data_18290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18290 _Entry.Title ; Solution NMR Structure of syc0711_d from Synechococcus sp., Northeast Structural Genomics Consortium (NESG) Target SnR212 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-23 _Entry.Accession_date 2012-02-23 _Entry.Last_release_date 2012-03-22 _Entry.Original_release_date 2012-03-22 _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 Jeffrey Mills . L. . 18290 2 Bharathwaj Sathymoorthy . . . 18290 3 Suryaven Pulavarti . . . 18290 4 Haleema Janjua . . . 18290 5 Eitan Kohan . . . 18290 6 Dongyan Wang . . . 18290 7 Thomas Acton . B. . 18290 8 Rong Xiao . . . 18290 9 John Everett . K. . 18290 10 Gaetano Montelione . T. . 18290 11 Thomas Szyperski . . . 18290 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, PSI:Biology' 'Northeast Structural Genomics Consortium' . 18290 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18290 'Protein NMR' . 18290 'Protein Structure Initiative' . 18290 PSI:Biology . 18290 'Structural Genomics' . 18290 'Target SnR212' . 18290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 18290 '15N chemical shifts' 115 18290 '1H chemical shifts' 719 18290 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 . . 2012-03-22 2012-02-22 original author . 18290 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQ3 'BMRB Entry Tracking System' 18290 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18290 _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 NMR Structure of syc0711_d from Synechococcus sp., Northeast Structural Genomics Consortium (NESG) Target SnR212' _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 Jeffrey Mills . L. . 18290 1 2 Bharathwaj Sathymoorthy . . . 18290 1 3 Suryaven Pulavarti . . . 18290 1 4 Haleema Janjua . . . 18290 1 5 Eitan Kohan . . . 18290 1 6 Dongyan Wang . . . 18290 1 7 Thomas Acton . B. . 18290 1 8 Rong Xiao . . . 18290 1 9 John Everett . K. . 18290 1 10 Gaetano Montelione . T. . 18290 1 11 Thomas Szyperski . . . 18290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18290 _Assembly.ID 1 _Assembly.Name SnR212 _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 SnR212 1 $SnR212 A . yes native no no . . . 18290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SnR212 _Entity.Sf_category entity _Entity.Sf_framecode SnR212 _Entity.Entry_ID 18290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SnR212 _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 ; MGQGQNVLGQDLEVCCCAPM TGWYRNGFCQTDVQDRGSHT VCAEMTEEFLLFSRDRGNDL MTPRPEFNFPGLKAGDRWCL CASRWQEAFEAGMAPPVVLQ STEKSALRYVSLADLQAHAL PVLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _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 14659.635 _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 2LQ3 . "Solution Nmr Structure Of Syc0711_d From Synechococcus Sp., Northeast Structural Genomics Consortium (Nesg) Target Snr212" . . . . . 100.00 130 100.00 100.00 6.62e-92 . . . . 18290 1 2 no DBJ BAD78901 . "hypothetical protein [Synechococcus elongatus PCC 6301]" . . . . . 93.85 122 100.00 100.00 3.69e-85 . . . . 18290 1 3 no GB ABB56860 . "conserved hypothetical protein [Synechococcus elongatus PCC 7942]" . . . . . 93.85 122 100.00 100.00 3.69e-85 . . . . 18290 1 4 no GB AJD58612 . "hypothetical protein M744_12610 [Synechococcus sp. UTEX 2973]" . . . . . 93.85 122 100.00 100.00 3.69e-85 . . . . 18290 1 5 no REF WP_011243023 . "MULTISPECIES: hypothetical protein [Synechococcus]" . . . . . 93.85 122 100.00 100.00 3.69e-85 . . . . 18290 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 . 18290 1 2 . GLY . 18290 1 3 . GLN . 18290 1 4 . GLY . 18290 1 5 . GLN . 18290 1 6 . ASN . 18290 1 7 . VAL . 18290 1 8 . LEU . 18290 1 9 . GLY . 18290 1 10 . GLN . 18290 1 11 . ASP . 18290 1 12 . LEU . 18290 1 13 . GLU . 18290 1 14 . VAL . 18290 1 15 . CYS . 18290 1 16 . CYS . 18290 1 17 . CYS . 18290 1 18 . ALA . 18290 1 19 . PRO . 18290 1 20 . MET . 18290 1 21 . THR . 18290 1 22 . GLY . 18290 1 23 . TRP . 18290 1 24 . TYR . 18290 1 25 . ARG . 18290 1 26 . ASN . 18290 1 27 . GLY . 18290 1 28 . PHE . 18290 1 29 . CYS . 18290 1 30 . GLN . 18290 1 31 . THR . 18290 1 32 . ASP . 18290 1 33 . VAL . 18290 1 34 . GLN . 18290 1 35 . ASP . 18290 1 36 . ARG . 18290 1 37 . GLY . 18290 1 38 . SER . 18290 1 39 . HIS . 18290 1 40 . THR . 18290 1 41 . VAL . 18290 1 42 . CYS . 18290 1 43 . ALA . 18290 1 44 . GLU . 18290 1 45 . MET . 18290 1 46 . THR . 18290 1 47 . GLU . 18290 1 48 . GLU . 18290 1 49 . PHE . 18290 1 50 . LEU . 18290 1 51 . LEU . 18290 1 52 . PHE . 18290 1 53 . SER . 18290 1 54 . ARG . 18290 1 55 . ASP . 18290 1 56 . ARG . 18290 1 57 . GLY . 18290 1 58 . ASN . 18290 1 59 . ASP . 18290 1 60 . LEU . 18290 1 61 . MET . 18290 1 62 . THR . 18290 1 63 . PRO . 18290 1 64 . ARG . 18290 1 65 . PRO . 18290 1 66 . GLU . 18290 1 67 . PHE . 18290 1 68 . ASN . 18290 1 69 . PHE . 18290 1 70 . PRO . 18290 1 71 . GLY . 18290 1 72 . LEU . 18290 1 73 . LYS . 18290 1 74 . ALA . 18290 1 75 . GLY . 18290 1 76 . ASP . 18290 1 77 . ARG . 18290 1 78 . TRP . 18290 1 79 . CYS . 18290 1 80 . LEU . 18290 1 81 . CYS . 18290 1 82 . ALA . 18290 1 83 . SER . 18290 1 84 . ARG . 18290 1 85 . TRP . 18290 1 86 . GLN . 18290 1 87 . GLU . 18290 1 88 . ALA . 18290 1 89 . PHE . 18290 1 90 . GLU . 18290 1 91 . ALA . 18290 1 92 . GLY . 18290 1 93 . MET . 18290 1 94 . ALA . 18290 1 95 . PRO . 18290 1 96 . PRO . 18290 1 97 . VAL . 18290 1 98 . VAL . 18290 1 99 . LEU . 18290 1 100 . GLN . 18290 1 101 . SER . 18290 1 102 . THR . 18290 1 103 . GLU . 18290 1 104 . LYS . 18290 1 105 . SER . 18290 1 106 . ALA . 18290 1 107 . LEU . 18290 1 108 . ARG . 18290 1 109 . TYR . 18290 1 110 . VAL . 18290 1 111 . SER . 18290 1 112 . LEU . 18290 1 113 . ALA . 18290 1 114 . ASP . 18290 1 115 . LEU . 18290 1 116 . GLN . 18290 1 117 . ALA . 18290 1 118 . HIS . 18290 1 119 . ALA . 18290 1 120 . LEU . 18290 1 121 . PRO . 18290 1 122 . VAL . 18290 1 123 . LEU . 18290 1 124 . GLU . 18290 1 125 . HIS . 18290 1 126 . HIS . 18290 1 127 . HIS . 18290 1 128 . HIS . 18290 1 129 . HIS . 18290 1 130 . HIS . 18290 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 18290 1 . GLY 2 2 18290 1 . GLN 3 3 18290 1 . GLY 4 4 18290 1 . GLN 5 5 18290 1 . ASN 6 6 18290 1 . VAL 7 7 18290 1 . LEU 8 8 18290 1 . GLY 9 9 18290 1 . GLN 10 10 18290 1 . ASP 11 11 18290 1 . LEU 12 12 18290 1 . GLU 13 13 18290 1 . VAL 14 14 18290 1 . CYS 15 15 18290 1 . CYS 16 16 18290 1 . CYS 17 17 18290 1 . ALA 18 18 18290 1 . PRO 19 19 18290 1 . MET 20 20 18290 1 . THR 21 21 18290 1 . GLY 22 22 18290 1 . TRP 23 23 18290 1 . TYR 24 24 18290 1 . ARG 25 25 18290 1 . ASN 26 26 18290 1 . GLY 27 27 18290 1 . PHE 28 28 18290 1 . CYS 29 29 18290 1 . GLN 30 30 18290 1 . THR 31 31 18290 1 . ASP 32 32 18290 1 . VAL 33 33 18290 1 . GLN 34 34 18290 1 . ASP 35 35 18290 1 . ARG 36 36 18290 1 . GLY 37 37 18290 1 . SER 38 38 18290 1 . HIS 39 39 18290 1 . THR 40 40 18290 1 . VAL 41 41 18290 1 . CYS 42 42 18290 1 . ALA 43 43 18290 1 . GLU 44 44 18290 1 . MET 45 45 18290 1 . THR 46 46 18290 1 . GLU 47 47 18290 1 . GLU 48 48 18290 1 . PHE 49 49 18290 1 . LEU 50 50 18290 1 . LEU 51 51 18290 1 . PHE 52 52 18290 1 . SER 53 53 18290 1 . ARG 54 54 18290 1 . ASP 55 55 18290 1 . ARG 56 56 18290 1 . GLY 57 57 18290 1 . ASN 58 58 18290 1 . ASP 59 59 18290 1 . LEU 60 60 18290 1 . MET 61 61 18290 1 . THR 62 62 18290 1 . PRO 63 63 18290 1 . ARG 64 64 18290 1 . PRO 65 65 18290 1 . GLU 66 66 18290 1 . PHE 67 67 18290 1 . ASN 68 68 18290 1 . PHE 69 69 18290 1 . PRO 70 70 18290 1 . GLY 71 71 18290 1 . LEU 72 72 18290 1 . LYS 73 73 18290 1 . ALA 74 74 18290 1 . GLY 75 75 18290 1 . ASP 76 76 18290 1 . ARG 77 77 18290 1 . TRP 78 78 18290 1 . CYS 79 79 18290 1 . LEU 80 80 18290 1 . CYS 81 81 18290 1 . ALA 82 82 18290 1 . SER 83 83 18290 1 . ARG 84 84 18290 1 . TRP 85 85 18290 1 . GLN 86 86 18290 1 . GLU 87 87 18290 1 . ALA 88 88 18290 1 . PHE 89 89 18290 1 . GLU 90 90 18290 1 . ALA 91 91 18290 1 . GLY 92 92 18290 1 . MET 93 93 18290 1 . ALA 94 94 18290 1 . PRO 95 95 18290 1 . PRO 96 96 18290 1 . VAL 97 97 18290 1 . VAL 98 98 18290 1 . LEU 99 99 18290 1 . GLN 100 100 18290 1 . SER 101 101 18290 1 . THR 102 102 18290 1 . GLU 103 103 18290 1 . LYS 104 104 18290 1 . SER 105 105 18290 1 . ALA 106 106 18290 1 . LEU 107 107 18290 1 . ARG 108 108 18290 1 . TYR 109 109 18290 1 . VAL 110 110 18290 1 . SER 111 111 18290 1 . LEU 112 112 18290 1 . ALA 113 113 18290 1 . ASP 114 114 18290 1 . LEU 115 115 18290 1 . GLN 116 116 18290 1 . ALA 117 117 18290 1 . HIS 118 118 18290 1 . ALA 119 119 18290 1 . LEU 120 120 18290 1 . PRO 121 121 18290 1 . VAL 122 122 18290 1 . LEU 123 123 18290 1 . GLU 124 124 18290 1 . HIS 125 125 18290 1 . HIS 126 126 18290 1 . HIS 127 127 18290 1 . HIS 128 128 18290 1 . HIS 129 129 18290 1 . HIS 130 130 18290 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 18290 _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 $SnR212 . 1131 organism . 'Synechococcus sp.' 'Synechococcus sp.' . . Bacteria . Synechococcus sp. . . . . . . . . . . . . . . . . . . . . . 18290 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 18290 _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 $SnR212 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21_NESG . . . . . . 