SER N . 17927 1 131 . 1 1 15 15 TYR H H 1 8.558 0.005 . 1 . . . A 15 TYR H . 17927 1 132 . 1 1 15 15 TYR HA H 1 5.206 0.001 . 1 . . . A 15 TYR HA . 17927 1 133 . 1 1 15 15 TYR HB2 H 1 3.216 0.011 . 2 . . . A 15 TYR HB2 . 17927 1 134 . 1 1 15 15 TYR HB3 H 1 2.205 0.006 . 2 . . . A 15 TYR HB3 . 17927 1 135 . 1 1 15 15 TYR HD1 H 1 6.942 0.010 . 3 . . . A 15 TYR HD1 . 17927 1 136 . 1 1 15 15 TYR HD2 H 1 6.942 0.010 . 3 . . . A 15 TYR HD2 . 17927 1 137 . 1 1 15 15 TYR HE1 H 1 6.647 0.005 . 3 . . . A 15 TYR HE1 . 17927 1 138 . 1 1 15 15 TYR HE2 H 1 6.647 0.005 . 3 . . . A 15 TYR HE2 . 17927 1 139 . 1 1 15 15 TYR C C 13 172.543 0.000 . 1 . . . A 15 TYR C . 17927 1 140 . 1 1 15 15 TYR CA C 13 55.946 0.052 . 1 . . . A 15 TYR CA . 17927 1 141 . 1 1 15 15 TYR CB C 13 43.227 0.060 . 1 . . . A 15 TYR CB . 17927 1 142 . 1 1 15 15 TYR CD1 C 13 133.360 0.027 . 3 . . . A 15 TYR CD1 . 17927 1 143 . 1 1 15 15 TYR CD2 C 13 133.360 0.027 . 3 . . . A 15 TYR CD2 . 17927 1 144 . 1 1 15 15 TYR CE1 C 13 117.640 0.052 . 3 . . . A 15 TYR CE1 . 17927 1 145 . 1 1 15 15 TYR CE2 C 13 117.640 0.052 . 3 . . . A 15 TYR CE2 . 17927 1 146 . 1 1 15 15 TYR N N 15 122.384 0.022 . 1 . . . A 15 TYR N . 17927 1 147 . 1 1 16 16 PRO HA H 1 5.109 0.011 . 1 . . . A 16 PRO HA . 17927 1 148 . 1 1 16 16 PRO HB2 H 1 2.157 0.010 . 1 . . . A 16 PRO HB2 . 17927 1 149 . 1 1 16 16 PRO HB3 H 1 2.157 0.010 . 1 . . . A 16 PRO HB3 . 17927 1 150 . 1 1 16 16 PRO HG2 H 1 2.459 0.007 . 2 . . . A 16 PRO HG2 . 17927 1 151 . 1 1 16 16 PRO HG3 H 1 2.258 0.004 . 2 . . . A 16 PRO HG3 . 17927 1 152 . 1 1 16 16 PRO HD2 H 1 4.531 0.010 . 2 . . . A 16 PRO HD2 . 17927 1 153 . 1 1 16 16 PRO HD3 H 1 3.919 0.007 . 2 . . . A 16 PRO HD3 . 17927 1 154 . 1 1 16 16 PRO C C 13 176.475 0.006 . 1 . . . A 16 PRO C . 17927 1 155 . 1 1 16 16 PRO CA C 13 61.981 0.057 . 1 . . . A 16 PRO CA . 17927 1 156 . 1 1 16 16 PRO CB C 13 32.662 0.100 . 1 . . . A 16 PRO CB . 17927 1 157 . 1 1 16 16 PRO CG C 13 27.531 0.030 . 1 . . . A 16 PRO CG . 17927 1 158 . 1 1 16 16 PRO CD C 13 50.474 0.027 . 1 . . . A 16 PRO CD . 17927 1 159 . 1 1 17 17 ASP H H 1 8.643 0.002 . 1 . . . A 17 ASP H . 17927 1 160 . 1 1 17 17 ASP HA H 1 5.739 0.006 . 1 . . . A 17 ASP HA . 17927 1 161 . 1 1 17 17 ASP HB2 H 1 3.672 0.007 . 2 . . . A 17 ASP HB2 . 17927 1 162 . 1 1 17 17 ASP HB3 H 1 2.733 0.009 . 2 . . . A 17 ASP HB3 . 17927 1 163 . 1 1 17 17 ASP C C 13 180.740 0.009 . 1 . . . A 17 ASP C . 17927 1 164 . 1 1 17 17 ASP CA C 13 51.717 0.083 . 1 . . . A 17 ASP CA . 17927 1 165 . 1 1 17 17 ASP CB C 13 42.561 0.062 . 1 . . . A 17 ASP CB . 17927 1 166 . 1 1 17 17 ASP N N 15 119.834 0.021 . 1 . . . A 17 ASP N . 17927 1 167 . 1 1 18 18 ILE H H 1 8.450 0.004 . 1 . . . A 18 ILE H . 17927 1 168 . 1 1 18 18 ILE HA H 1 4.451 0.008 . 1 . . . A 18 ILE HA . 17927 1 169 . 1 1 18 18 ILE HB H 1 1.773 0.009 . 1 . . . A 18 ILE HB . 17927 1 170 . 1 1 18 18 ILE HG12 H 1 1.353 0.006 . 2 . . . A 18 ILE HG12 . 17927 1 171 . 1 1 18 18 ILE HG13 H 1 1.276 0.010 . 2 . . . A 18 ILE HG13 . 17927 1 172 . 1 1 18 18 ILE HG21 H 1 0.898 0.009 . 1 . . . A 18 ILE HG21 . 17927 1 173 . 1 1 18 18 ILE HG22 H 1 0.898 0.009 . 1 . . . A 18 ILE HG22 . 17927 1 174 . 1 1 18 18 ILE HG23 H 1 0.898 0.009 . 1 . . . A 18 ILE HG23 . 17927 1 175 . 1 1 18 18 ILE HD11 H 1 0.480 0.006 . 1 . . . A 18 ILE HD11 . 17927 1 176 . 1 1 18 18 ILE HD12 H 1 0.480 0.006 . 1 . . . A 18 ILE HD12 . 17927 1 177 . 1 1 18 18 ILE HD13 H 1 0.480 0.006 . 1 . . . A 18 ILE HD13 . 17927 1 178 . 1 1 18 18 ILE C C 13 175.742 0.040 . 1 . . . A 18 ILE C . 17927 1 179 . 1 1 18 18 ILE CA C 13 61.894 0.088 . 1 . . . A 18 ILE CA . 17927 1 180 . 1 1 18 18 ILE CB C 13 39.240 0.053 . 1 . . . A 18 ILE CB . 17927 1 181 . 1 1 18 18 ILE CG1 C 13 29.041 0.012 . 1 . . . A 18 ILE CG1 . 17927 1 182 . 1 1 18 18 ILE CG2 C 13 17.413 0.018 . 1 . . . A 18 ILE CG2 . 17927 1 183 . 1 1 18 18 ILE CD1 C 13 14.926 0.012 . 1 . . . A 18 ILE CD1 . 17927 1 184 . 1 1 18 18 ILE N N 15 118.340 0.064 . 1 . . . A 18 ILE N . 17927 1 185 . 1 1 19 19 ASN H H 1 8.376 0.002 . 1 . . . A 19 ASN H . 17927 1 186 . 1 1 19 19 ASN HA H 1 5.015 0.010 . 1 . . . A 19 ASN HA . 17927 1 187 . 1 1 19 19 ASN HB2 H 1 3.051 0.007 . 2 . . . A 19 ASN HB2 . 17927 1 188 . 1 1 19 19 ASN HB3 H 1 2.948 0.014 . 2 . . . A 19 ASN HB3 . 17927 1 189 . 1 1 19 19 ASN HD21 H 1 8.144 0.005 . 1 . . . A 19 ASN HD21 . 17927 1 190 . 1 1 19 19 ASN HD22 H 1 7.019 0.002 . 1 . . . A 19 ASN HD22 . 17927 1 191 . 1 1 19 19 ASN C C 13 175.892 0.000 . 1 . . . A 19 ASN C . 17927 1 192 . 1 1 19 19 ASN CA C 13 53.307 0.105 . 1 . . . A 19 ASN CA . 17927 1 193 . 1 1 19 19 ASN CB C 13 39.825 0.116 . 1 . . . A 19 ASN CB . 17927 1 194 . 1 1 19 19 ASN N N 15 119.377 0.027 . 1 . . . A 19 ASN N . 17927 1 195 . 1 1 19 19 ASN ND2 N 15 115.884 0.018 . 1 . . . A 19 ASN ND2 . 17927 1 196 . 1 1 20 20 GLY H H 1 8.539 0.002 . 1 . . . A 20 GLY H . 17927 1 197 . 1 1 20 20 GLY HA2 H 1 3.827 0.010 . 2 . . . A 20 GLY HA2 . 17927 1 198 . 1 1 20 20 GLY HA3 H 1 4.333 0.007 . 2 . . . A 20 GLY HA3 . 17927 1 199 . 1 1 20 20 GLY C C 13 174.285 0.001 . 1 . . . A 20 GLY C . 17927 1 200 . 1 1 20 20 GLY CA C 13 45.793 0.142 . 1 . . . A 20 GLY CA . 17927 1 201 . 1 1 20 20 GLY N N 15 109.535 0.026 . 1 . . . A 20 GLY N . 17927 1 202 . 1 1 21 21 LYS H H 1 8.608 0.003 . 1 . . . A 21 LYS H . 17927 1 203 . 1 1 21 21 LYS HA H 1 4.443 0.007 . 1 . . . A 21 LYS HA . 17927 1 204 . 1 1 21 21 LYS HB2 H 1 1.981 0.011 . 2 . . . A 21 LYS HB2 . 17927 1 205 . 1 1 21 21 LYS HB3 H 1 1.868 0.014 . 2 . . . A 21 LYS HB3 . 17927 1 206 . 1 1 21 21 LYS HG2 H 1 1.478 0.001 . 2 . . . A 21 LYS HG2 . 17927 1 207 . 1 1 21 21 LYS HG3 H 1 1.315 0.005 . 2 . . . A 21 LYS HG3 . 17927 1 208 . 1 1 21 21 LYS C C 13 176.537 0.007 . 1 . . . A 21 LYS C . 17927 1 209 . 1 1 21 21 LYS CA C 13 55.444 0.104 . 1 . . . A 21 LYS CA . 17927 1 210 . 1 1 21 21 LYS CB C 13 32.754 0.106 . 1 . . . A 21 LYS CB . 17927 1 211 . 1 1 21 21 LYS CG C 13 24.890 0.000 . 1 . . . A 21 LYS CG . 17927 1 212 . 1 1 21 21 LYS N N 15 124.675 0.023 . 1 . . . A 21 LYS N . 17927 1 213 . 1 1 22 22 THR H H 1 8.595 0.003 . 1 . . . A 22 THR H . 17927 1 214 . 1 1 22 22 THR HA H 1 4.087 0.012 . 1 . . . A 22 THR HA . 17927 1 215 . 1 1 22 22 THR HB H 1 3.937 0.004 . 1 . . . A 22 THR HB . 17927 1 216 . 1 1 22 22 THR HG21 H 1 0.983 0.006 . 1 . . . A 22 THR HG21 . 17927 1 217 . 1 1 22 22 THR HG22 H 1 0.983 0.006 . 1 . . . A 22 THR HG22 . 17927 1 218 . 1 1 22 22 THR HG23 H 1 0.983 0.006 . 1 . . . A 22 THR HG23 . 17927 1 219 . 1 1 22 22 THR C C 13 174.431 0.002 . 1 . . . A 22 THR C . 17927 1 220 . 1 1 22 22 THR CA C 13 64.292 0.119 . 1 . . . A 22 THR CA . 17927 1 221 . 1 1 22 22 THR CB C 13 69.069 0.118 . 1 . . . A 22 THR CB . 17927 1 222 . 1 1 22 22 THR CG2 C 13 22.413 0.002 . 1 . . . A 22 THR CG2 . 17927 1 223 . 1 1 22 22 THR N N 15 120.666 0.021 . 1 . . . A 22 THR N . 17927 1 224 . 1 1 23 23 VAL H H 1 8.937 0.001 . 1 . . . A 23 VAL H . 17927 1 225 . 1 1 23 23 VAL HA H 1 4.192 0.007 . 1 . . . A 23 VAL HA . 17927 1 226 . 1 1 23 23 VAL HB H 1 2.229 0.013 . 1 . . . A 23 VAL HB . 17927 1 227 . 1 1 23 23 VAL HG11 H 1 0.951 0.010 . 2 . . . A 23 VAL HG11 . 17927 1 228 . 1 1 23 23 VAL HG12 H 1 0.951 0.010 . 2 . . . A 23 VAL HG12 . 17927 1 229 . 1 1 23 23 VAL HG13 H 1 0.951 0.010 . 2 . . . A 23 VAL HG13 . 17927 1 230 . 1 1 23 23 VAL HG21 H 1 1.026 0.005 . 2 . . . A 23 VAL HG21 . 17927 1 231 . 1 1 23 23 VAL HG22 H 1 1.026 0.005 . 2 . . . A 23 VAL HG22 . 17927 1 232 . 1 1 23 23 VAL HG23 H 1 1.026 0.005 . 2 . . . A 23 VAL HG23 . 17927 1 233 . 1 1 23 23 VAL C C 13 174.244 0.021 . 1 . . . A 23 VAL C . 17927 1 234 . 1 1 23 23 VAL CA C 13 62.456 0.101 . 1 . . . A 23 VAL CA . 17927 1 235 . 1 1 23 23 VAL CB C 13 33.791 0.047 . 1 . . . A 23 VAL CB . 17927 1 236 . 1 1 23 23 VAL CG1 C 13 20.568 0.007 . 2 . . . A 23 VAL CG1 . 17927 1 237 . 1 1 23 23 VAL CG2 C 13 21.432 0.010 . 2 . . . A 23 VAL CG2 . 17927 1 238 . 1 1 23 23 VAL N N 15 131.207 0.048 . 1 . . . A 23 VAL N . 17927 1 239 . 1 1 24 24 SER H H 1 8.554 0.003 . 1 . . . A 24 SER H . 17927 1 240 . 1 1 24 24 SER HA H 1 5.407 0.006 . 1 . . . A 24 SER HA . 17927 1 241 . 1 1 24 24 SER HB2 H 1 3.825 0.011 . 2 . . . A 24 SER HB2 . 17927 1 242 . 1 1 24 24 SER HB3 H 1 3.769 0.006 . 2 . . . A 24 SER HB3 . 17927 1 243 . 1 1 24 24 SER C C 13 176.169 0.017 . 1 . . . A 24 SER C . 17927 1 244 . 1 1 24 24 SER CA C 13 55.135 0.116 . 1 . . . A 24 SER CA . 17927 1 245 . 1 1 24 24 SER CB C 13 65.646 0.116 . 1 . . . A 24 SER CB . 17927 1 246 . 1 1 24 24 SER N N 15 120.787 0.026 . 1 . . . A 24 SER N . 17927 1 247 . 1 1 25 25 LEU H H 1 7.811 0.006 . 1 . . . A 25 LEU H . 17927 1 248 . 1 1 25 25 LEU HA H 1 3.687 0.007 . 1 . . . A 25 LEU HA . 17927 1 249 . 1 1 25 25 LEU HB2 H 1 1.195 0.011 . 2 . . . A 25 LEU HB2 . 17927 1 250 . 1 1 25 25 LEU HB3 H 1 1.528 0.012 . 2 . . . A 25 LEU HB3 . 17927 1 251 . 1 1 25 25 LEU HD11 H 1 0.937 0.014 . 2 . . . A 25 LEU HD11 . 17927 1 252 . 1 1 25 25 LEU HD12 H 1 0.937 0.014 . 2 . . . A 25 LEU HD12 . 17927 1 253 . 1 1 25 25 LEU HD13 H 1 0.937 0.014 . 2 . . . A 25 LEU HD13 . 17927 1 254 . 1 1 25 25 LEU HD21 H 1 0.888 0.009 . 2 . . . A 25 LEU HD21 . 17927 1 255 . 1 1 25 25 LEU HD22 H 1 0.888 0.009 . 2 . . . A 25 LEU HD22 . 17927 1 256 . 1 1 25 25 LEU HD23 H 1 0.888 0.009 . 2 . . . A 25 LEU HD23 . 17927 1 257 . 1 1 25 25 LEU C C 13 179.364 0.001 . 1 . . . A 25 LEU C . 17927 1 258 . 1 1 25 25 LEU CA C 13 58.217 0.094 . 1 . . . A 25 LEU CA . 17927 1 259 . 1 1 25 25 LEU CB C 13 40.538 0.082 . 1 . . . A 25 LEU CB . 17927 1 260 . 1 1 25 25 LEU CD1 C 13 24.834 0.021 . 2 . . . A 25 LEU CD1 . 17927 1 261 . 1 1 25 25 LEU CD2 C 13 24.937 0.031 . 2 . . . A 25 LEU CD2 . 17927 1 262 . 1 1 25 25 LEU N N 15 124.332 0.020 . 1 . . . A 25 LEU N . 17927 1 263 . 1 1 26 26 ALA H H 1 8.099 0.002 . 1 . . . A 26 ALA H . 17927 1 264 . 1 1 26 26 ALA HA H 1 3.993 0.008 . 1 . . . A 26 ALA HA . 17927 1 265 . 1 1 26 26 ALA HB1 H 1 1.366 0.006 . 1 . . . A 26 ALA HB1 . 17927 1 266 . 1 1 26 26 ALA HB2 H 1 1.366 0.006 . 1 . . . A 26 ALA HB2 . 17927 1 267 . 1 1 26 26 ALA HB3 H 1 1.366 0.006 . 1 . . . A 26 ALA HB3 . 17927 1 268 . 1 1 26 26 ALA C C 13 179.719 0.011 . 1 . . . A 26 ALA C . 17927 1 269 . 1 1 26 26 ALA CA C 13 54.663 0.106 . 1 . . . A 26 ALA CA . 17927 1 270 . 1 1 26 26 ALA CB C 13 18.323 0.082 . 1 . . . A 26 ALA CB . 17927 1 271 . 1 1 26 26 ALA N N 15 119.799 0.062 . 1 . . . A 26 ALA N . 17927 1 272 . 1 1 27 27 ASP H H 1 7.572 0.001 . 1 . . . A 27 ASP H . 17927 1 273 . 1 1 27 27 ASP HA H 1 4.473 0.007 . 1 . . . A 27 ASP HA . 17927 1 274 . 1 1 27 27 ASP HB2 H 1 2.984 0.014 . 2 . . . A 27 ASP HB2 . 17927 1 275 . 1 1 27 27 ASP HB3 H 1 2.836 0.006 . 2 . . . A 27 ASP HB3 . 17927 1 276 . 1 1 27 27 ASP C C 13 176.915 0.008 . 1 . . . A 27 ASP C . 17927 1 277 . 1 1 27 27 ASP CA C 13 56.251 0.110 . 1 . . . A 27 ASP CA . 17927 1 278 . 1 1 27 27 ASP CB C 13 40.788 0.102 . 1 . . . A 27 ASP CB . 17927 1 279 . 1 1 27 27 ASP N N 15 116.553 0.014 . 1 . . . A 27 ASP N . 17927 1 280 . 1 1 28 28 LEU H H 1 7.363 0.002 . 1 . . . A 28 LEU H . 17927 1 281 . 1 1 28 28 LEU HA H 1 4.233 0.007 . 1 . . . A 28 LEU HA . 17927 1 282 . 1 1 28 28 LEU HB2 H 1 1.746 0.011 . 2 . . . A 28 LEU HB2 . 17927 1 283 . 1 1 28 28 LEU HB3 H 1 1.516 0.006 . 2 . . . A 28 LEU HB3 . 17927 1 284 . 1 1 28 28 LEU HG H 1 1.520 0.007 . 1 . . . A 28 LEU HG . 17927 1 285 . 1 1 28 28 LEU HD11 H 1 0.658 0.006 . 2 . . . A 28 LEU HD11 . 17927 1 286 . 1 1 28 28 LEU HD12 H 1 0.658 0.006 . 2 . . . A 28 LEU HD12 . 17927 1 287 . 1 1 28 28 LEU HD13 H 1 0.658 0.006 . 2 . . . A 28 LEU HD13 . 17927 1 288 . 1 1 28 28 LEU HD21 H 1 0.065 0.009 . 2 . . . A 28 LEU HD21 . 17927 1 289 . 1 1 28 28 LEU HD22 H 1 0.065 0.009 . 2 . . . A 28 LEU HD22 . 17927 1 290 . 1 1 28 28 LEU HD23 H 1 0.065 0.009 . 2 . . . A 28 LEU HD23 . 17927 1 291 . 1 1 28 28 LEU C C 13 175.542 0.012 . 1 . . . A 28 LEU C . 17927 1 292 . 1 1 28 28 LEU CA C 13 53.706 0.095 . 1 . . . A 28 LEU CA . 17927 1 293 . 1 1 28 28 LEU CB C 13 41.049 0.090 . 1 . . . A 28 LEU CB . 17927 1 294 . 1 1 28 28 LEU CG C 13 26.146 0.000 . 1 . . . A 28 LEU CG . 17927 1 295 . 1 1 28 28 LEU CD1 C 13 26.579 0.011 . 2 . . . A 28 LEU CD1 . 17927 1 296 . 1 1 28 28 LEU CD2 C 13 20.460 0.008 . 2 . . . A 28 LEU CD2 . 17927 1 297 . 1 1 28 28 LEU N N 15 118.950 0.016 . 1 . . . A 28 LEU N . 17927 1 298 . 1 1 29 29 LYS H H 1 6.780 0.001 . 1 . . . A 29 LYS H . 17927 1 299 . 1 1 29 29 LYS HA H 1 4.352 0.009 . 1 . . . A 29 LYS HA . 17927 1 300 . 1 1 29 29 LYS HB2 H 1 1.862 0.009 . 1 . . . A 29 LYS HB2 . 17927 1 301 . 1 1 29 29 LYS HB3 H 1 1.862 0.009 . 1 . . . A 29 LYS HB3 . 17927 1 302 . 1 1 29 29 LYS HG2 H 1 1.628 0.008 . 2 . . . A 29 LYS HG2 . 17927 1 303 . 1 1 29 29 LYS HG3 H 1 1.433 0.009 . 2 . . . A 29 LYS HG3 . 17927 1 304 . 1 1 29 29 LYS HD2 H 1 1.763 0.008 . 1 . . . A 29 LYS HD2 . 17927 1 305 . 1 1 29 29 LYS HD3 H 1 1.764 0.008 . 1 . . . A 29 LYS HD3 . 17927 1 306 . 1 1 29 29 LYS HE2 H 1 3.015 0.003 . 1 . . . A 29 LYS HE2 . 17927 1 307 . 1 1 29 29 LYS HE3 H 1 3.015 0.003 . 1 . . . A 29 LYS HE3 . 17927 1 308 . 1 1 29 29 LYS C C 13 178.063 0.011 . 1 . . . A 29 LYS C . 17927 1 309 . 1 1 29 29 LYS CA C 13 57.777 0.112 . 1 . . . A 29 LYS CA . 17927 1 310 . 1 1 29 29 LYS CB C 13 33.440 0.106 . 1 . . . A 29 LYS CB . 17927 1 311 . 1 1 29 29 LYS CG C 13 25.194 0.003 . 1 . . . A 29 LYS CG . 17927 1 312 . 1 1 29 29 LYS CD C 13 29.500 0.020 . 1 . . . A 29 LYS CD . 17927 1 313 . 1 1 29 29 LYS CE C 13 41.962 0.000 . 1 . . . A 29 LYS CE . 17927 1 314 . 1 1 29 29 LYS N N 15 118.429 0.016 . 1 . . . A 29 LYS N . 17927 1 315 . 1 1 30 30 GLY H H 1 9.398 0.003 . 1 . . . A 30 GLY H . 17927 1 316 . 1 1 30 30 GLY HA2 H 1 3.663 0.003 . 2 . . . A 30 GLY HA2 . 17927 1 317 . 1 1 30 30 GLY HA3 H 1 4.647 0.007 . 2 . . . A 30 GLY HA3 . 17927 1 318 . 1 1 30 30 GLY C C 13 173.801 0.003 . 1 . . . A 30 GLY C . 17927 1 319 . 1 1 30 30 GLY CA C 13 44.611 0.114 . 1 . . . A 30 GLY CA . 17927 1 320 . 1 1 30 30 GLY N N 15 112.426 0.018 . 1 . . . A 30 GLY N . 17927 1 321 . 1 1 31 31 LYS H H 1 7.496 0.001 . 1 . . . A 31 LYS H . 17927 1 322 . 1 1 31 31 LYS HA H 1 4.152 0.008 . 1 . . . A 31 LYS HA . 17927 1 323 . 1 1 31 31 LYS HB2 H 1 1.287 0.014 . 2 . . . A 31 LYS HB2 . 17927 1 324 . 1 1 31 31 LYS HB3 H 1 1.196 0.014 . 2 . . . A 31 LYS HB3 . 17927 1 325 . 1 1 31 31 LYS HD2 H 1 1.072 0.003 . 2 . . . A 31 LYS HD2 . 17927 1 326 . 1 1 31 31 LYS HD3 H 1 0.735 0.013 . 2 . . . A 31 LYS HD3 . 17927 1 327 . 1 1 31 31 LYS HE2 H 1 2.869 0.006 . 1 . . . A 31 LYS HE2 . 17927 1 328 . 1 1 31 31 LYS HE3 H 1 2.869 0.006 . 1 . . . A 31 LYS HE3 . 17927 1 329 . 1 1 31 31 LYS C C 13 173.862 0.008 . 1 . . . A 31 LYS C . 17927 1 330 . 1 1 31 31 LYS CA C 13 55.188 0.111 . 1 . . . A 31 LYS CA . 17927 1 331 . 1 1 31 31 LYS CB C 13 36.968 0.075 . 1 . . . A 31 LYS CB . 17927 1 332 . 1 1 31 31 LYS CD C 13 29.038 0.000 . 1 . . . A 31 LYS CD . 17927 1 333 . 1 1 31 31 LYS CE C 13 41.864 0.000 . 1 . . . A 31 LYS CE . 17927 1 334 . 1 1 31 31 LYS N N 15 119.295 0.014 . 1 . . . A 31 LYS N . 17927 1 335 . 1 1 32 32 TYR H H 1 7.521 0.003 . 1 . . . A 32 TYR H . 17927 1 336 . 1 1 32 32 TYR HA H 1 4.157 0.012 . 1 . . . A 32 TYR HA . 17927 1 337 . 1 1 32 32 TYR HB2 H 1 2.856 0.014 . 2 . . . A 32 TYR HB2 . 17927 1 338 . 1 1 32 32 TYR HB3 H 1 2.581 0.010 . 2 . . . A 32 TYR HB3 . 17927 1 339 . 1 1 32 32 TYR HD1 H 1 7.384 0.010 . 3 . . . A 32 TYR HD1 . 17927 1 340 . 1 1 32 32 TYR HD2 H 1 7.384 0.010 . 3 . . . A 32 TYR HD2 . 17927 1 341 . 1 1 32 32 TYR HE1 H 1 6.834 0.008 . 3 . . . A 32 TYR HE1 . 17927 1 342 . 1 1 32 32 TYR HE2 H 1 6.834 0.008 . 3 . . . A 32 TYR HE2 . 17927 1 343 . 1 1 32 32 TYR C C 13 175.226 0.008 . 1 . . . A 32 TYR C . 17927 1 344 . 1 1 32 32 TYR CA C 13 60.590 0.075 . 