18290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sampleNC _Sample.Sf_category sample _Sample.Sf_framecode sampleNC _Sample.Entry_ID 18290 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.89 mM SnR212.015, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SnR212.015 '[U-100% 13C; U-100% 15N]' . . 1 $SnR212 . . 0.89 . . mM . . . . 18290 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18290 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18290 1 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18290 1 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18290 1 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18290 1 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18290 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18290 1 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18290 1 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18290 1 stop_ save_ save_sampleNC5 _Sample.Sf_category sample _Sample.Sf_framecode sampleNC5 _Sample.Entry_ID 18290 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.67 mM SnR212.015, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SnR212.015 '[U-100% 13C; U-100% 15N]' . . 1 $SnR212 . . 0.67 . . mM . . . . 18290 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18290 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18290 2 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18290 2 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18290 2 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18290 2 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18290 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18290 2 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18290 2 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18290 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 18290 _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 pH 6.5 . pH 18290 1 pressure 1 . atm 18290 1 temperature 298 . K 18290 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18290 _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, Adams, Clore, Gros, Nilges and Read' . . 18290 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18290 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18290 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18290 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18290 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18290 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18290 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18290 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18290 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18290 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18290 4 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 18290 _Software.ID 5 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 18290 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18290 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18290 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18290 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18290 6 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18290 _Software.ID 7 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18290 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18290 7 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18290 _Software.ID 8 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18290 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18290 8 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18290 _Software.ID 9 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18290 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18290 9 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18290 _Software.ID 10 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller et al.' . . 18290 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18290 10 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18290 _Software.ID 11 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18290 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18290 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18290 _Software.ID 12 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18290 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18290 12 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 18290 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18290 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18290 _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 . 750 . . . 18290 1 2 spectrometer_2 Varian INOVA . 600 . . . 18290 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 18290 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 1 3 '3D HNCO' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18290 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18290 1 6 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sampleNC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18290 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 1 10 '3D HNCA' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 1 12 '3D HN(CA)CO' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18290 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 18290 _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 . . . . . . . . . 18290 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18290 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18290 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 18290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18290 1 2 '2D 1H-13C HSQC' . . . 18290 1 6 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18290 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 GLY HA2 H 1 3.860 0.020 . 2 . . . A 2 GLY HA2 . 18290 1 2 . 1 1 2 2 GLY HA3 H 1 3.758 0.020 . 2 . . . A 2 GLY HA3 . 18290 1 3 . 1 1 2 2 GLY CA C 13 43.466 0.300 . 1 . . . A 2 GLY CA . 18290 1 4 . 1 1 3 3 GLN HA H 1 4.196 0.020 . 1 . . . A 3 GLN HA . 18290 1 5 . 1 1 3 3 GLN HB2 H 1 1.613 0.020 . 2 . . . A 3 GLN HB2 . 18290 1 6 . 1 1 3 3 GLN HB3 H 1 1.797 0.020 . 2 . . . A 3 GLN HB3 . 18290 1 7 . 1 1 3 3 GLN HG2 H 1 1.826 0.020 . 1 . . . A 3 GLN HG2 . 18290 1 8 . 1 1 3 3 GLN HG3 H 1 1.826 0.020 . 1 . . . A 3 GLN HG3 . 18290 1 9 . 1 1 3 3 GLN HE21 H 1 7.109 0.020 . 2 . . . A 3 GLN HE21 . 18290 1 10 . 1 1 3 3 GLN HE22 H 1 6.548 0.020 . 2 . . . A 3 GLN HE22 . 18290 1 11 . 1 1 3 3 GLN C C 13 175.145 0.300 . 1 . . . A 3 GLN C . 18290 1 12 . 1 1 3 3 GLN CA C 13 56.208 0.300 . 1 . . . A 3 GLN CA . 18290 1 13 . 1 1 3 3 GLN CB C 13 29.366 0.300 . 1 . . . A 3 GLN CB . 18290 1 14 . 1 1 3 3 GLN CG C 13 33.127 0.300 . 1 . . . A 3 GLN CG . 18290 1 15 . 1 1 3 3 GLN NE2 N 15 111.067 0.300 . 1 . . . A 3 GLN NE2 . 18290 1 16 . 1 1 4 4 GLY H H 1 8.056 0.020 . 1 . . . A 4 GLY H . 18290 1 17 . 1 1 4 4 GLY HA2 H 1 4.282 0.020 . 2 . . . A 4 GLY HA2 . 18290 1 18 . 1 1 4 4 GLY HA3 H 1 3.958 0.020 . 2 . . . A 4 GLY HA3 . 18290 1 19 . 1 1 4 4 GLY C C 13 173.504 0.300 . 1 . . . A 4 GLY C . 18290 1 20 . 1 1 4 4 GLY CA C 13 44.362 0.300 . 1 . . . A 4 GLY CA . 18290 1 21 . 1 1 4 4 GLY N N 15 106.493 0.300 . 1 . . . A 4 GLY N . 18290 1 22 . 1 1 5 5 GLN H H 1 9.429 0.020 . 1 . . . A 5 GLN H . 18290 1 23 . 1 1 5 5 GLN HA H 1 5.100 0.020 . 1 . . . A 5 GLN HA . 18290 1 24 . 1 1 5 5 GLN HB2 H 1 1.993 0.020 . 2 . . . A 5 GLN HB2 . 18290 1 25 . 1 1 5 5 GLN HB3 H 1 1.900 0.020 . 2 . . . A 5 GLN HB3 . 18290 1 26 . 1 1 5 5 GLN HG2 H 1 2.334 0.020 . 2 . . . A 5 GLN HG2 . 18290 1 27 . 1 1 5 5 GLN HG3 H 1 2.262 0.020 . 2 . . . A 5 GLN HG3 . 18290 1 28 . 1 1 5 5 GLN HE21 H 1 7.336 0.020 . 2 . . . A 5 GLN HE21 . 18290 1 29 . 1 1 5 5 GLN HE22 H 1 6.781 0.020 . 2 . . . A 5 GLN HE22 . 18290 1 30 . 1 1 5 5 GLN C C 13 175.848 0.300 . 1 . . . A 5 GLN C . 18290 1 31 . 1 1 5 5 GLN CA C 13 54.368 0.300 . 1 . . . A 5 GLN CA . 18290 1 32 . 1 1 5 5 GLN CB C 13 33.220 0.300 . 1 . . . A 5 GLN CB . 18290 1 33 . 1 1 5 5 GLN CG C 13 34.360 0.300 . 1 . . . A 5 GLN CG . 18290 1 34 . 1 1 5 5 GLN N N 15 121.588 0.300 . 1 . . . A 5 GLN N . 18290 1 35 . 1 1 5 5 GLN NE2 N 15 111.872 0.300 . 1 . . . A 5 GLN NE2 . 18290 1 36 . 1 1 6 6 ASN H H 1 9.180 0.020 . 1 . . . A 6 ASN H . 18290 1 37 . 1 1 6 6 ASN HA H 1 5.522 0.020 . 1 . . . A 6 ASN HA . 18290 1 38 . 1 1 6 6 ASN HB2 H 1 3.669 0.020 . 2 . . . A 6 ASN HB2 . 18290 1 39 . 1 1 6 6 ASN HB3 H 1 2.502 0.020 . 2 . . . A 6 ASN HB3 . 18290 1 40 . 1 1 6 6 ASN C C 13 178.544 0.300 . 1 . . . A 6 ASN C . 18290 1 41 . 1 1 6 6 ASN CA C 13 50.930 0.300 . 1 . . . A 6 ASN CA . 18290 1 42 . 1 1 6 6 ASN CB C 13 41.033 0.300 . 1 . . . A 6 ASN CB . 18290 1 43 . 1 1 6 6 ASN N N 15 119.015 0.300 . 1 . . . A 6 ASN N . 18290 1 44 . 1 1 7 7 VAL H H 1 7.362 0.020 . 1 . . . A 7 VAL H . 18290 1 45 . 1 1 7 7 VAL HA H 1 3.863 0.020 . 1 . . . A 7 VAL HA . 18290 1 46 . 1 1 7 7 VAL HB H 1 2.381 0.020 . 1 . . . A 7 VAL HB . 18290 1 47 . 1 1 7 7 VAL HG11 H 1 0.853 0.020 . 1 . . . A 7 VAL HG11 . 18290 1 48 . 1 1 7 7 VAL HG12 H 1 0.853 0.020 . 1 . . . A 7 VAL HG12 . 18290 1 49 . 1 1 7 7 VAL HG13 H 1 0.853 0.020 . 1 . . . A 7 VAL HG13 . 18290 1 50 . 1 1 7 7 VAL HG21 H 1 0.787 0.020 . 1 . . . A 7 VAL HG21 . 18290 1 51 . 1 1 7 7 VAL HG22 H 1 0.787 0.020 . 1 . . . A 7 VAL HG22 . 18290 1 52 . 1 1 7 7 VAL HG23 H 1 0.787 0.020 . 1 . . . A 7 VAL HG23 . 18290 1 53 . 1 1 7 7 VAL C C 13 174.441 0.300 . 1 . . . A 7 VAL C . 18290 1 54 . 1 1 7 7 VAL CA C 13 63.628 0.300 . 1 . . . A 7 VAL CA . 18290 1 55 . 1 1 7 7 VAL CB C 13 31.710 0.300 . 1 . . . A 7 VAL CB . 18290 1 56 . 1 1 7 7 VAL CG1 C 13 23.840 0.300 . 1 . . . A 7 VAL CG1 . 