1 . . . A 32 TYR CA . 17927 1 345 . 1 1 32 32 TYR CB C 13 39.121 0.080 . 1 . . . A 32 TYR CB . 17927 1 346 . 1 1 32 32 TYR CD1 C 13 133.029 0.039 . 3 . . . A 32 TYR CD1 . 17927 1 347 . 1 1 32 32 TYR CD2 C 13 133.029 0.039 . 3 . . . A 32 TYR CD2 . 17927 1 348 . 1 1 32 32 TYR CE1 C 13 118.237 0.041 . 3 . . . A 32 TYR CE1 . 17927 1 349 . 1 1 32 32 TYR CE2 C 13 118.237 0.041 . 3 . . . A 32 TYR CE2 . 17927 1 350 . 1 1 32 32 TYR N N 15 116.984 0.020 . 1 . . . A 32 TYR N . 17927 1 351 . 1 1 33 33 ILE H H 1 8.467 0.003 . 1 . . . A 33 ILE H . 17927 1 352 . 1 1 33 33 ILE HA H 1 4.907 0.009 . 1 . . . A 33 ILE HA . 17927 1 353 . 1 1 33 33 ILE HB H 1 1.802 0.017 . 1 . . . A 33 ILE HB . 17927 1 354 . 1 1 33 33 ILE HG21 H 1 0.881 0.004 . 1 . . . A 33 ILE HG21 . 17927 1 355 . 1 1 33 33 ILE HG22 H 1 0.881 0.004 . 1 . . . A 33 ILE HG22 . 17927 1 356 . 1 1 33 33 ILE HG23 H 1 0.881 0.004 . 1 . . . A 33 ILE HG23 . 17927 1 357 . 1 1 33 33 ILE HD11 H 1 0.948 0.013 . 1 . . . A 33 ILE HD11 . 17927 1 358 . 1 1 33 33 ILE HD12 H 1 0.948 0.013 . 1 . . . A 33 ILE HD12 . 17927 1 359 . 1 1 33 33 ILE HD13 H 1 0.948 0.013 . 1 . . . A 33 ILE HD13 . 17927 1 360 . 1 1 33 33 ILE C C 13 174.308 0.011 . 1 . . . A 33 ILE C . 17927 1 361 . 1 1 33 33 ILE CA C 13 60.702 0.059 . 1 . . . A 33 ILE CA . 17927 1 362 . 1 1 33 33 ILE CB C 13 41.616 0.040 . 1 . . . A 33 ILE CB . 17927 1 363 . 1 1 33 33 ILE CG2 C 13 19.144 0.013 . 1 . . . A 33 ILE CG2 . 17927 1 364 . 1 1 33 33 ILE CD1 C 13 16.334 0.028 . 1 . . . A 33 ILE CD1 . 17927 1 365 . 1 1 33 33 ILE N N 15 118.052 0.037 . 1 . . . A 33 ILE N . 17927 1 366 . 1 1 34 34 TYR H H 1 8.905 0.001 . 1 . . . A 34 TYR H . 17927 1 367 . 1 1 34 34 TYR HA H 1 5.526 0.010 . 1 . . . A 34 TYR HA . 17927 1 368 . 1 1 34 34 TYR HB2 H 1 2.867 0.011 . 2 . . . A 34 TYR HB2 . 17927 1 369 . 1 1 34 34 TYR HB3 H 1 2.320 0.010 . 2 . . . A 34 TYR HB3 . 17927 1 370 . 1 1 34 34 TYR HD1 H 1 7.394 0.010 . 3 . . . A 34 TYR HD1 . 17927 1 371 . 1 1 34 34 TYR HD2 H 1 7.394 0.010 . 3 . . . A 34 TYR HD2 . 17927 1 372 . 1 1 34 34 TYR HE1 H 1 6.647 0.008 . 3 . . . A 34 TYR HE1 . 17927 1 373 . 1 1 34 34 TYR HE2 H 1 6.647 0.008 . 3 . . . A 34 TYR HE2 . 17927 1 374 . 1 1 34 34 TYR C C 13 174.245 0.000 . 1 . . . A 34 TYR C . 17927 1 375 . 1 1 34 34 TYR CA C 13 56.158 0.042 . 1 . . . A 34 TYR CA . 17927 1 376 . 1 1 34 34 TYR CB C 13 40.133 0.079 . 1 . . . A 34 TYR CB . 17927 1 377 . 1 1 34 34 TYR CD1 C 13 133.046 0.034 . 3 . . . A 34 TYR CD1 . 17927 1 378 . 1 1 34 34 TYR CD2 C 13 133.046 0.034 . 3 . . . A 34 TYR CD2 . 17927 1 379 . 1 1 34 34 TYR CE1 C 13 117.616 0.047 . 3 . . . A 34 TYR CE1 . 17927 1 380 . 1 1 34 34 TYR CE2 C 13 117.616 0.047 . 3 . . . A 34 TYR CE2 . 17927 1 381 . 1 1 34 34 TYR N N 15 130.242 0.020 . 1 . . . A 34 TYR N . 17927 1 382 . 1 1 35 35 ILE H H 1 9.445 0.002 . 1 . . . A 35 ILE H . 17927 1 383 . 1 1 35 35 ILE HA H 1 5.342 0.010 . 1 . . . A 35 ILE HA . 17927 1 384 . 1 1 35 35 ILE HB H 1 1.666 0.007 . 1 . . . A 35 ILE HB . 17927 1 385 . 1 1 35 35 ILE HG12 H 1 0.660 0.007 . 2 . . . A 35 ILE HG12 . 17927 1 386 . 1 1 35 35 ILE HG13 H 1 1.661 0.011 . 2 . . . A 35 ILE HG13 . 17927 1 387 . 1 1 35 35 ILE HG21 H 1 0.589 0.007 . 1 . . . A 35 ILE HG21 . 17927 1 388 . 1 1 35 35 ILE HG22 H 1 0.589 0.007 . 1 . . . A 35 ILE HG22 . 17927 1 389 . 1 1 35 35 ILE HG23 H 1 0.589 0.007 . 1 . . . A 35 ILE HG23 . 17927 1 390 . 1 1 35 35 ILE HD11 H 1 0.769 0.008 . 1 . . . A 35 ILE HD11 . 17927 1 391 . 1 1 35 35 ILE HD12 H 1 0.769 0.008 . 1 . . . A 35 ILE HD12 . 17927 1 392 . 1 1 35 35 ILE HD13 H 1 0.769 0.008 . 1 . . . A 35 ILE HD13 . 17927 1 393 . 1 1 35 35 ILE C C 13 174.520 0.030 . 1 . . . A 35 ILE C . 17927 1 394 . 1 1 35 35 ILE CA C 13 59.749 0.059 . 1 . . . A 35 ILE CA . 17927 1 395 . 1 1 35 35 ILE CB C 13 40.899 0.058 . 1 . . . A 35 ILE CB . 17927 1 396 . 1 1 35 35 ILE CG1 C 13 29.098 0.006 . 1 . . . A 35 ILE CG1 . 17927 1 397 . 1 1 35 35 ILE CG2 C 13 17.652 0.014 . 1 . . . A 35 ILE CG2 . 17927 1 398 . 1 1 35 35 ILE CD1 C 13 14.118 0.010 . 1 . . . A 35 ILE CD1 . 17927 1 399 . 1 1 35 35 ILE N N 15 128.697 0.025 . 1 . . . A 35 ILE N . 17927 1 400 . 1 1 36 36 ASP H H 1 8.875 0.001 . 1 . . . A 36 ASP H . 17927 1 401 . 1 1 36 36 ASP HA H 1 4.848 0.007 . 1 . . . A 36 ASP HA . 17927 1 402 . 1 1 36 36 ASP HB2 H 1 3.011 0.009 . 2 . . . A 36 ASP HB2 . 17927 1 403 . 1 1 36 36 ASP HB3 H 1 2.465 0.008 . 2 . . . A 36 ASP HB3 . 17927 1 404 . 1 1 36 36 ASP C C 13 174.385 0.006 . 1 . . . A 36 ASP C . 17927 1 405 . 1 1 36 36 ASP CA C 13 51.294 0.098 . 1 . . . A 36 ASP CA . 17927 1 406 . 1 1 36 36 ASP CB C 13 41.778 0.070 . 1 . . . A 36 ASP CB . 17927 1 407 . 1 1 36 36 ASP N N 15 123.675 0.032 . 1 . . . A 36 ASP N . 17927 1 408 . 1 1 37 37 VAL H H 1 8.603 0.004 . 1 . . . A 37 VAL H . 17927 1 409 . 1 1 37 37 VAL HA H 1 4.959 0.009 . 1 . . . A 37 VAL HA . 17927 1 410 . 1 1 37 37 VAL HB H 1 1.973 0.011 . 1 . . . A 37 VAL HB . 17927 1 411 . 1 1 37 37 VAL HG11 H 1 0.875 0.011 . 2 . . . A 37 VAL HG11 . 17927 1 412 . 1 1 37 37 VAL HG12 H 1 0.875 0.011 . 2 . . . A 37 VAL HG12 . 17927 1 413 . 1 1 37 37 VAL HG13 H 1 0.875 0.011 . 2 . . . A 37 VAL HG13 . 17927 1 414 . 1 1 37 37 VAL HG21 H 1 0.794 0.009 . 2 . . . A 37 VAL HG21 . 17927 1 415 . 1 1 37 37 VAL HG22 H 1 0.794 0.009 . 2 . . . A 37 VAL HG22 . 17927 1 416 . 1 1 37 37 VAL HG23 H 1 0.794 0.009 . 2 . . . A 37 VAL HG23 . 17927 1 417 . 1 1 37 37 VAL C C 13 175.046 0.001 . 1 . . . A 37 VAL C . 17927 1 418 . 1 1 37 37 VAL CA C 13 62.245 0.075 . 1 . . . A 37 VAL CA . 17927 1 419 . 1 1 37 37 VAL CB C 13 31.807 0.035 . 1 . . . A 37 VAL CB . 17927 1 420 . 1 1 37 37 VAL CG1 C 13 21.939 0.005 . 2 . . . A 37 VAL CG1 . 17927 1 421 . 1 1 37 37 VAL CG2 C 13 21.820 0.013 . 2 . . . A 37 VAL CG2 . 17927 1 422 . 1 1 37 37 VAL N N 15 127.159 0.081 . 1 . . . A 37 VAL N . 17927 1 423 . 1 1 38 38 TRP H H 1 8.562 0.002 . 1 . . . A 38 TRP H . 17927 1 424 . 1 1 38 38 TRP HA H 1 5.237 0.008 . 1 . . . A 38 TRP HA . 17927 1 425 . 1 1 38 38 TRP HB2 H 1 3.191 0.014 . 2 . . . A 38 TRP HB2 . 17927 1 426 . 1 1 38 38 TRP HB3 H 1 3.104 0.009 . 2 . . . A 38 TRP HB3 . 17927 1 427 . 1 1 38 38 TRP HD1 H 1 7.067 0.009 . 1 . . . A 38 TRP HD1 . 17927 1 428 . 1 1 38 38 TRP HE1 H 1 10.741 0.002 . 1 . . . A 38 TRP HE1 . 17927 1 429 . 1 1 38 38 TRP HE3 H 1 7.007 0.000 . 1 . . . A 38 TRP HE3 . 17927 1 430 . 1 1 38 38 TRP HZ2 H 1 7.105 0.009 . 1 . . . A 38 TRP HZ2 . 17927 1 431 . 1 1 38 38 TRP HZ3 H 1 7.060 0.000 . 1 . . . A 38 TRP HZ3 . 17927 1 432 . 1 1 38 38 TRP HH2 H 1 6.844 0.006 . 1 . . . A 38 TRP HH2 . 17927 1 433 . 1 1 38 38 TRP C C 13 171.995 0.010 . 1 . . . A 38 TRP C . 17927 1 434 . 1 1 38 38 TRP CA C 13 55.207 0.052 . 1 . . . A 38 TRP CA . 17927 1 435 . 1 1 38 38 TRP CB C 13 33.187 0.060 . 1 . . . A 38 TRP CB . 17927 1 436 . 1 1 38 38 TRP CD1 C 13 125.682 0.035 . 1 . . . A 38 TRP CD1 . 17927 1 437 . 1 1 38 38 TRP CE3 C 13 121.615 0.000 . 1 . . . A 38 TRP CE3 . 17927 1 438 . 1 1 38 38 TRP CZ2 C 13 113.895 0.065 . 1 . . . A 38 TRP CZ2 . 17927 1 439 . 1 1 38 38 TRP CZ3 C 13 122.052 0.000 . 1 . . . A 38 TRP CZ3 . 17927 1 440 . 1 1 38 38 TRP CH2 C 13 124.054 0.028 . 1 . . . A 38 TRP CH2 . 17927 1 441 . 1 1 38 38 TRP N N 15 124.161 0.030 . 1 . . . A 38 TRP N . 17927 1 442 . 1 1 38 38 TRP NE1 N 15 130.972 0.027 . 1 . . . A 38 TRP NE1 . 17927 1 443 . 1 1 39 39 ALA H H 1 6.757 0.001 . 1 . . . A 39 ALA H . 17927 1 444 . 1 1 39 39 ALA HA H 1 3.678 0.014 . 1 . . . A 39 ALA HA . 17927 1 445 . 1 1 39 39 ALA HB1 H 1 0.327 0.009 . 1 . . . A 39 ALA HB1 . 17927 1 446 . 1 1 39 39 ALA HB2 H 1 0.327 0.009 . 1 . . . A 39 ALA HB2 . 17927 1 447 . 1 1 39 39 ALA HB3 H 1 0.327 0.009 . 1 . . . A 39 ALA HB3 . 17927 1 448 . 1 1 39 39 ALA C C 13 178.664 0.009 . 1 . . . A 39 ALA C . 17927 1 449 . 1 1 39 39 ALA CA C 13 51.466 0.124 . 1 . . . A 39 ALA CA . 17927 1 450 . 1 1 39 39 ALA CB C 13 22.341 0.057 . 1 . . . A 39 ALA CB . 17927 1 451 . 1 1 39 39 ALA N N 15 116.252 0.016 . 1 . . . A 39 ALA N . 17927 1 452 . 1 1 40 40 THR H H 1 9.639 0.001 . 1 . . . A 40 THR H . 17927 1 453 . 1 1 40 40 THR HA H 1 3.907 0.011 . 1 . . . A 40 THR HA . 17927 1 454 . 1 1 40 40 THR HB H 1 4.132 0.008 . 1 . . . A 40 THR HB . 17927 1 455 . 1 1 40 40 THR HG21 H 1 1.537 0.008 . 1 . . . A 40 THR HG21 . 17927 1 456 . 1 1 40 40 THR HG22 H 1 1.537 0.008 . 1 . . . A 40 THR HG22 . 17927 1 457 . 1 1 40 40 THR HG23 H 1 1.537 0.008 . 1 . . . A 40 THR HG23 . 17927 1 458 . 1 1 40 40 THR C C 13 175.885 0.004 . 1 . . . A 40 THR C . 17927 1 459 . 1 1 40 40 THR CA C 13 65.447 0.118 . 1 . . . A 40 THR CA . 17927 1 460 . 1 1 40 40 THR CB C 13 70.106 0.097 . 1 . . . A 40 THR CB . 17927 1 461 . 1 1 40 40 THR CG2 C 13 22.838 0.012 . 1 . . . A 40 THR CG2 . 17927 1 462 . 1 1 40 40 THR N N 15 114.321 0.018 . 1 . . . A 40 THR N . 17927 1 463 . 1 1 41 41 TRP H H 1 6.401 0.002 . 1 . . . A 41 TRP H . 17927 1 464 . 1 1 41 41 TRP HA H 1 4.563 0.007 . 1 . . . A 41 TRP HA . 17927 1 465 . 1 1 41 41 TRP HB2 H 1 3.764 0.009 . 2 . . . A 41 TRP HB2 . 17927 1 466 . 1 1 41 41 TRP HB3 H 1 3.126 0.009 . 2 . . . A 41 TRP HB3 . 17927 1 467 . 1 1 41 41 TRP HD1 H 1 7.257 0.008 . 1 . . . A 41 TRP HD1 . 17927 1 468 . 1 1 41 41 TRP HE1 H 1 10.473 0.001 . 1 . . . A 41 TRP HE1 . 17927 1 469 . 1 1 41 41 TRP HE3 H 1 7.457 0.006 . 1 . . . A 41 TRP HE3 . 17927 1 470 . 1 1 41 41 TRP HZ2 H 1 7.378 0.005 . 1 . . . A 41 TRP HZ2 . 17927 1 471 . 1 1 41 41 TRP HZ3 H 1 7.267 0.012 . 1 . . . A 41 TRP HZ3 . 17927 1 472 . 1 1 41 41 TRP HH2 H 1 7.256 0.006 . 1 . . . A 41 TRP HH2 . 17927 1 473 . 1 1 41 41 TRP C C 13 176.189 0.015 . 1 . . . A 41 TRP C . 17927 1 474 . 1 1 41 41 TRP CA C 13 54.698 0.091 . 1 . . . A 41 TRP CA . 17927 1 475 . 1 1 41 41 TRP CB C 13 29.977 0.087 . 1 . . . A 41 TRP CB . 17927 1 476 . 1 1 41 41 TRP CD1 C 13 128.363 0.016 . 1 . . . A 41 TRP CD1 . 17927 1 477 . 1 1 41 41 TRP CE3 C 13 121.651 0.000 . 1 . . . A 41 TRP CE3 . 17927 1 478 . 1 1 41 41 TRP CZ2 C 13 114.962 0.030 . 1 . . . A 41 TRP CZ2 . 17927 1 479 . 1 1 41 41 TRP CZ3 C 13 121.802 0.000 . 1 . . . A 41 TRP CZ3 . 17927 1 480 . 1 1 41 41 TRP CH2 C 13 125.499 0.031 . 1 . . . A 41 TRP CH2 . 17927 1 481 . 1 1 41 41 TRP N N 15 114.483 0.016 . 1 . . . A 41 TRP N . 17927 1 482 . 1 1 41 41 TRP NE1 N 15 131.877 0.006 . 1 . . . A 41 TRP NE1 . 17927 1 483 . 1 1 42 42 CYS H H 1 6.883 0.003 . 1 . . . A 42 CYS H . 17927 1 484 . 1 1 42 42 CYS HA H 1 4.568 0.011 . 1 . . . A 42 CYS HA . 17927 1 485 . 1 1 42 42 CYS HB2 H 1 2.394 0.011 . 2 . . . A 42 CYS HB2 . 17927 1 486 . 1 1 42 42 CYS HB3 H 1 1.503 0.012 . 2 . . . A 42 CYS HB3 . 17927 1 487 . 1 1 42 42 CYS C C 13 175.726 0.018 . 1 . . . A 42 CYS C . 17927 1 488 . 1 1 42 42 CYS CA C 13 58.700 0.063 . 1 . . . A 42 CYS CA . 17927 1 489 . 1 1 42 42 CYS CB C 13 27.121 0.036 . 1 . . . A 42 CYS CB . 17927 1 490 . 1 1 42 42 CYS N N 15 123.536 0.018 . 1 . . . A 42 CYS N . 17927 1 491 . 1 1 43 43 GLY H H 1 9.653 0.003 . 1 . . . A 43 GLY H . 17927 1 492 . 1 1 43 43 GLY HA2 H 1 4.398 0.005 . 2 . . . A 43 GLY HA2 . 17927 1 493 . 1 1 43 43 GLY HA3 H 1 3.915 0.005 . 2 . . . A 43 GLY HA3 . 17927 1 494 . 1 1 43 43 GLY CA C 13 49.204 0.099 . 1 . . . A 43 GLY CA . 17927 1 495 . 1 1 43 43 GLY N N 15 120.977 0.021 . 1 . . . A 43 GLY N . 17927 1 496 . 1 1 44 44 PRO HA H 1 4.487 0.008 . 1 . . . A 44 PRO HA . 17927 1 497 . 1 1 44 44 PRO HB2 H 1 2.577 0.003 . 2 . . . A 44 PRO HB2 . 17927 1 498 . 1 1 44 44 PRO HB3 H 1 1.900 0.010 . 2 . . . A 44 PRO HB3 . 17927 1 499 . 1 1 44 44 PRO HG2 H 1 2.314 0.013 . 2 . . . A 44 PRO HG2 . 17927 1 500 . 1 1 44 44 PRO HG3 H 1 2.120 0.005 . 2 . . . A 44 PRO HG3 . 17927 1 501 . 1 1 44 44 PRO HD2 H 1 4.672 0.003 . 2 . . . A 44 PRO HD2 . 17927 1 502 . 1 1 44 44 PRO HD3 H 1 3.792 0.004 . 2 . . . A 44 PRO HD3 . 17927 1 503 . 1 1 44 44 PRO C C 13 179.956 0.031 . 1 . . . A 44 PRO C . 17927 1 504 . 1 1 44 44 PRO CA C 13 65.642 0.045 . 1 . . . A 44 PRO CA . 17927 1 505 . 1 1 44 44 PRO CB C 13 32.578 0.060 . 1 . . . A 44 PRO CB . 17927 1 506 . 1 1 44 44 PRO CG C 13 28.066 0.015 . 1 . . . A 44 PRO CG . 17927 1 507 . 1 1 44 44 PRO CD C 13 51.664 0.030 . 1 . . . A 44 PRO CD . 17927 1 508 . 1 1 45 45 CYS H H 1 7.676 0.002 . 1 . . . A 45 CYS H . 17927 1 509 . 1 1 45 45 CYS HA H 1 4.313 0.006 . 1 . . . A 45 CYS HA . 17927 1 510 . 1 1 45 45 CYS HB2 H 1 3.365 0.010 . 2 . . . A 45 CYS HB2 . 17927 1 511 . 1 1 45 45 CYS HB3 H 1 3.827 0.011 . 2 . . . A 45 CYS HB3 . 17927 1 512 . 1 1 45 45 CYS C C 13 178.325 0.006 . 1 . . . A 45 CYS C . 17927 1 513 . 1 1 45 45 CYS CA C 13 63.392 0.037 . 1 . . . A 45 CYS CA . 17927 1 514 . 1 1 45 45 CYS CB C 13 28.505 0.074 . 1 . . . A 45 CYS CB . 17927 1 515 . 1 1 45 45 CYS N N 15 113.925 0.037 . 1 . . . A 45 CYS N . 17927 1 516 . 1 1 46 46 ARG H H 1 8.109 0.002 . 1 . . . A 46 ARG H . 17927 1 517 . 1 1 46 46 ARG HA H 1 4.069 0.012 . 1 . . . A 46 ARG HA . 17927 1 518 . 1 1 46 46 ARG HB2 H 1 2.042 0.015 . 2 . . . A 46 ARG HB2 . 17927 1 519 . 1 1 46 46 ARG HB3 H 1 2.222 0.011 . 2 . . . A 46 ARG HB3 . 17927 1 520 . 1 1 46 46 ARG HG2 H 1 2.053 0.011 . 2 . . . A 46 ARG HG2 . 17927 1 521 . 1 1 46 46 ARG HG3 H 1 1.503 0.009 . 2 . . . A 46 ARG HG3 . 17927 1 522 . 1 1 46 46 ARG HD2 H 1 3.642 0.003 . 2 . . . A 46 ARG HD2 . 17927 1 523 . 1 1 46 46 ARG HD3 H 1 3.425 0.001 . 2 . . . A 46 ARG HD3 . 17927 1 524 . 1 1 46 46 ARG HE H 1 7.023 0.008 . 1 . . . A 46 ARG HE . 17927 1 525 . 1 1 46 46 ARG C C 13 180.446 0.014 . 1 . . . A 46 ARG C . 17927 1 526 . 1 1 46 46 ARG CA C 13 59.785 0.110 . 1 . . . A 46 ARG CA . 17927 1 527 . 1 1 46 46 ARG CB C 13 29.868 0.090 . 1 . . . A 46 ARG CB . 17927 1 528 . 1 1 46 46 ARG CG C 13 28.286 0.035 . 1 . . . A 46 ARG CG . 17927 1 529 . 1 1 46 46 ARG CD C 13 43.320 0.013 . 1 . . . A 46 ARG CD . 17927 1 530 . 1 1 46 46 ARG N N 15 120.336 0.063 . 1 . . . A 46 ARG N . 17927 1 531 . 1 1 46 46 ARG NE N 15 84.960 0.039 . 1 . . . A 46 ARG NE . 17927 1 532 . 1 1 47 47 GLY H H 1 8.466 0.002 . 1 . . . A 47 GLY H . 17927 1 533 . 1 1 47 47 GLY HA2 H 1 4.057 0.009 . 1 . . . A 47 GLY HA2 . 17927 1 534 . 1 1 47 47 GLY HA3 H 1 4.057 0.009 . 1 . . . A 47 GLY HA3 . 17927 1 535 . 1 1 47 47 GLY C C 13 175.258 0.006 . 1 . . . A 47 GLY C . 17927 1 536 . 1 1 47 47 GLY CA C 13 46.594 0.103 . 1 . . . A 47 GLY CA . 17927 1 537 . 1 1 47 47 GLY N N 15 105.408 0.029 . 1 . . . A 47 GLY N . 17927 1 538 . 1 1 48 48 GLU H H 1 7.050 0.002 . 1 . . . A 48 GLU H . 17927 1 539 . 1 1 48 48 GLU HA H 1 4.525 0.010 . 1 . . . A 48 GLU HA . 17927 1 540 . 1 1 48 48 GLU HB2 H 1 2.516 0.007 . 2 . . . A 48 GLU HB2 . 17927 1 541 . 1 1 48 48 GLU HB3 H 1 2.012 0.012 . 2 . . . A 48 GLU HB3 . 17927 1 542 . 1 1 48 48 GLU HG2 H 1 2.610 0.013 . 2 . . . A 48 GLU HG2 . 17927 1 543 . 1 1 48 48 GLU HG3 H 1 2.400 0.009 . 2 . . . A 48 GLU HG3 . 17927 1 544 . 1 1 48 48 GLU C C 13 176.535 0.000 . 1 . . . A 48 GLU C . 17927 1 545 . 1 1 48 48 GLU CA C 13 55.792 0.129 . 1 . . . A 48 GLU CA . 17927 1 546 . 1 1 48 48 GLU CB C 13 30.982 0.080 . 1 . . . A 48 GLU CB . 17927 1 547 . 1 1 48 48 GLU CG C 13 35.979 0.002 . 1 . . . A 48 GLU CG . 17927 1 548 . 1 1 48 48 GLU N N 15 116.343 0.019 . 1 . . . A 48 GLU N . 17927 1 549 . 1 1 49 49 LEU H H 1 7.385 0.003 . 1 . . . A 49 LEU H . 17927 1 550 . 1 1 49 49 LEU HA H 1 4.152 0.009 . 1 . . . A 49 LEU HA . 17927 1 551 . 1 1 49 49 LEU HB2 H 1 2.083 0.011 . 2 . . . A 49 LEU HB2 . 17927 1 552 . 1 1 49 49 LEU HB3 H 1 1.434 0.008 . 2 . . . A 49 LEU HB3 . 17927 1 553 . 1 1 49 49 LEU HG H 1 1.913 0.008 . 1 . . . A 49 LEU HG . 17927 1 554 . 1 1 49 49 LEU HD11 H 1 0.843 0.007 . 2 . . . A 49 LEU HD11 . 17927 1 555 . 1 1 49 49 LEU HD12 H 1 0.843 0.007 . 2 . . . A 49 LEU HD12 . 17927 1 556 . 1 1 49 49 LEU HD13 H 1 0.843 0.007 . 2 . . . A 49 LEU HD13 . 17927 1 557 . 1 1 49 49 LEU HD21 H 1 0.366 0.005 . 2 . . . A 49 LEU HD21 . 17927 1 558 . 1 1 49 49 LEU HD22 H 1 0.366 0.005 . 2 . . . A 49 LEU HD22 . 17927 1 559 . 1 1 49 49 LEU HD23 H 1 0.366 0.005 . 2 . . . A 49 LEU HD23 . 17927 1 560 . 1 1 49 49 LEU C C 13 176.832 0.000 . 1 . . . A 49 LEU C . 17927 1 561 . 1 1 49 49 LEU CA C 13 59.345 0.076 . 1 . . . A 49 LEU CA . 17927 1 562 . 1 1 49 49 LEU CB C 13 38.496 0.048 . 1 . . . A 49 LEU CB . 17927 1 563 . 1 1 49 49 LEU CG C 13 26.209 0.063 . 1 . . . A 49 LEU CG . 17927 1 564 . 1 1 49 49 LEU CD1 C 13 25.892 0.014 . 2 . . . A 49 LEU CD1 . 17927 1 565 . 1 1 49 49 LEU CD2 C 13 22.194 0.010 . 2 . . . A 49 LEU CD2 . 17927 1 566 . 1 1 49 49 LEU N N 15 118.652 0.025 . 1 . . . A 49 LEU N . 17927 1 567 . 1 1 50 50 PRO HA H 1 4.253 0.008 . 1 . . . A 50 PRO HA . 17927 1 568 . 1 1 50 50 PRO HB2 H 1 2.356 0.005 . 2 . . . A 50 PRO HB2 . 17927 1 569 . 1 1 50 50 PRO HB3 H 1 1.939 0.006 . 2 . . . A 50 PRO HB3 . 17927 1 570 . 1 1 50 50 PRO HG2 H 1 2.178 0.006 . 2 . . . A 50 PRO HG2 . 17927 1 571 . 1 1 50 50 PRO HG3 H 1 1.947 0.005 . 2 . . . A 50 PRO HG3 . 17927 1 572 . 1 1 50 50 PRO HD2 H 1 3.819 0.017 . 2 . . . A 50 PRO HD2 . 17927 1 573 . 1 1 50 50 PRO HD3 H 1 3.685 0.009 . 2 . . . A 50 PRO HD3 . 17927 1 574 . 1 1 50 50 PRO C C 13 179.744 0.004 . 1 . . . A 50 PRO C . 17927 1 575 . 1 1 50 50 PRO CA C 13 66.559 0.053 . 1 . . . A 50 PRO CA . 17927 1 576 . 1 1 50 50 PRO CB C 13 30.762 0.044 . 1 . . . A 50 PRO CB . 17927 1 577 . 1 1 50 50 PRO CG C 13 28.590 0.024 . 1 . . . A 50 PRO CG . 17927 1 578 . 1 1 50 50 PRO CD C 13 50.402 0.002 . 1 . . . A 50 PRO CD . 17927 1 579 . 1 1 51 51 ALA H H 1 7.731 0.004 . 1 . . . A 51 ALA H . 17927 1 580 . 1 1 51 51 ALA HA H 1 4.145 0.010 . 1 . . . A 51 ALA HA . 17927 1 581 . 1 1 51 51 ALA HB1 H 1 1.295 0.010 . 1 . . . A 51 ALA HB1 . 17927 1 582 . 1 1 51 51 ALA HB2 H 1 1.295 0.010 . 1 . . . A 51 ALA HB2 . 17927 1 583 . 1 1 51 51 ALA HB3 H 1 1.295 0.010 . 1 . . . A 51 ALA HB3 . 17927 1 584 . 1 1 51 51 ALA C C 13 180.329 0.013 . 1 . . . A 51 ALA C . 17927 1 585 . 1 1 51 51 ALA CA C 13 54.434 0.112 . 1 . . . A 51 ALA CA . 17927 1 586 . 1 1 51 51 ALA CB C 13 18.370 0.091 . 1 . . . A 51 ALA CB . 17927 1 587 . 1 1 51 51 ALA N N 15 120.418 0.020 . 1 . . . A 51 ALA N . 17927 1 588 . 1 1 52 52 LEU H H 1 8.355 0.002 . 1 . . . A 52 LEU H . 17927 1 589 . 1 1 52 52 LEU HA H 1 3.988 0.013 . 1 . . . A 52 LEU HA . 17927 1 590 . 1 1 52 52 LEU HB2 H 1 1.987 0.010 . 2 . . . A 52 LEU HB2 . 17927 1 591 . 1 1 52 52 LEU HB3 H 1 1.465 0.011 . 2 . . . A 52 LEU HB3 . 17927 1 592 . 1 1 52 52 LEU HG H 1 1.573 0.009 . 1 . . . A 52 LEU HG . 17927 1 593 . 1 1 52 52 LEU HD11 H 1 0.924 0.011 . 2 . . . A 52 LEU HD11 . 17927 1 594 . 1 1 52 52 LEU HD12 H 1 0.924 0.011 . 2 . . . A 52 LEU HD12 . 17927 1 595 . 1 1 52 52 LEU HD13 H 1 0.924 0.011 . 2 . . . A 52 LEU HD13 . 17927 1 596 . 1 1 52 52 LEU HD21 H 1 1.185 0.012 . 2 . . . A 52 LEU HD21 . 17927 1 597 . 1 1 52 52 LEU HD22 H 1 1.185 0.012 . 2 . . . A 52 LEU HD22 . 17927 1 598 . 1 1 52 52 LEU HD23 H 1 1.185 0.012 . 2 . . . A 52 LEU HD23 . 17927 1 599 . 1 1 52 52 LEU C C 13 177.944 0.007 . 1 . . . A 52 LEU C . 17927 1 600 . 1 1 52 52 LEU CA C 13 58.327 0.069 . 1 . . . A 52 LEU CA . 17927 1 601 . 1 1 52 52 LEU CB C 13 42.382 0.060 . 1 . . . A 52 LEU CB . 17927 1 602 . 1 1 52 52 LEU CG C 13 26.885 0.024 . 1 . . . A 52 LEU CG . 17927 1 603 . 1 1 52 52 LEU CD1 C 13 26.286 0.016 . 2 . . . A 52 LEU CD1 . 17927 1 604 . 1 1 52 52 LEU CD2 C 13 23.674 0.000 . 2 . . . A 52 LEU CD2 . 17927 1 605 . 1 1 52 52 LEU N N 15 121.506 0.021 . 1 . . . A 52 LEU N . 17927 1 606 . 1 1 53 53 LYS H H 1 8.148 0.003 . 1 . . . A 53 LYS H . 17927 1 607 . 1 1 53 53 LYS HA H 1 3.903 0.008 . 1 . . . A 53 LYS HA . 17927 1 608 . 1 1 53 53 LYS HB2 H 1 1.923 0.006 . 1 . . . A 53 LYS HB2 . 17927 1 609 . 1 1 53 53 LYS HB3 H 1 1.923 0.006 . 1 . . . A 53 LYS HB3 . 17927 1 610 . 1 1 53 53 LYS HG2 H 1 1.648 0.009 . 2 . . . A 53 LYS HG2 . 17927 1 611 . 1 1 53 53 LYS HG3 H 1 1.449 0.005 . 2 . . . A 53 LYS HG3 . 17927 1 612 . 1 1 53 53 LYS C C 13 179.030 0.003 . 1 . . . A 53 LYS C . 17927 1 613 . 1 1 53 53 LYS CA C 13 59.846 0.105 . 1 . . . A 53 LYS CA . 17927 1 614 . 1 1 53 53 LYS CB C 13 32.211 0.061 . 1 . . . A 53 LYS CB . 17927 1 615 . 1 1 53 53 LYS CG C 13 25.446 0.000 . 1 . . . A 53 LYS CG . 17927 1 616 . 1 1 53 53 LYS N N 15 119.732 0.019 . 1 . . . A 53 LYS N . 17927 1 617 . 1 1 54 54 GLU H H 1 7.585 0.002 . 1 . . . A 54 GLU H . 17927 1 618 . 1 1 54 54 GLU HA H 1 4.059 0.008 . 1 . . . A 54 GLU HA . 17927 1 619 . 1 1 54 54 GLU HB2 H 1 2.102 0.013 . 1 . . . A 54 GLU HB2 . 17927 1 620 . 1 1 54 54 GLU HB3 H 1 2.106 0.011 . 1 . . . A 54 GLU HB3 . 17927 1 621 . 1 1 54 54 GLU HG2 H 1 2.223 0.011 . 2 . . . A 54 GLU HG2 . 17927 1 622 . 1 1 54 54 GLU HG3 H 1 2.423 0.009 . 2 . . . A 54 GLU HG3 . 17927 1 623 . 1 1 54 54 GLU C C 13 179.646 0.019 . 1 . . . A 54 GLU C . 17927 1 624 . 1 1 54 54 GLU CA C 13 59.625 0.100 . 1 . . . A 54 GLU CA . 17927 1 625 . 1 1 54 54 GLU CB C 13 29.567 0.064 . 1 . . . A 54 GLU CB . 17927 1 626 . 1 1 54 54 GLU CG C 13 36.383 0.000 . 1 . . . A 54 GLU CG . 17927 1 627 . 1 1 54 54 GLU N N 15 117.779 0.020 . 1 . . . A 54 GLU N . 17927 1 628 . 1 1 55 55 LEU H H 1 8.096 0.003 . 1 . . . A 55 LEU H . 17927 1 629 . 1 1 55 55 LEU HA H 1 4.193 0.013 . 1 . . . A 55 LEU HA . 17927 1 630 . 1 1 55 55 LEU HB2 H 1 1.642 0.012 . 2 . . . A 55 LEU HB2 . 17927 1 631 . 1 1 55 55 LEU HB3 H 1 1.973 0.012 . 2 . . . A 55 LEU HB3 . 17927 1 632 . 1 1 55 55 LEU HG H 1 1.990 0.007 . 1 . . . A 55 LEU HG . 17927 1 633 . 1 1 55 55 LEU HD11 H 1 0.964 0.008 . 2 . . . A 55 LEU HD11 . 17927 1 634 . 1 1 55 55 LEU HD12 H 1 0.964 0.008 . 2 . . . A 55 LEU HD12 . 17927 1 635 . 1 1 55 55 LEU HD13 H 1 0.964 0.008 . 2 . . . A 55 LEU HD13 . 17927 1 636 . 1 1 55 55 LEU HD21 H 1 0.967 0.009 . 2 . . . A 55 LEU HD21 . 17927 1 637 . 1 1 55 55 LEU HD22 H 1 0.967 0.009 . 2 . . . A 55 LEU HD22 . 17927 1 638 . 1 1 55 55 LEU HD23 H 1 0.967 0.009 . 2 . . . A 55 LEU HD23 . 17927 1 639 . 1 1 55 55 LEU C C 13 178.557 0.001 . 1 . . . A 55 LEU C . 17927 1 640 . 1 1 55 55 LEU CA C 13 58.235 0.074 . 1 . . . A 55 LEU CA . 17927 1 641 . 1 1 55 55 LEU CB C 13 43.011 0.081 . 1 . . . A 55 LEU CB . 17927 1 642 . 1 1 55 55 LEU CG C 13 26.442 0.029 . 1 . . . A 55 LEU CG . 17927 1 643 . 1 1 55 55 LEU CD1 C 13 25.616 0.025 . 2 . . . A 55 LEU CD1 . 17927 1 644 . 1 1 55 55 LEU CD2 C 13 24.139 0.013 . 2 . . . A 55 LEU CD2 . 17927 1 645 . 1 1 55 55 LEU N N 15 120.581 0.031 . 1 . . . A 55 LEU N . 17927 1 646 . 1 1 56 56 GLU H H 1 8.181 0.001 . 1 . . . A 56 GLU H . 17927 1 647 . 1 1 56 56 GLU HA H 1 3.177 0.010 . 1 . . . A 56 GLU HA . 17927 1 648 . 1 1 56 56 GLU HB2 H 1 1.866 0.009 . 2 . . . A 56 GLU HB2 . 17927 1 649 . 1 1 56 56 GLU HB3 H 1 1.652 0.015 . 2 . . . A 56 GLU HB3 . 17927 1 650 . 1 1 56 56 GLU HG2 H 1 1.872 0.008 . 2 . . . A 56 GLU HG2 . 17927 1 651 . 1 1 56 56 GLU HG3 H 1 1.576 0.010 . 2 . . . A 56 GLU HG3 . 17927 1 652 . 1 1 56 56 GLU C C 13 179.650 0.010 . 1 . . . A 56 GLU C . 17927 1 653 . 1 1 56 56 GLU CA C 13 58.871 0.050 . 1 . . . A 56 GLU CA . 17927 1 654 . 1 1 56 56 GLU CB C 13 26.985 0.141 . 1 . . . A 56 GLU CB . 17927 1 655 . 1 1 56 56 GLU CG C 13 33.321 0.013 . 1 . . . A 56 GLU CG . 17927 1 656 . 1 1 56 56 GLU N N 15 118.023 0.014 . 1 . . . A 56 GLU N . 17927 1 657 . 1 1 57 57 GLU H H 1 7.762 0.002 . 1 . . . A 57 GLU H . 17927 1 658 . 1 1 57 57 GLU HA H 1 4.104 0.008 . 1 . . . A 57 GLU HA . 17927 1 659 . 1 1 57 57 GLU HB2 H 1 2.129 0.016 . 1 . . . A 57 GLU HB2 . 17927 1 660 . 1 1 57 57 GLU HB3 H 1 2.127 0.014 . 1 . . . A 57 GLU HB3 . 17927 1 661 . 1 1 57 57 GLU HG2 H 1 2.459 0.000 . 2 . . . A 57 GLU HG2 . 17927 1 662 . 1 1 57 57 GLU HG3 H 1 2.228 0.002 . 2 . . . A 57 GLU HG3 . 17927 1 663 . 1 1 57 57 GLU C C 13 179.700 0.011 . 1 . . . A 57 GLU C . 17927 1 664 . 1 1 57 57 GLU CA C 13 59.027 0.078 . 1 . . . A 57 GLU CA . 17927 1 665 . 1 1 57 57 GLU CB C 13 29.665 0.059 . 1 . . . A 57 GLU CB . 17927 1 666 . 1 1 57 57 GLU CG C 13 36.528 0.007 . 1 . . . A 57 GLU CG . 17927 1 667 . 1 1 57 57 GLU N N 15 117.828 0.018 . 1 . . . A 57 GLU N . 17927 1 668 . 1 1 58 58 LYS H H 1 8.410 0.002 . 1 . . . A 58 LYS H . 17927 1 669 . 1 1 58 58 LYS HA H 1 3.979 0.006 . 1 . . . A 58 LYS HA . 17927 1 670 . 1 1 58 58 LYS HB2 H 1 1.920 0.008 . 2 . . . A 58 LYS HB2 . 17927 1 671 . 1 1 58 58 LYS HB3 H 1 1.712 0.011 . 2 . . . A 58 LYS HB3 . 17927 1 672 . 1 1 58 58 LYS HG2 H 1 1.334 0.009 . 2 . . . A 58 LYS HG2 . 17927 1 673 . 1 1 58 58 LYS HG3 H 1 0.955 0.009 . 2 . . . A 58 LYS HG3 . 17927 1 674 . 1 1 58 58 LYS HD2 H 1 1.607 0.005 . 1 . . . A 58 LYS HD2 . 17927 1 675 . 1 1 58 58 LYS HD3 H 1 1.606 0.006 . 1 . . . A 58 LYS HD3 . 17927 1 676 . 1 1 58 58 LYS HE2 H 1 2.922 0.006 . 2 . . . A 58 LYS HE2 . 17927 1 677 . 1 1 58 58 LYS HE3 H 1 2.894 0.001 . 2 . . . A 58 LYS HE3 . 17927 1 678 . 1 1 58 58 LYS C C 13 178.715 0.006 . 1 . . . A 58 LYS C . 17927 1 679 . 1 1 58 58 LYS CA C 13 59.078 0.101 . 1 . . . A 58 LYS CA . 17927 1 680 . 1 1 58 58 LYS CB C 13 32.980 0.061 . 1 . . . A 58 LYS CB . 17927 1 681 . 1 1 58 58 LYS CG C 13 25.196 0.002 . 1 . . . A 58 LYS CG . 17927 1 682 . 1 1 58 58 LYS CD C 13 29.252 0.018 . 1 . . . A 58 LYS CD . 17927 1 683 . 1 1 58 58 LYS CE C 13 41.860 0.002 . 1 . . . A 58 LYS CE . 17927 1 684 . 1 1 58 58 LYS N N 15 120.896 0.031 . 1 . . . A 58 LYS N . 17927 1 685 . 1 1 59 59 TYR H H 1 8.102 0.002 . 1 . . . A 59 TYR H . 17927 1 686 . 1 1 59 59 TYR HA H 1 4.312 0.008 . 1 . . . A 59 TYR HA . 17927 1 687 . 1 1 59 59 TYR HB2 H 1 3.372 0.008 . 2 . . . A 59 TYR HB2 . 17927 1 688 . 1 1 59 59 TYR HB3 H 1 2.915 0.013 . 2 . . . A 59 TYR HB3 . 17927 1 689 . 1 1 59 59 TYR HD1 H 1 7.379 0.010 . 3 . . . A 59 TYR HD1 . 17927 1 690 . 1 1 59 59 TYR HD2 H 1 7.379 0.010 . 3 . . . A 59 TYR HD2 . 17927 1 691 . 1 1 59 59 TYR HE1 H 1 6.810 0.007 . 3 . . . A 59 TYR HE1 . 17927 1 692 . 1 1 59 59 TYR HE2 H 1 6.810 0.007 . 3 . . . A 59 TYR HE2 . 17927 1 693 . 1 1 59 59 TYR C C 13 175.025 0.010 . 1 . . . A 59 TYR C . 17927 1 694 . 1 1 59 59 TYR CA C 13 58.973 0.092 . 1 . . . A 59 TYR CA . 17927 1 695 . 1 1 59 59 TYR CB C 13 37.434 0.067 . 1 . . . A 59 TYR CB . 17927 1 696 . 1 1 59 59 TYR CD1 C 13 133.079 0.033 . 3 . . . A 59 TYR CD1 . 17927 1 697 . 1 1 59 59 TYR CD2 C 13 133.079 0.033 . 3 . . . A 59 TYR CD2 . 17927 1 698 . 1 1 59 59 TYR CE1 C 13 117.780 0.066 . 3 . . . A 59 TYR CE1 . 17927 1 699 . 1 1 59 59 TYR CE2 C 13 117.780 0.066 . 3 . . . A 59 TYR CE2 . 17927 1 700 . 1 1 59 59 TYR N N 15 113.713 0.016 . 1 . . . A 59 TYR N . 17927 1 701 . 1 1 60 60 ALA H H 1 7.201 0.001 . 1 . . . A 60 ALA H . 17927 1 702 . 1 1 60 60 ALA HA H 1 4.418 0.010 . 1 . . . A 60 ALA HA . 17927 1 703 . 1 1 60 60 ALA HB1 H 1 1.595 0.008 . 1 . . . A 60 ALA HB1 . 17927 1 704 . 1 1 60 60 ALA HB2 H 1 1.595 0.008 . 1 . . . A 60 ALA HB2 . 17927 1 705 . 1 1 60 60 ALA HB3 H 1 1.595 0.008 . 1 . . . A 60 ALA HB3 . 17927 1 706 . 1 1 60 60 ALA C C 13 179.208 0.005 . 1 . . . A 60 ALA C . 17927 1 707 . 1 1 60 60 ALA CA C 13 54.534 0.136 . 1 . . . A 60 ALA CA . 17927 1 708 . 1 1 60 60 ALA CB C 13 18.589 0.083 . 1 . . . A 60 ALA CB . 17927 1 709 . 1 1 60 60 ALA N N 15 126.637 0.020 . 1 . . . A 60 ALA N . 17927 1 710 . 1 1 61 61 GLY H H 1 9.184 0.003 . 1 . . . A 61 GLY H . 17927 1 711 . 1 1 61 61 GLY HA2 H 1 3.926 0.002 . 2 . . . A 61 GLY HA2 . 17927 1 712 . 1 1 61 61 GLY HA3 H 1 4.275 0.003 . 2 . . . A 61 GLY HA3 . 17927 1 713 . 1 1 61 61 GLY C C 13 174.698 0.008 . 1 . . . A 61 GLY C . 17927 1 714 . 1 1 61 61 GLY CA C 13 45.904 0.144 . 1 . . . A 61 GLY CA . 17927 1 715 . 1 1 61 61 GLY N N 15 111.816 0.022 . 1 . . . A 61 GLY N . 17927 1 716 . 1 1 62 62 LYS H H 1 8.019 0.002 . 1 . . . A 62 LYS H . 17927 1 717 . 1 1 62 62 LYS HA H 1 4.879 0.007 . 1 . . . A 62 LYS HA . 17927 1 718 . 1 1 62 62 LYS HB2 H 1 2.237 0.009 . 2 . . . A 62 LYS HB2 . 17927 1 719 . 1 1 62 62 LYS HB3 H 1 2.166 0.009 . 2 . . . A 62 LYS HB3 . 17927 1 720 . 1 1 62 62 LYS HG3 H 1 1.499 0.005 . 1 . . . A 62 LYS HG3 . 17927 1 721 . 1 1 62 62 LYS HD2 H 1 1.710 0.001 . 2 . . . A 62 LYS HD2 . 17927 1 722 . 1 1 62 62 LYS HD3 H 1 1.767 0.001 . 2 . . . A 62 LYS HD3 . 17927 1 723 . 1 1 62 62 LYS HE2 H 1 3.051 0.000 . 1 . . . A 62 LYS HE2 . 17927 1 724 . 1 1 62 62 LYS HE3 H 1 3.051 0.000 . 1 . . . A 62 LYS HE3 . 17927 1 725 . 1 1 62 62 LYS C C 13 179.019 0.006 . 1 . . . A 62 LYS C . 17927 1 726 . 1 1 62 62 LYS CA C 13 53.988 0.106 . 1 . . . A 62 LYS CA . 17927 1 727 . 1 1 62 62 LYS CB C 13 33.840 0.096 . 1 . . . A 62 LYS CB . 17927 1 728 . 1 1 62 62 LYS CG C 13 25.568 0.000 . 1 . . . A 62 LYS CG . 17927 1 729 . 1 1 62 62 LYS CD C 13 28.891 0.000 . 1 . . . A 62 LYS CD . 17927 1 730 . 1 1 62 62 LYS CE C 13 41.946 0.000 . 1 . . . A 62 LYS CE . 17927 1 731 . 1 1 62 62 LYS N N 15 118.497 0.036 . 1 . . . A 62 LYS N . 17927 1 732 . 1 1 63 63 ASP H H 1 8.709 0.004 . 1 . . . A 63 ASP H . 17927 1 733 . 1 1 63 63 ASP HA H 1 4.527 0.009 . 1 . . . A 63 ASP HA . 17927 1 734 . 1 1 63 63 ASP HB2 H 1 3.154 0.010 . 2 . . . A 63 ASP HB2 . 17927 1 735 . 1 1 63 63 ASP HB3 H 1 2.756 0.009 . 2 . . . A 63 ASP HB3 . 17927 1 736 . 1 1 63 63 ASP C C 13 174.065 0.000 . 1 . . . A 63 ASP C . 17927 1 737 . 1 1 63 63 ASP CA C 13 55.055 0.121 . 1 . . . A 63 ASP CA . 17927 1 738 . 1 1 63 63 ASP CB C 13 38.582 0.088 . 1 . . . A 63 ASP CB . 17927 1 739 . 1 1 63 63 ASP N N 15 122.982 0.039 . 1 . . . A 63 ASP N . 17927 1 740 . 1 1 64 64 ILE H H 1 8.678 0.003 . 1 . . . A 64 ILE H . 17927 1 741 . 1 1 64 64 ILE HA H 1 4.607 0.008 . 1 . . . A 64 ILE HA . 17927 1 742 . 1 1 64 64 ILE HB H 1 1.148 0.009 . 1 . . . A 64 ILE HB . 17927 1 743 . 1 1 64 64 ILE HG12 H 1 0.856 0.011 . 2 . . . A 64 ILE HG12 . 17927 1 744 . 1 1 64 64 ILE HG13 H 1 0.066 0.006 . 2 . . . A 64 ILE HG13 . 17927 1 745 . 1 1 64 64 ILE HG21 H 1 -0.006 0.007 . 1 . . . A 64 ILE HG21 . 17927 1 746 . 1 1 64 64 ILE HG22 H 1 -0.006 0.007 . 1 . . . A 64 ILE HG22 . 17927 1 747 . 1 1 64 64 ILE HG23 H 1 -0.006 0.007 . 1 . . . A 64 ILE HG23 . 17927 1 748 . 1 1 64 64 ILE HD11 H 1 -0.557 0.007 . 1 . . . A 64 ILE HD11 . 17927 1 749 . 1 1 64 64 ILE HD12 H 1 -0.557 0.007 . 1 . . . A 64 ILE HD12 . 17927 1 750 . 1 1 64 64 ILE HD13 H 1 -0.557 0.007 . 1 . . . A 64 ILE HD13 . 17927 1 751 . 1 1 64 64 ILE C C 13 174.627 0.022 . 1 . . . A 64 ILE C . 17927 1 752 . 1 1 64 64 ILE CA C 13 59.712 0.093 . 1 . . . A 64 ILE CA . 17927 1 753 . 1 1 64 64 ILE CB C 13 42.133 0.054 . 1 . . . A 64 ILE CB . 17927 1 754 . 1 1 64 64 ILE CG1 C 13 27.500 0.017 . 1 . . . A 64 ILE CG1 . 17927 1 755 . 1 1 64 64 ILE CG2 C 13 15.648 0.007 . 1 . . . A 64 ILE CG2 . 17927 1 756 . 1 1 64 64 ILE CD1 C 13 12.962 0.005 . 1 . . . A 64 ILE CD1 . 17927 1 757 . 1 1 64 64 ILE N N 15 122.219 0.031 . 1 . . . A 64 ILE N . 17927 1 758 . 1 1 65 65 HIS H H 1 9.204 0.002 . 1 . . . A 65 HIS H . 17927 1 759 . 1 1 65 65 HIS HA H 1 5.043 0.007 . 1 . . . A 65 HIS HA . 17927 1 760 . 1 1 65 65 HIS HB2 H 1 3.014 0.009 . 2 . . . A 65 HIS HB2 . 17927 1 761 . 1 1 65 65 HIS HB3 H 1 2.748 0.008 . 2 . . . A 65 HIS HB3 . 17927 1 762 . 1 1 65 65 HIS HD2 H 1 7.006 0.003 . 1 . . . A 65 HIS HD2 . 17927 1 763 . 1 1 65 65 HIS HE1 H 1 7.846 0.005 . 1 . . . A 65 HIS HE1 . 17927 1 764 . 1 1 65 65 HIS C C 13 174.153 0.004 . 1 . . . A 65 HIS C . 17927 1 765 . 1 1 65 65 HIS CA C 13 54.959 0.092 . 1 . . . A 65 HIS CA . 17927 1 766 . 1 1 65 65 HIS CB C 13 34.156 0.053 . 1 . . . A 65 HIS CB . 17927 1 767 . 1 1 65 65 HIS CD2 C 13 120.576 0.000 . 1 . . . A 65 HIS CD2 . 17927 1 768 . 1 1 65 65 HIS CE1 C 13 139.084 0.008 . 1 . . . A 65 HIS CE1 . 17927 1 769 . 1 1 65 65 HIS N N 15 125.584 0.020 . 1 . . . A 65 HIS N . 17927 1 770 . 1 1 66 66 PHE H H 1 9.262 0.004 . 1 . . . A 66 PHE H . 17927 1 771 . 1 1 66 66 PHE HA H 1 5.210 0.008 . 1 . . . A 66 PHE HA . 17927 1 772 . 