18290 1 57 . 1 1 7 7 VAL CG2 C 13 18.148 0.300 . 1 . . . A 7 VAL CG2 . 18290 1 58 . 1 1 7 7 VAL N N 15 108.144 0.300 . 1 . . . A 7 VAL N . 18290 1 59 . 1 1 8 8 LEU H H 1 7.740 0.020 . 1 . . . A 8 LEU H . 18290 1 60 . 1 1 8 8 LEU HA H 1 4.437 0.020 . 1 . . . A 8 LEU HA . 18290 1 61 . 1 1 8 8 LEU HB2 H 1 1.638 0.020 . 2 . . . A 8 LEU HB2 . 18290 1 62 . 1 1 8 8 LEU HB3 H 1 1.748 0.020 . 2 . . . A 8 LEU HB3 . 18290 1 63 . 1 1 8 8 LEU HG H 1 1.250 0.020 . 1 . . . A 8 LEU HG . 18290 1 64 . 1 1 8 8 LEU HD11 H 1 0.832 0.020 . 1 . . . A 8 LEU HD11 . 18290 1 65 . 1 1 8 8 LEU HD12 H 1 0.832 0.020 . 1 . . . A 8 LEU HD12 . 18290 1 66 . 1 1 8 8 LEU HD13 H 1 0.832 0.020 . 1 . . . A 8 LEU HD13 . 18290 1 67 . 1 1 8 8 LEU HD21 H 1 0.783 0.020 . 1 . . . A 8 LEU HD21 . 18290 1 68 . 1 1 8 8 LEU HD22 H 1 0.783 0.020 . 1 . . . A 8 LEU HD22 . 18290 1 69 . 1 1 8 8 LEU HD23 H 1 0.783 0.020 . 1 . . . A 8 LEU HD23 . 18290 1 70 . 1 1 8 8 LEU C C 13 177.606 0.300 . 1 . . . A 8 LEU C . 18290 1 71 . 1 1 8 8 LEU CA C 13 53.743 0.300 . 1 . . . A 8 LEU CA . 18290 1 72 . 1 1 8 8 LEU CB C 13 40.877 0.300 . 1 . . . A 8 LEU CB . 18290 1 73 . 1 1 8 8 LEU CG C 13 26.906 0.300 . 1 . . . A 8 LEU CG . 18290 1 74 . 1 1 8 8 LEU CD1 C 13 25.032 0.300 . 1 . . . A 8 LEU CD1 . 18290 1 75 . 1 1 8 8 LEU CD2 C 13 21.855 0.300 . 1 . . . A 8 LEU CD2 . 18290 1 76 . 1 1 8 8 LEU N N 15 116.905 0.300 . 1 . . . A 8 LEU N . 18290 1 77 . 1 1 9 9 GLY H H 1 8.184 0.020 . 1 . . . A 9 GLY H . 18290 1 78 . 1 1 9 9 GLY HA2 H 1 4.174 0.020 . 2 . . . A 9 GLY HA2 . 18290 1 79 . 1 1 9 9 GLY HA3 H 1 3.710 0.020 . 2 . . . A 9 GLY HA3 . 18290 1 80 . 1 1 9 9 GLY C C 13 173.972 0.300 . 1 . . . A 9 GLY C . 18290 1 81 . 1 1 9 9 GLY CA C 13 45.305 0.300 . 1 . . . A 9 GLY CA . 18290 1 82 . 1 1 9 9 GLY N N 15 107.294 0.300 . 1 . . . A 9 GLY N . 18290 1 83 . 1 1 10 10 GLN H H 1 7.403 0.020 . 1 . . . A 10 GLN H . 18290 1 84 . 1 1 10 10 GLN HA H 1 4.688 0.020 . 1 . . . A 10 GLN HA . 18290 1 85 . 1 1 10 10 GLN HB2 H 1 2.353 0.020 . 2 . . . A 10 GLN HB2 . 18290 1 86 . 1 1 10 10 GLN HB3 H 1 1.932 0.020 . 2 . . . A 10 GLN HB3 . 18290 1 87 . 1 1 10 10 GLN HG2 H 1 2.315 0.020 . 2 . . . A 10 GLN HG2 . 18290 1 88 . 1 1 10 10 GLN HG3 H 1 2.245 0.020 . 2 . . . A 10 GLN HG3 . 18290 1 89 . 1 1 10 10 GLN C C 13 174.324 0.300 . 1 . . . A 10 GLN C . 18290 1 90 . 1 1 10 10 GLN CA C 13 53.430 0.300 . 1 . . . A 10 GLN CA . 18290 1 91 . 1 1 10 10 GLN CB C 13 30.980 0.300 . 1 . . . A 10 GLN CB . 18290 1 92 . 1 1 10 10 GLN CG C 13 33.750 0.300 . 1 . . . A 10 GLN CG . 18290 1 93 . 1 1 10 10 GLN N N 15 118.436 0.300 . 1 . . . A 10 GLN N . 18290 1 94 . 1 1 11 11 ASP H H 1 8.419 0.020 . 1 . . . A 11 ASP H . 18290 1 95 . 1 1 11 11 ASP HA H 1 4.512 0.020 . 1 . . . A 11 ASP HA . 18290 1 96 . 1 1 11 11 ASP HB2 H 1 2.579 0.020 . 1 . . . A 11 ASP HB2 . 18290 1 97 . 1 1 11 11 ASP HB3 H 1 2.579 0.020 . 1 . . . A 11 ASP HB3 . 18290 1 98 . 1 1 11 11 ASP C C 13 175.731 0.300 . 1 . . . A 11 ASP C . 18290 1 99 . 1 1 11 11 ASP CA C 13 55.930 0.300 . 1 . . . A 11 ASP CA . 18290 1 100 . 1 1 11 11 ASP CB C 13 40.460 0.300 . 1 . . . A 11 ASP CB . 18290 1 101 . 1 1 11 11 ASP N N 15 119.749 0.300 . 1 . . . A 11 ASP N . 18290 1 102 . 1 1 12 12 LEU H H 1 7.777 0.020 . 1 . . . A 12 LEU H . 18290 1 103 . 1 1 12 12 LEU HA H 1 3.915 0.020 . 1 . . . A 12 LEU HA . 18290 1 104 . 1 1 12 12 LEU HB2 H 1 1.733 0.020 . 2 . . . A 12 LEU HB2 . 18290 1 105 . 1 1 12 12 LEU HB3 H 1 0.779 0.020 . 2 . . . A 12 LEU HB3 . 18290 1 106 . 1 1 12 12 LEU HG H 1 0.890 0.020 . 1 . . . A 12 LEU HG . 18290 1 107 . 1 1 12 12 LEU C C 13 175.731 0.300 . 1 . . . A 12 LEU C . 18290 1 108 . 1 1 12 12 LEU CA C 13 55.930 0.300 . 1 . . . A 12 LEU CA . 18290 1 109 . 1 1 12 12 LEU CB C 13 43.328 0.300 . 1 . . . A 12 LEU CB . 18290 1 110 . 1 1 12 12 LEU CG C 13 26.170 0.300 . 1 . . . A 12 LEU CG . 18290 1 111 . 1 1 12 12 LEU N N 15 122.026 0.300 . 1 . . . A 12 LEU N . 18290 1 112 . 1 1 13 13 GLU H H 1 7.964 0.020 . 1 . . . A 13 GLU H . 18290 1 113 . 1 1 13 13 GLU HA H 1 4.653 0.020 . 1 . . . A 13 GLU HA . 18290 1 114 . 1 1 13 13 GLU HB2 H 1 2.020 0.020 . 1 . . . A 13 GLU HB2 . 18290 1 115 . 1 1 13 13 GLU HB3 H 1 2.020 0.020 . 1 . . . A 13 GLU HB3 . 18290 1 116 . 1 1 13 13 GLU HG2 H 1 2.375 0.020 . 2 . . . A 13 GLU HG2 . 18290 1 117 . 1 1 13 13 GLU HG3 H 1 2.275 0.020 . 2 . . . A 13 GLU HG3 . 18290 1 118 . 1 1 13 13 GLU C C 13 175.613 0.300 . 1 . . . A 13 GLU C . 18290 1 119 . 1 1 13 13 GLU CA C 13 54.993 0.300 . 1 . . . A 13 GLU CA . 18290 1 120 . 1 1 13 13 GLU CB C 13 30.616 0.300 . 1 . . . A 13 GLU CB . 18290 1 121 . 1 1 13 13 GLU CG C 13 36.399 0.300 . 1 . . . A 13 GLU CG . 18290 1 122 . 1 1 13 13 GLU N N 15 126.188 0.300 . 1 . . . A 13 GLU N . 18290 1 123 . 1 1 14 14 VAL H H 1 8.477 0.020 . 1 . . . A 14 VAL H . 18290 1 124 . 1 1 14 14 VAL HA H 1 2.143 0.020 . 1 . . . A 14 VAL HA . 18290 1 125 . 1 1 14 14 VAL HB H 1 1.372 0.020 . 1 . . . A 14 VAL HB . 18290 1 126 . 1 1 14 14 VAL HG11 H 1 0.550 0.020 . 2 . . . A 14 VAL HG11 . 18290 1 127 . 1 1 14 14 VAL HG12 H 1 0.550 0.020 . 2 . . . A 14 VAL HG12 . 18290 1 128 . 1 1 14 14 VAL HG13 H 1 0.550 0.020 . 2 . . . A 14 VAL HG13 . 18290 1 129 . 1 1 14 14 VAL HG21 H 1 0.297 0.020 . 2 . . . A 14 VAL HG21 . 18290 1 130 . 1 1 14 14 VAL HG22 H 1 0.297 0.020 . 2 . . . A 14 VAL HG22 . 18290 1 131 . 1 1 14 14 VAL HG23 H 1 0.297 0.020 . 2 . . . A 14 VAL HG23 . 18290 1 132 . 1 1 14 14 VAL C C 13 174.774 0.300 . 1 . . . A 14 VAL C . 18290 1 133 . 1 1 14 14 VAL CA C 13 63.014 0.300 . 1 . . . A 14 VAL CA . 18290 1 134 . 1 1 14 14 VAL CB C 13 32.178 0.300 . 1 . . . A 14 VAL CB . 18290 1 135 . 1 1 14 14 VAL CG1 C 13 19.399 0.300 . 1 . . . A 14 VAL CG1 . 18290 1 136 . 1 1 14 14 VAL CG2 C 13 22.953 0.300 . 1 . . . A 14 VAL CG2 . 18290 1 137 . 1 1 14 14 VAL N N 15 122.978 0.300 . 1 . . . A 14 VAL N . 18290 1 138 . 1 1 15 15 CYS H H 1 8.563 0.020 . 1 . . . A 15 CYS H . 18290 1 139 . 1 1 15 15 CYS HA H 1 5.005 0.020 . 1 . . . A 15 CYS HA . 18290 1 140 . 1 1 15 15 CYS HB2 H 1 3.506 0.020 . 2 . . . A 15 CYS HB2 . 18290 1 141 . 1 1 15 15 CYS HB3 H 1 2.544 0.020 . 2 . . . A 15 CYS HB3 . 18290 1 142 . 1 1 15 15 CYS C C 13 174.374 0.300 . 1 . . . A 15 CYS C . 18290 1 143 . 1 1 15 15 CYS CA C 13 55.930 0.300 . 1 . . . A 15 CYS CA . 18290 1 144 . 1 1 15 15 CYS CB C 13 38.612 0.300 . 1 . . . A 15 CYS CB . 18290 1 145 . 1 1 15 15 CYS N N 15 126.761 0.300 . 1 . . . A 15 CYS N . 18290 1 146 . 1 1 16 16 CYS H H 1 8.045 0.020 . 1 . . . A 16 CYS H . 18290 1 147 . 1 1 16 16 CYS HA H 1 4.163 0.020 . 1 . . . A 16 CYS HA . 18290 1 148 . 1 1 16 16 CYS HB2 H 1 1.924 0.020 . 1 . . . A 16 CYS HB2 . 18290 1 149 . 1 1 16 16 CYS HB3 H 1 1.924 0.020 . 1 . . . A 16 CYS HB3 . 18290 1 150 . 1 1 16 16 CYS C C 13 172.610 0.300 . 1 . . . A 16 CYS C . 18290 1 151 . 1 1 16 16 CYS CA C 13 60.931 0.300 . 1 . . . A 16 CYS CA . 18290 1 152 . 1 1 16 16 CYS CB C 13 30.616 0.300 . 1 . . . A 16 CYS CB . 18290 1 153 . 1 1 16 16 CYS N N 15 116.879 0.300 . 1 . . . A 16 CYS N . 18290 1 154 . 1 1 17 17 CYS H H 1 9.074 0.020 . 1 . . . A 17 CYS H . 18290 1 155 . 1 1 17 17 CYS HA H 1 5.342 0.020 . 1 . . . A 17 CYS HA . 18290 1 156 . 1 1 17 17 CYS HB2 H 1 3.138 0.020 . 2 . . . A 17 CYS HB2 . 18290 1 157 . 1 1 17 17 CYS HB3 H 1 2.653 0.020 . 2 . . . A 17 CYS HB3 . 18290 1 158 . 1 1 17 17 CYS C C 13 173.152 0.300 . 1 . . . A 17 CYS C . 18290 1 159 . 1 1 17 17 CYS CA C 13 58.118 0.300 . 1 . . . A 17 CYS CA . 18290 1 160 . 1 1 17 17 CYS CB C 13 28.698 0.300 . 1 . . . A 17 CYS CB . 18290 1 161 . 1 1 17 17 CYS N N 15 124.071 0.300 . 1 . . . A 17 CYS N . 18290 1 162 . 1 1 18 18 ALA H H 1 7.826 0.020 . 1 . . . A 18 ALA H . 18290 1 163 . 1 1 18 18 ALA HA H 1 4.604 0.020 . 1 . . . A 18 ALA HA . 18290 1 164 . 1 1 18 18 ALA HB1 H 1 1.276 0.020 . 1 . . . A 18 ALA HB1 . 18290 1 165 . 1 1 18 18 ALA HB2 H 1 1.276 0.020 . 1 . . . A 18 ALA HB2 . 18290 1 166 . 1 1 18 18 ALA HB3 H 1 1.276 0.020 . 1 . . . A 18 ALA HB3 . 18290 1 167 . 1 1 18 18 ALA C C 13 172.906 0.300 . 1 . . . A 18 ALA C . 18290 1 168 . 1 1 18 18 ALA CA C 13 50.565 0.300 . 1 . . . A 18 ALA CA . 18290 1 169 . 1 1 18 18 ALA CB C 13 19.001 0.300 . 1 . . . A 18 ALA CB . 18290 1 170 . 1 1 18 18 ALA N N 15 123.634 0.300 . 1 . . . A 18 ALA N . 18290 1 171 . 1 1 19 19 PRO HA H 1 3.904 0.020 . 1 . . . A 19 PRO HA . 18290 1 172 . 1 1 19 19 PRO HB2 H 1 2.139 0.020 . 2 . . . A 19 PRO HB2 . 18290 1 173 . 1 1 19 19 PRO HB3 H 1 1.752 0.020 . 2 . . . A 19 PRO HB3 . 18290 1 174 . 1 1 19 19 PRO HG2 H 1 2.031 0.020 . 2 . . . A 19 PRO HG2 . 18290 1 175 . 1 1 19 19 PRO HG3 H 1 1.935 0.020 . 2 . . . A 19 PRO HG3 . 18290 1 176 . 1 1 19 19 PRO HD2 H 1 3.903 0.020 . 2 . . . A 19 PRO HD2 . 18290 1 177 . 1 1 19 19 PRO HD3 H 1 3.451 0.020 . 2 . . . A 19 PRO HD3 . 18290 1 178 . 1 1 19 19 PRO CA C 13 62.985 0.300 . 1 . . . A 19 PRO CA . 18290 1 179 . 1 1 19 19 PRO CB C 13 32.719 0.300 . 1 . . . A 19 PRO CB . 18290 1 180 . 1 1 19 19 PRO CG C 13 27.421 0.300 . 1 . . . A 19 PRO CG . 18290 1 181 . 1 1 19 19 PRO CD C 13 50.675 0.300 . 1 . . . A 19 PRO CD . 18290 1 182 . 1 1 20 20 MET H H 1 8.650 0.020 . 1 . . . A 20 MET H . 18290 1 183 . 1 1 20 20 MET HA H 1 4.154 0.020 . 1 . . . A 20 MET HA . 18290 1 184 . 1 1 20 20 MET HE1 H 1 2.212 0.020 . 1 . . . A 20 MET HE1 . 18290 1 185 . 1 1 20 20 MET HE2 H 1 2.212 0.020 . 1 . . . A 20 MET HE2 . 18290 1 186 . 1 1 20 20 MET HE3 H 1 2.212 0.020 . 1 . . . A 20 MET HE3 . 18290 1 187 . 1 1 20 20 MET C C 13 174.606 0.300 . 1 . . . A 20 MET C . 18290 1 188 . 1 1 20 20 MET CA C 13 51.868 0.300 . 1 . . . A 20 MET CA . 18290 1 189 . 1 1 20 20 MET CB C 13 31.554 0.300 . 1 . . . A 20 MET CB . 18290 1 190 . 1 1 20 20 MET CE C 13 16.463 0.300 . 1 . . . A 20 MET CE . 18290 1 191 . 1 1 20 20 MET N N 15 117.922 0.300 . 1 . . . A 20 MET N . 18290 1 192 . 1 1 21 21 THR HA H 1 4.089 0.020 . 1 . . . A 21 THR HA . 18290 1 193 . 1 1 21 21 THR HB H 1 3.821 0.020 . 1 . . . A 21 THR HB . 18290 1 194 . 1 1 21 21 THR HG21 H 1 1.157 0.020 . 1 . . . A 21 THR HG21 . 18290 1 195 . 1 1 21 21 THR HG22 H 1 1.157 0.020 . 1 . . . A 21 THR HG22 . 18290 1 196 . 1 1 21 21 THR HG23 H 1 1.157 0.020 . 1 . . . A 21 THR HG23 . 18290 1 197 . 1 1 21 21 THR CA C 13 58.403 0.300 . 1 . . . A 21 THR CA . 18290 1 198 . 1 1 21 21 THR CB C 13 70.619 0.300 . 1 . . . A 21 THR CB . 18290 1 199 . 1 1 21 21 THR CG2 C 13 19.331 0.300 . 1 . . . A 21 THR CG2 . 18290 1 200 . 1 1 22 22 GLY H H 1 3.908 0.020 . 1 . . . A 22 GLY H . 18290 1 201 . 1 1 22 22 GLY HA2 H 1 3.826 0.020 . 2 . . . A 22 GLY HA2 . 18290 1 202 . 1 1 22 22 GLY HA3 H 1 2.641 0.020 . 2 . . . A 22 GLY HA3 . 18290 1 203 . 1 1 22 22 GLY CA C 13 44.078 0.300 . 1 . . . A 22 GLY CA . 18290 1 204 . 1 1 22 22 GLY N N 15 103.763 0.300 . 1 . . . A 22 GLY N . 18290 1 205 . 1 1 23 23 TRP H H 1 8.308 0.020 . 1 . . . A 23 TRP H . 18290 1 206 . 1 1 23 23 TRP HE1 H 1 9.839 0.020 . 1 . . . A 23 TRP HE1 . 18290 1 207 . 1 1 23 23 TRP HZ2 H 1 7.212 0.020 . 1 . . . A 23 TRP HZ2 . 18290 1 208 . 1 1 23 23 TRP HH2 H 1 7.149 0.020 . 1 . . . A 23 TRP HH2 . 18290 1 209 . 1 1 23 23 TRP CA C 13 55.962 0.300 . 1 . . . A 23 TRP CA . 18290 1 210 . 1 1 23 23 TRP CB C 13 30.502 0.300 . 1 . . . A 23 TRP CB . 18290 1 211 . 1 1 23 23 TRP CZ2 C 13 114.000 0.300 . 1 . . . A 23 TRP CZ2 . 18290 1 212 . 1 1 23 23 TRP CH2 C 13 124.320 0.300 . 1 . . . A 23 TRP CH2 . 18290 1 213 . 1 1 23 23 TRP N N 15 119.761 0.300 . 1 . . . A 23 TRP N . 18290 1 214 . 1 1 23 23 TRP NE1 N 15 127.979 0.300 . 1 . . . A 23 TRP NE1 . 18290 1 215 . 1 1 24 24 TYR H H 1 9.285 0.020 . 1 . . . A 24 TYR H . 18290 1 216 . 1 1 24 24 TYR HA H 1 4.305 0.020 . 1 . . . A 24 TYR HA . 18290 1 217 . 1 1 24 24 TYR HB2 H 1 2.783 0.020 . 2 . . . A 24 TYR HB2 . 18290 1 218 . 1 1 24 24 TYR HB3 H 1 2.612 0.020 . 2 . . . A 24 TYR HB3 . 18290 1 219 . 1 1 24 24 TYR HD1 H 1 7.192 0.020 . 1 . . . A 24 TYR HD1 . 18290 1 220 . 1 1 24 24 TYR HD2 H 1 7.192 0.020 . 1 . . . A 24 TYR HD2 . 18290 1 221 . 1 1 24 24 TYR HE1 H 1 6.837 0.020 . 1 . . . A 24 TYR HE1 . 18290 1 222 . 1 1 24 24 TYR HE2 H 1 6.837 0.020 . 1 . . . A 24 TYR HE2 . 18290 1 223 . 1 1 24 24 TYR CA C 13 56.868 0.300 . 1 . . . A 24 TYR CA . 18290 1 224 . 1 1 24 24 TYR CD1 C 13 132.802 0.300 . 1 . . . A 24 TYR CD1 . 18290 1 225 . 1 1 24 24 TYR CE1 C 13 118.782 0.300 . 1 . . . A 24 TYR CE1 . 18290 1 226 . 1 1 24 24 TYR N N 15 113.135 0.300 . 1 . . . A 24 TYR N . 18290 1 227 . 1 1 25 25 ARG H H 1 8.315 0.020 . 1 . . . A 25 ARG H . 18290 1 228 . 1 1 25 25 ARG HA H 1 3.515 0.020 . 1 . . . A 25 ARG HA . 18290 1 229 . 1 1 25 25 ARG CA C 13 55.358 0.300 . 1 . . . A 25 ARG CA . 18290 1 230 . 1 1 25 25 ARG CB C 13 26.877 0.300 . 1 . . . A 25 ARG CB . 18290 1 231 . 1 1 25 25 ARG N N 15 115.708 0.300 . 1 . . . A 25 ARG N . 18290 1 232 . 1 1 26 26 ASN H H 1 7.408 0.020 . 1 . . . A 26 ASN H . 18290 1 233 . 1 1 26 26 ASN HA H 1 5.014 0.020 . 1 . . . A 26 ASN HA . 18290 1 234 . 1 1 26 26 ASN HB2 H 1 3.465 0.020 . 2 . . . A 26 ASN HB2 . 18290 1 235 . 1 1 26 26 ASN HB3 H 1 2.680 0.020 . 2 . . . A 26 ASN HB3 . 18290 1 236 . 1 1 26 26 ASN HD21 H 1 7.687 0.020 . 2 . . . A 26 ASN HD21 . 18290 1 237 . 1 1 26 26 ASN HD22 H 1 6.970 0.020 . 2 . . . A 26 ASN HD22 . 18290 1 238 . 1 1 26 26 ASN C C 13 176.430 0.300 . 1 . . . A 26 ASN C . 18290 1 239 . 1 1 26 26 ASN CA C 13 51.439 0.300 . 1 . . . A 26 ASN CA . 18290 1 240 . 1 1 26 26 ASN CB C 13 39.142 0.300 . 1 . . . A 26 ASN CB . 18290 1 241 . 1 1 26 26 ASN N N 15 111.526 0.300 . 1 . . . A 26 ASN N . 18290 1 242 . 1 1 26 26 ASN ND2 N 15 112.074 0.300 . 1 . . . A 26 ASN ND2 . 18290 1 243 . 1 1 27 27 GLY H H 1 8.812 0.020 . 1 . . . A 27 GLY H . 18290 1 244 . 1 1 27 27 GLY HA2 H 1 4.182 0.020 . 2 . . . A 27 GLY HA2 . 18290 1 245 . 1 1 27 27 GLY HA3 H 1 3.950 0.020 . 2 . . . A 27 GLY HA3 . 18290 1 246 . 1 1 27 27 GLY C C 13 174.676 0.300 . 1 . . . A 27 GLY C . 18290 1 247 . 1 1 27 27 GLY CA C 13 45.304 0.300 . 1 . . . A 27 GLY CA . 18290 1 248 . 1 1 27 27 GLY N N 15 108.208 0.300 . 1 . . . A 27 GLY N . 18290 1 249 . 1 1 28 28 PHE H H 1 8.076 0.020 . 1 . . . A 28 PHE H . 18290 1 250 . 1 1 28 28 PHE HA H 1 4.606 0.020 . 1 . . . A 28 PHE HA . 18290 1 251 . 1 1 28 28 PHE HB2 H 1 3.184 0.020 . 2 . . . A 28 PHE HB2 . 18290 1 252 . 1 1 28 28 PHE HB3 H 1 2.788 0.020 . 2 . . . A 28 PHE HB3 . 18290 1 253 . 1 1 28 28 PHE HD1 H 1 6.874 0.020 . 1 . . . A 28 PHE HD1 . 18290 1 254 . 1 1 28 28 PHE HD2 H 1 6.874 0.020 . 1 . . . A 28 PHE HD2 . 18290 1 255 . 1 1 28 28 PHE C C 13 176.016 0.300 . 1 . . . A 28 PHE C . 18290 1 256 . 1 1 28 28 PHE CA C 13 56.868 0.300 . 1 . . . A 28 PHE CA . 18290 1 257 . 1 1 28 28 PHE CB C 13 42.492 0.300 . 1 . . . A 28 PHE CB . 18290 1 258 . 1 1 28 28 PHE CD1 C 13 131.304 0.300 . 1 . . . A 28 PHE CD1 . 18290 1 259 . 1 1 28 28 PHE N N 15 119.581 0.300 . 1 . . . A 28 PHE N . 18290 1 260 . 1 1 29 29 CYS H H 1 10.377 0.020 . 1 . . . A 29 CYS H . 18290 1 261 . 1 1 29 29 CYS HA H 1 5.748 0.020 . 1 . . . A 29 CYS HA . 18290 1 262 . 1 1 29 29 CYS HB2 H 1 3.939 0.020 . 2 . . . A 29 CYS HB2 . 18290 1 263 . 1 1 29 29 CYS HB3 H 1 2.711 0.020 . 2 . . . A 29 CYS HB3 . 18290 1 264 . 1 1 29 29 CYS C C 13 174.995 0.300 . 1 . . . A 29 CYS C . 18290 1 265 . 1 1 29 29 CYS CA C 13 52.180 0.300 . 1 . . . A 29 CYS CA . 18290 1 266 . 1 1 29 29 CYS CB C 13 32.127 0.300 . 1 . . . A 29 CYS CB . 18290 1 267 . 1 1 29 29 CYS N N 15 122.939 0.300 . 1 . . . A 29 CYS N . 18290 1 268 . 1 1 30 30 GLN H H 1 6.785 0.020 . 1 . . . A 30 GLN H . 18290 1 269 . 1 1 30 30 GLN HA H 1 4.301 0.020 . 1 . . . A 30 GLN HA . 18290 1 270 . 1 1 30 30 GLN HB2 H 1 2.285 0.020 . 1 . . . A 30 GLN HB2 . 18290 1 271 . 1 1 30 30 GLN HB3 H 1 2.285 0.020 . 1 . . . A 30 GLN HB3 . 18290 1 272 . 1 1 30 30 GLN HG2 H 1 2.548 0.020 . 2 . . . A 30 GLN HG2 . 18290 1 273 . 1 1 30 30 GLN HG3 H 1 2.397 0.020 . 2 . . . A 30 GLN HG3 . 18290 1 274 . 1 1 30 30 GLN C C 13 176.071 0.300 . 1 . . . A 30 GLN C . 18290 1 275 . 1 1 30 30 GLN CA C 13 55.618 0.300 . 1 . . . A 30 GLN CA . 18290 1 276 . 1 1 30 30 GLN CB C 13 30.824 0.300 . 1 . . . A 30 GLN CB . 18290 1 277 . 1 1 30 30 GLN CG C 13 34.558 0.300 . 1 . . . A 30 GLN CG . 18290 1 278 . 1 1 30 30 GLN N N 15 114.538 0.300 . 1 . . . A 30 GLN N . 18290 1 279 . 1 1 31 31 THR H H 1 8.930 0.020 . 1 . . . A 31 THR H . 18290 1 280 . 1 1 31 31 THR HA H 1 4.656 0.020 . 1 . . . A 31 THR HA . 18290 1 281 . 1 1 31 31 THR HB H 1 3.614 0.020 . 1 . . . A 31 THR HB . 18290 1 282 . 1 1 31 31 THR HG21 H 1 0.904 0.020 . 1 . . . A 31 THR HG21 . 18290 1 283 . 1 1 31 31 THR HG22 H 1 0.904 0.020 . 1 . . . A 31 THR HG22 . 18290 1 284 . 1 1 31 31 THR HG23 H 1 0.904 0.020 . 1 . . . A 31 THR HG23 . 18290 1 285 . 1 1 31 31 THR C C 13 171.644 0.300 . 1 . . . A 31 THR C . 18290 1 286 . 1 1 31 31 THR CA C 13 59.993 0.300 . 1 . . . A 31 THR CA . 18290 1 287 . 1 1 31 31 THR CB C 13 69.994 0.300 . 1 . . . A 31 THR CB . 18290 1 288 . 1 1 31 31 THR CG2 C 13 18.198 0.300 . 1 . . . A 31 THR CG2 . 18290 1 289 . 1 1 31 31 THR N N 15 116.377 0.300 . 1 . . . A 31 THR N . 18290 1 290 . 1 1 32 32 ASP H H 1 8.077 0.020 . 1 . . . A 32 ASP H . 18290 1 291 . 1 1 32 32 ASP HA H 1 4.723 0.020 . 1 . . . A 32 ASP HA . 18290 1 292 . 1 1 32 32 ASP HB2 H 1 3.194 0.020 . 2 . . . A 32 ASP HB2 . 18290 1 293 . 1 1 32 32 ASP HB3 H 1 3.081 0.020 . 2 . . . A 32 ASP HB3 . 18290 1 294 . 1 1 32 32 ASP C C 13 176.540 0.300 . 1 . . . A 32 ASP C . 18290 1 295 . 1 1 32 32 ASP CA C 13 53.430 0.300 . 1 . . . A 32 ASP CA . 18290 1 296 . 1 1 32 32 ASP CB C 13 44.404 0.300 . 1 . . . A 32 ASP CB . 18290 1 297 . 1 1 32 32 ASP N N 15 118.964 0.300 . 1 . . . A 32 ASP N . 18290 1 298 . 1 1 33 33 VAL H H 1 8.284 0.020 . 1 . . . A 33 VAL H . 18290 1 299 . 1 1 33 33 VAL HA H 1 3.880 0.020 . 1 . . . A 33 VAL HA . 18290 1 300 . 1 1 33 33 VAL HB H 1 2.148 0.020 . 1 . . . A 33 VAL HB . 18290 1 301 . 1 1 33 33 VAL HG11 H 1 1.001 0.020 . 1 . . . A 33 VAL HG11 . 18290 1 302 . 1 1 33 33 VAL HG12 H 1 1.001 0.020 . 1 . . . A 33 VAL HG12 . 18290 1 303 . 1 1 33 33 VAL HG13 H 1 1.001 0.020 . 1 . . . A 33 VAL HG13 . 18290 1 304 . 1 1 33 33 VAL HG21 H 1 1.001 0.020 . 1 . . . A 33 VAL HG21 . 18290 1 305 . 1 1 33 33 VAL HG22 H 1 1.001 0.020 . 1 . . . A 33 VAL HG22 . 18290 1 306 . 1 1 33 33 VAL HG23 H 1 1.001 0.020 . 1 . . . A 33 VAL HG23 . 18290 1 307 . 1 1 33 33 VAL C C 13 177.020 0.300 . 1 . . . A 33 VAL C . 18290 1 308 . 1 1 33 33 VAL CA C 13 64.519 0.300 . 1 . . . A 33 VAL CA . 18290 1 309 . 1 1 33 33 VAL CB C 13 31.753 0.300 . 1 . . . A 33 VAL CB . 18290 1 310 . 1 1 33 33 VAL CG1 C 13 20.545 0.300 . 1 . . . A 33 VAL CG1 . 18290 1 311 . 1 1 33 33 VAL N N 15 118.886 0.300 . 1 . . . A 33 VAL N . 18290 1 312 . 1 1 34 34 GLN H H 1 8.667 0.020 . 1 . . . A 34 GLN H . 18290 1 313 . 1 1 34 34 GLN HA H 1 4.146 0.020 . 1 . . . A 34 GLN HA . 18290 1 314 . 1 1 34 34 GLN HB2 H 1 2.438 0.020 . 1 . . . A 34 GLN HB2 . 18290 1 315 . 1 1 34 34 GLN HB3 H 1 2.438 0.020 . 