1 1 66 66 PHE HB2 H 1 3.346 0.010 . 2 . . . A 66 PHE HB2 . 17927 1 773 . 1 1 66 66 PHE HB3 H 1 3.070 0.010 . 2 . . . A 66 PHE HB3 . 17927 1 774 . 1 1 66 66 PHE HD1 H 1 7.531 0.006 . 3 . . . A 66 PHE HD1 . 17927 1 775 . 1 1 66 66 PHE HD2 H 1 7.531 0.006 . 3 . . . A 66 PHE HD2 . 17927 1 776 . 1 1 66 66 PHE HE1 H 1 7.122 0.009 . 3 . . . A 66 PHE HE1 . 17927 1 777 . 1 1 66 66 PHE HE2 H 1 7.122 0.009 . 3 . . . A 66 PHE HE2 . 17927 1 778 . 1 1 66 66 PHE HZ H 1 6.707 0.002 . 1 . . . A 66 PHE HZ . 17927 1 779 . 1 1 66 66 PHE C C 13 175.463 0.008 . 1 . . . A 66 PHE C . 17927 1 780 . 1 1 66 66 PHE CA C 13 58.088 0.077 . 1 . . . A 66 PHE CA . 17927 1 781 . 1 1 66 66 PHE CB C 13 39.637 0.071 . 1 . . . A 66 PHE CB . 17927 1 782 . 1 1 66 66 PHE CD1 C 13 132.922 0.016 . 3 . . . A 66 PHE CD1 . 17927 1 783 . 1 1 66 66 PHE CD2 C 13 132.922 0.016 . 3 . . . A 66 PHE CD2 . 17927 1 784 . 1 1 66 66 PHE CE1 C 13 130.889 0.000 . 3 . . . A 66 PHE CE1 . 17927 1 785 . 1 1 66 66 PHE CE2 C 13 130.889 0.000 . 3 . . . A 66 PHE CE2 . 17927 1 786 . 1 1 66 66 PHE CZ C 13 128.748 0.017 . 1 . . . A 66 PHE CZ . 17927 1 787 . 1 1 66 66 PHE N N 15 123.244 0.022 . 1 . . . A 66 PHE N . 17927 1 788 . 1 1 67 67 VAL H H 1 8.843 0.002 . 1 . . . A 67 VAL H . 17927 1 789 . 1 1 67 67 VAL HA H 1 4.834 0.006 . 1 . . . A 67 VAL HA . 17927 1 790 . 1 1 67 67 VAL HB H 1 1.775 0.010 . 1 . . . A 67 VAL HB . 17927 1 791 . 1 1 67 67 VAL HG11 H 1 0.851 0.012 . 2 . . . A 67 VAL HG11 . 17927 1 792 . 1 1 67 67 VAL HG12 H 1 0.851 0.012 . 2 . . . A 67 VAL HG12 . 17927 1 793 . 1 1 67 67 VAL HG13 H 1 0.851 0.012 . 2 . . . A 67 VAL HG13 . 17927 1 794 . 1 1 67 67 VAL HG21 H 1 0.679 0.008 . 2 . . . A 67 VAL HG21 . 17927 1 795 . 1 1 67 67 VAL HG22 H 1 0.679 0.008 . 2 . . . A 67 VAL HG22 . 17927 1 796 . 1 1 67 67 VAL HG23 H 1 0.679 0.008 . 2 . . . A 67 VAL HG23 . 17927 1 797 . 1 1 67 67 VAL C C 13 174.364 0.004 . 1 . . . A 67 VAL C . 17927 1 798 . 1 1 67 67 VAL CA C 13 60.724 0.082 . 1 . . . A 67 VAL CA . 17927 1 799 . 1 1 67 67 VAL CB C 13 34.893 0.044 . 1 . . . A 67 VAL CB . 17927 1 800 . 1 1 67 67 VAL CG1 C 13 22.705 0.011 . 2 . . . A 67 VAL CG1 . 17927 1 801 . 1 1 67 67 VAL CG2 C 13 21.221 0.005 . 2 . . . A 67 VAL CG2 . 17927 1 802 . 1 1 67 67 VAL N N 15 126.201 0.020 . 1 . . . A 67 VAL N . 17927 1 803 . 1 1 68 68 SER H H 1 9.243 0.003 . 1 . . . A 68 SER H . 17927 1 804 . 1 1 68 68 SER HA H 1 5.585 0.010 . 1 . . . A 68 SER HA . 17927 1 805 . 1 1 68 68 SER HB2 H 1 3.896 0.008 . 1 . . . A 68 SER HB2 . 17927 1 806 . 1 1 68 68 SER HB3 H 1 3.896 0.007 . 1 . . . A 68 SER HB3 . 17927 1 807 . 1 1 68 68 SER C C 13 172.858 0.004 . 1 . . . A 68 SER C . 17927 1 808 . 1 1 68 68 SER CA C 13 57.282 0.087 . 1 . . . A 68 SER CA . 17927 1 809 . 1 1 68 68 SER CB C 13 65.032 0.144 . 1 . . . A 68 SER CB . 17927 1 810 . 1 1 68 68 SER N N 15 124.528 0.022 . 1 . . . A 68 SER N . 17927 1 811 . 1 1 69 69 LEU H H 1 9.360 0.002 . 1 . . . A 69 LEU H . 17927 1 812 . 1 1 69 69 LEU HA H 1 4.517 0.008 . 1 . . . A 69 LEU HA . 17927 1 813 . 1 1 69 69 LEU HB2 H 1 1.343 0.014 . 2 . . . A 69 LEU HB2 . 17927 1 814 . 1 1 69 69 LEU HB3 H 1 0.966 0.010 . 2 . . . A 69 LEU HB3 . 17927 1 815 . 1 1 69 69 LEU HG H 1 0.959 0.008 . 1 . . . A 69 LEU HG . 17927 1 816 . 1 1 69 69 LEU HD11 H 1 -0.246 0.005 . 2 . . . A 69 LEU HD11 . 17927 1 817 . 1 1 69 69 LEU HD12 H 1 -0.246 0.005 . 2 . . . A 69 LEU HD12 . 17927 1 818 . 1 1 69 69 LEU HD13 H 1 -0.246 0.005 . 2 . . . A 69 LEU HD13 . 17927 1 819 . 1 1 69 69 LEU HD21 H 1 0.134 0.006 . 2 . . . A 69 LEU HD21 . 17927 1 820 . 1 1 69 69 LEU HD22 H 1 0.134 0.006 . 2 . . . A 69 LEU HD22 . 17927 1 821 . 1 1 69 69 LEU HD23 H 1 0.134 0.006 . 2 . . . A 69 LEU HD23 . 17927 1 822 . 1 1 69 69 LEU C C 13 174.652 0.016 . 1 . . . A 69 LEU C . 17927 1 823 . 1 1 69 69 LEU CA C 13 52.827 0.082 . 1 . . . A 69 LEU CA . 17927 1 824 . 1 1 69 69 LEU CB C 13 43.895 0.070 . 1 . . . A 69 LEU CB . 17927 1 825 . 1 1 69 69 LEU CG C 13 26.192 0.000 . 1 . . . A 69 LEU CG . 17927 1 826 . 1 1 69 69 LEU CD1 C 13 25.527 0.008 . 2 . . . A 69 LEU CD1 . 17927 1 827 . 1 1 69 69 LEU CD2 C 13 25.956 0.006 . 2 . . . A 69 LEU CD2 . 17927 1 828 . 1 1 69 69 LEU N N 15 126.695 0.016 . 1 . . . A 69 LEU N . 17927 1 829 . 1 1 70 70 SER H H 1 7.981 0.001 . 1 . . . A 70 SER H . 17927 1 830 . 1 1 70 70 SER HA H 1 4.905 0.008 . 1 . . . A 70 SER HA . 17927 1 831 . 1 1 70 70 SER HB2 H 1 3.502 0.009 . 2 . . . A 70 SER HB2 . 17927 1 832 . 1 1 70 70 SER HB3 H 1 2.894 0.010 . 2 . . . A 70 SER HB3 . 17927 1 833 . 1 1 70 70 SER C C 13 176.307 0.007 . 1 . . . A 70 SER C . 17927 1 834 . 1 1 70 70 SER CA C 13 55.213 0.075 . 1 . . . A 70 SER CA . 17927 1 835 . 1 1 70 70 SER CB C 13 63.519 0.143 . 1 . . . A 70 SER CB . 17927 1 836 . 1 1 70 70 SER N N 15 116.379 0.020 . 1 . . . A 70 SER N . 17927 1 837 . 1 1 71 71 CYS H H 1 8.609 0.003 . 1 . . . A 71 CYS H . 17927 1 838 . 1 1 71 71 CYS HA H 1 4.958 0.008 . 1 . . . A 71 CYS HA . 17927 1 839 . 1 1 71 71 CYS HB2 H 1 3.150 0.013 . 2 . . . A 71 CYS HB2 . 17927 1 840 . 1 1 71 71 CYS HB3 H 1 2.455 0.019 . 2 . . . A 71 CYS HB3 . 17927 1 841 . 1 1 71 71 CYS C C 13 173.996 0.014 . 1 . . . A 71 CYS C . 17927 1 842 . 1 1 71 71 CYS CA C 13 55.483 0.089 . 1 . . . A 71 CYS CA . 17927 1 843 . 1 1 71 71 CYS CB C 13 28.112 0.137 . 1 . . . A 71 CYS CB . 17927 1 844 . 1 1 71 71 CYS N N 15 124.670 0.024 . 1 . . . A 71 CYS N . 17927 1 845 . 1 1 72 72 ASP H H 1 8.557 0.004 . 1 . . . A 72 ASP H . 17927 1 846 . 1 1 72 72 ASP HA H 1 4.292 0.008 . 1 . . . A 72 ASP HA . 17927 1 847 . 1 1 72 72 ASP HB2 H 1 2.555 0.010 . 2 . . . A 72 ASP HB2 . 17927 1 848 . 1 1 72 72 ASP HB3 H 1 2.232 0.015 . 2 . . . A 72 ASP HB3 . 17927 1 849 . 1 1 72 72 ASP C C 13 176.653 0.000 . 1 . . . A 72 ASP C . 17927 1 850 . 1 1 72 72 ASP CA C 13 56.782 0.066 . 1 . . . A 72 ASP CA . 17927 1 851 . 1 1 72 72 ASP CB C 13 41.526 0.049 . 1 . . . A 72 ASP CB . 17927 1 852 . 1 1 72 72 ASP N N 15 122.398 0.025 . 1 . . . A 72 ASP N . 17927 1 853 . 1 1 73 73 LYS HA H 1 4.065 0.009 . 1 . . . A 73 LYS HA . 17927 1 854 . 1 1 73 73 LYS HB2 H 1 1.865 0.010 . 1 . . . A 73 LYS HB2 . 17927 1 855 . 1 1 73 73 LYS HB3 H 1 1.865 0.010 . 1 . . . A 73 LYS HB3 . 17927 1 856 . 1 1 73 73 LYS HG2 H 1 1.471 0.008 . 1 . . . A 73 LYS HG2 . 17927 1 857 . 1 1 73 73 LYS HG3 H 1 1.471 0.008 . 1 . . . A 73 LYS HG3 . 17927 1 858 . 1 1 73 73 LYS C C 13 176.545 0.000 . 1 . . . A 73 LYS C . 17927 1 859 . 1 1 73 73 LYS CA C 13 58.458 0.095 . 1 . . . A 73 LYS CA . 17927 1 860 . 1 1 73 73 LYS CB C 13 32.641 0.061 . 1 . . . A 73 LYS CB . 17927 1 861 . 1 1 73 73 LYS CG C 13 25.087 0.000 . 1 . . . A 73 LYS CG . 17927 1 862 . 1 1 74 74 ASN H H 1 8.625 0.003 . 1 . . . A 74 ASN H . 17927 1 863 . 1 1 74 74 ASN HA H 1 4.905 0.009 . 1 . . . A 74 ASN HA . 17927 1 864 . 1 1 74 74 ASN HB2 H 1 3.379 0.009 . 2 . . . A 74 ASN HB2 . 17927 1 865 . 1 1 74 74 ASN HB3 H 1 2.724 0.009 . 2 . . . A 74 ASN HB3 . 17927 1 866 . 1 1 74 74 ASN HD21 H 1 7.750 0.001 . 1 . . . A 74 ASN HD21 . 17927 1 867 . 1 1 74 74 ASN HD22 H 1 7.009 0.003 . 1 . . . A 74 ASN HD22 . 17927 1 868 . 1 1 74 74 ASN C C 13 174.894 0.000 . 1 . . . A 74 ASN C . 17927 1 869 . 1 1 74 74 ASN CA C 13 51.521 0.116 . 1 . . . A 74 ASN CA . 17927 1 870 . 1 1 74 74 ASN CB C 13 38.109 0.100 . 1 . . . A 74 ASN CB . 17927 1 871 . 1 1 74 74 ASN N N 15 117.616 0.011 . 1 . . . A 74 ASN N . 17927 1 872 . 1 1 74 74 ASN ND2 N 15 111.970 0.017 . 1 . . . A 74 ASN ND2 . 17927 1 873 . 1 1 75 75 LYS H H 1 8.588 0.002 . 1 . . . A 75 LYS H . 17927 1 874 . 1 1 75 75 LYS HA H 1 3.423 0.008 . 1 . . . A 75 LYS HA . 17927 1 875 . 1 1 75 75 LYS HB2 H 1 1.840 0.013 . 2 . . . A 75 LYS HB2 . 17927 1 876 . 1 1 75 75 LYS HB3 H 1 1.737 0.005 . 2 . . . A 75 LYS HB3 . 17927 1 877 . 1 1 75 75 LYS HG2 H 1 1.516 0.013 . 2 . . . A 75 LYS HG2 . 17927 1 878 . 1 1 75 75 LYS HG3 H 1 0.587 0.005 . 2 . . . A 75 LYS HG3 . 17927 1 879 . 1 1 75 75 LYS HD2 H 1 1.681 0.001 . 1 . . . A 75 LYS HD2 . 17927 1 880 . 1 1 75 75 LYS HD3 H 1 1.681 0.001 . 1 . . . A 75 LYS HD3 . 17927 1 881 . 1 1 75 75 LYS HE2 H 1 2.887 0.010 . 2 . . . A 75 LYS HE2 . 17927 1 882 . 1 1 75 75 LYS HE3 H 1 3.101 0.009 . 2 . . . A 75 LYS HE3 . 17927 1 883 . 1 1 75 75 LYS C C 13 178.058 0.011 . 1 . . . A 75 LYS C . 17927 1 884 . 1 1 75 75 LYS CA C 13 60.173 0.080 . 1 . . . A 75 LYS CA . 17927 1 885 . 1 1 75 75 LYS CB C 13 33.291 0.075 . 1 . . . A 75 LYS CB . 17927 1 886 . 1 1 75 75 LYS CG C 13 25.904 0.009 . 1 . . . A 75 LYS CG . 17927 1 887 . 1 1 75 75 LYS CD C 13 29.710 0.000 . 1 . . . A 75 LYS CD . 17927 1 888 . 1 1 75 75 LYS CE C 13 42.411 0.023 . 1 . . . A 75 LYS CE . 17927 1 889 . 1 1 75 75 LYS N N 15 126.797 0.047 . 1 . . . A 75 LYS N . 17927 1 890 . 1 1 76 76 LYS H H 1 8.041 0.002 . 1 . . . A 76 LYS H . 17927 1 891 . 1 1 76 76 LYS HA H 1 4.200 0.011 . 1 . . . A 76 LYS HA . 17927 1 892 . 1 1 76 76 LYS HB2 H 1 1.953 0.004 . 2 . . . A 76 LYS HB2 . 17927 1 893 . 1 1 76 76 LYS HB3 H 1 1.933 0.008 . 2 . . . A 76 LYS HB3 . 17927 1 894 . 1 1 76 76 LYS C C 13 178.791 0.005 . 1 . . . A 76 LYS C . 17927 1 895 . 1 1 76 76 LYS CA C 13 58.608 0.134 . 1 . . . A 76 LYS CA . 17927 1 896 . 1 1 76 76 LYS CB C 13 31.490 0.113 . 1 . . . A 76 LYS CB . 17927 1 897 . 1 1 76 76 LYS N N 15 117.875 0.061 . 1 . . . A 76 LYS N . 17927 1 898 . 1 1 77 77 ALA H H 1 7.366 0.002 . 1 . . . A 77 ALA H . 17927 1 899 . 1 1 77 77 ALA HA H 1 4.123 0.007 . 1 . . . A 77 ALA HA . 17927 1 900 . 1 1 77 77 ALA HB1 H 1 1.556 0.007 . 1 . . . A 77 ALA HB1 . 17927 1 901 . 1 1 77 77 ALA HB2 H 1 1.556 0.007 . 1 . . . A 77 ALA HB2 . 17927 1 902 . 1 1 77 77 ALA HB3 H 1 1.556 0.007 . 1 . . . A 77 ALA HB3 . 17927 1 903 . 1 1 77 77 ALA C C 13 181.191 0.018 . 1 . . . A 77 ALA C . 17927 1 904 . 1 1 77 77 ALA CA C 13 54.957 0.114 . 1 . . . A 77 ALA CA . 17927 1 905 . 1 1 77 77 ALA CB C 13 17.759 0.075 . 1 . . . A 77 ALA CB . 17927 1 906 . 1 1 77 77 ALA N N 15 121.567 0.014 . 1 . . . A 77 ALA N . 17927 1 907 . 1 1 78 78 TRP H H 1 7.187 0.004 . 1 . . . A 78 TRP H . 17927 1 908 . 1 1 78 78 TRP HA H 1 4.077 0.009 . 1 . . . A 78 TRP HA . 17927 1 909 . 1 1 78 78 TRP HB2 H 1 3.470 0.009 . 2 . . . A 78 TRP HB2 . 17927 1 910 . 1 1 78 78 TRP HB3 H 1 2.924 0.009 . 2 . . . A 78 TRP HB3 . 17927 1 911 . 1 1 78 78 TRP HD1 H 1 6.887 0.009 . 1 . . . A 78 TRP HD1 . 17927 1 912 . 1 1 78 78 TRP HE1 H 1 11.176 0.001 . 1 . . . A 78 TRP HE1 . 17927 1 913 . 1 1 78 78 TRP HE3 H 1 7.431 0.007 . 1 . . . A 78 TRP HE3 . 17927 1 914 . 1 1 78 78 TRP HZ2 H 1 7.578 0.006 . 1 . . . A 78 TRP HZ2 . 17927 1 915 . 1 1 78 78 TRP HZ3 H 1 7.056 0.017 . 1 . . . A 78 TRP HZ3 . 17927 1 916 . 1 1 78 78 TRP HH2 H 1 6.941 0.009 . 1 . . . A 78 TRP HH2 . 17927 1 917 . 1 1 78 78 TRP C C 13 175.942 0.005 . 1 . . . A 78 TRP C . 17927 1 918 . 1 1 78 78 TRP CA C 13 61.761 0.089 . 1 . . . A 78 TRP CA . 17927 1 919 . 1 1 78 78 TRP CB C 13 27.272 0.075 . 1 . . . A 78 TRP CB . 17927 1 920 . 1 1 78 78 TRP CD1 C 13 126.867 0.032 . 1 . . . A 78 TRP CD1 . 17927 1 921 . 1 1 78 78 TRP CE3 C 13 121.545 0.000 . 1 . . . A 78 TRP CE3 . 17927 1 922 . 1 1 78 78 TRP CZ2 C 13 113.910 0.026 . 1 . . . A 78 TRP CZ2 . 17927 1 923 . 1 1 78 78 TRP CZ3 C 13 121.880 0.000 . 1 . . . A 78 TRP CZ3 . 17927 1 924 . 1 1 78 78 TRP CH2 C 13 124.246 0.025 . 1 . . . A 78 TRP CH2 . 17927 1 925 . 1 1 78 78 TRP N N 15 119.497 0.015 . 1 . . . A 78 TRP N . 17927 1 926 . 1 1 78 78 TRP NE1 N 15 132.392 0.017 . 1 . . . A 78 TRP NE1 . 17927 1 927 . 1 1 79 79 GLU H H 1 8.813 0.001 . 1 . . . A 79 GLU H . 17927 1 928 . 1 1 79 79 GLU HA H 1 3.014 0.010 . 1 . . . A 79 GLU HA . 17927 1 929 . 1 1 79 79 GLU HB2 H 1 2.169 0.012 . 2 . . . A 79 GLU HB2 . 17927 1 930 . 1 1 79 79 GLU HB3 H 1 1.939 0.009 . 2 . . . A 79 GLU HB3 . 17927 1 931 . 1 1 79 79 GLU HG2 H 1 2.655 0.008 . 2 . . . A 79 GLU HG2 . 17927 1 932 . 1 1 79 79 GLU HG3 H 1 2.191 0.006 . 2 . . . A 79 GLU HG3 . 17927 1 933 . 1 1 79 79 GLU C C 13 179.863 0.021 . 1 . . . A 79 GLU C . 17927 1 934 . 1 1 79 79 GLU CA C 13 59.110 0.087 . 1 . . . A 79 GLU CA . 17927 1 935 . 1 1 79 79 GLU CB C 13 30.220 0.064 . 1 . . . A 79 GLU CB . 17927 1 936 . 1 1 79 79 GLU CG C 13 37.093 0.009 . 1 . . . A 79 GLU CG . 17927 1 937 . 1 1 79 79 GLU N N 15 118.771 0.010 . 1 . . . A 79 GLU N . 17927 1 938 . 1 1 80 80 ASN H H 1 8.491 0.005 . 1 . . . A 80 ASN H . 17927 1 939 . 1 1 80 80 ASN HA H 1 4.339 0.009 . 1 . . . A 80 ASN HA . 17927 1 940 . 1 1 80 80 ASN HB2 H 1 2.914 0.008 . 2 . . . A 80 ASN HB2 . 17927 1 941 . 1 1 80 80 ASN HB3 H 1 2.763 0.009 . 2 . . . A 80 ASN HB3 . 17927 1 942 . 1 1 80 80 ASN HD21 H 1 6.894 0.003 . 1 . . . A 80 ASN HD21 . 17927 1 943 . 1 1 80 80 ASN HD22 H 1 7.625 0.002 . 1 . . . A 80 ASN HD22 . 17927 1 944 . 1 1 80 80 ASN C C 13 176.749 0.022 . 1 . . . A 80 ASN C . 17927 1 945 . 1 1 80 80 ASN CA C 13 56.035 0.113 . 1 . . . A 80 ASN CA . 17927 1 946 . 1 1 80 80 ASN CB C 13 38.489 0.118 . 1 . . . A 80 ASN CB . 17927 1 947 . 1 1 80 80 ASN N N 15 115.964 0.015 . 1 . . . A 80 ASN N . 17927 1 948 . 1 1 80 80 ASN ND2 N 15 111.546 0.077 . 1 . . . A 80 ASN ND2 . 17927 1 949 . 1 1 81 81 MET H H 1 7.667 0.002 . 1 . . . A 81 MET H . 17927 1 950 . 1 1 81 81 MET HA H 1 4.149 0.008 . 1 . . . A 81 MET HA . 17927 1 951 . 1 1 81 81 MET HB2 H 1 2.291 0.010 . 2 . . . A 81 MET HB2 . 17927 1 952 . 1 1 81 81 MET HB3 H 1 2.138 0.013 . 2 . . . A 81 MET HB3 . 17927 1 953 . 1 1 81 81 MET HG2 H 1 2.934 0.008 . 2 . . . A 81 MET HG2 . 17927 1 954 . 1 1 81 81 MET HG3 H 1 2.545 0.010 . 2 . . . A 81 MET HG3 . 17927 1 955 . 1 1 81 81 MET HE1 H 1 2.253 0.004 . 1 . . . A 81 MET HE1 . 17927 1 956 . 1 1 81 81 MET HE2 H 1 2.253 0.004 . 1 . . . A 81 MET HE2 . 17927 1 957 . 1 1 81 81 MET HE3 H 1 2.253 0.004 . 1 . . . A 81 MET HE3 . 17927 1 958 . 1 1 81 81 MET C C 13 177.933 0.015 . 1 . . . A 81 MET C . 17927 1 959 . 1 1 81 81 MET CA C 13 60.276 0.109 . 1 . . . A 81 MET CA . 17927 1 960 . 1 1 81 81 MET CB C 13 32.518 0.056 . 1 . . . A 81 MET CB . 17927 1 961 . 1 1 81 81 MET CG C 13 32.936 0.029 . 1 . . . A 81 MET CG . 17927 1 962 . 1 1 81 81 MET CE C 13 17.853 0.014 . 1 . . . A 81 MET CE . 17927 1 963 . 1 1 81 81 MET N N 15 119.670 0.021 . 1 . . . A 81 MET N . 17927 1 964 . 1 1 82 82 VAL H H 1 8.338 0.001 . 1 . . . A 82 VAL H . 17927 1 965 . 1 1 82 82 VAL HA H 1 3.303 0.008 . 1 . . . A 82 VAL HA . 17927 1 966 . 1 1 82 82 VAL HB H 1 1.511 0.011 . 1 . . . A 82 VAL HB . 17927 1 967 . 1 1 82 82 VAL HG11 H 1 0.699 0.007 . 2 . . . A 82 VAL HG11 . 17927 1 968 . 1 1 82 82 VAL HG12 H 1 0.699 0.007 . 2 . . . A 82 VAL HG12 . 17927 1 969 . 1 1 82 82 VAL HG13 H 1 0.699 0.007 . 2 . . . A 82 VAL HG13 . 17927 1 970 . 1 1 82 82 VAL HG21 H 1 0.457 0.008 . 2 . . . A 82 VAL HG21 . 17927 1 971 . 1 1 82 82 VAL HG22 H 1 0.457 0.008 . 2 . . . A 82 VAL HG22 . 17927 1 972 . 1 1 82 82 VAL HG23 H 1 0.457 0.008 . 2 . . . A 82 VAL HG23 . 17927 1 973 . 1 1 82 82 VAL C C 13 179.005 0.005 . 1 . . . A 82 VAL C . 17927 1 974 . 1 1 82 82 VAL CA C 13 67.037 0.093 . 1 . . . A 82 VAL CA . 17927 1 975 . 1 1 82 82 VAL CB C 13 31.765 0.086 . 1 . . . A 82 VAL CB . 17927 1 976 . 1 1 82 82 VAL CG1 C 13 22.000 0.005 . 2 . . . A 82 VAL CG1 . 17927 1 977 . 1 1 82 82 VAL CG2 C 13 21.998 0.006 . 2 . . . A 82 VAL CG2 . 17927 1 978 . 1 1 82 82 VAL N N 15 117.634 0.019 . 1 . . . A 82 VAL N . 17927 1 979 . 1 1 83 83 THR H H 1 7.659 0.003 . 1 . . . A 83 THR H . 17927 1 980 . 1 1 83 83 THR HA H 1 3.983 0.006 . 1 . . . A 83 THR HA . 17927 1 981 . 1 1 83 83 THR HB H 1 4.161 0.007 . 1 . . . A 83 THR HB . 17927 1 982 . 1 1 83 83 THR HG21 H 1 1.231 0.007 . 1 . . . A 83 THR HG21 . 17927 1 983 . 1 1 83 83 THR HG22 H 1 1.231 0.007 . 1 . . . A 83 THR HG22 . 17927 1 984 . 1 1 83 83 THR HG23 H 1 1.231 0.007 . 1 . . . A 83 THR HG23 . 17927 1 985 . 1 1 83 83 THR C C 13 177.591 0.000 . 1 . . . A 83 THR C . 