1 . . . A 34 GLN HB3 . 18290 1 316 . 1 1 34 34 GLN HG2 H 1 2.592 0.020 . 2 . . . A 34 GLN HG2 . 18290 1 317 . 1 1 34 34 GLN HG3 H 1 2.453 0.020 . 2 . . . A 34 GLN HG3 . 18290 1 318 . 1 1 34 34 GLN C C 13 176.254 0.300 . 1 . . . A 34 GLN C . 18290 1 319 . 1 1 34 34 GLN CA C 13 57.034 0.300 . 1 . . . A 34 GLN CA . 18290 1 320 . 1 1 34 34 GLN CB C 13 28.595 0.300 . 1 . . . A 34 GLN CB . 18290 1 321 . 1 1 34 34 GLN CG C 13 34.487 0.300 . 1 . . . A 34 GLN CG . 18290 1 322 . 1 1 34 34 GLN N N 15 117.857 0.300 . 1 . . . A 34 GLN N . 18290 1 323 . 1 1 35 35 ASP H H 1 7.252 0.020 . 1 . . . A 35 ASP H . 18290 1 324 . 1 1 35 35 ASP C C 13 176.595 0.300 . 1 . . . A 35 ASP C . 18290 1 325 . 1 1 35 35 ASP CA C 13 51.243 0.300 . 1 . . . A 35 ASP CA . 18290 1 326 . 1 1 35 35 ASP CB C 13 36.554 0.300 . 1 . . . A 35 ASP CB . 18290 1 327 . 1 1 35 35 ASP N N 15 118.475 0.300 . 1 . . . A 35 ASP N . 18290 1 328 . 1 1 36 36 ARG H H 1 7.684 0.020 . 1 . . . A 36 ARG H . 18290 1 329 . 1 1 36 36 ARG HA H 1 3.860 0.020 . 1 . . . A 36 ARG HA . 18290 1 330 . 1 1 36 36 ARG HB2 H 1 1.854 0.020 . 2 . . . A 36 ARG HB2 . 18290 1 331 . 1 1 36 36 ARG HB3 H 1 1.771 0.020 . 2 . . . A 36 ARG HB3 . 18290 1 332 . 1 1 36 36 ARG HG2 H 1 1.723 0.020 . 2 . . . A 36 ARG HG2 . 18290 1 333 . 1 1 36 36 ARG HG3 H 1 1.656 0.020 . 2 . . . A 36 ARG HG3 . 18290 1 334 . 1 1 36 36 ARG HD2 H 1 3.235 0.020 . 1 . . . A 36 ARG HD2 . 18290 1 335 . 1 1 36 36 ARG HD3 H 1 3.235 0.020 . 1 . . . A 36 ARG HD3 . 18290 1 336 . 1 1 36 36 ARG CA C 13 58.357 0.300 . 1 . . . A 36 ARG CA . 18290 1 337 . 1 1 36 36 ARG CB C 13 29.383 0.300 . 1 . . . A 36 ARG CB . 18290 1 338 . 1 1 36 36 ARG CG C 13 27.095 0.300 . 1 . . . A 36 ARG CG . 18290 1 339 . 1 1 36 36 ARG CD C 13 42.815 0.300 . 1 . . . A 36 ARG CD . 18290 1 340 . 1 1 36 36 ARG N N 15 125.550 0.300 . 1 . . . A 36 ARG N . 18290 1 341 . 1 1 37 37 GLY H H 1 8.851 0.020 . 1 . . . A 37 GLY H . 18290 1 342 . 1 1 37 37 GLY HA2 H 1 3.816 0.020 . 2 . . . A 37 GLY HA2 . 18290 1 343 . 1 1 37 37 GLY HA3 H 1 3.458 0.020 . 2 . . . A 37 GLY HA3 . 18290 1 344 . 1 1 37 37 GLY C C 13 173.725 0.300 . 1 . . . A 37 GLY C . 18290 1 345 . 1 1 37 37 GLY CA C 13 45.305 0.300 . 1 . . . A 37 GLY CA . 18290 1 346 . 1 1 37 37 GLY N N 15 105.802 0.300 . 1 . . . A 37 GLY N . 18290 1 347 . 1 1 38 38 SER H H 1 7.400 0.020 . 1 . . . A 38 SER H . 18290 1 348 . 1 1 38 38 SER HA H 1 3.545 0.020 . 1 . . . A 38 SER HA . 18290 1 349 . 1 1 38 38 SER HB2 H 1 4.202 0.020 . 2 . . . A 38 SER HB2 . 18290 1 350 . 1 1 38 38 SER HB3 H 1 3.417 0.020 . 2 . . . A 38 SER HB3 . 18290 1 351 . 1 1 38 38 SER C C 13 174.374 0.300 . 1 . . . A 38 SER C . 18290 1 352 . 1 1 38 38 SER CA C 13 58.832 0.300 . 1 . . . A 38 SER CA . 18290 1 353 . 1 1 38 38 SER CB C 13 60.931 0.300 . 1 . . . A 38 SER CB . 18290 1 354 . 1 1 38 38 SER N N 15 115.265 0.300 . 1 . . . A 38 SER N . 18290 1 355 . 1 1 40 40 THR HA H 1 4.522 0.020 . 1 . . . A 40 THR HA . 18290 1 356 . 1 1 40 40 THR HB H 1 4.510 0.020 . 1 . . . A 40 THR HB . 18290 1 357 . 1 1 40 40 THR HG21 H 1 1.069 0.020 . 1 . . . A 40 THR HG21 . 18290 1 358 . 1 1 40 40 THR HG22 H 1 1.069 0.020 . 1 . . . A 40 THR HG22 . 18290 1 359 . 1 1 40 40 THR HG23 H 1 1.069 0.020 . 1 . . . A 40 THR HG23 . 18290 1 360 . 1 1 40 40 THR CA C 13 61.861 0.300 . 1 . . . A 40 THR CA . 18290 1 361 . 1 1 40 40 THR CB C 13 71.081 0.300 . 1 . . . A 40 THR CB . 18290 1 362 . 1 1 40 40 THR CG2 C 13 23.395 0.300 . 1 . . . A 40 THR CG2 . 18290 1 363 . 1 1 41 41 VAL HA H 1 4.184 0.020 . 1 . . . A 41 VAL HA . 18290 1 364 . 1 1 41 41 VAL HB H 1 1.858 0.020 . 1 . . . A 41 VAL HB . 18290 1 365 . 1 1 41 41 VAL HG11 H 1 0.713 0.020 . 1 . . . A 41 VAL HG11 . 18290 1 366 . 1 1 41 41 VAL HG12 H 1 0.713 0.020 . 1 . . . A 41 VAL HG12 . 18290 1 367 . 1 1 41 41 VAL HG13 H 1 0.713 0.020 . 1 . . . A 41 VAL HG13 . 18290 1 368 . 1 1 41 41 VAL HG21 H 1 0.266 0.020 . 1 . . . A 41 VAL HG21 . 18290 1 369 . 1 1 41 41 VAL HG22 H 1 0.266 0.020 . 1 . . . A 41 VAL HG22 . 18290 1 370 . 1 1 41 41 VAL HG23 H 1 0.266 0.020 . 1 . . . A 41 VAL HG23 . 18290 1 371 . 1 1 41 41 VAL C C 13 174.194 0.300 . 1 . . . A 41 VAL C . 18290 1 372 . 1 1 41 41 VAL CA C 13 61.689 0.300 . 1 . . . A 41 VAL CA . 18290 1 373 . 1 1 41 41 VAL CB C 13 33.065 0.300 . 1 . . . A 41 VAL CB . 18290 1 374 . 1 1 41 41 VAL CG1 C 13 20.908 0.300 . 1 . . . A 41 VAL CG1 . 18290 1 375 . 1 1 41 41 VAL CG2 C 13 20.835 0.300 . 1 . . . A 41 VAL CG2 . 18290 1 376 . 1 1 42 42 CYS H H 1 7.960 0.020 . 1 . . . A 42 CYS H . 18290 1 377 . 1 1 42 42 CYS HA H 1 4.934 0.020 . 1 . . . A 42 CYS HA . 18290 1 378 . 1 1 42 42 CYS HB2 H 1 3.125 0.020 . 2 . . . A 42 CYS HB2 . 18290 1 379 . 1 1 42 42 CYS HB3 H 1 2.719 0.020 . 2 . . . A 42 CYS HB3 . 18290 1 380 . 1 1 42 42 CYS C C 13 171.863 0.300 . 1 . . . A 42 CYS C . 18290 1 381 . 1 1 42 42 CYS CA C 13 55.305 0.300 . 1 . . . A 42 CYS CA . 18290 1 382 . 1 1 42 42 CYS CB C 13 39.054 0.300 . 1 . . . A 42 CYS CB . 18290 1 383 . 1 1 42 42 CYS N N 15 128.125 0.300 . 1 . . . A 42 CYS N . 18290 1 384 . 1 1 43 43 ALA H H 1 8.941 0.020 . 1 . . . A 43 ALA H . 18290 1 385 . 1 1 43 43 ALA HA H 1 5.482 0.020 . 1 . . . A 43 ALA HA . 18290 1 386 . 1 1 43 43 ALA HB1 H 1 1.108 0.020 . 1 . . . A 43 ALA HB1 . 18290 1 387 . 1 1 43 43 ALA HB2 H 1 1.108 0.020 . 1 . . . A 43 ALA HB2 . 18290 1 388 . 1 1 43 43 ALA HB3 H 1 1.108 0.020 . 1 . . . A 43 ALA HB3 . 18290 1 389 . 1 1 43 43 ALA C C 13 174.967 0.300 . 1 . . . A 43 ALA C . 18290 1 390 . 1 1 43 43 ALA CA C 13 49.367 0.300 . 1 . . . A 43 ALA CA . 18290 1 391 . 1 1 43 43 ALA CB C 13 23.412 0.300 . 1 . . . A 43 ALA CB . 18290 1 392 . 1 1 43 43 ALA N N 15 131.843 0.300 . 1 . . . A 43 ALA N . 18290 1 393 . 1 1 44 44 GLU H H 1 8.506 0.020 . 1 . . . A 44 GLU H . 18290 1 394 . 1 1 44 44 GLU HA H 1 4.794 0.020 . 1 . . . A 44 GLU HA . 18290 1 395 . 1 1 44 44 GLU HB2 H 1 1.996 0.020 . 1 . . . A 44 GLU HB2 . 18290 1 396 . 1 1 44 44 GLU HB3 H 1 1.996 0.020 . 1 . . . A 44 GLU HB3 . 18290 1 397 . 1 1 44 44 GLU HG2 H 1 2.037 0.020 . 1 . . . A 44 GLU HG2 . 18290 1 398 . 1 1 44 44 GLU HG3 H 1 2.037 0.020 . 1 . . . A 44 GLU HG3 . 18290 1 399 . 1 1 44 44 GLU C C 13 174.884 0.300 . 1 . . . A 44 GLU C . 18290 1 400 . 1 1 44 44 GLU CA C 13 54.680 0.300 . 1 . . . A 44 GLU CA . 18290 1 401 . 1 1 44 44 GLU CB C 13 32.588 0.300 . 1 . . . A 44 GLU CB . 18290 1 402 . 1 1 44 44 GLU CG C 13 37.945 0.300 . 1 . . . A 44 GLU CG . 18290 1 403 . 1 1 44 44 GLU N N 15 120.186 0.300 . 1 . . . A 44 GLU N . 18290 1 404 . 1 1 45 45 MET H H 1 9.460 0.020 . 1 . . . A 45 MET H . 18290 1 405 . 1 1 45 45 MET HA H 1 4.442 0.020 . 1 . . . A 45 MET HA . 18290 1 406 . 1 1 45 45 MET HB2 H 1 2.696 0.020 . 2 . . . A 45 MET HB2 . 18290 1 407 . 1 1 45 45 MET HB3 H 1 1.584 0.020 . 2 . . . A 45 MET HB3 . 18290 1 408 . 1 1 45 45 MET HG2 H 1 2.832 0.020 . 2 . . . A 45 MET HG2 . 18290 1 409 . 1 1 45 45 MET HG3 H 1 2.779 0.020 . 2 . . . A 45 MET HG3 . 18290 1 410 . 1 1 45 45 MET HE1 H 1 2.138 0.020 . 1 . . . A 45 MET HE1 . 18290 1 411 . 1 1 45 45 MET HE2 H 1 2.138 0.020 . 1 . . . A 45 MET HE2 . 18290 1 412 . 1 1 45 45 MET HE3 H 1 2.138 0.020 . 1 . . . A 45 MET HE3 . 18290 1 413 . 1 1 45 45 MET C C 13 177.723 0.300 . 1 . . . A 45 MET C . 18290 1 414 . 1 1 45 45 MET CA C 13 56.243 0.300 . 1 . . . A 45 MET CA . 18290 1 415 . 1 1 45 45 MET CB C 13 36.554 0.300 . 1 . . . A 45 MET CB . 18290 1 416 . 1 1 45 45 MET CG C 13 33.602 0.300 . 1 . . . A 45 MET CG . 18290 1 417 . 1 1 45 45 MET CE C 13 22.320 0.300 . 1 . . . A 45 MET CE . 18290 1 418 . 1 1 45 45 MET N N 15 120.675 0.300 . 1 . . . A 45 MET N . 18290 1 419 . 1 1 46 46 THR H H 1 6.901 0.020 . 1 . . . A 46 THR H . 18290 1 420 . 1 1 46 46 THR HA H 1 4.794 0.020 . 1 . . . A 46 THR HA . 18290 1 421 . 1 1 46 46 THR HB H 1 4.708 0.020 . 1 . . . A 46 THR HB . 18290 1 422 . 1 1 46 46 THR HG21 H 1 1.454 0.020 . 1 . . . A 46 THR HG21 . 18290 1 423 . 1 1 46 46 THR HG22 H 1 1.454 0.020 . 1 . . . A 46 THR HG22 . 18290 1 424 . 1 1 46 46 THR HG23 H 1 1.454 0.020 . 1 . . . A 46 THR HG23 . 18290 1 425 . 1 1 46 46 THR C C 13 174.207 0.300 . 1 . . . A 46 THR C . 18290 1 426 . 1 1 46 46 THR CA C 13 57.805 0.300 . 1 . . . A 46 THR CA . 18290 1 427 . 1 1 46 46 THR CB C 13 71.556 0.300 . 1 . . . A 46 THR CB . 18290 1 428 . 1 1 46 46 THR CG2 C 13 22.049 0.300 . 1 . . . A 46 THR CG2 . 18290 1 429 . 1 1 46 46 THR N N 15 110.714 0.300 . 1 . . . A 46 THR N . 18290 1 430 . 1 1 47 47 GLU H H 1 9.691 0.020 . 1 . . . A 47 GLU H . 18290 1 431 . 1 1 47 47 GLU HA H 1 4.075 0.020 . 1 . . . A 47 GLU HA . 18290 1 432 . 1 1 47 47 GLU HB2 H 1 2.101 0.020 . 1 . . . A 47 GLU HB2 . 18290 1 433 . 1 1 47 47 GLU HB3 H 1 2.101 0.020 . 1 . . . A 47 GLU HB3 . 18290 1 434 . 1 1 47 47 GLU HG2 H 1 2.289 0.020 . 2 . . . A 47 GLU HG2 . 18290 1 435 . 1 1 47 47 GLU HG3 H 1 2.355 0.020 . 2 . . . A 47 GLU HG3 . 18290 1 436 . 1 1 47 47 GLU C C 13 178.309 0.300 . 1 . . . A 47 GLU C . 18290 1 437 . 1 1 47 47 GLU CA C 13 60.159 0.300 . 1 . . . A 47 GLU CA . 18290 1 438 . 1 1 47 47 GLU CB C 13 29.483 0.300 . 1 . . . A 47 GLU CB . 18290 1 439 . 1 1 47 47 GLU CG C 13 36.178 0.300 . 1 . . . A 47 GLU CG . 18290 1 440 . 1 1 47 47 GLU N N 15 124.844 0.300 . 1 . . . A 47 GLU N . 18290 1 441 . 1 1 48 48 GLU H H 1 9.292 0.020 . 1 . . . A 48 GLU H . 18290 1 442 . 1 1 48 48 GLU HA H 1 4.073 0.020 . 1 . . . A 48 GLU HA . 18290 1 443 . 1 1 48 48 GLU HB2 H 1 2.122 0.020 . 2 . . . A 48 GLU HB2 . 18290 1 444 . 1 1 48 48 GLU HB3 H 1 2.087 0.020 . 