17927 1 986 . 1 1 83 83 THR CA C 13 65.431 0.119 . 1 . . . A 83 THR CA . 17927 1 987 . 1 1 83 83 THR CB C 13 69.156 0.147 . 1 . . . A 83 THR CB . 17927 1 988 . 1 1 83 83 THR CG2 C 13 21.324 0.004 . 1 . . . A 83 THR CG2 . 17927 1 989 . 1 1 83 83 THR N N 15 110.519 0.028 . 1 . . . A 83 THR N . 17927 1 990 . 1 1 84 84 LYS H H 1 8.665 0.002 . 1 . . . A 84 LYS H . 17927 1 991 . 1 1 84 84 LYS HA H 1 4.069 0.005 . 1 . . . A 84 LYS HA . 17927 1 992 . 1 1 84 84 LYS HB2 H 1 1.994 0.000 . 2 . . . A 84 LYS HB2 . 17927 1 993 . 1 1 84 84 LYS HB3 H 1 1.845 0.010 . 2 . . . A 84 LYS HB3 . 17927 1 994 . 1 1 84 84 LYS HG2 H 1 1.509 0.007 . 1 . . . A 84 LYS HG2 . 17927 1 995 . 1 1 84 84 LYS HG3 H 1 1.509 0.007 . 1 . . . A 84 LYS HG3 . 17927 1 996 . 1 1 84 84 LYS HD2 H 1 1.662 0.019 . 1 . . . A 84 LYS HD2 . 17927 1 997 . 1 1 84 84 LYS HD3 H 1 1.662 0.019 . 1 . . . A 84 LYS HD3 . 17927 1 998 . 1 1 84 84 LYS HE2 H 1 3.017 0.000 . 1 . . . A 84 LYS HE2 . 17927 1 999 . 1 1 84 84 LYS HE3 H 1 3.017 0.000 . 1 . . . A 84 LYS HE3 . 17927 1 1000 . 1 1 84 84 LYS C C 13 178.582 0.011 . 1 . . . A 84 LYS C . 17927 1 1001 . 1 1 84 84 LYS CA C 13 59.877 0.126 . 1 . . . A 84 LYS CA . 17927 1 1002 . 1 1 84 84 LYS CB C 13 32.323 0.101 . 1 . . . A 84 LYS CB . 17927 1 1003 . 1 1 84 84 LYS CG C 13 25.023 0.000 . 1 . . . A 84 LYS CG . 17927 1 1004 . 1 1 84 84 LYS CD C 13 28.893 0.000 . 1 . . . A 84 LYS CD . 17927 1 1005 . 1 1 84 84 LYS CE C 13 41.974 0.000 . 1 . . . A 84 LYS CE . 17927 1 1006 . 1 1 84 84 LYS N N 15 123.927 0.020 . 1 . . . A 84 LYS N . 17927 1 1007 . 1 1 85 85 ASP H H 1 8.179 0.001 . 1 . . . A 85 ASP H . 17927 1 1008 . 1 1 85 85 ASP HA H 1 4.750 0.007 . 1 . . . A 85 ASP HA . 17927 1 1009 . 1 1 85 85 ASP HB2 H 1 2.700 0.010 . 1 . . . A 85 ASP HB2 . 17927 1 1010 . 1 1 85 85 ASP HB3 H 1 2.699 0.011 . 1 . . . A 85 ASP HB3 . 17927 1 1011 . 1 1 85 85 ASP C C 13 175.086 0.005 . 1 . . . A 85 ASP C . 17927 1 1012 . 1 1 85 85 ASP CA C 13 54.693 0.076 . 1 . . . A 85 ASP CA . 17927 1 1013 . 1 1 85 85 ASP CB C 13 39.685 0.064 . 1 . . . A 85 ASP CB . 17927 1 1014 . 1 1 85 85 ASP N N 15 116.280 0.015 . 1 . . . A 85 ASP N . 17927 1 1015 . 1 1 86 86 GLN H H 1 7.431 0.002 . 1 . . . A 86 GLN H . 17927 1 1016 . 1 1 86 86 GLN HA H 1 3.908 0.008 . 1 . . . A 86 GLN HA . 17927 1 1017 . 1 1 86 86 GLN HB2 H 1 2.154 0.007 . 2 . . . A 86 GLN HB2 . 17927 1 1018 . 1 1 86 86 GLN HB3 H 1 2.037 0.009 . 2 . . . A 86 GLN HB3 . 17927 1 1019 . 1 1 86 86 GLN HG2 H 1 2.289 0.008 . 1 . . . A 86 GLN HG2 . 17927 1 1020 . 1 1 86 86 GLN HG3 H 1 2.289 0.008 . 1 . . . A 86 GLN HG3 . 17927 1 1021 . 1 1 86 86 GLN HE21 H 1 7.709 0.002 . 1 . . . A 86 GLN HE21 . 17927 1 1022 . 1 1 86 86 GLN HE22 H 1 6.862 0.003 . 1 . . . A 86 GLN HE22 . 17927 1 1023 . 1 1 86 86 GLN C C 13 175.659 0.002 . 1 . . . A 86 GLN C . 17927 1 1024 . 1 1 86 86 GLN CA C 13 56.171 0.114 . 1 . . . A 86 GLN CA . 17927 1 1025 . 1 1 86 86 GLN CB C 13 26.290 0.098 . 1 . . . A 86 GLN CB . 17927 1 1026 . 1 1 86 86 GLN CG C 13 34.186 0.009 . 1 . . . A 86 GLN CG . 17927 1 1027 . 1 1 86 86 GLN N N 15 116.258 0.019 . 1 . . . A 86 GLN N . 17927 1 1028 . 1 1 86 86 GLN NE2 N 15 112.897 0.007 . 1 . . . A 86 GLN NE2 . 17927 1 1029 . 1 1 87 87 LEU H H 1 7.736 0.003 . 1 . . . A 87 LEU H . 17927 1 1030 . 1 1 87 87 LEU HA H 1 4.090 0.010 . 1 . . . A 87 LEU HA . 17927 1 1031 . 1 1 87 87 LEU HB2 H 1 1.595 0.015 . 1 . . . A 87 LEU HB2 . 17927 1 1032 . 1 1 87 87 LEU HB3 H 1 1.595 0.015 . 1 . . . A 87 LEU HB3 . 17927 1 1033 . 1 1 87 87 LEU HG H 1 1.686 0.000 . 1 . . . A 87 LEU HG . 17927 1 1034 . 1 1 87 87 LEU HD11 H 1 0.749 0.008 . 1 . . . A 87 LEU HD11 . 17927 1 1035 . 1 1 87 87 LEU HD12 H 1 0.749 0.008 . 1 . . . A 87 LEU HD12 . 17927 1 1036 . 1 1 87 87 LEU HD13 H 1 0.749 0.008 . 1 . . . A 87 LEU HD13 . 17927 1 1037 . 1 1 87 87 LEU HD21 H 1 0.749 0.008 . 1 . . . A 87 LEU HD21 . 17927 1 1038 . 1 1 87 87 LEU HD22 H 1 0.749 0.008 . 1 . . . A 87 LEU HD22 . 17927 1 1039 . 1 1 87 87 LEU HD23 H 1 0.749 0.008 . 1 . . . A 87 LEU HD23 . 17927 1 1040 . 1 1 87 87 LEU C C 13 178.225 0.006 . 1 . . . A 87 LEU C . 17927 1 1041 . 1 1 87 87 LEU CA C 13 55.932 0.106 . 1 . . . A 87 LEU CA . 17927 1 1042 . 1 1 87 87 LEU CB C 13 41.202 0.114 . 1 . . . A 87 LEU CB . 17927 1 1043 . 1 1 87 87 LEU CG C 13 27.403 0.000 . 1 . . . A 87 LEU CG . 17927 1 1044 . 1 1 87 87 LEU CD1 C 13 23.211 0.007 . 2 . . . A 87 LEU CD1 . 17927 1 1045 . 1 1 87 87 LEU CD2 C 13 26.276 0.008 . 2 . . . A 87 LEU CD2 . 17927 1 1046 . 1 1 87 87 LEU N N 15 117.031 0.029 . 1 . . . A 87 LEU N . 17927 1 1047 . 1 1 88 88 LYS H H 1 8.496 0.002 . 1 . . . A 88 LYS H . 17927 1 1048 . 1 1 88 88 LYS HA H 1 4.636 0.005 . 1 . . . A 88 LYS HA . 17927 1 1049 . 1 1 88 88 LYS HB2 H 1 2.011 0.008 . 2 . . . A 88 LYS HB2 . 17927 1 1050 . 1 1 88 88 LYS HB3 H 1 1.781 0.010 . 2 . . . A 88 LYS HB3 . 17927 1 1051 . 1 1 88 88 LYS HG2 H 1 1.642 0.008 . 2 . . . A 88 LYS HG2 . 17927 1 1052 . 1 1 88 88 LYS HG3 H 1 1.525 0.006 . 2 . . . A 88 LYS HG3 . 17927 1 1053 . 1 1 88 88 LYS HD2 H 1 1.669 0.012 . 1 . . . A 88 LYS HD2 . 17927 1 1054 . 1 1 88 88 LYS HD3 H 1 1.669 0.012 . 1 . . . A 88 LYS HD3 . 17927 1 1055 . 1 1 88 88 LYS HE2 H 1 3.033 0.006 . 1 . . . A 88 LYS HE2 . 17927 1 1056 . 1 1 88 88 LYS HE3 H 1 3.033 0.006 . 1 . . . A 88 LYS HE3 . 17927 1 1057 . 1 1 88 88 LYS C C 13 177.538 0.005 . 1 . . . A 88 LYS C . 17927 1 1058 . 1 1 88 88 LYS CA C 13 54.930 0.105 . 1 . . . A 88 LYS CA . 17927 1 1059 . 1 1 88 88 LYS CB C 13 33.316 0.096 . 1 . . . A 88 LYS CB . 17927 1 1060 . 1 1 88 88 LYS CG C 13 24.883 0.000 . 1 . . . A 88 LYS CG . 17927 1 1061 . 1 1 88 88 LYS CD C 13 28.624 0.000 . 1 . . . A 88 LYS CD . 17927 1 1062 . 1 1 88 88 LYS CE C 13 42.097 0.000 . 1 . . . A 88 LYS CE . 17927 1 1063 . 1 1 88 88 LYS N N 15 122.367 0.015 . 1 . . . A 88 LYS N . 17927 1 1064 . 1 1 89 89 GLY H H 1 8.497 0.003 . 1 . . . A 89 GLY H . 17927 1 1065 . 1 1 89 89 GLY HA2 H 1 4.104 0.010 . 2 . . . A 89 GLY HA2 . 17927 1 1066 . 1 1 89 89 GLY HA3 H 1 4.249 0.010 . 2 . . . A 89 GLY HA3 . 17927 1 1067 . 1 1 89 89 GLY C C 13 173.781 0.009 . 1 . . . A 89 GLY C . 17927 1 1068 . 1 1 89 89 GLY CA C 13 45.358 0.153 . 1 . . . A 89 GLY CA . 17927 1 1069 . 1 1 89 89 GLY N N 15 108.452 0.034 . 1 . . . A 89 GLY N . 17927 1 1070 . 1 1 90 90 ILE H H 1 8.728 0.003 . 1 . . . A 90 ILE H . 17927 1 1071 . 1 1 90 90 ILE HA H 1 4.371 0.007 . 1 . . . A 90 ILE HA . 17927 1 1072 . 1 1 90 90 ILE HB H 1 2.143 0.009 . 1 . . . A 90 ILE HB . 17927 1 1073 . 1 1 90 90 ILE HG12 H 1 1.834 0.010 . 2 . . . A 90 ILE HG12 . 17927 1 1074 . 1 1 90 90 ILE HG13 H 1 1.229 0.010 . 2 . . . A 90 ILE HG13 . 17927 1 1075 . 1 1 90 90 ILE HG21 H 1 1.051 0.010 . 1 . . . A 90 ILE HG21 . 17927 1 1076 . 1 1 90 90 ILE HG22 H 1 1.051 0.010 . 1 . . . A 90 ILE HG22 . 17927 1 1077 . 1 1 90 90 ILE HG23 H 1 1.051 0.010 . 1 . . . A 90 ILE HG23 . 17927 1 1078 . 1 1 90 90 ILE HD11 H 1 0.877 0.012 . 1 . . . A 90 ILE HD11 . 17927 1 1079 . 1 1 90 90 ILE HD12 H 1 0.877 0.012 . 1 . . . A 90 ILE HD12 . 17927 1 1080 . 1 1 90 90 ILE HD13 H 1 0.877 0.012 . 1 . . . A 90 ILE HD13 . 17927 1 1081 . 1 1 90 90 ILE C C 13 175.606 0.013 . 1 . . . A 90 ILE C . 17927 1 1082 . 1 1 90 90 ILE CA C 13 62.001 0.100 . 1 . . . A 90 ILE CA . 17927 1 1083 . 1 1 90 90 ILE CB C 13 38.036 0.046 . 1 . . . A 90 ILE CB . 17927 1 1084 . 1 1 90 90 ILE CG1 C 13 27.789 0.012 . 1 . . . A 90 ILE CG1 . 17927 1 1085 . 1 1 90 90 ILE CG2 C 13 17.512 0.014 . 1 . . . A 90 ILE CG2 . 17927 1 1086 . 1 1 90 90 ILE CD1 C 13 14.327 0.014 . 1 . . . A 90 ILE CD1 . 17927 1 1087 . 1 1 90 90 ILE N N 15 123.295 0.032 . 1 . . . A 90 ILE N . 17927 1 1088 . 1 1 91 91 GLN H H 1 8.762 0.002 . 1 . . . A 91 GLN H . 17927 1 1089 . 1 1 91 91 GLN HA H 1 4.766 0.007 . 1 . . . A 91 GLN HA . 17927 1 1090 . 1 1 91 91 GLN HB2 H 1 2.436 0.012 . 2 . . . A 91 GLN HB2 . 17927 1 1091 . 1 1 91 91 GLN HB3 H 1 2.074 0.010 . 2 . . . A 91 GLN HB3 . 17927 1 1092 . 1 1 91 91 GLN HG2 H 1 2.198 0.010 . 1 . . . A 91 GLN HG2 . 17927 1 1093 . 1 1 91 91 GLN HG3 H 1 2.199 0.011 . 1 . . . A 91 GLN HG3 . 17927 1 1094 . 1 1 91 91 GLN HE21 H 1 7.482 0.001 . 1 . . . A 91 GLN HE21 . 17927 1 1095 . 1 1 91 91 GLN HE22 H 1 6.578 0.001 . 1 . . . A 91 GLN HE22 . 17927 1 1096 . 1 1 91 91 GLN C C 13 174.618 0.007 . 1 . . . A 91 GLN C . 17927 1 1097 . 1 1 91 91 GLN CA C 13 54.850 0.139 . 1 . . . A 91 GLN CA . 17927 1 1098 . 1 1 91 91 GLN CB C 13 28.341 0.089 . 1 . . . A 91 GLN CB . 17927 1 1099 . 1 1 91 91 GLN CG C 13 31.150 0.000 . 1 . . . A 91 GLN CG . 17927 1 1100 . 1 1 91 91 GLN N N 15 128.632 0.016 . 1 . . . A 91 GLN N . 17927 1 1101 . 1 1 91 91 GLN NE2 N 15 111.724 0.032 . 1 . . . A 91 GLN NE2 . 17927 1 1102 . 1 1 92 92 LEU H H 1 9.011 0.001 . 1 . . . A 92 LEU H . 17927 1 1103 . 1 1 92 92 LEU HA H 1 5.580 0.008 . 1 . . . A 92 LEU HA . 17927 1 1104 . 1 1 92 92 LEU HB2 H 1 1.726 0.013 . 2 . . . A 92 LEU HB2 . 17927 1 1105 . 1 1 92 92 LEU HB3 H 1 1.227 0.009 . 2 . . . A 92 LEU HB3 . 17927 1 1106 . 1 1 92 92 LEU HD11 H 1 0.852 0.010 . 2 . . . A 92 LEU HD11 . 17927 1 1107 . 1 1 92 92 LEU HD12 H 1 0.852 0.010 . 2 . . . A 92 LEU HD12 . 17927 1 1108 . 1 1 92 92 LEU HD13 H 1 0.852 0.010 . 2 . . . A 92 LEU HD13 . 17927 1 1109 . 1 1 92 92 LEU HD21 H 1 0.826 0.008 . 2 . . . A 92 LEU HD21 . 17927 1 1110 . 1 1 92 92 LEU HD22 H 1 0.826 0.008 . 2 . . . A 92 LEU HD22 . 17927 1 1111 . 1 1 92 92 LEU HD23 H 1 0.826 0.008 . 2 . . . A 92 LEU HD23 . 17927 1 1112 . 1 1 92 92 LEU C C 13 176.828 0.001 . 1 . . . A 92 LEU C . 17927 1 1113 . 1 1 92 92 LEU CA C 13 52.801 0.080 . 1 . . . A 92 LEU CA . 17927 1 1114 . 1 1 92 92 LEU CB C 13 44.210 0.085 . 1 . . . A 92 LEU CB . 17927 1 1115 . 1 1 92 92 LEU CD1 C 13 22.780 0.017 . 2 . . . A 92 LEU CD1 . 17927 1 1116 . 1 1 92 92 LEU CD2 C 13 24.981 0.018 . 2 . . . A 92 LEU CD2 . 17927 1 1117 . 1 1 92 92 LEU N N 15 120.830 0.012 . 1 . . . A 92 LEU N . 17927 1 1118 . 1 1 93 93 HIS H H 1 8.038 0.002 . 1 . . . A 93 HIS H . 17927 1 1119 . 1 1 93 93 HIS HA H 1 3.931 0.009 . 1 . . . A 93 HIS HA . 17927 1 1120 . 1 1 93 93 HIS HB2 H 1 0.168 0.008 . 2 . . . A 93 HIS HB2 . 17927 1 1121 . 1 1 93 93 HIS HB3 H 1 2.074 0.013 . 2 . . . A 93 HIS HB3 . 17927 1 1122 . 1 1 93 93 HIS HD2 H 1 6.170 0.006 . 1 . . . A 93 HIS HD2 . 17927 1 1123 . 1 1 93 93 HIS HE1 H 1 7.716 0.005 . 1 . . . A 93 HIS HE1 . 17927 1 1124 . 1 1 93 93 HIS C C 13 173.590 0.001 . 1 . . . A 93 HIS C . 17927 1 1125 . 1 1 93 93 HIS CA C 13 56.583 0.097 . 1 . . . A 93 HIS CA . 17927 1 1126 . 1 1 93 93 HIS CB C 13 32.250 0.061 . 1 . . . A 93 HIS CB . 17927 1 1127 . 1 1 93 93 HIS CD2 C 13 115.742 0.030 . 1 . . . A 93 HIS CD2 . 17927 1 1128 . 1 1 93 93 HIS CE1 C 13 137.073 0.016 . 1 . . . A 93 HIS CE1 . 17927 1 1129 . 1 1 93 93 HIS N N 15 121.481 0.045 . 1 . . . A 93 HIS N . 17927 1 1130 . 1 1 94 94 MET H H 1 8.039 0.002 . 1 . . . A 94 MET H . 17927 1 1131 . 1 1 94 94 MET HA H 1 3.866 0.008 . 1 . . . A 94 MET HA . 17927 1 1132 . 1 1 94 94 MET HB2 H 1 1.500 0.020 . 2 . . . A 94 MET HB2 . 17927 1 1133 . 1 1 94 94 MET HB3 H 1 1.136 0.008 . 2 . . . A 94 MET HB3 . 17927 1 1134 . 1 1 94 94 MET HG2 H 1 1.447 0.007 . 2 . . . A 94 MET HG2 . 17927 1 1135 . 1 1 94 94 MET HG3 H 1 0.456 0.007 . 2 . . . A 94 MET HG3 . 17927 1 1136 . 1 1 94 94 MET HE1 H 1 1.594 0.010 . 1 . . . A 94 MET HE1 . 17927 1 1137 . 1 1 94 94 MET HE2 H 1 1.594 0.010 . 1 . . . A 94 MET HE2 . 17927 1 1138 . 1 1 94 94 MET HE3 H 1 1.594 0.010 . 1 . . . A 94 MET HE3 . 17927 1 1139 . 1 1 94 94 MET C C 13 177.035 0.044 . 1 . . . A 94 MET C . 17927 1 1140 . 1 1 94 94 MET CA C 13 55.189 0.093 . 1 . . . A 94 MET CA . 17927 1 1141 . 1 1 94 94 MET CB C 13 33.993 0.064 . 1 . . . A 94 MET CB . 17927 1 1142 . 1 1 94 94 MET CG C 13 30.257 0.013 . 1 . . . A 94 MET CG . 17927 1 1143 . 1 1 94 94 MET CE C 13 16.637 0.008 . 1 . . . A 94 MET CE . 17927 1 1144 . 1 1 94 94 MET N N 15 121.881 0.061 . 1 . . . A 94 MET N . 17927 1 1145 . 1 1 95 95 GLY H H 1 5.666 0.003 . 1 . . . A 95 GLY H . 17927 1 1146 . 1 1 95 95 GLY HA2 H 1 3.396 0.012 . 2 . . . A 95 GLY HA2 . 17927 1 1147 . 1 1 95 95 GLY HA3 H 1 3.730 0.006 . 2 . . . A 95 GLY HA3 . 17927 1 1148 . 1 1 95 95 GLY C C 13 174.251 0.012 . 1 . . . A 95 GLY C . 17927 1 1149 . 1 1 95 95 GLY CA C 13 46.580 0.128 . 1 . . . A 95 GLY CA . 17927 1 1150 . 1 1 95 95 GLY N N 15 104.041 0.027 . 1 . . . A 95 GLY N . 17927 1 1151 . 1 1 96 96 THR H H 1 8.517 0.002 . 1 . . . A 96 THR H . 17927 1 1152 . 1 1 96 96 THR HA H 1 4.211 0.006 . 1 . . . A 96 THR HA . 17927 1 1153 . 1 1 96 96 THR HB H 1 4.586 0.005 . 1 . . . A 96 THR HB . 17927 1 1154 . 1 1 96 96 THR HG21 H 1 1.260 0.005 . 1 . . . A 96 THR HG21 . 17927 1 1155 . 1 1 96 96 THR HG22 H 1 1.260 0.005 . 1 . . . A 96 THR HG22 . 17927 1 1156 . 1 1 96 96 THR HG23 H 1 1.260 0.005 . 1 . . . A 96 THR HG23 . 17927 1 1157 . 1 1 96 96 THR C C 13 175.122 0.031 . 1 . . . A 96 THR C . 17927 1 1158 . 1 1 96 96 THR CA C 13 61.339 0.113 . 1 . . . A 96 THR CA . 17927 1 1159 . 1 1 96 96 THR CB C 13 68.615 0.158 . 1 . . . A 96 THR CB . 17927 1 1160 . 1 1 96 96 THR CG2 C 13 21.780 0.005 . 1 . . . A 96 THR CG2 . 17927 1 1161 . 1 1 96 96 THR N N 15 114.114 0.026 . 1 . . . A 96 THR N . 17927 1 1162 . 1 1 97 97 ASP H H 1 7.563 0.001 . 1 . . . A 97 ASP H . 17927 1 1163 . 1 1 97 97 ASP HA H 1 4.585 0.007 . 1 . . . A 97 ASP HA . 17927 1 1164 . 1 1 97 97 ASP HB2 H 1 3.015 0.013 . 1 . . . A 97 ASP HB2 . 17927 1 1165 . 1 1 97 97 ASP HB3 H 1 3.015 0.013 . 1 . . . A 97 ASP HB3 . 17927 1 1166 . 1 1 97 97 ASP C C 13 178.241 0.008 . 1 . . . A 97 ASP C . 17927 1 1167 . 1 1 97 97 ASP CA C 13 55.800 0.077 . 1 . . . A 97 ASP CA . 17927 1 1168 . 1 1 97 97 ASP CB C 13 43.129 0.091 . 1 . . . A 97 ASP CB . 17927 1 1169 . 1 1 97 97 ASP N N 15 121.892 0.021 . 1 . . . A 97 ASP N . 17927 1 1170 . 1 1 98 98 ARG H H 1 9.225 0.003 . 1 . . . A 98 ARG H . 17927 1 1171 . 1 1 98 98 ARG HA H 1 4.392 0.007 . 1 . . . A 98 ARG HA . 17927 1 1172 . 1 1 98 98 ARG HB2 H 1 2.287 0.012 . 2 . . . A 98 ARG HB2 . 17927 1 1173 . 1 1 98 98 ARG HB3 H 1 1.804 0.008 . 2 . . . A 98 ARG HB3 . 17927 1 1174 . 1 1 98 98 ARG HG2 H 1 1.666 0.010 . 1 . . . A 98 ARG HG2 . 17927 1 1175 . 1 1 98 98 ARG HG3 H 1 1.666 0.010 . 1 . . . A 98 ARG HG3 . 17927 1 1176 . 1 1 98 98 ARG HD2 H 1 3.274 0.006 . 1 . . . A 98 ARG HD2 . 17927 1 1177 . 1 1 98 98 ARG HD3 H 1 3.274 0.006 . 1 . . . A 98 ARG HD3 . 17927 1 1178 . 1 1 98 98 ARG HE H 1 7.630 0.003 . 1 . . . A 98 ARG HE . 17927 1 1179 . 1 1 98 98 ARG C C 13 176.724 0.002 . 1 . . . A 98 ARG C . 17927 1 1180 . 1 1 98 98 ARG CA C 13 55.939 0.119 . 1 . . . A 98 ARG CA . 17927 1 1181 . 1 1 98 98 ARG CB C 13 30.291 0.094 . 1 . . . A 98 ARG CB . 17927 1 1182 . 1 1 98 98 ARG CG C 13 27.132 0.057 . 1 . . . A 98 ARG CG . 17927 1 1183 . 1 1 98 98 ARG CD C 13 42.366 0.011 . 1 . . . A 98 ARG CD . 17927 1 1184 . 1 1 98 98 ARG N N 15 127.508 0.018 . 1 . . . A 98 ARG N . 17927 1 1185 . 1 1 98 98 ARG NE N 15 84.046 0.073 . 1 . . . A 98 ARG NE . 17927 1 1186 . 1 1 99 99 THR H H 1 8.382 0.002 . 1 . . . A 99 THR H . 17927 1 1187 . 1 1 99 99 THR HA H 1 3.987 0.007 . 1 . . . A 99 THR HA . 17927 1 1188 . 1 1 99 99 THR HB H 1 4.414 0.009 . 1 . . . A 99 THR HB . 17927 1 1189 . 1 1 99 99 THR HG21 H 1 1.456 0.006 . 1 . . . A 99 THR HG21 . 17927 1 1190 . 1 1 99 99 THR HG22 H 1 1.456 0.006 . 1 . . . A 99 THR HG22 . 17927 1 1191 . 1 1 99 99 THR HG23 H 1 1.456 0.006 . 1 . . . A 99 THR HG23 . 17927 1 1192 . 1 1 99 99 THR C C 13 176.969 0.000 . 1 . . . A 99 THR C . 17927 1 1193 . 1 1 99 99 THR CA C 13 67.714 0.115 . 1 . . . A 99 THR CA . 17927 1 1194 . 1 1 99 99 THR CB C 13 68.777 0.116 . 1 . . . A 99 THR CB . 17927 1 1195 . 1 1 99 99 THR CG2 C 13 21.759 0.007 . 1 . . . A 99 THR CG2 . 17927 1 1196 . 1 1 99 99 THR N N 15 116.384 0.015 . 1 . . . A 99 THR N . 17927 1 1197 . 1 1 100 100 PHE H H 1 7.998 0.001 . 1 . . . A 100 PHE H . 17927 1 1198 . 1 1 100 100 PHE HA H 1 4.173 0.006 . 1 . . . A 100 PHE HA . 17927 1 1199 . 1 1 100 100 PHE HB2 H 1 3.288 0.011 . 2 . . . A 100 PHE HB2 . 17927 1 1200 . 1 1 100 100 PHE HB3 H 1 2.958 0.016 . 2 . . . A 100 PHE HB3 . 17927 1 1201 . 1 1 100 100 PHE HD1 H 1 6.620 0.017 . 3 . . . A 100 PHE HD1 . 17927 1 1202 . 1 1 100 100 PHE HD2 H 1 6.620 0.017 . 3 . . . A 100 PHE HD2 . 17927 1 1203 . 1 1 100 100 PHE HE1 H 1 6.645 0.011 . 3 . . . A 100 PHE HE1 . 17927 1 1204 . 1 1 100 100 PHE HE2 H 1 6.645 0.011 . 3 . . . A 100 PHE HE2 . 17927 1 1205 . 1 1 100 100 PHE HZ H 1 6.387 0.010 . 1 . . . A 100 PHE HZ . 17927 1 1206 . 1 1 100 100 PHE C C 13 177.010 0.015 . 1 . . . A 100 PHE C . 17927 1 1207 . 1 1 100 100 PHE CA C 13 61.923 0.088 . 1 . . . A 100 PHE CA . 17927 1 1208 . 1 1 100 100 PHE CB C 13 40.762 0.057 . 1 . . . A 100 PHE CB . 17927 1 1209 . 1 1 100 100 PHE CD1 C 13 131.206 0.000 . 3 . . . A 100 PHE CD1 . 17927 1 1210 . 1 1 100 100 PHE CD2 C 13 131.206 0.000 . 3 . . . A 100 PHE CD2 . 17927 1 1211 . 1 1 100 100 PHE CE1 C 13 131.097 0.000 . 3 . . . A 100 PHE CE1 . 17927 1 1212 . 1 1 100 100 PHE CE2 C 13 131.097 0.000 . 3 . . . A 100 PHE CE2 . 17927 1 1213 . 1 1 100 100 PHE CZ C 13 128.781 0.023 . 1 . . . A 100 PHE CZ . 17927 1 1214 . 1 1 100 100 PHE N N 15 123.232 0.023 . 1 . . . A 100 PHE N . 17927 1 1215 . 1 1 101 101 MET H H 1 7.828 0.002 . 1 . . . A 101 MET H . 17927 1 1216 . 1 1 101 101 MET HA H 1 3.975 0.009 . 1 . . . A 101 MET HA . 17927 1 1217 . 1 1 101 101 MET HB2 H 1 2.148 0.000 . 2 . . . A 101 MET HB2 . 17927 1 1218 . 1 1 101 101 MET HB3 H 1 1.964 0.004 . 2 . . . A 101 MET HB3 . 17927 1 1219 . 1 1 101 101 MET HG2 H 1 2.725 0.007 . 1 . . . A 101 MET HG2 . 17927 1 1220 . 1 1 101 101 MET HG3 H 1 2.725 0.007 . 1 . . . A 101 MET HG3 . 17927 1 1221 . 1 1 101 101 MET HE1 H 1 1.990 0.007 . 1 . . . A 101 MET HE1 . 17927 1 1222 . 1 1 101 101 MET HE2 H 1 1.990 0.007 . 1 . . . A 101 MET HE2 . 17927 1 1223 . 1 1 101 101 MET HE3 H 1 1.990 0.007 . 1 . . . A 101 MET HE3 . 17927 1 1224 . 1 1 101 101 MET C C 13 178.763 0.020 . 1 . . . A 101 MET C . 17927 1 1225 . 1 1 101 101 MET CA C 13 58.552 0.107 . 1 . . . A 101 MET CA . 17927 1 1226 . 1 1 101 101 MET CB C 13 32.593 0.049 . 1 . . . A 101 MET CB . 17927 1 1227 . 1 1 101 101 MET CG C 13 32.940 0.012 . 1 . . . A 101 MET CG . 17927 1 1228 . 1 1 101 101 MET CE C 13 17.891 0.013 . 1 . . . A 101 MET CE . 17927 1 1229 . 1 1 101 101 MET N N 15 115.968 0.017 . 1 . . . A 101 MET N . 17927 1 1230 . 1 1 102 102 ASP H H 1 8.828 0.002 . 1 . . . A 102 ASP H . 17927 1 1231 . 1 1 102 102 ASP HA H 1 4.522 0.006 . 1 . . . A 102 ASP HA . 17927 1 1232 . 1 1 102 102 ASP HB2 H 1 2.736 0.009 . 2 . . . A 102 ASP HB2 . 17927 1 1233 . 1 1 102 102 ASP HB3 H 1 2.639 0.008 . 2 . . . A 102 ASP HB3 . 17927 1 1234 . 1 1 102 102 ASP C C 13 179.503 0.010 . 1 . . . A 102 ASP C . 17927 1 1235 . 1 1 102 102 ASP CA C 13 56.890 0.090 . 1 . . . A 102 ASP CA . 17927 1 1236 . 1 1 102 102 ASP CB C 13 39.926 0.109 . 1 . . . A 102 ASP CB . 17927 1 1237 . 1 1 102 102 ASP N N 15 117.553 0.017 . 1 . . . A 102 ASP N . 17927 1 1238 . 1 1 103 103 ALA H H 1 7.567 0.003 . 1 . . . A 103 ALA H . 17927 1 1239 . 1 1 103 103 ALA HA H 1 3.986 0.007 . 1 . . . A 103 ALA HA . 17927 1 1240 . 1 1 103 103 ALA HB1 H 1 1.296 0.009 . 1 . . . A 103 ALA HB1 . 17927 1 1241 . 1 1 103 103 ALA HB2 H 1 1.296 0.009 . 1 . . . A 103 ALA HB2 . 17927 1 1242 . 1 1 103 103 ALA HB3 H 1 1.296 0.009 . 1 . . . A 103 ALA HB3 . 17927 1 1243 . 1 1 103 103 ALA C C 13 178.782 0.008 . 1 . . . A 103 ALA C . 17927 1 1244 . 1 1 103 103 ALA CA C 13 55.094 0.102 . 1 . . . A 103 ALA CA . 17927 1 1245 . 1 1 103 103 ALA CB C 13 18.563 0.113 . 1 . . . A 103 ALA CB . 17927 1 1246 . 1 1 103 103 ALA N N 15 122.984 0.026 . 1 . . . A 103 ALA N . 17927 1 1247 . 1 1 104 104 TYR H H 1 7.203 0.002 . 1 . . . A 104 TYR H . 17927 1 1248 . 1 1 104 104 TYR HA H 1 4.224 0.006 . 1 . . . A 104 TYR HA . 17927 1 1249 . 1 1 104 104 TYR HB2 H 1 3.045 0.011 . 2 . . . A 104 TYR HB2 . 17927 1 1250 . 1 1 104 104 TYR HB3 H 1 2.070 0.013 . 2 . . . A 104 TYR HB3 . 17927 1 1251 . 1 1 104 104 TYR HD1 H 1 6.471 0.004 . 3 . . . A 104 TYR HD1 . 17927 1 1252 . 1 1 104 104 TYR HD2 H 1 6.471 0.004 . 3 . . . A 104 TYR HD2 . 17927 1 1253 . 1 1 104 104 TYR HE1 H 1 6.378 0.008 . 3 . . . A 104 TYR HE1 . 17927 1 1254 . 1 1 104 104 TYR HE2 H 1 6.378 0.008 . 3 . . . A 104 TYR HE2 . 17927 1 1255 . 1 1 104 104 TYR C C 13 173.821 0.000 . 1 . . . A 104 TYR C . 17927 1 1256 . 1 1 104 104 TYR CA C 13 58.498 0.085 . 1 . . . A 104 TYR CA . 17927 1 1257 . 1 1 104 104 TYR CB C 13 38.393 0.055 . 1 . . . A 104 TYR CB . 17927 1 1258 . 1 1 104 104 TYR CD1 C 13 132.687 0.020 . 3 . . . A 104 TYR CD1 . 17927 1 1259 . 1 1 104 104 TYR CD2 C 13 132.687 0.020 . 3 . . . A 104 TYR CD2 . 17927 1 1260 . 1 1 104 104 TYR CE1 C 13 117.812 0.018 . 3 . . . A 104 TYR CE1 . 17927 1 1261 . 1 1 104 104 TYR CE2 C 13 117.812 0.018 . 3 . . . A 104 TYR CE2 . 17927 1 1262 . 1 1 104 104 TYR N N 15 112.159 0.018 . 1 . . . A 104 TYR N . 17927 1 1263 . 1 1 105 105 LEU H H 1 7.582 0.002 . 1 . . . A 105 LEU H . 17927 1 1264 . 1 1 105 105 LEU HA H 1 3.985 0.007 . 1 . . . A 105 LEU HA . 17927 1 1265 . 1 1 105 105 LEU HB2 H 1 1.974 0.009 . 2 . . . A 105 LEU HB2 . 17927 1 1266 . 1 1 105 105 LEU HB3 H 1 1.601 0.011 . 2 . . . A 105 LEU HB3 . 17927 1 1267 . 1 1 105 105 LEU HD11 H 1 0.912 0.005 . 2 . . . A 105 LEU HD11 . 17927 1 1268 . 1 1 105 105 LEU HD12 H 1 0.912 0.005 . 2 . . . A 105 LEU HD12 . 17927 1 1269 . 1 1 105 105 LEU HD13 H 1 0.912 0.005 . 2 . . . A 105 LEU HD13 . 17927 1 1270 . 1 1 105 105 LEU HD21 H 1 0.915 0.010 . 2 . . . A 105 LEU HD21 . 17927 1 1271 . 1 1 105 105 LEU HD22 H 1 0.915 0.010 . 2 . . . A 105 LEU HD22 . 17927 1 1272 . 1 1 105 105 LEU HD23 H 1 0.915 0.010 . 2 . . . A 105 LEU HD23 . 17927 1 1273 . 1 1 105 105 LEU C C 13 176.721 0.012 . 1 . . . A 105 LEU C . 17927 1 1274 . 1 1 105 105 LEU CA C 13 55.785 0.112 . 1 . . . A 105 LEU CA . 17927 1 1275 . 1 1 105 105 LEU CB C 13 38.443 0.059 . 1 . . . A 105 LEU CB . 17927 1 1276 . 1 1 105 105 LEU CD1 C 13 25.459 0.022 . 2 . . . A 105 LEU CD1 . 17927 1 1277 . 1 1 105 105 LEU CD2 C 13 23.736 0.000 . 2 . . . A 105 LEU CD2 . 17927 1 1278 . 1 1 105 105 LEU N N 15 119.433 0.019 . 1 . . . A 105 LEU N . 17927 1 1279 . 1 1 106 106 ILE H H 1 8.774 0.002 . 1 . . . A 106 ILE H . 17927 1 1280 . 1 1 106 106 ILE HA H 1 4.002 0.007 . 1 . . . A 106 ILE HA . 17927 1 1281 . 1 1 106 106 ILE HB H 1 2.090 0.004 . 1 . . . A 106 ILE HB . 17927 1 1282 . 1 1 106 106 ILE HG21 H 1 0.813 0.010 . 1 . . . A 106 ILE HG21 . 17927 1 1283 . 1 1 106 106 ILE HG22 H 1 0.813 0.010 . 1 . . . A 106 ILE HG22 . 17927 1 1284 . 1 1 106 106 ILE HG23 H 1 0.813 0.010 . 1 . . . A 106 ILE HG23 . 17927 1 1285 . 1 1 106 106 ILE HD11 H 1 0.900 0.006 . 1 . . . A 106 ILE HD11 . 17927 1 1286 . 1 1 106 106 ILE HD12 H 1 0.900 0.006 . 1 . . . A 106 ILE HD12 . 17927 1 1287 . 1 1 106 106 ILE HD13 H 1 0.900 0.006 . 1 . . . A 106 ILE HD13 . 17927 1 1288 . 1 1 106 106 ILE C C 13 175.459 0.010 . 1 . . . A 106 ILE C . 17927 1 1289 . 1 1 106 106 ILE CA C 13 62.043 0.077 . 1 . . . A 106 ILE CA . 17927 1 1290 . 1 1 106 106 ILE CB C 13 36.335 0.071 . 1 . . . A 106 ILE CB . 17927 1 1291 . 1 1 106 106 ILE CG2 C 13 18.378 0.014 . 1 . . . A 106 ILE CG2 . 17927 1 1292 . 1 1 106 106 ILE CD1 C 13 14.304 0.025 . 1 . . . A 106 ILE CD1 . 17927 1 1293 . 1 1 106 106 ILE N N 15 119.575 0.025 . 1 . . . A 106 ILE N . 17927 1 1294 . 1 1 107 107 ASN H H 1 8.364 0.004 . 1 . . . A 107 ASN H . 17927 1 1295 . 1 1 107 107 ASN HA H 1 4.863 0.002 . 1 . . . A 107 ASN HA . 17927 1 1296 . 1 1 107 107 ASN HB2 H 1 2.855 0.005 . 1 . . . A 107 ASN HB2 . 17927 1 1297 . 1 1 107 107 ASN HB3 H 1 2.855 0.005 . 1 . . . A 107 ASN HB3 . 17927 1 1298 . 1 1 107 107 ASN HD21 H 1 7.575 0.002 . 1 . . . A 107 ASN HD21 . 17927 1 1299 . 1 1 107 107 ASN HD22 H 1 6.888 0.003 . 1 . . . A 107 ASN HD22 . 17927 1 1300 . 1 1 107 107 ASN C C 13 174.584 0.000 . 1 . . . A 107 ASN C . 17927 1 1301 . 1 1 107 107 ASN CA C 13 53.112 0.119 . 1 . . . A 107 ASN CA . 17927 1 1302 . 1 1 107 107 ASN CB C 13 38.977 0.111 . 1 . . . A 107 ASN CB . 17927 1 1303 . 1 1 107 107 ASN N N 15 126.514 0.042 . 1 . . . A 107 ASN N . 17927 1 1304 . 1 1 107 107 ASN ND2 N 15 112.477 0.013 . 1 . . . A 107 ASN ND2 . 17927 1 1305 . 1 1 108 108 GLY H H 1 7.678 0.002 . 1 . . . A 108 GLY H . 17927 1 1306 . 1 1 108 108 GLY HA2 H 1 3.993 0.003 . 2 . . . A 108 GLY HA2 . 17927 1 1307 . 1 1 108 108 GLY HA3 H 1 4.123 0.006 . 2 . . . A 108 GLY HA3 . 17927 1 1308 . 1 1 108 108 GLY C C 13 171.245 0.009 . 1 . . . A 108 GLY C . 17927 1 1309 . 1 1 108 108 GLY CA C 13 45.269 0.133 . 1 . . . A 108 GLY CA . 17927 1 1310 . 1 1 108 108 GLY N N 15 108.469 0.036 . 1 . . . A 108 GLY N . 17927 1 1311 . 1 1 109 109 ILE H H 1 7.868 0.004 . 1 . . . A 109 ILE H . 17927 1 1312 . 1 1 109 109 ILE HA H 1 4.406 0.011 . 1 . . . A 109 ILE HA . 17927 1 1313 . 1 1 109 109 ILE HB H 1 1.588 0.005 . 1 . . . A 109 ILE HB . 17927 1 1314 . 1 1 109 109 ILE HG12 H 1 1.515 0.018 . 2 . . . A 109 ILE HG12 . 17927 1 1315 . 1 1 109 109 ILE HG13 H 1 0.985 0.018 . 2 . . . A 109 ILE HG13 . 17927 1 1316 . 1 1 109 109 ILE HG21 H 1 0.615 0.008 . 1 . . . A 109 ILE HG21 . 17927 1 1317 . 1 1 109 109 ILE HG22 H 1 0.615 0.008 . 1 . . . A 109 ILE HG22 . 17927 1 1318 . 1 1 109 109 ILE HG23 H 1 0.615 0.008 . 1 . . . A 109 ILE HG23 . 17927 1 1319 . 1 1 109 109 ILE HD11 H 1 0.324 0.008 . 1 . . . A 109 ILE HD11 . 17927 1 1320 . 1 1 109 109 ILE HD12 H 1 0.324 0.008 . 1 . . . A 109 ILE HD12 . 17927 1 1321 . 1 1 109 109 ILE HD13 H 1 0.324 0.008 . 1 . . . A 109 ILE HD13 . 17927 1 1322 . 1 1 109 109 ILE C C 13 173.498 0.000 . 1 . . . A 109 ILE C . 17927 1 1323 . 1 1 109 109 ILE CA C 13 58.384 0.062 . 1 . . . A 109 ILE CA . 17927 1 1324 . 1 1 109 109 ILE CB C 13 40.322 0.037 . 1 . . . A 109 ILE CB . 17927 1 1325 . 1 1 109 109 ILE CG1 C 13 24.732 0.000 . 1 . . . A 109 ILE CG1 . 17927 1 1326 . 1 1 109 109 ILE CG2 C 13 18.897 0.008 . 1 . . . A 109 ILE CG2 . 17927 1 1327 . 1 1 109 109 ILE CD1 C 13 15.651 0.009 . 1 . . . A 109 ILE CD1 . 17927 1 1328 . 1 1 109 109 ILE N N 15 112.817 0.023 . 1 . . . A 109 ILE N . 17927 1 1329 . 1 1 110 110 PRO HA H 1 4.742 0.011 . 1 . . . A 110 PRO HA . 17927 1 1330 . 1 1 110 110 PRO HB2 H 1 2.809 0.013 . 2 . . . A 110 PRO HB2 . 17927 1 1331 . 1 1 110 110 PRO HB3 H 1 1.962 0.002 . 2 . . . A 110 PRO HB3 . 17927 1 1332 . 1 1 110 110 PRO HG2 H 1 2.005 0.007 . 1 . . . A 110 PRO HG2 . 17927 1 1333 . 1 1 110 110 PRO HG3 H 1 2.005 0.007 . 1 . . . A 110 PRO HG3 . 17927 1 1334 . 1 1 110 110 PRO HD2 H 1 3.770 0.002 . 2 . . . A 110 PRO HD2 . 17927 1 1335 . 1 1 110 110 PRO HD3 H 1 3.547 0.002 . 2 . . . A 110 PRO HD3 . 17927 1 1336 . 1 1 110 110 PRO C C 13 175.715 0.005 . 1 . . . A 110 PRO C . 17927 1 1337 . 1 1 110 110 PRO CA C 13 62.277 0.058 . 1 . . . A 110 PRO CA . 17927 1 1338 . 1 1 110 110 PRO CB C 13 36.368 0.121 . 1 . . . A 110 PRO CB . 17927 1 1339 . 1 1 110 110 PRO CG C 13 24.432 0.015 . 1 . . . A 110 PRO CG . 17927 1 1340 . 1 1 110 110 PRO CD C 13 51.292 0.024 . 1 . . . A 110 PRO CD . 17927 1 1341 . 1 1 111 111 ARG H H 1 7.732 0.004 . 1 . . . A 111 ARG H . 17927 1 1342 . 1 1 111 111 ARG HA H 1 4.469 0.009 . 1 . . . A 111 ARG HA . 17927 1 1343 . 1 1 111 111 ARG HB2 H 1 2.112 0.008 . 2 . . . A 111 ARG HB2 . 17927 1 1344 . 1 1 111 111 ARG HB3 H 1 1.549 0.012 . 2 . . . A 111 ARG HB3 . 17927 1 1345 . 1 1 111 111 ARG HG2 H 1 1.450 0.010 . 2 . . . A 111 ARG HG2 . 17927 1 1346 . 1 1 111 111 ARG HG3 H 1 1.675 0.011 . 2 . . . A 111 ARG HG3 . 17927 1 1347 . 1 1 111 111 ARG HD2 H 1 3.506 0.005 . 2 . . . A 111 ARG HD2 . 17927 1 1348 . 1 1 111 111 ARG HD3 H 1 3.842 0.011 . 2 . . . A 111 ARG HD3 . 17927 1 1349 . 1 1 111 111 ARG HE H 1 7.633 0.005 . 1 . . . A 111 ARG HE . 17927 1 1350 . 1 1 111 111 ARG C C 13 171.541 0.012 . 1 . . . A 111 ARG C . 17927 1 1351 . 1 1 111 111 ARG CA C 13 54.356 0.125 . 1 . . . A 111 ARG CA . 17927 1 1352 . 1 1 111 111 ARG CB C 13 33.430 0.078 . 1 . . . A 111 ARG CB . 17927 1 1353 . 1 1 111 111 ARG CG C 13 27.749 0.000 . 1 . . . A 111 ARG CG . 17927 1 1354 . 1 1 111 111 ARG CD C 13 41.338 0.014 . 1 . . . A 111 ARG CD . 17927 1 1355 . 1 1 111 111 ARG N N 15 122.358 0.024 . 1 . . . A 111 ARG N . 17927 1 1356 . 1 1 111 111 ARG NE N 15 84.041 0.073 . 1 . . . A 111 ARG NE . 17927 1 1357 . 1 1 112 112 PHE H H 1 8.929 0.002 . 1 . . . A 112 PHE H . 17927 1 1358 . 1 1 112 112 PHE HA H 1 5.773 0.013 . 1 . . . A 112 PHE HA . 17927 1 1359 . 1 1 112 112 PHE HB2 H 1 2.656 0.010 . 2 . . . A 112 PHE HB2 . 17927 1 1360 . 1 1 112 112 PHE HB3 H 1 2.559 0.008 . 2 . . . A 112 PHE HB3 . 17927 1 1361 . 1 1 112 112 PHE HD1 H 1 7.060 0.018 . 3 . . . A 112 PHE HD1 . 17927 1 1362 . 1 1 112 112 PHE HD2 H 1 7.060 0.018 . 3 . . . A 112 PHE HD2 . 17927 1 1363 . 1 1 112 112 PHE HE1 H 1 7.133 0.008 . 3 . . . A 112 PHE HE1 . 17927 1 1364 . 1 1 112 112 PHE HE2 H 1 7.133 0.008 . 3 . . . A 112 PHE HE2 . 17927 1 1365 . 1 1 112 112 PHE HZ H 1 7.082 0.008 . 1 . . . A 112 PHE HZ . 17927 1 1366 . 1 1 112 112 PHE C C 13 175.097 0.004 . 1 . . . A 112 PHE C . 17927 1 1367 . 1 1 112 112 PHE CA C 13 55.791 0.070 . 1 . . . A 112 PHE CA . 17927 1 1368 . 1 1 112 112 PHE CB C 13 40.928 0.048 . 1 . . . A 112 PHE CB . 17927 1 1369 . 1 1 112 112 PHE CD1 C 13 133.070 0.000 . 3 . . . A 112 PHE CD1 . 17927 1 1370 . 1 1 112 112 PHE CD2 C 13 133.070 0.000 . 3 . . . A 112 PHE CD2 . 17927 1 1371 . 1 1 112 112 PHE CE1 C 13 130.369 0.000 . 3 . . . A 112 PHE CE1 . 17927 1 1372 . 1 1 112 112 PHE CE2 C 13 130.369 0.000 . 3 . . . A 112 PHE CE2 . 17927 1 1373 . 1 1 112 112 PHE CZ C 13 129.415 0.000 . 1 . . . A 112 PHE CZ . 17927 1 1374 . 1 1 112 112 PHE N N 15 125.103 0.013 . 1 . . . A 112 PHE N . 17927 1 1375 . 1 1 113 113 ILE H H 1 8.873 0.001 . 1 . . . A 113 ILE H . 17927 1 1376 . 1 1 113 113 ILE HA H 1 4.543 0.006 . 1 . . . A 113 ILE HA . 17927 1 1377 . 1 1 113 113 ILE HB H 1 1.450 0.014 . 1 . . . A 113 ILE HB . 17927 1 1378 . 1 1 113 113 ILE HG12 H 1 1.364 0.007 . 2 . . . A 113 ILE HG12 . 17927 1 1379 . 1 1 113 113 ILE HG13 H 1 1.109 0.005 . 2 . . . A 113 ILE HG13 . 17927 1 1380 . 1 1 113 113 ILE HG21 H 1 0.886 0.008 . 1 . . . A 113 ILE HG21 . 17927 1 1381 . 1 1 113 113 ILE HG22 H 1 0.886 0.008 . 1 . . . A 113 ILE HG22 . 17927 1 1382 . 1 1 113 113 ILE HG23 H 1 0.886 0.008 . 1 . . . A 113 ILE HG23 . 17927 1 1383 . 1 1 113 113 ILE HD11 H 1 0.483 0.007 . 1 . . . A 113 ILE HD11 . 17927 1 1384 . 1 1 113 113 ILE HD12 H 1 0.483 0.007 . 1 . . . A 113 ILE HD12 . 17927 1 1385 . 1 1 113 113 ILE HD13 H 1 0.483 0.007 . 1 . . . A 113 ILE HD13 . 17927 1 1386 . 1 1 113 113 ILE C C 13 173.197 0.010 . 1 . . . A 113 ILE C . 17927 1 1387 . 1 1 113 113 ILE CA C 13 60.286 0.051 . 1 . . . A 113 ILE CA . 17927 1 1388 . 1 1 113 113 ILE CB C 13 44.246 0.074 . 1 . . . A 113 ILE CB . 17927 1 1389 . 1 1 113 113 ILE CG1 C 13 28.281 0.023 . 1 . . . A 113 ILE CG1 . 17927 1 1390 . 1 1 113 113 ILE CG2 C 13 18.239 0.020 . 1 . . . A 113 ILE CG2 . 17927 1 1391 . 1 1 113 113 ILE CD1 C 13 14.929 0.013 . 1 . . . A 113 ILE CD1 . 17927 1 1392 . 1 1 113 113 ILE N N 15 123.778 0.023 . 1 . . . A 113 ILE N . 17927 1 1393 . 1 1 114 114 LEU H H 1 8.974 0.002 . 1 . . . A 114 LEU H . 17927 1 1394 . 1 1 114 114 LEU HA H 1 6.014 0.008 . 1 . . . A 114 LEU HA . 17927 1 1395 . 1 1 114 114 LEU HB2 H 1 2.165 0.010 . 2 . . . A 114 LEU HB2 . 17927 1 1396 . 1 1 114 114 LEU HB3 H 1 1.499 0.012 . 2 . . . A 114 LEU HB3 . 17927 1 1397 . 1 1 114 114 LEU HD11 H 1 1.018 0.008 . 2 . . . A 114 LEU HD11 . 17927 1 1398 . 1 1 114 114 LEU HD12 H 1 1.018 0.008 . 2 . . . A 114 LEU HD12 . 17927 1 1399 . 