2 . . . A 48 GLU HB3 . 18290 1 445 . 1 1 48 48 GLU HG2 H 1 2.469 0.020 . 2 . . . A 48 GLU HG2 . 18290 1 446 . 1 1 48 48 GLU HG3 H 1 2.339 0.020 . 2 . . . A 48 GLU HG3 . 18290 1 447 . 1 1 48 48 GLU C C 13 179.364 0.300 . 1 . . . A 48 GLU C . 18290 1 448 . 1 1 48 48 GLU CA C 13 59.993 0.300 . 1 . . . A 48 GLU CA . 18290 1 449 . 1 1 48 48 GLU CB C 13 28.741 0.300 . 1 . . . A 48 GLU CB . 18290 1 450 . 1 1 48 48 GLU CG C 13 36.498 0.300 . 1 . . . A 48 GLU CG . 18290 1 451 . 1 1 48 48 GLU N N 15 116.377 0.300 . 1 . . . A 48 GLU N . 18290 1 452 . 1 1 49 49 PHE H H 1 8.228 0.020 . 1 . . . A 49 PHE H . 18290 1 453 . 1 1 49 49 PHE HA H 1 4.372 0.020 . 1 . . . A 49 PHE HA . 18290 1 454 . 1 1 49 49 PHE HB2 H 1 3.456 0.020 . 2 . . . A 49 PHE HB2 . 18290 1 455 . 1 1 49 49 PHE HB3 H 1 2.964 0.020 . 2 . . . A 49 PHE HB3 . 18290 1 456 . 1 1 49 49 PHE HD1 H 1 7.311 0.020 . 1 . . . A 49 PHE HD1 . 18290 1 457 . 1 1 49 49 PHE HD2 H 1 7.311 0.020 . 1 . . . A 49 PHE HD2 . 18290 1 458 . 1 1 49 49 PHE C C 13 177.606 0.300 . 1 . . . A 49 PHE C . 18290 1 459 . 1 1 49 49 PHE CA C 13 61.243 0.300 . 1 . . . A 49 PHE CA . 18290 1 460 . 1 1 49 49 PHE CB C 13 39.601 0.300 . 1 . . . A 49 PHE CB . 18290 1 461 . 1 1 49 49 PHE CD2 C 13 131.816 0.300 . 1 . . . A 49 PHE CD2 . 18290 1 462 . 1 1 49 49 PHE N N 15 119.915 0.300 . 1 . . . A 49 PHE N . 18290 1 463 . 1 1 50 50 LEU H H 1 8.588 0.020 . 1 . . . A 50 LEU H . 18290 1 464 . 1 1 50 50 LEU HA H 1 3.687 0.020 . 1 . . . A 50 LEU HA . 18290 1 465 . 1 1 50 50 LEU HB2 H 1 2.111 0.020 . 2 . . . A 50 LEU HB2 . 18290 1 466 . 1 1 50 50 LEU HB3 H 1 1.461 0.020 . 2 . . . A 50 LEU HB3 . 18290 1 467 . 1 1 50 50 LEU HG H 1 1.896 0.020 . 1 . . . A 50 LEU HG . 18290 1 468 . 1 1 50 50 LEU HD11 H 1 0.762 0.020 . 1 . . . A 50 LEU HD11 . 18290 1 469 . 1 1 50 50 LEU HD12 H 1 0.762 0.020 . 1 . . . A 50 LEU HD12 . 18290 1 470 . 1 1 50 50 LEU HD13 H 1 0.762 0.020 . 1 . . . A 50 LEU HD13 . 18290 1 471 . 1 1 50 50 LEU HD21 H 1 0.606 0.020 . 1 . . . A 50 LEU HD21 . 18290 1 472 . 1 1 50 50 LEU HD22 H 1 0.606 0.020 . 1 . . . A 50 LEU HD22 . 18290 1 473 . 1 1 50 50 LEU HD23 H 1 0.606 0.020 . 1 . . . A 50 LEU HD23 . 18290 1 474 . 1 1 50 50 LEU C C 13 180.100 0.300 . 1 . . . A 50 LEU C . 18290 1 475 . 1 1 50 50 LEU CA C 13 58.430 0.300 . 1 . . . A 50 LEU CA . 18290 1 476 . 1 1 50 50 LEU CB C 13 40.851 0.300 . 1 . . . A 50 LEU CB . 18290 1 477 . 1 1 50 50 LEU CG C 13 27.274 0.300 . 1 . . . A 50 LEU CG . 18290 1 478 . 1 1 50 50 LEU CD1 C 13 24.427 0.300 . 1 . . . A 50 LEU CD1 . 18290 1 479 . 1 1 50 50 LEU CD2 C 13 25.121 0.300 . 1 . . . A 50 LEU CD2 . 18290 1 480 . 1 1 50 50 LEU N N 15 123.184 0.300 . 1 . . . A 50 LEU N . 18290 1 481 . 1 1 51 51 LEU H H 1 8.348 0.020 . 1 . . . A 51 LEU H . 18290 1 482 . 1 1 51 51 LEU HA H 1 3.975 0.020 . 1 . . . A 51 LEU HA . 18290 1 483 . 1 1 51 51 LEU HB2 H 1 1.843 0.020 . 2 . . . A 51 LEU HB2 . 18290 1 484 . 1 1 51 51 LEU HB3 H 1 1.576 0.020 . 2 . . . A 51 LEU HB3 . 18290 1 485 . 1 1 51 51 LEU HG H 1 1.813 0.020 . 1 . . . A 51 LEU HG . 18290 1 486 . 1 1 51 51 LEU HD11 H 1 0.835 0.020 . 1 . . . A 51 LEU HD11 . 18290 1 487 . 1 1 51 51 LEU HD12 H 1 0.835 0.020 . 1 . . . A 51 LEU HD12 . 18290 1 488 . 1 1 51 51 LEU HD13 H 1 0.835 0.020 . 1 . . . A 51 LEU HD13 . 18290 1 489 . 1 1 51 51 LEU HD21 H 1 0.895 0.020 . 1 . . . A 51 LEU HD21 . 18290 1 490 . 1 1 51 51 LEU HD22 H 1 0.895 0.020 . 1 . . . A 51 LEU HD22 . 18290 1 491 . 1 1 51 51 LEU HD23 H 1 0.895 0.020 . 1 . . . A 51 LEU HD23 . 18290 1 492 . 1 1 51 51 LEU C C 13 178.544 0.300 . 1 . . . A 51 LEU C . 18290 1 493 . 1 1 51 51 LEU CA C 13 58.024 0.300 . 1 . . . A 51 LEU CA . 18290 1 494 . 1 1 51 51 LEU CB C 13 41.242 0.300 . 1 . . . A 51 LEU CB . 18290 1 495 . 1 1 51 51 LEU CG C 13 26.685 0.300 . 1 . . . A 51 LEU CG . 18290 1 496 . 1 1 51 51 LEU CD1 C 13 22.490 0.300 . 1 . . . A 51 LEU CD1 . 18290 1 497 . 1 1 51 51 LEU CD2 C 13 25.066 0.300 . 1 . . . A 51 LEU CD2 . 18290 1 498 . 1 1 51 51 LEU N N 15 121.035 0.300 . 1 . . . A 51 LEU N . 18290 1 499 . 1 1 52 52 PHE H H 1 7.996 0.020 . 1 . . . A 52 PHE H . 18290 1 500 . 1 1 52 52 PHE HA H 1 4.243 0.020 . 1 . . . A 52 PHE HA . 18290 1 501 . 1 1 52 52 PHE HB2 H 1 3.323 0.020 . 2 . . . A 52 PHE HB2 . 18290 1 502 . 1 1 52 52 PHE HB3 H 1 3.098 0.020 . 2 . . . A 52 PHE HB3 . 18290 1 503 . 1 1 52 52 PHE HD1 H 1 7.085 0.020 . 1 . . . A 52 PHE HD1 . 18290 1 504 . 1 1 52 52 PHE HD2 H 1 7.085 0.020 . 1 . . . A 52 PHE HD2 . 18290 1 505 . 1 1 52 52 PHE C C 13 179.024 0.300 . 1 . . . A 52 PHE C . 18290 1 506 . 1 1 52 52 PHE CA C 13 61.488 0.300 . 1 . . . A 52 PHE CA . 18290 1 507 . 1 1 52 52 PHE CB C 13 39.367 0.300 . 1 . . . A 52 PHE CB . 18290 1 508 . 1 1 52 52 PHE CD1 C 13 131.387 0.300 . 1 . . . A 52 PHE CD1 . 18290 1 509 . 1 1 52 52 PHE N N 15 120.893 0.300 . 1 . . . A 52 PHE N . 18290 1 510 . 1 1 53 53 SER H H 1 8.981 0.020 . 1 . . . A 53 SER H . 18290 1 511 . 1 1 53 53 SER HA H 1 4.308 0.020 . 1 . . . A 53 SER HA . 18290 1 512 . 1 1 53 53 SER C C 13 177.489 0.300 . 1 . . . A 53 SER C . 18290 1 513 . 1 1 53 53 SER CA C 13 61.556 0.300 . 1 . . . A 53 SER CA . 18290 1 514 . 1 1 53 53 SER N N 15 117.407 0.300 . 1 . . . A 53 SER N . 18290 1 515 . 1 1 54 54 ARG H H 1 7.614 0.020 . 1 . . . A 54 ARG H . 18290 1 516 . 1 1 54 54 ARG HA H 1 3.458 0.020 . 1 . . . A 54 ARG HA . 18290 1 517 . 1 1 54 54 ARG HB2 H 1 2.136 0.020 . 2 . . . A 54 ARG HB2 . 18290 1 518 . 1 1 54 54 ARG HB3 H 1 1.967 0.020 . 2 . . . A 54 ARG HB3 . 18290 1 519 . 1 1 54 54 ARG HG2 H 1 1.643 0.020 . 2 . . . A 54 ARG HG2 . 18290 1 520 . 1 1 54 54 ARG HG3 H 1 1.535 0.020 . 2 . . . A 54 ARG HG3 . 18290 1 521 . 1 1 54 54 ARG HD2 H 1 3.193 0.020 . 2 . . . A 54 ARG HD2 . 18290 1 522 . 1 1 54 54 ARG HD3 H 1 3.104 0.020 . 2 . . . A 54 ARG HD3 . 18290 1 523 . 1 1 54 54 ARG C C 13 179.012 0.300 . 1 . . . A 54 ARG C . 18290 1 524 . 1 1 54 54 ARG CA C 13 60.102 0.300 . 1 . . . A 54 ARG CA . 18290 1 525 . 1 1 54 54 ARG CB C 13 29.543 0.300 . 1 . . . A 54 ARG CB . 18290 1 526 . 1 1 54 54 ARG CG C 13 26.085 0.300 . 1 . . . A 54 ARG CG . 18290 1 527 . 1 1 54 54 ARG CD C 13 43.464 0.300 . 1 . . . A 54 ARG CD . 18290 1 528 . 1 1 54 54 ARG N N 15 122.566 0.300 . 1 . . . A 54 ARG N . 18290 1 529 . 1 1 55 55 ASP H H 1 7.867 0.020 . 1 . . . A 55 ASP H . 18290 1 530 . 1 1 55 55 ASP HA H 1 4.372 0.020 . 1 . . . A 55 ASP HA . 18290 1 531 . 1 1 55 55 ASP HB2 H 1 2.590 0.020 . 2 . . . A 55 ASP HB2 . 18290 1 532 . 1 1 55 55 ASP HB3 H 1 2.438 0.020 . 2 . . . A 55 ASP HB3 . 18290 1 533 . 1 1 55 55 ASP C C 13 176.199 0.300 . 1 . . . A 55 ASP C . 18290 1 534 . 1 1 55 55 ASP CA C 13 56.243 0.300 . 1 . . . A 55 ASP CA . 18290 1 535 . 1 1 55 55 ASP CB C 13 39.679 0.300 . 1 . . . A 55 ASP CB . 18290 1 536 . 1 1 55 55 ASP N N 15 119.607 0.300 . 1 . . . A 55 ASP N . 18290 1 537 . 1 1 56 56 ARG H H 1 7.392 0.020 . 1 . . . A 56 ARG H . 18290 1 538 . 1 1 56 56 ARG HA H 1 4.407 0.020 . 1 . . . A 56 ARG HA . 18290 1 539 . 1 1 56 56 ARG HB2 H 1 3.493 0.020 . 2 . . . A 56 ARG HB2 . 18290 1 540 . 1 1 56 56 ARG HB3 H 1 2.247 0.020 . 2 . . . A 56 ARG HB3 . 18290 1 541 . 1 1 56 56 ARG C C 13 174.207 0.300 . 1 . . . A 56 ARG C . 18290 1 542 . 1 1 56 56 ARG CA C 13 55.930 0.300 . 1 . . . A 56 ARG CA . 18290 1 543 . 1 1 56 56 ARG CB C 13 27.179 0.300 . 1 . . . A 56 ARG CB . 18290 1 544 . 1 1 56 56 ARG N N 15 115.824 0.300 . 1 . . . A 56 ARG N . 18290 1 545 . 1 1 57 57 GLY H H 1 7.543 0.020 . 1 . . . A 57 GLY H . 18290 1 546 . 1 1 57 57 GLY HA2 H 1 4.196 0.020 . 2 . . . A 57 GLY HA2 . 18290 1 547 . 1 1 57 57 GLY HA3 H 1 3.774 0.020 . 2 . . . A 57 GLY HA3 . 18290 1 548 . 1 1 57 57 GLY C C 13 173.152 0.300 . 1 . . . A 57 GLY C . 18290 1 549 . 1 1 57 57 GLY CA C 13 46.147 0.300 . 1 . . . A 57 GLY CA . 18290 1 550 . 1 1 57 57 GLY N N 15 106.085 0.300 . 1 . . . A 57 GLY N . 18290 1 551 . 1 1 58 58 ASN H H 1 8.326 0.020 . 1 . . . A 58 ASN H . 18290 1 552 . 1 1 58 58 ASN HA H 1 4.934 0.020 . 1 . . . A 58 ASN HA . 18290 1 553 . 1 1 58 58 ASN HB2 H 1 2.951 0.020 . 2 . . . A 58 ASN HB2 . 18290 1 554 . 1 1 58 58 ASN HB3 H 1 1.971 0.020 . 2 . . . A 58 ASN HB3 . 18290 1 555 . 1 1 58 58 ASN C C 13 172.870 0.300 . 1 . . . A 58 ASN C . 18290 1 556 . 1 1 58 58 ASN CA C 13 50.618 0.300 . 1 . . . A 58 ASN CA . 18290 1 557 . 1 1 58 58 ASN CB C 13 37.846 0.300 . 1 . . . A 58 ASN CB . 18290 1 558 . 1 1 58 58 ASN N N 15 120.494 0.300 . 1 . . . A 58 ASN N . 18290 1 559 . 1 1 59 59 ASP H H 1 8.605 0.020 . 1 . . . A 59 ASP H . 18290 1 560 . 1 1 59 59 ASP HA H 1 4.231 0.020 . 1 . . . A 59 ASP HA . 18290 1 561 . 1 1 59 59 ASP HB2 H 1 2.992 0.020 . 2 . . . A 59 ASP HB2 . 18290 1 562 . 1 1 59 59 ASP HB3 H 1 2.644 0.020 . 2 . . . A 59 ASP HB3 . 18290 1 563 . 1 1 59 59 ASP C C 13 176.181 0.300 . 1 . . . A 59 ASP C . 18290 1 564 . 1 1 59 59 ASP CA C 13 54.055 0.300 . 1 . . . A 59 ASP CA . 18290 1 565 . 1 1 59 59 ASP CB C 13 39.679 0.300 . 1 . . . A 59 ASP CB . 18290 1 566 . 1 1 59 59 ASP N N 15 121.086 0.300 . 1 . . . A 59 ASP N . 18290 1 567 . 1 1 60 60 LEU H H 1 8.612 0.020 . 1 . . . A 60 LEU H . 18290 1 568 . 1 1 60 60 LEU HA H 1 4.477 0.020 . 1 . . . A 60 LEU HA . 18290 1 569 . 1 1 60 60 LEU HB2 H 1 1.593 0.020 . 2 . . . A 60 LEU HB2 . 18290 1 570 . 1 1 60 60 LEU HB3 H 1 1.542 0.020 . 2 . . . A 60 LEU HB3 . 18290 1 571 . 1 1 60 60 LEU C C 13 176.199 0.300 . 1 . . . A 60 LEU C . 18290 1 572 . 1 1 60 60 LEU CA C 13 54.055 0.300 . 1 . . . A 60 LEU CA . 18290 1 573 . 