1 1 114 114 LEU HD13 H 1 1.018 0.008 . 2 . . . A 114 LEU HD13 . 17927 1 1400 . 1 1 114 114 LEU HD21 H 1 1.180 0.013 . 2 . . . A 114 LEU HD21 . 17927 1 1401 . 1 1 114 114 LEU HD22 H 1 1.180 0.013 . 2 . . . A 114 LEU HD22 . 17927 1 1402 . 1 1 114 114 LEU HD23 H 1 1.180 0.013 . 2 . . . A 114 LEU HD23 . 17927 1 1403 . 1 1 114 114 LEU C C 13 175.080 0.013 . 1 . . . A 114 LEU C . 17927 1 1404 . 1 1 114 114 LEU CA C 13 53.401 0.047 . 1 . . . A 114 LEU CA . 17927 1 1405 . 1 1 114 114 LEU CB C 13 47.370 0.076 . 1 . . . A 114 LEU CB . 17927 1 1406 . 1 1 114 114 LEU CD1 C 13 26.990 0.026 . 2 . . . A 114 LEU CD1 . 17927 1 1407 . 1 1 114 114 LEU CD2 C 13 23.534 0.045 . 2 . . . A 114 LEU CD2 . 17927 1 1408 . 1 1 114 114 LEU N N 15 127.146 0.035 . 1 . . . A 114 LEU N . 17927 1 1409 . 1 1 115 115 LEU H H 1 9.874 0.001 . 1 . . . A 115 LEU H . 17927 1 1410 . 1 1 115 115 LEU HA H 1 5.432 0.013 . 1 . . . A 115 LEU HA . 17927 1 1411 . 1 1 115 115 LEU HB2 H 1 2.013 0.010 . 2 . . . A 115 LEU HB2 . 17927 1 1412 . 1 1 115 115 LEU HB3 H 1 1.459 0.010 . 2 . . . A 115 LEU HB3 . 17927 1 1413 . 1 1 115 115 LEU HD11 H 1 1.002 0.009 . 2 . . . A 115 LEU HD11 . 17927 1 1414 . 1 1 115 115 LEU HD12 H 1 1.002 0.009 . 2 . . . A 115 LEU HD12 . 17927 1 1415 . 1 1 115 115 LEU HD13 H 1 1.002 0.009 . 2 . . . A 115 LEU HD13 . 17927 1 1416 . 1 1 115 115 LEU HD21 H 1 0.866 0.009 . 2 . . . A 115 LEU HD21 . 17927 1 1417 . 1 1 115 115 LEU HD22 H 1 0.866 0.009 . 2 . . . A 115 LEU HD22 . 17927 1 1418 . 1 1 115 115 LEU HD23 H 1 0.866 0.009 . 2 . . . A 115 LEU HD23 . 17927 1 1419 . 1 1 115 115 LEU C C 13 176.660 0.006 . 1 . . . A 115 LEU C . 17927 1 1420 . 1 1 115 115 LEU CA C 13 53.077 0.063 . 1 . . . A 115 LEU CA . 17927 1 1421 . 1 1 115 115 LEU CB C 13 44.584 0.053 . 1 . . . A 115 LEU CB . 17927 1 1422 . 1 1 115 115 LEU CD1 C 13 26.419 0.037 . 2 . . . A 115 LEU CD1 . 17927 1 1423 . 1 1 115 115 LEU CD2 C 13 24.428 0.025 . 2 . . . A 115 LEU CD2 . 17927 1 1424 . 1 1 115 115 LEU N N 15 128.323 0.028 . 1 . . . A 115 LEU N . 17927 1 1425 . 1 1 116 116 ASP H H 1 9.357 0.002 . 1 . . . A 116 ASP H . 17927 1 1426 . 1 1 116 116 ASP HA H 1 4.935 0.008 . 1 . . . A 116 ASP HA . 17927 1 1427 . 1 1 116 116 ASP HB2 H 1 2.852 0.009 . 2 . . . A 116 ASP HB2 . 17927 1 1428 . 1 1 116 116 ASP HB3 H 1 3.470 0.007 . 2 . . . A 116 ASP HB3 . 17927 1 1429 . 1 1 116 116 ASP C C 13 176.898 0.044 . 1 . . . A 116 ASP C . 17927 1 1430 . 1 1 116 116 ASP CA C 13 52.305 0.057 . 1 . . . A 116 ASP CA . 17927 1 1431 . 1 1 116 116 ASP CB C 13 41.028 0.067 . 1 . . . A 116 ASP CB . 17927 1 1432 . 1 1 116 116 ASP N N 15 119.834 0.008 . 1 . . . A 116 ASP N . 17927 1 1433 . 1 1 117 117 ARG H H 1 7.697 0.003 . 1 . . . A 117 ARG H . 17927 1 1434 . 1 1 117 117 ARG HA H 1 3.717 0.010 . 1 . . . A 117 ARG HA . 17927 1 1435 . 1 1 117 117 ARG HB2 H 1 1.360 0.013 . 1 . . . A 117 ARG HB2 . 17927 1 1436 . 1 1 117 117 ARG HB3 H 1 1.360 0.013 . 1 . . . A 117 ARG HB3 . 17927 1 1437 . 1 1 117 117 ARG HG2 H 1 0.701 0.010 . 2 . . . A 117 ARG HG2 . 17927 1 1438 . 1 1 117 117 ARG HG3 H 1 0.414 0.007 . 2 . . . A 117 ARG HG3 . 17927 1 1439 . 1 1 117 117 ARG HD2 H 1 2.934 0.003 . 1 . . . A 117 ARG HD2 . 17927 1 1440 . 1 1 117 117 ARG HD3 H 1 2.934 0.003 . 1 . . . A 117 ARG HD3 . 17927 1 1441 . 1 1 117 117 ARG HE H 1 7.598 0.000 . 1 . . . A 117 ARG HE . 17927 1 1442 . 1 1 117 117 ARG C C 13 177.105 0.018 . 1 . . . A 117 ARG C . 17927 1 1443 . 1 1 117 117 ARG CA C 13 58.185 0.090 . 1 . . . A 117 ARG CA . 17927 1 1444 . 1 1 117 117 ARG CB C 13 30.437 0.084 . 1 . . . A 117 ARG CB . 17927 1 1445 . 1 1 117 117 ARG CG C 13 28.662 0.038 . 1 . . . A 117 ARG CG . 17927 1 1446 . 1 1 117 117 ARG CD C 13 43.602 0.014 . 1 . . . A 117 ARG CD . 17927 1 1447 . 1 1 117 117 ARG N N 15 113.356 0.080 . 1 . . . A 117 ARG N . 17927 1 1448 . 1 1 117 117 ARG NE N 15 82.944 0.000 . 1 . . . A 117 ARG NE . 17927 1 1449 . 1 1 118 118 ASP H H 1 8.456 0.002 . 1 . . . A 118 ASP H . 17927 1 1450 . 1 1 118 118 ASP HA H 1 4.895 0.005 . 1 . . . A 118 ASP HA . 17927 1 1451 . 1 1 118 118 ASP HB2 H 1 2.810 0.005 . 2 . . . A 118 ASP HB2 . 17927 1 1452 . 1 1 118 118 ASP HB3 H 1 2.627 0.008 . 2 . . . A 118 ASP HB3 . 17927 1 1453 . 1 1 118 118 ASP C C 13 176.657 0.006 . 1 . . . A 118 ASP C . 17927 1 1454 . 1 1 118 118 ASP CA C 13 53.517 0.099 . 1 . . . A 118 ASP CA . 17927 1 1455 . 1 1 118 118 ASP CB C 13 42.556 0.058 . 1 . . . A 118 ASP CB . 17927 1 1456 . 1 1 118 118 ASP N N 15 117.226 0.028 . 1 . . . A 118 ASP N . 17927 1 1457 . 1 1 119 119 GLY H H 1 8.183 0.002 . 1 . . . A 119 GLY H . 17927 1 1458 . 1 1 119 119 GLY HA2 H 1 3.486 0.007 . 2 . . . A 119 GLY HA2 . 17927 1 1459 . 1 1 119 119 GLY HA3 H 1 4.201 0.010 . 2 . . . A 119 GLY HA3 . 17927 1 1460 . 1 1 119 119 GLY C C 13 173.355 0.000 . 1 . . . A 119 GLY C . 17927 1 1461 . 1 1 119 119 GLY CA C 13 46.256 0.053 . 1 . . . A 119 GLY CA . 17927 1 1462 . 1 1 119 119 GLY N N 15 109.074 0.029 . 1 . . . A 119 GLY N . 17927 1 1463 . 1 1 120 120 LYS H H 1 8.449 0.002 . 1 . . . A 120 LYS H . 17927 1 1464 . 1 1 120 120 LYS HA H 1 4.533 0.010 . 1 . . . A 120 LYS HA . 17927 1 1465 . 1 1 120 120 LYS HB2 H 1 2.129 0.014 . 2 . . . A 120 LYS HB2 . 17927 1 1466 . 1 1 120 120 LYS HB3 H 1 1.754 0.011 . 2 . . . A 120 LYS HB3 . 17927 1 1467 . 1 1 120 120 LYS HG2 H 1 1.350 0.008 . 2 . . . A 120 LYS HG2 . 17927 1 1468 . 1 1 120 120 LYS HG3 H 1 1.484 0.006 . 2 . . . A 120 LYS HG3 . 17927 1 1469 . 1 1 120 120 LYS HE2 H 1 3.004 0.000 . 1 . . . A 120 LYS HE2 . 17927 1 1470 . 1 1 120 120 LYS HE3 H 1 3.004 0.000 . 1 . . . A 120 LYS HE3 . 17927 1 1471 . 1 1 120 120 LYS C C 13 177.229 0.004 . 1 . . . A 120 LYS C . 17927 1 1472 . 1 1 120 120 LYS CA C 13 55.287 0.102 . 1 . . . A 120 LYS CA . 17927 1 1473 . 1 1 120 120 LYS CB C 13 32.581 0.069 . 1 . . . A 120 LYS CB . 17927 1 1474 . 1 1 120 120 LYS CG C 13 24.887 0.000 . 1 . . . A 120 LYS CG . 17927 1 1475 . 1 1 120 120 LYS CE C 13 41.964 0.000 . 1 . . . A 120 LYS CE . 17927 1 1476 . 1 1 120 120 LYS N N 15 120.744 0.016 . 1 . . . A 120 LYS N . 17927 1 1477 . 1 1 121 121 ILE H H 1 8.715 0.003 . 1 . . . A 121 ILE H . 17927 1 1478 . 1 1 121 121 ILE HA H 1 3.886 0.007 . 1 . . . A 121 ILE HA . 17927 1 1479 . 1 1 121 121 ILE HB H 1 1.889 0.003 . 1 . . . A 121 ILE HB . 17927 1 1480 . 1 1 121 121 ILE HG12 H 1 1.877 0.007 . 2 . . . A 121 ILE HG12 . 17927 1 1481 . 1 1 121 121 ILE HG13 H 1 1.087 0.012 . 2 . . . A 121 ILE HG13 . 17927 1 1482 . 1 1 121 121 ILE HG21 H 1 0.872 0.016 . 1 . . . A 121 ILE HG21 . 17927 1 1483 . 1 1 121 121 ILE HG22 H 1 0.872 0.016 . 1 . . . A 121 ILE HG22 . 17927 1 1484 . 1 1 121 121 ILE HG23 H 1 0.872 0.016 . 1 . . . A 121 ILE HG23 . 17927 1 1485 . 1 1 121 121 ILE HD11 H 1 0.924 0.009 . 1 . . . A 121 ILE HD11 . 17927 1 1486 . 1 1 121 121 ILE HD12 H 1 0.924 0.009 . 1 . . . A 121 ILE HD12 . 17927 1 1487 . 1 1 121 121 ILE HD13 H 1 0.924 0.009 . 1 . . . A 121 ILE HD13 . 17927 1 1488 . 1 1 121 121 ILE C C 13 177.819 0.008 . 1 . . . A 121 ILE C . 17927 1 1489 . 1 1 121 121 ILE CA C 13 63.915 0.118 . 1 . . . A 121 ILE CA . 17927 1 1490 . 1 1 121 121 ILE CB C 13 39.390 0.055 . 1 . . . A 121 ILE CB . 17927 1 1491 . 1 1 121 121 ILE CG1 C 13 29.047 0.015 . 1 . . . A 121 ILE CG1 . 17927 1 1492 . 1 1 121 121 ILE CG2 C 13 18.204 0.034 . 1 . . . A 121 ILE CG2 . 17927 1 1493 . 1 1 121 121 ILE CD1 C 13 13.978 0.020 . 1 . . . A 121 ILE CD1 . 17927 1 1494 . 1 1 121 121 ILE N N 15 121.221 0.015 . 1 . . . A 121 ILE N . 17927 1 1495 . 1 1 122 122 ILE H H 1 8.974 0.001 . 1 . . . A 122 ILE H . 17927 1 1496 . 1 1 122 122 ILE HA H 1 4.341 0.007 . 1 . . . A 122 ILE HA . 17927 1 1497 . 1 1 122 122 ILE HB H 1 1.646 0.010 . 1 . . . A 122 ILE HB . 17927 1 1498 . 1 1 122 122 ILE HG12 H 1 1.291 0.011 . 2 . . . A 122 ILE HG12 . 17927 1 1499 . 1 1 122 122 ILE HG13 H 1 1.759 0.010 . 2 . . . A 122 ILE HG13 . 17927 1 1500 . 1 1 122 122 ILE HG21 H 1 1.029 0.006 . 1 . . . A 122 ILE HG21 . 17927 1 1501 . 1 1 122 122 ILE HG22 H 1 1.029 0.006 . 1 . . . A 122 ILE HG22 . 17927 1 1502 . 1 1 122 122 ILE HG23 H 1 1.029 0.006 . 1 . . . A 122 ILE HG23 . 17927 1 1503 . 1 1 122 122 ILE HD11 H 1 1.088 0.006 . 1 . . . A 122 ILE HD11 . 17927 1 1504 . 1 1 122 122 ILE HD12 H 1 1.088 0.006 . 1 . . . A 122 ILE HD12 . 17927 1 1505 . 1 1 122 122 ILE HD13 H 1 1.088 0.006 . 1 . . . A 122 ILE HD13 . 17927 1 1506 . 1 1 122 122 ILE C C 13 176.978 0.009 . 1 . . . A 122 ILE C . 17927 1 1507 . 1 1 122 122 ILE CA C 13 63.719 0.081 . 1 . . . A 122 ILE CA . 17927 1 1508 . 1 1 122 122 ILE CB C 13 38.652 0.088 . 1 . . . A 122 ILE CB . 17927 1 1509 . 1 1 122 122 ILE CG1 C 13 28.058 0.037 . 1 . . . A 122 ILE CG1 . 17927 1 1510 . 1 1 122 122 ILE CG2 C 13 17.575 0.015 . 1 . . . A 122 ILE CG2 . 17927 1 1511 . 1 1 122 122 ILE CD1 C 13 13.714 0.014 . 1 . . . A 122 ILE CD1 . 17927 1 1512 . 1 1 122 122 ILE N N 15 127.165 0.020 . 1 . . . A 122 ILE N . 17927 1 1513 . 1 1 123 123 SER H H 1 7.850 0.002 . 1 . . . A 123 SER H . 17927 1 1514 . 1 1 123 123 SER HA H 1 4.738 0.005 . 1 . . . A 123 SER HA . 17927 1 1515 . 1 1 123 123 SER HB2 H 1 3.688 0.006 . 2 . . . A 123 SER HB2 . 17927 1 1516 . 1 1 123 123 SER HB3 H 1 3.971 0.010 . 2 . . . A 123 SER HB3 . 17927 1 1517 . 1 1 123 123 SER C C 13 174.184 0.008 . 1 . . . A 123 SER C . 17927 1 1518 . 1 1 123 123 SER CA C 13 57.383 0.109 . 1 . . . A 123 SER CA . 17927 1 1519 . 1 1 123 123 SER CB C 13 65.326 0.108 . 1 . . . A 123 SER CB . 17927 1 1520 . 1 1 123 123 SER N N 15 111.227 0.028 . 1 . . . A 123 SER N . 17927 1 1521 . 1 1 124 124 ALA H H 1 9.384 0.003 . 1 . . . A 124 ALA H . 17927 1 1522 . 1 1 124 124 ALA HA H 1 4.485 0.009 . 1 . . . A 124 ALA HA . 17927 1 1523 . 1 1 124 124 ALA HB1 H 1 1.601 0.011 . 1 . . . A 124 ALA HB1 . 17927 1 1524 . 1 1 124 124 ALA HB2 H 1 1.601 0.011 . 1 . . . A 124 ALA HB2 . 17927 1 1525 . 1 1 124 124 ALA HB3 H 1 1.601 0.011 . 1 . . . A 124 ALA HB3 . 17927 1 1526 . 1 1 124 124 ALA C C 13 175.147 0.000 . 1 . . . A 124 ALA C . 17927 1 1527 . 1 1 124 124 ALA CA C 13 53.035 0.104 . 1 . . . A 124 ALA CA . 17927 1 1528 . 1 1 124 124 ALA CB C 13 18.662 0.124 . 1 . . . A 124 ALA CB . 17927 1 1529 . 1 1 124 124 ALA N N 15 131.373 0.042 . 1 . . . A 124 ALA N . 17927 1 1530 . 1 1 125 125 ASN H H 1 8.191 0.001 . 1 . . . A 125 ASN H . 17927 1 1531 . 1 1 125 125 ASN HA H 1 5.056 0.008 . 1 . . . A 125 ASN HA . 17927 1 1532 . 1 1 125 125 ASN HB2 H 1 2.902 0.008 . 2 . . . A 125 ASN HB2 . 17927 1 1533 . 1 1 125 125 ASN HB3 H 1 2.592 0.008 . 2 . . . A 125 ASN HB3 . 17927 1 1534 . 1 1 125 125 ASN HD21 H 1 6.904 0.003 . 1 . . . A 125 ASN HD21 . 17927 1 1535 . 1 1 125 125 ASN HD22 H 1 7.698 0.002 . 1 . . . A 125 ASN HD22 . 17927 1 1536 . 1 1 125 125 ASN C C 13 173.593 0.000 . 1 . . . A 125 ASN C . 17927 1 1537 . 1 1 125 125 ASN CA C 13 52.352 0.091 . 1 . . . A 125 ASN CA . 17927 1 1538 . 1 1 125 125 ASN CB C 13 38.304 0.102 . 1 . . . A 125 ASN CB . 17927 1 1539 . 1 1 125 125 ASN N N 15 119.476 0.023 . 1 . . . A 125 ASN N . 17927 1 1540 . 1 1 125 125 ASN ND2 N 15 112.018 0.071 . 1 . . . A 125 ASN ND2 . 17927 1 1541 . 1 1 126 126 MET H H 1 8.376 0.002 . 1 . . . A 126 MET H . 17927 1 1542 . 1 1 126 126 MET HA H 1 4.585 0.007 . 1 . . . A 126 MET HA . 17927 1 1543 . 1 1 126 126 MET HB2 H 1 1.939 0.011 . 1 . . . A 126 MET HB2 . 17927 1 1544 . 1 1 126 126 MET HB3 H 1 1.939 0.011 . 1 . . . A 126 MET HB3 . 17927 1 1545 . 1 1 126 126 MET HG2 H 1 3.554 0.010 . 2 . . . A 126 MET HG2 . 17927 1 1546 . 1 1 126 126 MET HG3 H 1 2.959 0.011 . 2 . . . A 126 MET HG3 . 17927 1 1547 . 1 1 126 126 MET HE1 H 1 2.080 0.010 . 1 . . . A 126 MET HE1 . 17927 1 1548 . 1 1 126 126 MET HE2 H 1 2.080 0.010 . 1 . . . A 126 MET HE2 . 17927 1 1549 . 1 1 126 126 MET HE3 H 1 2.080 0.010 . 1 . . . A 126 MET HE3 . 17927 1 1550 . 1 1 126 126 MET C C 13 175.215 0.004 . 1 . . . A 126 MET C . 17927 1 1551 . 1 1 126 126 MET CA C 13 53.849 0.103 . 1 . . . A 126 MET CA . 17927 1 1552 . 1 1 126 126 MET CB C 13 31.312 0.050 . 1 . . . A 126 MET CB . 17927 1 1553 . 1 1 126 126 MET CG C 13 35.735 0.017 . 1 . . . A 126 MET CG . 17927 1 1554 . 1 1 126 126 MET CE C 13 19.506 0.011 . 1 . . . A 126 MET CE . 17927 1 1555 . 1 1 126 126 MET N N 15 122.705 0.031 . 1 . . . A 126 MET N . 17927 1 1556 . 1 1 127 127 THR H H 1 7.714 0.002 . 1 . . . A 127 THR H . 17927 1 1557 . 1 1 127 127 THR HA H 1 4.291 0.007 . 1 . . . A 127 THR HA . 17927 1 1558 . 1 1 127 127 THR HB H 1 4.286 0.006 . 1 . . . A 127 THR HB . 17927 1 1559 . 1 1 127 127 THR HG21 H 1 1.247 0.011 . 1 . . . A 127 THR HG21 . 17927 1 1560 . 1 1 127 127 THR HG22 H 1 1.247 0.011 . 1 . . . A 127 THR HG22 . 17927 1 1561 . 1 1 127 127 THR HG23 H 1 1.247 0.011 . 1 . . . A 127 THR HG23 . 17927 1 1562 . 1 1 127 127 THR C C 13 174.574 0.008 . 1 . . . A 127 THR C . 17927 1 1563 . 1 1 127 127 THR CA C 13 62.085 0.102 . 1 . . . A 127 THR CA . 17927 1 1564 . 1 1 127 127 THR CB C 13 69.733 0.102 . 1 . . . A 127 THR CB . 17927 1 1565 . 1 1 127 127 THR CG2 C 13 23.017 0.009 . 1 . . . A 127 THR CG2 . 17927 1 1566 . 1 1 127 127 THR N N 15 111.016 0.028 . 1 . . . A 127 THR N . 17927 1 1567 . 1 1 128 128 ARG H H 1 8.658 0.002 . 1 . . . A 128 ARG H . 17927 1 1568 . 1 1 128 128 ARG HA H 1 3.308 0.002 . 1 . . . A 128 ARG HA . 17927 1 1569 . 1 1 128 128 ARG HB2 H 1 1.723 0.005 . 2 . . . A 128 ARG HB2 . 17927 1 1570 . 1 1 128 128 ARG HB3 H 1 1.556 0.008 . 2 . . . A 128 ARG HB3 . 17927 1 1571 . 1 1 128 128 ARG HG2 H 1 1.797 0.006 . 1 . . . A 128 ARG HG2 . 17927 1 1572 . 1 1 128 128 ARG HG3 H 1 1.797 0.006 . 1 . . . A 128 ARG HG3 . 17927 1 1573 . 1 1 128 128 ARG HD2 H 1 3.276 0.007 . 2 . . . A 128 ARG HD2 . 17927 1 1574 . 1 1 128 128 ARG HD3 H 1 3.187 0.006 . 2 . . . A 128 ARG HD3 . 17927 1 1575 . 1 1 128 128 ARG HE H 1 7.376 0.004 . 1 . . . A 128 ARG HE . 17927 1 1576 . 1 1 128 128 ARG C C 13 176.978 0.000 . 1 . . . A 128 ARG C . 17927 1 1577 . 1 1 128 128 ARG CA C 13 54.727 0.056 . 1 . . . A 128 ARG CA . 17927 1 1578 . 1 1 128 128 ARG CB C 13 29.598 0.070 . 1 . . . A 128 ARG CB . 17927 1 1579 . 1 1 128 128 ARG CG C 13 27.539 0.000 . 1 . . . A 128 ARG CG . 17927 1 1580 . 1 1 128 128 ARG CD C 13 43.864 0.014 . 1 . . . A 128 ARG CD . 17927 1 1581 . 1 1 128 128 ARG N N 15 118.722 0.019 . 1 . . . A 128 ARG N . 17927 1 1582 . 1 1 128 128 ARG NE N 15 84.639 0.011 . 1 . . . A 128 ARG NE . 17927 1 1583 . 1 1 129 129 PRO HA H 1 3.933 0.007 . 1 . . . A 129 PRO HA . 17927 1 1584 . 1 1 129 129 PRO HB2 H 1 2.108 0.009 . 2 . . . A 129 PRO HB2 . 17927 1 1585 . 1 1 129 129 PRO HB3 H 1 1.989 0.007 . 2 . . . A 129 PRO HB3 . 17927 1 1586 . 1 1 129 129 PRO HG2 H 1 2.174 0.005 . 2 . . . A 129 PRO HG2 . 17927 1 1587 . 1 1 129 129 PRO HG3 H 1 2.033 0.013 . 2 . . . A 129 PRO HG3 . 17927 1 1588 . 1 1 129 129 PRO HD2 H 1 3.327 0.004 . 2 . . . A 129 PRO HD2 . 17927 1 1589 . 1 1 129 129 PRO HD3 H 1 2.372 0.007 . 2 . . . A 129 PRO HD3 . 17927 1 1590 . 1 1 129 129 PRO C C 13 175.794 0.010 . 1 . . . A 129 PRO C . 17927 1 1591 . 1 1 129 129 PRO CA C 13 66.549 0.063 . 1 . . . A 129 PRO CA . 17927 1 1592 . 1 1 129 129 PRO CB C 13 31.677 0.052 . 1 . . . A 129 PRO CB . 17927 1 1593 . 1 1 129 129 PRO CG C 13 28.811 0.026 . 1 . . . A 129 PRO CG . 17927 1 1594 . 1 1 129 129 PRO CD C 13 50.788 0.012 . 1 . . . A 129 PRO CD . 17927 1 1595 . 1 1 130 130 SER H H 1 8.375 0.002 . 1 . . . A 130 SER H . 17927 1 1596 . 1 1 130 130 SER HA H 1 3.988 0.007 . 1 . . . A 130 SER HA . 17927 1 1597 . 1 1 130 130 SER HB2 H 1 3.989 0.009 . 2 . . . A 130 SER HB2 . 17927 1 1598 . 1 1 130 130 SER HB3 H 1 3.816 0.007 . 2 . . . A 130 SER HB3 . 17927 1 1599 . 1 1 130 130 SER C C 13 174.445 0.000 . 1 . . . A 130 SER C . 17927 1 1600 . 1 1 130 130 SER CA C 13 58.911 0.108 . 1 . . . A 130 SER CA . 17927 1 1601 . 1 1 130 130 SER CB C 13 62.680 0.130 . 1 . . . A 130 SER CB . 17927 1 1602 . 1 1 130 130 SER N N 15 108.696 0.028 . 1 . . . A 130 SER N . 17927 1 1603 . 1 1 131 131 ASP H H 1 7.514 0.001 . 1 . . . A 131 ASP H . 17927 1 1604 . 1 1 131 131 ASP HA H 1 4.872 0.007 . 1 . . . A 131 ASP HA . 17927 1 1605 . 1 1 131 131 ASP HB2 H 1 3.232 0.010 . 2 . . . A 131 ASP HB2 . 17927 1 1606 . 1 1 131 131 ASP HB3 H 1 2.453 0.007 . 2 . . . A 131 ASP HB3 . 17927 1 1607 . 1 1 131 131 ASP C C 13 176.879 0.000 . 1 . . . A 131 ASP C . 17927 1 1608 . 1 1 131 131 ASP CA C 13 51.195 0.069 . 1 . . . A 131 ASP CA . 17927 1 1609 . 1 1 131 131 ASP CB C 13 42.816 0.038 . 1 . . . A 131 ASP CB . 17927 1 1610 . 1 1 131 131 ASP N N 15 126.377 0.019 . 1 . . . A 131 ASP N . 17927 1 1611 . 1 1 132 132 PRO HA H 1 4.392 0.006 . 1 . . . A 132 PRO HA . 17927 1 1612 . 1 1 132 132 PRO HB2 H 1 2.456 0.005 . 2 . . . A 132 PRO HB2 . 17927 1 1613 . 1 1 132 132 PRO HB3 H 1 2.007 0.011 . 2 . . . A 132 PRO HB3 . 17927 1 1614 . 1 1 132 132 PRO HG2 H 1 2.091 0.013 . 1 . . . A 132 PRO HG2 . 17927 1 1615 . 1 1 132 132 PRO HG3 H 1 2.091 0.013 . 1 . . . A 132 PRO HG3 . 17927 1 1616 . 1 1 132 132 PRO HD2 H 1 4.104 0.006 . 1 . . . A 132 PRO HD2 . 17927 1 1617 . 1 1 132 132 PRO HD3 H 1 4.104 0.006 . 1 . . . A 132 PRO HD3 . 17927 1 1618 . 1 1 132 132 PRO C C 13 178.097 0.002 . 1 . . . A 132 PRO C . 17927 1 1619 . 1 1 132 132 PRO CA C 13 65.079 0.063 . 1 . . . A 132 PRO CA . 17927 1 1620 . 1 1 132 132 PRO CB C 13 32.409 0.043 . 1 . . . A 132 PRO CB . 17927 1 1621 . 1 1 132 132 PRO CG C 13 27.397 0.016 . 1 . . . A 132 PRO CG . 17927 1 1622 . 1 1 132 132 PRO CD C 13 51.647 0.012 . 1 . . . A 132 PRO CD . 17927 1 1623 . 1 1 133 133 LYS H H 1 8.842 0.001 . 1 . . . A 133 LYS H . 17927 1 1624 . 1 1 133 133 LYS HA H 1 3.958 0.009 . 1 . . . A 133 LYS HA . 17927 1 1625 . 1 1 133 133 LYS HB2 H 1 1.774 0.010 . 2 . . . A 133 LYS HB2 . 17927 1 1626 . 1 1 133 133 LYS HB3 H 1 1.621 0.014 . 2 . . . A 133 LYS HB3 . 17927 1 1627 . 1 1 133 133 LYS HG2 H 1 1.605 0.013 . 2 . . . A 133 LYS HG2 . 17927 1 1628 . 1 1 133 133 LYS HG3 H 1 1.466 0.009 . 2 . . . A 133 LYS HG3 . 17927 1 1629 . 1 1 133 133 LYS C C 13 179.532 0.008 . 1 . . . A 133 LYS C . 17927 1 1630 . 1 1 133 133 LYS CA C 13 58.521 0.120 . 1 . . . A 133 LYS CA . 17927 1 1631 . 1 1 133 133 LYS CB C 13 32.191 0.090 . 1 . . . A 133 LYS CB . 17927 1 1632 . 1 1 133 133 LYS CG C 13 25.602 0.004 . 1 . . . A 133 LYS CG . 17927 1 1633 . 1 1 133 133 LYS N N 15 116.306 0.016 . 1 . . . A 133 LYS N . 17927 1 1634 . 1 1 134 134 THR H H 1 8.292 0.001 . 1 . . . A 134 THR H . 17927 1 1635 . 1 1 134 134 THR HA H 1 3.147 0.009 . 1 . . . A 134 THR HA . 17927 1 1636 . 1 1 134 134 THR HB H 1 4.045 0.007 . 1 . . . A 134 THR HB . 17927 1 1637 . 1 1 134 134 THR HG21 H 1 0.058 0.007 . 1 . . . A 134 THR HG21 . 17927 1 1638 . 1 1 134 134 THR HG22 H 1 0.058 0.007 . 1 . . . A 134 THR HG22 . 17927 1 1639 . 1 1 134 134 THR HG23 H 1 0.058 0.007 . 1 . . . A 134 THR HG23 . 17927 1 1640 . 1 1 134 134 THR C C 13 173.356 0.000 . 1 . . . A 134 THR C . 17927 1 1641 . 1 1 134 134 THR CA C 13 66.383 0.106 . 1 . . . A 134 THR CA . 17927 1 1642 . 1 1 134 134 THR CB C 13 66.847 0.037 . 1 . . . A 134 THR CB . 17927 1 1643 . 1 1 134 134 THR CG2 C 13 23.363 0.007 . 1 . . . A 134 THR CG2 . 17927 1 1644 . 1 1 134 134 THR N N 15 120.833 0.022 . 1 . . . A 134 THR N . 17927 1 1645 . 1 1 135 135 ALA H H 1 7.030 0.002 . 1 . . . A 135 ALA H . 17927 1 1646 . 1 1 135 135 ALA HA H 1 3.583 0.009 . 1 . . . A 135 ALA HA . 17927 1 1647 . 1 1 135 135 ALA HB1 H 1 1.483 0.008 . 1 . . . A 135 ALA HB1 . 17927 1 1648 . 1 1 135 135 ALA HB2 H 1 1.483 0.008 . 1 . . . A 135 ALA HB2 . 17927 1 1649 . 1 1 135 135 ALA HB3 H 1 1.483 0.008 . 1 . . . A 135 ALA HB3 . 17927 1 1650 . 1 1 135 135 ALA C C 13 178.902 0.003 . 1 . . . A 135 ALA C . 17927 1 1651 . 1 1 135 135 ALA CA C 13 54.999 0.085 . 1 . . . A 135 ALA CA . 17927 1 1652 . 1 1 135 135 ALA CB C 13 17.775 0.060 . 1 . . . A 135 ALA CB . 17927 1 1653 . 1 1 135 135 ALA N N 15 121.720 0.016 . 1 . . . A 135 ALA N . 17927 1 1654 . 1 1 136 136 GLU H H 1 7.216 0.001 . 1 . . . A 136 GLU H . 17927 1 1655 . 1 1 136 136 GLU HA H 1 3.922 0.007 . 1 . . . A 136 GLU HA . 17927 1 1656 . 1 1 136 136 GLU HB2 H 1 1.993 0.011 . 1 . . . A 136 GLU HB2 . 17927 1 1657 . 1 1 136 136 GLU HB3 H 1 1.993 0.011 . 1 . . . A 136 GLU HB3 . 17927 1 1658 . 1 1 136 136 GLU HG2 H 1 2.201 0.006 . 2 . . . A 136 GLU HG2 . 17927 1 1659 . 1 1 136 136 GLU HG3 H 1 2.380 0.012 . 2 . . . A 136 GLU HG3 . 17927 1 1660 . 1 1 136 136 GLU C C 13 179.199 0.009 . 1 . . . A 136 GLU C . 17927 1 1661 . 1 1 136 136 GLU CA C 13 59.837 0.103 . 1 . . . A 136 GLU CA . 17927 1 1662 . 1 1 136 136 GLU CB C 13 29.786 0.089 . 1 . . . A 136 GLU CB . 17927 1 1663 . 1 1 136 136 GLU CG C 13 36.330 0.000 . 1 . . . A 136 GLU CG . 17927 1 1664 . 1 1 136 136 GLU N N 15 114.623 0.019 . 1 . . . A 136 GLU N . 17927 1 1665 . 1 1 137 137 LYS H H 1 7.681 0.001 . 1 . . . A 137 LYS H . 17927 1 1666 . 1 1 137 137 LYS HA H 1 4.204 0.010 . 1 . . . A 137 LYS HA . 17927 1 1667 . 1 1 137 137 LYS HB2 H 1 1.882 0.011 . 1 . . . A 137 LYS HB2 . 17927 1 1668 . 1 1 137 137 LYS HB3 H 1 1.882 0.011 . 1 . . . A 137 LYS HB3 . 17927 1 1669 . 1 1 137 137 LYS HG2 H 1 1.453 0.014 . 2 . . . A 137 LYS HG2 . 17927 1 1670 . 1 1 137 137 LYS HG3 H 1 1.286 0.005 . 2 . . . A 137 LYS HG3 . 17927 1 1671 . 1 1 137 137 LYS HD2 H 1 1.822 0.000 . 2 . . . A 137 LYS HD2 . 17927 1 1672 . 1 1 137 137 LYS HD3 H 1 1.724 0.004 . 2 . . . A 137 LYS HD3 . 17927 1 1673 . 1 1 137 137 LYS HE2 H 1 2.933 0.007 . 2 . . . A 137 LYS HE2 . 17927 1 1674 . 1 1 137 137 LYS HE3 H 1 2.719 0.000 . 2 . . . A 137 LYS HE3 . 17927 1 1675 . 1 1 137 137 LYS C C 13 178.834 0.009 . 1 . . . A 137 LYS C . 17927 1 1676 . 1 1 137 137 LYS CA C 13 57.343 0.089 . 1 . . . A 137 LYS CA . 17927 1 1677 . 1 1 137 137 LYS CB C 13 30.463 0.078 . 1 . . . A 137 LYS CB . 17927 1 1678 . 1 1 137 137 LYS CG C 13 23.846 0.003 . 1 . . . A 137 LYS CG . 17927 1 1679 . 1 1 137 137 LYS CD C 13 27.530 0.004 . 1 . . . A 137 LYS CD . 17927 1 1680 . 1 1 137 137 LYS CE C 13 41.480 0.050 . 1 . . . A 137 LYS CE . 17927 1 1681 . 1 1 137 137 LYS N N 15 120.789 0.023 . 1 . . . A 137 LYS N . 17927 1 1682 . 1 1 138 138 PHE H H 1 8.059 0.002 . 1 . . . A 138 PHE H . 17927 1 1683 . 1 1 138 138 PHE HA H 1 4.033 0.008 . 1 . . . A 138 PHE HA . 17927 1 1684 . 1 1 138 138 PHE HB2 H 1 3.140 0.010 . 2 . . . A 138 PHE HB2 . 17927 1 1685 . 1 1 138 138 PHE HB3 H 1 2.472 0.008 . 2 . . . A 138 PHE HB3 . 17927 1 1686 . 1 1 138 138 PHE HD1 H 1 6.114 0.008 . 3 . . . A 138 PHE HD1 . 17927 1 1687 . 1 1 138 138 PHE HD2 H 1 6.114 0.008 . 3 . . . A 138 PHE HD2 . 17927 1 1688 . 1 1 138 138 PHE HE1 H 1 6.633 0.012 . 3 . . . A 138 PHE HE1 . 17927 1 1689 . 1 1 138 138 PHE HE2 H 1 6.633 0.012 . 3 . . . A 138 PHE HE2 . 17927 1 1690 . 1 1 138 138 PHE HZ H 1 5.567 0.012 . 1 . . . A 138 PHE HZ . 17927 1 1691 . 1 1 138 138 PHE C C 13 178.027 0.010 . 1 . . . A 138 PHE C . 17927 1 1692 . 1 1 138 138 PHE CA C 13 57.507 0.110 . 1 . . . A 138 PHE CA . 17927 1 1693 . 1 1 138 138 PHE CB C 13 35.889 0.069 . 1 . . . A 138 PHE CB . 17927 1 1694 . 1 1 138 138 PHE CD1 C 13 128.612 0.020 . 3 . . . A 138 PHE CD1 . 17927 1 1695 . 1 1 138 138 PHE CD2 C 13 128.612 0.020 . 3 . . . A 138 PHE CD2 . 17927 1 1696 . 1 1 138 138 PHE CE1 C 13 130.107 0.000 . 3 . . . A 138 PHE CE1 . 17927 1 1697 . 1 1 138 138 PHE CE2 C 13 130.107 0.000 . 3 . . . A 138 PHE CE2 . 17927 1 1698 . 1 1 138 138 PHE CZ C 13 127.966 0.020 . 1 . . . A 138 PHE CZ . 17927 1 1699 . 1 1 138 138 PHE N N 15 118.373 0.025 . 1 . . . A 138 PHE N . 17927 1 1700 . 1 1 139 139 ASN H H 1 8.683 0.002 . 1 . . . A 139 ASN H . 17927 1 1701 . 1 1 139 139 ASN HA H 1 4.404 0.014 . 1 . . . A 139 ASN HA . 17927 1 1702 . 1 1 139 139 ASN HB2 H 1 3.089 0.014 . 2 . . . A 139 ASN HB2 . 17927 1 1703 . 1 1 139 139 ASN HB3 H 1 2.859 0.008 . 2 . . . A 139 ASN HB3 . 17927 1 1704 . 1 1 139 139 ASN HD21 H 1 7.909 0.002 . 1 . . . A 139 ASN HD21 . 17927 1 1705 . 1 1 139 139 ASN HD22 H 1 6.946 0.002 . 1 . . . A 139 ASN HD22 . 17927 1 1706 . 1 1 139 139 ASN C C 13 178.190 0.015 . 1 . . . A 139 ASN C . 17927 1 1707 . 1 1 139 139 ASN CA C 13 56.224 0.113 . 1 . . . A 139 ASN CA . 17927 1 1708 . 1 1 139 139 ASN CB C 13 36.734 0.085 . 1 . . . A 139 ASN CB . 17927 1 1709 . 1 1 139 139 ASN N N 15 117.611 0.018 . 1 . . . A 139 ASN N . 17927 1 1710 . 1 1 139 139 ASN ND2 N 15 112.832 0.024 . 1 . . . A 139 ASN ND2 . 17927 1 1711 . 1 1 140 140 GLU H H 1 7.868 0.001 . 1 . . . A 140 GLU H . 17927 1 1712 . 1 1 140 140 GLU HA H 1 4.005 0.003 . 1 . . . A 140 GLU HA . 17927 1 1713 . 1 1 140 140 GLU HB2 H 1 2.201 0.009 . 1 . . . A 140 GLU HB2 . 17927 1 1714 . 1 1 140 140 GLU HB3 H 1 2.201 0.009 . 1 . . . A 140 GLU HB3 . 17927 1 1715 . 1 1 140 140 GLU HG2 H 1 2.414 0.008 . 2 . . . A 140 GLU HG2 . 17927 1 1716 . 1 1 140 140 GLU HG3 H 1 2.088 0.004 . 2 . . . A 140 GLU HG3 . 17927 1 1717 . 1 1 140 140 GLU C C 13 179.751 0.012 . 1 . . . A 140 GLU C . 17927 1 1718 . 1 1 140 140 GLU CA C 13 59.310 0.089 . 1 . . . A 140 GLU CA . 17927 1 1719 . 1 1 140 140 GLU CB C 13 30.055 0.083 . 1 . . . A 140 GLU CB . 17927 1 1720 . 1 1 140 140 GLU CG C 13 35.891 0.030 . 1 . . . A 140 GLU CG . 17927 1 1721 . 1 1 140 140 GLU N N 15 121.432 0.018 . 1 . . . A 140 GLU N . 17927 1 1722 . 1 1 141 141 LEU H H 1 8.303 0.001 . 1 . . . A 141 LEU H . 17927 1 1723 . 1 1 141 141 LEU HA H 1 4.016 0.007 . 1 . . . A 141 LEU HA . 17927 1 1724 . 1 1 141 141 LEU HB2 H 1 1.426 0.011 . 2 . . . A 141 LEU HB2 . 17927 1 1725 . 1 1 141 141 LEU HB3 H 1 0.718 0.005 . 2 . . . A 141 LEU HB3 . 17927 1 1726 . 1 1 141 141 LEU HG H 1 1.778 0.010 . 1 . . . A 141 LEU HG . 17927 1 1727 . 1 1 141 141 LEU HD11 H 1 0.822 0.010 . 2 . . . A 141 LEU HD11 . 17927 1 1728 . 1 1 141 141 LEU HD12 H 1 0.822 0.010 . 2 . . . A 141 LEU HD12 . 17927 1 1729 . 1 1 141 141 LEU HD13 H 1 0.822 0.010 . 2 . . . A 141 LEU HD13 . 17927 1 1730 . 1 1 141 141 LEU HD21 H 1 0.459 0.009 . 2 . . . A 141 LEU HD21 . 17927 1 1731 . 1 1 141 141 LEU HD22 H 1 0.459 0.009 . 2 . . . A 141 LEU HD22 . 17927 1 1732 . 1 1 141 141 LEU HD23 H 1 0.459 0.009 . 2 . . . A 141 LEU HD23 . 17927 1 1733 . 1 1 141 141 LEU C C 13 179.293 0.009 . 1 . . . A 141 LEU C . 17927 1 1734 . 1 1 141 141 LEU CA C 13 57.436 0.079 . 1 . . . A 141 LEU CA . 17927 1 1735 . 1 1 141 141 LEU CB C 13 41.183 0.078 . 1 . . . A 141 LEU CB . 17927 1 1736 . 1 1 141 141 LEU CG C 13 25.943 0.022 . 1 . . . A 141 LEU CG . 17927 1 1737 . 1 1 141 141 LEU CD1 C 13 21.691 0.014 . 2 . . . A 141 LEU CD1 . 17927 1 1738 . 1 1 141 141 LEU CD2 C 13 26.584 0.012 . 2 . . . A 141 LEU CD2 . 17927 1 1739 . 1 1 141 141 LEU N N 15 119.968 0.019 . 1 . . . A 141 LEU N . 17927 1 1740 . 1 1 142 142 LEU H H 1 8.230 0.002 . 1 . . . A 142 LEU H . 17927 1 1741 . 1 1 142 142 LEU HA H 1 4.384 0.005 . 1 . . . A 142 LEU HA . 17927 1 1742 . 1 1 142 142 LEU HB2 H 1 1.691 0.019 . 2 . . . A 142 LEU HB2 . 17927 1 1743 . 1 1 142 142 LEU HB3 H 1 1.894 0.004 . 2 . . . A 142 LEU HB3 . 17927 1 1744 . 1 1 142 142 LEU HD11 H 1 1.007 0.008 . 2 . . . A 142 LEU HD11 . 17927 1 1745 . 1 1 142 142 LEU HD12 H 1 1.007 0.008 . 2 . . . A 142 LEU HD12 . 17927 1 1746 . 1 1 142 142 LEU HD13 H 1 1.007 0.008 . 2 . . . A 142 LEU HD13 . 17927 1 1747 . 1 1 142 142 LEU HD21 H 1 0.863 0.009 . 2 . . . A 142 LEU HD21 . 17927 1 1748 . 1 1 142 142 LEU HD22 H 1 0.863 0.009 . 2 . . . A 142 LEU HD22 . 17927 1 1749 . 1 1 142 142 LEU HD23 H 1 0.863 0.009 . 2 . . . A 142 LEU HD23 . 17927 1 1750 . 1 1 142 142 LEU C C 13 178.002 0.015 . 1 . . . A 142 LEU C . 17927 1 1751 . 1 1 142 142 LEU CA C 13 55.279 0.104 . 1 . . . A 142 LEU CA . 17927 1 1752 . 1 1 142 142 LEU CB C 13 42.646 0.110 . 1 . . . A 142 LEU CB . 17927 1 1753 . 1 1 142 142 LEU CD1 C 13 23.035 0.010 . 2 . . . A 142 LEU CD1 . 17927 1 1754 . 1 1 142 142 LEU CD2 C 13 26.407 0.051 . 2 . . . A 142 LEU CD2 . 17927 1 1755 . 1 1 142 142 LEU N N 15 115.040 0.021 . 1 . . . A 142 LEU N . 17927 1 1756 . 1 1 143 143 GLY H H 1 7.762 0.002 . 1 . . . A 143 GLY H . 17927 1 1757 . 1 1 143 143 GLY HA2 H 1 4.018 0.008 . 1 . . . A 143 GLY HA2 . 17927 1 1758 . 1 1 143 143 GLY HA3 H 1 4.019 0.007 . 1 . . . A 143 GLY HA3 . 17927 1 1759 . 1 1 143 143 GLY C C 13 175.216 0.007 . 1 . . . A 143 GLY C . 17927 1 1760 . 1 1 143 143 GLY CA C 13 46.741 0.158 . 1 . . . A 143 GLY CA . 17927 1 1761 . 1 1 143 143 GLY N N 15 108.977 0.025 . 1 . . . A 143 GLY N . 17927 1 1762 . 1 1 144 144 LEU H H 1 8.241 0.002 . 1 . . . A 144 LEU H . 17927 1 1763 . 1 1 144 144 LEU HA H 1 4.488 0.008 . 1 . . . A 144 LEU HA . 17927 1 1764 . 1 1 144 144 LEU HB2 H 1 1.683 0.011 . 1 . . . A 144 LEU HB2 . 17927 1 1765 . 1 1 144 144 LEU HB3 H 1 1.681 0.011 . 1 . . . A 144 LEU HB3 . 17927 1 1766 . 1 1 144 144 LEU HD11 H 1 0.901 0.007 . 2 . . . A 144 LEU HD11 . 17927 1 1767 . 1 1 144 144 LEU HD12 H 1 0.901 0.007 . 2 . . . A 144 LEU HD12 . 17927 1 1768 . 1 1 144 144 LEU HD13 H 1 0.901 0.007 . 2 . . . A 144 LEU HD13 . 17927 1 1769 . 1 1 144 144 LEU HD21 H 1 1.078 0.007 . 2 . . . A 144 LEU HD21 . 17927 1 1770 . 1 1 144 144 LEU HD22 H 1 1.078 0.007 . 2 . . . A 144 LEU HD22 . 17927 1 1771 . 1 1 144 144 LEU HD23 H 1 1.078 0.007 . 2 . . . A 144 LEU HD23 . 17927 1 1772 . 1 1 144 144 LEU C C 13 177.375 0.002 . 1 . . . A 144 LEU C . 17927 1 1773 . 1 1 144 144 LEU CA C 13 54.525 0.138 . 1 . . . A 144 LEU CA . 17927 1 1774 . 1 1 144 144 LEU CB C 13 42.773 0.051 . 1 . . . A 144 LEU CB . 17927 1 1775 . 1 1 144 144 LEU CD1 C 13 22.593 0.011 . 2 . . . A 144 LEU CD1 . 17927 1 1776 . 1 1 144 144 LEU CD2 C 13 25.803 0.010 . 2 . . . A 144 LEU CD2 . 17927 1 1777 . 1 1 144 144 LEU N N 15 119.660 0.018 . 1 . . . A 144 LEU N . 17927 1 1778 . 1 1 145 145 GLU H H 1 8.410 0.002 . 1 . . . A 145 GLU H . 17927 1 1779 . 1 1 145 145 GLU HA H 1 4.241 0.005 . 1 . . . A 145 GLU HA . 17927 1 1780 . 1 1 145 145 GLU HB2 H 1 2.081 0.009 . 2 . . . A 145 GLU HB2 . 17927 1 1781 . 1 1 145 145 GLU HB3 H 1 1.982 0.006 . 2 . . . A 145 GLU HB3 . 17927 1 1782 . 1 1 145 145 GLU HG2 H 1 2.302 0.011 . 2 . . . A 145 GLU HG2 . 17927 1 1783 . 1 1 145 145 GLU HG3 H 1 2.275 0.006 . 2 . . . A 145 GLU HG3 . 17927 1 1784 . 1 1 145 145 GLU C C 13 177.075 0.007 . 1 . . . A 145 GLU C . 17927 1 1785 . 1 1 145 145 GLU CA C 13 56.799 0.093 . 1 . . . A 145 GLU CA . 17927 1 1786 . 1 1 145 145 GLU CB C 13 30.168 0.093 . 1 . . . A 145 GLU CB . 17927 1 1787 . 1 1 145 145 GLU CG C 13 36.306 0.008 . 1 . . . A 145 GLU CG . 17927 1 1788 . 1 1 145 145 GLU N N 15 119.959 0.021 . 1 . . . A 145 GLU N . 17927 1 1789 . 1 1 146 146 GLY H H 1 8.422 0.002 . 1 . . . A 146 GLY H . 17927 1 1790 . 1 1 146 146 GLY HA2 H 1 3.904 0.007 . 1 . . . A 146 GLY HA2 . 17927 1 1791 . 1 1 146 146 GLY HA3 H 1 3.904 0.007 . 1 . . . A 146 GLY HA3 . 17927 1 1792 . 1 1 146 146 GLY C C 13 174.276 0.000 . 1 . . . A 146 GLY C . 17927 1 1793 . 1 1 146 146 GLY CA C 13 45.445 0.128 . 1 . . . A 146 GLY CA . 17927 1 1794 . 1 1 146 146 GLY N N 15 109.412 0.034 . 1 . . . A 146 GLY N . 17927 1 1795 . 1 1 151 151 HIS HA H 1 4.656 0.000 . 1 . . . A 151 HIS HA . 17927 1 1796 . 1 1 151 151 HIS C C 13 173.990 0.008 . 1 . . . A 151 HIS C . 17927 1 1797 . 1 1 151 151 HIS CA C 13 56.044 0.009 . 1 . . . A 151 HIS CA . 17927 1 1798 . 1 1 151 151 HIS CB C 13 30.076 0.000 . 1 . . . A 151 HIS CB . 17927 1 1799 . 1 1 152 152 HIS H H 1 8.246 0.002 . 1 . . . A 152 HIS H . 17927 1 1800 . 1 1 152 152 HIS HA H 1 4.469 0.000 . 1 . . . A 152 HIS HA . 17927 1 1801 . 1 1 152 152 HIS C C 13 179.183 0.000 . 1 . . . A 152 HIS C . 17927 1 1802 . 1 1 152 152 HIS CA C 13 57.311 0.118 . 1 . . . A 152 HIS CA . 17927 1 1803 . 1 1 152 152 HIS CB C 13 30.151 0.000 . 1 . . . A 152 HIS CB . 17927 1 1804 . 1 1 152 152 HIS N N 15 125.378 0.026 . 1 . . . A 152 HIS N . 17927 1 stop_ save_