1 1 60 60 LEU CB C 13 42.808 0.300 . 1 . . . A 60 LEU CB . 18290 1 574 . 1 1 60 60 LEU CG C 13 29.040 0.300 . 1 . . . A 60 LEU CG . 18290 1 575 . 1 1 60 60 LEU N N 15 128.367 0.300 . 1 . . . A 60 LEU N . 18290 1 576 . 1 1 61 61 MET H H 1 8.580 0.020 . 1 . . . A 61 MET H . 18290 1 577 . 1 1 61 61 MET HE1 H 1 2.054 0.020 . 1 . . . A 61 MET HE1 . 18290 1 578 . 1 1 61 61 MET HE2 H 1 2.054 0.020 . 1 . . . A 61 MET HE2 . 18290 1 579 . 1 1 61 61 MET HE3 H 1 2.054 0.020 . 1 . . . A 61 MET HE3 . 18290 1 580 . 1 1 61 61 MET C C 13 177.137 0.300 . 1 . . . A 61 MET C . 18290 1 581 . 1 1 61 61 MET CA C 13 57.805 0.300 . 1 . . . A 61 MET CA . 18290 1 582 . 1 1 61 61 MET CB C 13 35.617 0.300 . 1 . . . A 61 MET CB . 18290 1 583 . 1 1 61 61 MET CE C 13 16.275 0.300 . 1 . . . A 61 MET CE . 18290 1 584 . 1 1 61 61 MET N N 15 118.501 0.300 . 1 . . . A 61 MET N . 18290 1 585 . 1 1 62 62 THR H H 1 8.386 0.020 . 1 . . . A 62 THR H . 18290 1 586 . 1 1 62 62 THR HA H 1 4.269 0.020 . 1 . . . A 62 THR HA . 18290 1 587 . 1 1 62 62 THR HB H 1 3.943 0.020 . 1 . . . A 62 THR HB . 18290 1 588 . 1 1 62 62 THR HG21 H 1 1.296 0.020 . 1 . . . A 62 THR HG21 . 18290 1 589 . 1 1 62 62 THR HG22 H 1 1.296 0.020 . 1 . . . A 62 THR HG22 . 18290 1 590 . 1 1 62 62 THR HG23 H 1 1.296 0.020 . 1 . . . A 62 THR HG23 . 18290 1 591 . 1 1 62 62 THR C C 13 172.571 0.300 . 1 . . . A 62 THR C . 18290 1 592 . 1 1 62 62 THR CA C 13 61.567 0.300 . 1 . . . A 62 THR CA . 18290 1 593 . 1 1 62 62 THR CB C 13 69.073 0.300 . 1 . . . A 62 THR CB . 18290 1 594 . 1 1 62 62 THR CG2 C 13 21.173 0.300 . 1 . . . A 62 THR CG2 . 18290 1 595 . 1 1 62 62 THR N N 15 120.521 0.300 . 1 . . . A 62 THR N . 18290 1 596 . 1 1 63 63 PRO HG2 H 1 2.028 0.020 . 2 . . . A 63 PRO HG2 . 18290 1 597 . 1 1 63 63 PRO HG3 H 1 1.941 0.020 . 2 . . . A 63 PRO HG3 . 18290 1 598 . 1 1 63 63 PRO HD2 H 1 4.189 0.020 . 2 . . . A 63 PRO HD2 . 18290 1 599 . 1 1 63 63 PRO HD3 H 1 3.651 0.020 . 2 . . . A 63 PRO HD3 . 18290 1 600 . 1 1 63 63 PRO CG C 13 27.421 0.300 . 1 . . . A 63 PRO CG . 18290 1 601 . 1 1 63 63 PRO CD C 13 51.118 0.300 . 1 . . . A 63 PRO CD . 18290 1 602 . 1 1 64 64 ARG HA H 1 5.027 0.020 . 1 . . . A 64 ARG HA . 18290 1 603 . 1 1 64 64 ARG HB2 H 1 2.096 0.020 . 2 . . . A 64 ARG HB2 . 18290 1 604 . 1 1 64 64 ARG HB3 H 1 1.728 0.020 . 2 . . . A 64 ARG HB3 . 18290 1 605 . 1 1 64 64 ARG HG2 H 1 1.820 0.020 . 2 . . . A 64 ARG HG2 . 18290 1 606 . 1 1 64 64 ARG HG3 H 1 1.714 0.020 . 2 . . . A 64 ARG HG3 . 18290 1 607 . 1 1 64 64 ARG HD2 H 1 3.270 0.020 . 1 . . . A 64 ARG HD2 . 18290 1 608 . 1 1 64 64 ARG HD3 H 1 3.270 0.020 . 1 . . . A 64 ARG HD3 . 18290 1 609 . 1 1 64 64 ARG CA C 13 51.927 0.300 . 1 . . . A 64 ARG CA . 18290 1 610 . 1 1 64 64 ARG CB C 13 31.615 0.300 . 1 . . . A 64 ARG CB . 18290 1 611 . 1 1 64 64 ARG CG C 13 25.610 0.300 . 1 . . . A 64 ARG CG . 18290 1 612 . 1 1 64 64 ARG CD C 13 42.801 0.300 . 1 . . . A 64 ARG CD . 18290 1 613 . 1 1 65 65 PRO HA H 1 4.358 0.020 . 1 . . . A 65 PRO HA . 18290 1 614 . 1 1 65 65 PRO HB2 H 1 2.386 0.020 . 2 . . . A 65 PRO HB2 . 18290 1 615 . 1 1 65 65 PRO HB3 H 1 2.005 0.020 . 2 . . . A 65 PRO HB3 . 18290 1 616 . 1 1 65 65 PRO HG2 H 1 2.097 0.020 . 2 . . . A 65 PRO HG2 . 18290 1 617 . 1 1 65 65 PRO HG3 H 1 2.019 0.020 . 2 . . . A 65 PRO HG3 . 18290 1 618 . 1 1 65 65 PRO HD2 H 1 3.958 0.020 . 2 . . . A 65 PRO HD2 . 18290 1 619 . 1 1 65 65 PRO HD3 H 1 3.380 0.020 . 2 . . . A 65 PRO HD3 . 18290 1 620 . 1 1 65 65 PRO CA C 13 64.974 0.300 . 1 . . . A 65 PRO CA . 18290 1 621 . 1 1 65 65 PRO CB C 13 31.615 0.300 . 1 . . . A 65 PRO CB . 18290 1 622 . 1 1 65 65 PRO CG C 13 27.126 0.300 . 1 . . . A 65 PRO CG . 18290 1 623 . 1 1 65 65 PRO CD C 13 50.675 0.300 . 1 . . . A 65 PRO CD . 18290 1 624 . 1 1 66 66 GLU H H 1 10.537 0.020 . 1 . . . A 66 GLU H . 18290 1 625 . 1 1 66 66 GLU HA H 1 4.104 0.020 . 1 . . . A 66 GLU HA . 18290 1 626 . 1 1 66 66 GLU HB2 H 1 1.742 0.020 . 2 . . . A 66 GLU HB2 . 18290 1 627 . 1 1 66 66 GLU HB3 H 1 1.704 0.020 . 2 . . . A 66 GLU HB3 . 18290 1 628 . 1 1 66 66 GLU HG2 H 1 1.924 0.020 . 2 . . . A 66 GLU HG2 . 18290 1 629 . 1 1 66 66 GLU HG3 H 1 1.482 0.020 . 2 . . . A 66 GLU HG3 . 18290 1 630 . 1 1 66 66 GLU CA C 13 58.743 0.300 . 1 . . . A 66 GLU CA . 18290 1 631 . 1 1 66 66 GLU CB C 13 27.779 0.300 . 1 . . . A 66 GLU CB . 18290 1 632 . 1 1 66 66 GLU CG C 13 35.112 0.300 . 1 . . . A 66 GLU CG . 18290 1 633 . 1 1 66 66 GLU N N 15 121.228 0.300 . 1 . . . A 66 GLU N . 18290 1 634 . 1 1 67 67 PHE H H 1 7.579 0.020 . 1 . . . A 67 PHE H . 18290 1 635 . 1 1 67 67 PHE HA H 1 5.017 0.020 . 1 . . . A 67 PHE HA . 18290 1 636 . 1 1 67 67 PHE HB2 H 1 2.675 0.020 . 1 . . . A 67 PHE HB2 . 18290 1 637 . 1 1 67 67 PHE HB3 H 1 2.675 0.020 . 1 . . . A 67 PHE HB3 . 18290 1 638 . 1 1 67 67 PHE CA C 13 55.305 0.300 . 1 . . . A 67 PHE CA . 18290 1 639 . 1 1 67 67 PHE CB C 13 39.670 0.300 . 1 . . . A 67 PHE CB . 18290 1 640 . 1 1 67 67 PHE N N 15 117.849 0.300 . 1 . . . A 67 PHE N . 18290 1 641 . 1 1 68 68 ASN H H 1 8.302 0.020 . 1 . . . A 68 ASN H . 18290 1 642 . 1 1 68 68 ASN HA H 1 4.370 0.020 . 1 . . . A 68 ASN HA . 18290 1 643 . 1 1 68 68 ASN HB2 H 1 3.194 0.020 . 2 . . . A 68 ASN HB2 . 18290 1 644 . 1 1 68 68 ASN HB3 H 1 2.802 0.020 . 2 . . . A 68 ASN HB3 . 18290 1 645 . 1 1 68 68 ASN HD21 H 1 7.564 0.020 . 2 . . . A 68 ASN HD21 . 18290 1 646 . 1 1 68 68 ASN HD22 H 1 6.872 0.020 . 2 . . . A 68 ASN HD22 . 18290 1 647 . 1 1 68 68 ASN C C 13 173.738 0.300 . 1 . . . A 68 ASN C . 18290 1 648 . 1 1 68 68 ASN CA C 13 54.101 0.300 . 1 . . . A 68 ASN CA . 18290 1 649 . 1 1 68 68 ASN CB C 13 37.155 0.300 . 1 . . . A 68 ASN CB . 18290 1 650 . 1 1 68 68 ASN N N 15 117.393 0.300 . 1 . . . A 68 ASN N . 18290 1 651 . 1 1 68 68 ASN ND2 N 15 112.028 0.300 . 1 . . . A 68 ASN ND2 . 18290 1 652 . 1 1 69 69 PHE H H 1 7.659 0.020 . 1 . . . A 69 PHE H . 18290 1 653 . 1 1 69 69 PHE HA H 1 5.436 0.020 . 1 . . . A 69 PHE HA . 18290 1 654 . 1 1 69 69 PHE HB2 H 1 3.194 0.020 . 2 . . . A 69 PHE HB2 . 18290 1 655 . 1 1 69 69 PHE HB3 H 1 3.046 0.020 . 2 . . . A 69 PHE HB3 . 18290 1 656 . 1 1 69 69 PHE C C 13 175.662 0.300 . 1 . . . A 69 PHE C . 18290 1 657 . 1 1 69 69 PHE CA C 13 53.573 0.300 . 1 . . . A 69 PHE CA . 18290 1 658 . 1 1 69 69 PHE CB C 13 41.182 0.300 . 1 . . . A 69 PHE CB . 18290 1 659 . 1 1 69 69 PHE N N 15 117.651 0.300 . 1 . . . A 69 PHE N . 18290 1 660 . 1 1 70 70 PRO HA H 1 4.324 0.020 . 1 . . . A 70 PRO HA . 18290 1 661 . 1 1 70 70 PRO HB2 H 1 2.131 0.020 . 2 . . . A 70 PRO HB2 . 18290 1 662 . 1 1 70 70 PRO HB3 H 1 1.922 0.020 . 2 . . . A 70 PRO HB3 . 18290 1 663 . 1 1 70 70 PRO HG2 H 1 1.989 0.020 . 2 . . . A 70 PRO HG2 . 18290 1 664 . 1 1 70 70 PRO HG3 H 1 1.412 0.020 . 2 . . . A 70 PRO HG3 . 18290 1 665 . 1 1 70 70 PRO HD2 H 1 3.937 0.020 . 2 . . . A 70 PRO HD2 . 18290 1 666 . 1 1 70 70 PRO HD3 H 1 3.229 0.020 . 2 . . . A 70 PRO HD3 . 18290 1 667 . 1 1 70 70 PRO CA C 13 63.722 0.300 . 1 . . . A 70 PRO CA . 18290 1 668 . 1 1 70 70 PRO CB C 13 32.523 0.300 . 1 . . . A 70 PRO CB . 18290 1 669 . 1 1 70 70 PRO CG C 13 25.833 0.300 . 1 . . . A 70 PRO CG . 18290 1 670 . 1 1 70 70 PRO CD C 13 51.220 0.300 . 1 . . . A 70 PRO CD . 18290 1 671 . 1 1 72 72 LEU HA H 1 4.618 0.020 . 1 . . . A 72 LEU HA . 18290 1 672 . 1 1 72 72 LEU HB2 H 1 1.537 0.020 . 2 . . . A 72 LEU HB2 . 18290 1 673 . 1 1 72 72 LEU HB3 H 1 1.227 0.020 . 2 . . . A 72 LEU HB3 . 18290 1 674 . 1 1 72 72 LEU HG H 1 0.471 0.020 . 1 . . . A 72 LEU HG . 18290 1 675 . 1 1 72 72 LEU HD11 H 1 0.399 0.020 . 1 . . . A 72 LEU HD11 . 18290 1 676 . 1 1 72 72 LEU HD12 H 1 0.399 0.020 . 1 . . . A 72 LEU HD12 . 18290 1 677 . 1 1 72 72 LEU HD13 H 1 0.399 0.020 . 1 . . . A 72 LEU HD13 . 18290 1 678 . 1 1 72 72 LEU HD21 H 1 0.399 0.020 . 1 . . . A 72 LEU HD21 . 18290 1 679 . 1 1 72 72 LEU HD22 H 1 0.399 0.020 . 1 . . . A 72 LEU HD22 . 18290 1 680 . 1 1 72 72 LEU HD23 H 1 0.399 0.020 . 1 . . . A 72 LEU HD23 . 18290 1 681 . 1 1 72 72 LEU C C 13 175.613 0.300 . 1 . . . A 72 LEU C . 18290 1 682 . 1 1 72 72 LEU CA C 13 53.430 0.300 . 1 . . . A 72 LEU CA . 18290 1 683 . 1 1 72 72 LEU CB C 13 44.788 0.300 . 1 . . . A 72 LEU CB . 18290 1 684 . 1 1 72 72 LEU CG C 13 26.243 0.300 . 1 . . . A 72 LEU CG . 18290 1 685 . 1 1 72 72 LEU CD1 C 13 22.431 0.300 . 1 . . . A 72 LEU CD1 . 18290 1 686 . 1 1 73 73 LYS H H 1 8.759 0.020 . 1 . . . A 73 LYS H . 18290 1 687 . 1 1 73 73 LYS HA H 1 4.432 0.020 . 1 . . . A 73 LYS HA . 18290 1 688 . 1 1 73 73 LYS HB2 H 1 1.688 0.020 . 1 . . . A 73 LYS HB2 . 18290 1 689 . 1 1 73 73 LYS HB3 H 1 1.688 0.020 . 1 . . . A 73 LYS HB3 . 18290 1 690 . 1 1 73 73 LYS HG2 H 1 1.414 0.020 . 2 . . . A 73 LYS HG2 . 18290 1 691 . 1 1 73 73 LYS HG3 H 1 1.207 0.020 . 2 . . . A 73 LYS HG3 . 18290 1 692 . 1 1 73 73 LYS HD2 H 1 1.611 0.020 . 1 . . . A 73 LYS HD2 . 18290 1 693 . 1 1 73 73 LYS HD3 H 1 1.611 0.020 . 1 . . . A 73 LYS HD3 . 18290 1 694 . 1 1 73 73 LYS HE2 H 1 2.982 0.020 . 1 . . . A 73 LYS HE2 . 18290 1 695 . 1 1 73 73 LYS HE3 H 1 2.982 0.020 . 1 . . . A 73 LYS HE3 . 18290 1 696 . 1 1 73 73 LYS C C 13 175.613 0.300 . 1 . . . A 73 LYS C . 18290 1 697 . 1 1 73 73 LYS CA C 13 53.091 0.300 . 1 . . . A 73 LYS CA . 18290 1 698 . 1 1 73 73 LYS CB C 13 35.861 0.300 . 1 . . . A 73 LYS CB . 18290 1 699 . 1 1 73 73 LYS CG C 13 23.447 0.300 . 1 . . . A 73 LYS CG . 18290 1 700 . 1 1 73 73 LYS CD C 13 28.784 0.300 . 1 . . . A 73 LYS CD . 18290 1 701 . 1 1 73 73 LYS CE C 13 42.204 0.300 . 1 . . . A 73 LYS CE . 18290 1 702 . 1 1 73 73 LYS N N 15 118.694 0.300 . 1 . . . A 73 LYS N . 18290 1 703 . 1 1 74 74 ALA H H 1 8.696 0.020 . 1 . . . A 74 ALA H . 18290 1 704 . 1 1 74 74 ALA HA H 1 3.553 0.020 . 1 . . . A 74 ALA HA . 18290 1 705 . 1 1 74 74 ALA HB1 H 1 1.388 0.020 . 1 . . . A 74 ALA HB1 . 18290 1 706 . 1 1 74 74 ALA HB2 H 1 1.388 0.020 . 1 . . . A 74 ALA HB2 . 18290 1 707 . 1 1 74 74 ALA HB3 H 1 1.388 0.020 . 1 . . . A 74 ALA HB3 . 18290 1 708 . 1 1 74 74 ALA C C 13 178.192 0.300 . 1 . . . A 74 ALA C . 18290 1 709 . 1 1 74 74 ALA CA C 13 53.539 0.300 . 1 . . . A 74 ALA CA . 18290 1 710 . 1 1 74 74 ALA CB C 13 17.688 0.300 . 1 . . . A 74 ALA CB . 18290 1 711 . 1 1 74 74 ALA N N 15 122.013 0.300 . 1 . . . A 74 ALA N . 18290 1 712 . 1 1 75 75 GLY H H 1 8.628 0.020 . 1 . . . A 75 GLY H . 18290 1 713 . 1 1 75 75 GLY HA2 H 1 4.547 0.020 . 2 . . . A 75 GLY HA2 . 18290 1 714 . 1 1 75 75 GLY HA3 H 1 3.588 0.020 . 2 . . . A 75 GLY HA3 . 18290 1 715 . 1 1 75 75 GLY C C 13 174.676 0.300 . 1 . . . A 75 GLY C . 18290 1 716 . 1 1 75 75 GLY CA C 13 44.857 0.300 . 1 . . . A 75 GLY CA . 18290 1 717 . 1 1 75 75 GLY N N 15 111.462 0.300 . 1 . . . A 75 GLY N . 18290 1 718 . 1 1 76 76 ASP H H 1 8.047 0.020 . 1 . . . A 76 ASP H . 18290 1 719 . 1 1 76 76 ASP HA H 1 4.864 0.020 . 1 . . . A 76 ASP HA . 18290 1 720 . 1 1 76 76 ASP HB2 H 1 2.893 0.020 . 2 . . . A 76 ASP HB2 . 18290 1 721 . 1 1 76 76 ASP HB3 H 1 2.694 0.020 . 2 . . . A 76 ASP HB3 . 18290 1 722 . 1 1 76 76 ASP C C 13 175.905 0.300 . 1 . . . A 76 ASP C . 18290 1 723 . 1 1 76 76 ASP CA C 13 55.305 0.300 . 1 . . . A 76 ASP CA . 18290 1 724 . 1 1 76 76 ASP CB C 13 41.867 0.300 . 1 . . . A 76 ASP CB . 18290 1 725 . 1 1 76 76 ASP N N 15 120.945 0.300 . 1 . . . A 76 ASP N . 18290 1 726 . 1 1 77 77 ARG H H 1 7.388 0.020 . 1 . . . A 77 ARG H . 18290 1 727 . 1 1 77 77 ARG HA H 1 5.820 0.020 . 1 . . . A 77 ARG HA . 18290 1 728 . 1 1 77 77 ARG HB2 H 1 1.810 0.020 . 1 . . . A 77 ARG HB2 . 18290 1 729 . 1 1 77 77 ARG HB3 H 1 1.810 0.020 . 1 . . . A 77 ARG HB3 . 18290 1 730 . 1 1 77 77 ARG HG2 H 1 2.169 0.020 . 1 . . . A 77 ARG HG2 . 18290 1 731 . 1 1 77 77 ARG HG3 H 1 2.169 0.020 . 1 . . . A 77 ARG HG3 . 18290 1 732 . 1 1 77 77 ARG C C 13 173.640 0.300 . 1 . . . A 77 ARG C . 18290 1 733 . 1 1 77 77 ARG CA C 13 54.929 0.300 . 1 . . . A 77 ARG CA . 18290 1 734 . 1 1 77 77 ARG CB C 13 32.966 0.300 . 1 . . . A 77 ARG CB . 18290 1 735 . 1 1 77 77 ARG CG C 13 27.494 0.300 . 1 . . . A 77 ARG CG . 18290 1 736 . 1 1 77 77 ARG N N 15 120.649 0.300 . 1 . . . A 77 ARG N . 18290 1 737 . 1 1 78 78 TRP H H 1 8.777 0.020 . 1 . . . A 78 TRP H . 18290 1 738 . 1 1 78 78 TRP HA H 1 4.808 0.020 . 1 . . . A 78 TRP HA . 18290 1 739 . 1 1 78 78 TRP HB2 H 1 3.335 0.020 . 2 . . . A 78 TRP HB2 . 18290 1 740 . 1 1 78 78 TRP HB3 H 1 2.856 0.020 . 2 . . . A 78 TRP HB3 . 18290 1 741 . 1 1 78 78 TRP HD1 H 1 6.994 0.020 . 1 . . . A 78 TRP HD1 . 18290 1 742 . 1 1 78 78 TRP HE1 H 1 10.767 0.020 . 1 . . . A 78 TRP HE1 . 18290 1 743 . 1 1 78 78 TRP HZ2 H 1 7.732 0.020 . 1 . . . A 78 TRP HZ2 . 18290 1 744 . 1 1 78 78 TRP CA C 13 55.930 0.300 . 1 . . . A 78 TRP CA . 18290 1 745 . 1 1 78 78 TRP CB C 13 36.067 0.300 . 1 . . . A 78 TRP CB . 18290 1 746 . 1 1 78 78 TRP CD1 C 13 128.150 0.300 . 1 . . . A 78 TRP CD1 . 18290 1 747 . 1 1 78 78 TRP CZ2 C 13 115.278 0.300 . 1 . . . A 78 TRP CZ2 . 18290 1 748 . 1 1 78 78 TRP CH2 C 13 124.729 0.300 . 1 . . . A 78 TRP CH2 . 18290 1 749 . 1 1 78 78 TRP N N 15 116.853 0.300 . 1 . . . A 78 TRP N . 18290 1 750 . 1 1 78 78 TRP NE1 N 15 130.959 0.300 . 1 . . . A 78 TRP NE1 . 18290 1 751 . 1 1 80 80 LEU H H 1 9.512 0.020 . 1 . . . A 80 LEU H . 18290 1 752 . 1 1 80 80 LEU HA H 1 4.728 0.020 . 1 . . . A 80 LEU HA . 18290 1 753 . 1 1 80 80 LEU HB2 H 1 1.673 0.020 . 2 . . . A 80 LEU HB2 . 18290 1 754 . 1 1 80 80 LEU HB3 H 1 1.770 0.020 . 2 . . . A 80 LEU HB3 . 18290 1 755 . 1 1 80 80 LEU HG H 1 2.095 0.020 . 1 . . . A 80 LEU HG . 18290 1 756 . 1 1 80 80 LEU HD11 H 1 0.885 0.020 . 2 . . . A 80 LEU HD11 . 18290 1 757 . 1 1 80 80 LEU HD12 H 1 0.885 0.020 . 2 . . . A 80 LEU HD12 . 18290 1 758 . 1 1 80 80 LEU HD13 H 1 0.885 0.020 . 2 . . . A 80 LEU HD13 . 18290 1 759 . 1 1 80 80 LEU HD21 H 1 1.237 0.020 . 2 . . . A 80 LEU HD21 . 18290 1 760 . 1 1 80 80 LEU HD22 H 1 1.237 0.020 . 2 . . . A 80 LEU HD22 . 18290 1 761 . 1 1 80 80 LEU HD23 H 1 1.237 0.020 . 2 . . . A 80 LEU HD23 . 18290 1 762 . 1 1 80 80 LEU C C 13 177.929 0.300 . 1 . . . A 80 LEU C . 18290 1 763 . 1 1 80 80 LEU CA C 13 53.472 0.300 . 1 . . . A 80 LEU CA . 18290 1 764 . 1 1 80 80 LEU CB C 13 45.452 0.300 . 1 . . . A 80 LEU CB . 18290 1 765 . 1 1 80 80 LEU CG C 13 26.468 0.300 . 1 . . . A 80 LEU CG . 18290 1 766 . 1 1 80 80 LEU CD1 C 13 27.771 0.300 . 1 . . . A 80 LEU CD1 . 18290 1 767 . 1 1 80 80 LEU CD2 C 13 24.308 0.300 . 1 . . . A 80 LEU CD2 . 18290 1 768 . 1 1 80 80 LEU N N 15 126.694 0.300 . 1 . . . A 80 LEU N . 18290 1 769 . 1 1 82 82 ALA H H 1 8.704 0.020 . 1 . . . A 82 ALA H . 18290 1 770 . 1 1 82 82 ALA HA H 1 3.950 0.020 . 1 . . . A 82 ALA HA . 18290 1 771 . 1 1 82 82 ALA HB1 H 1 1.497 0.020 . 1 . . . A 82 ALA HB1 . 18290 1 772 . 1 1 82 82 ALA HB2 H 1 1.497 0.020 . 1 . . . A 82 ALA HB2 . 18290 1 773 . 1 1 82 82 ALA HB3 H 1 1.497 0.020 . 1 . . . A 82 ALA HB3 . 18290 1 774 . 1 1 82 82 ALA C C 13 179.603 0.300 . 1 . . . A 82 ALA C . 18290 1 775 . 1 1 82 82 ALA CA C 13 56.243 0.300 . 1 . . . A 82 ALA CA . 18290 1 776 . 1 1 82 82 ALA CB C 13 17.621 0.300 . 1 . . . A 82 ALA CB . 18290 1 777 . 1 1 82 82 ALA N N 15 131.662 0.300 . 1 . . . A 82 ALA N . 18290 1 778 . 1 1 83 83 SER H H 1 9.008 0.020 . 1 . . . A 83 SER H . 18290 1 779 . 1 1 83 83 SER HA H 1 4.192 0.020 . 1 . . . A 83 SER HA . 18290 1 780 . 1 1 83 83 SER HB2 H 1 3.820 0.020 . 2 . . . A 83 SER HB2 . 18290 1 781 . 1 1 83 83 SER HB3 H 1 3.729 0.020 . 2 . . . A 83 SER HB3 . 18290 1 782 . 1 1 83 83 SER C C 13 177.723 0.300 . 1 . . . A 83 SER C . 18290 1 783 . 1 1 83 83 SER CA C 13 60.618 0.300 . 1 . . . A 83 SER CA . 18290 1 784 . 1 1 83 83 SER CB C 13 61.769 0.300 . 1 . . . A 83 SER CB . 18290 1 785 . 1 1 83 83 SER N N 15 110.305 0.300 . 1 . . . A 83 SER N . 18290 1 786 . 1 1 84 84 ARG H H 1 7.204 0.020 . 1 . . . A 84 ARG H . 18290 1 787 . 1 1 84 84 ARG HA H 1 4.372 0.020 . 1 . . . A 84 ARG HA . 18290 1 788 . 1 1 84 84 ARG HB2 H 1 2.163 0.020 . 1 . . . A 84 ARG HB2 . 18290 1 789 . 1 1 84 84 ARG HB3 H 1 2.163 0.020 . 1 . . . A 84 ARG HB3 . 18290 1 790 . 1 1 84 84 ARG C C 13 180.045 0.300 . 1 . . . A 84 ARG C . 18290 1 791 . 1 1 84 84 ARG CA C 13 56.868 0.300 . 1 . . . A 84 ARG CA . 18290 1 792 . 1 1 84 84 ARG CB C 13 29.679 0.300 . 1 . . . A 84 ARG CB . 18290 1 793 . 1 1 84 84 ARG N N 15 121.588 0.300 . 1 . . . A 84 ARG N . 18290 1 794 . 1 1 85 85 TRP H H 1 8.010 0.020 . 1 . . . A 85 TRP H . 18290 1 795 . 1 1 85 85 TRP HA H 1 3.784 0.020 . 1 . . . A 85 TRP HA . 18290 1 796 . 1 1 85 85 TRP HB2 H 1 3.575 0.020 . 1 . . . A 85 TRP HB2 . 18290 1 797 . 1 1 85 85 TRP HB3 H 1 3.575 0.020 . 1 . . . A 85 TRP HB3 . 18290 1 798 . 1 1 85 85 TRP HD1 H 1 6.409 0.020 . 1 . . . A 85 TRP HD1 . 18290 1 799 . 1 1 85 85 TRP HE1 H 1 9.971 0.020 . 1 . . . A 85 TRP HE1 . 18290 1 800 . 1 1 85 85 TRP HZ2 H 1 6.790 0.020 . 1 . . . A 85 TRP HZ2 . 18290 1 801 . 1 1 85 85 TRP HH2 H 1 6.378 0.020 . 1 . . . A 85 TRP HH2 . 18290 1 802 . 1 1 85 85 TRP C C 13 177.254 0.300 . 1 . . . A 85 TRP C . 18290 1 803 . 1 1 85 85 TRP CA C 13 64.301 0.300 . 1 . . . A 85 TRP CA . 18290 1 804 . 1 1 85 85 TRP CB C 13 28.225 0.300 . 1 . . . A 85 TRP CB . 18290 1 805 . 1 1 85 85 TRP CD1 C 13 122.777 0.300 . 1 . . . A 85 TRP CD1 . 18290 1 806 . 1 1 85 85 TRP CZ2 C 13 113.408 0.300 . 1 . . . A 85 TRP CZ2 . 18290 1 807 . 1 1 85 85 TRP CH2 C 13 123.911 0.300 . 1 . . . A 85 TRP CH2 . 18290 1 808 . 1 1 85 85 TRP N N 15 123.042 0.300 . 1 . . . A 85 TRP N . 18290 1 809 . 1 1 85 85 TRP NE1 N 15 128.683 0.300 . 1 . . . A 85 TRP NE1 . 18290 1 810 . 1 1 86 86 GLN H H 1 8.419 0.020 . 1 . . . A 86 GLN H . 18290 1 811 . 1 1 86 86 GLN HA H 1 4.074 0.020 . 1 . . . A 86 GLN HA . 18290 1 812 . 1 1 86 86 GLN HB2 H 1 2.498 0.020 . 2 . . . A 86 GLN HB2 . 18290 1 813 . 1 1 86 86 GLN HB3 H 1 2.123 0.020 . 2 . . . A 86 GLN HB3 . 18290 1 814 . 1 1 86 86 GLN HG2 H 1 2.659 0.020 . 2 . . . A 86 GLN HG2 . 18290 1 815 . 1 1 86 86 GLN HG3 H 1 2.453 0.020 . 2 . . . A 86 GLN HG3 . 18290 1 816 . 1 1 86 86 GLN HE21 H 1 8.019 0.020 . 2 . . . A 86 GLN HE21 . 18290 1 817 . 1 1 86 86 GLN HE22 H 1 6.467 0.020 . 2 . . . A 86 GLN HE22 . 18290 1 818 . 1 1 86 86 GLN C C 13 177.489 0.300 . 1 . . . A 86 GLN C . 18290 1 819 . 1 1 86 86 GLN CA C 13 58.607 0.300 . 1 . . . A 86 GLN CA . 18290 1 820 . 1 1 86 86 GLN CB C 13 27.043 0.300 . 1 . . . A 86 GLN CB . 18290 1 821 . 1 1 86 86 GLN CG C 13 31.650 0.300 . 1 . . . A 86 GLN CG . 18290 1 822 . 1 1 86 86 GLN N N 15 118.685 0.300 . 1 . . . A 86 GLN N . 18290 1 823 . 1 1 86 86 GLN NE2 N 15 108.170 0.300 . 1 . . . A 86 GLN NE2 . 18290 1 824 . 1 1 87 87 GLU H H 1 8.015 0.020 . 1 . . . A 87 GLU H . 18290 1 825 . 1 1 87 87 GLU HA H 1 4.045 0.020 . 1 . . . A 87 GLU HA . 18290 1 826 . 1 1 87 87 GLU HB2 H 1 2.252 0.020 . 1 . . . A 87 GLU HB2 . 18290 1 827 . 1 1 87 87 GLU HB3 H 1 2.252 0.020 . 1 . . . A 87 GLU HB3 . 18290 1 828 . 1 1 87 87 GLU HG2 H 1 2.374 0.020 . 1 . . . A 87 GLU HG2 . 18290 1 829 . 1 1 87 87 GLU HG3 H 1 2.374 0.020 . 1 . . . A 87 GLU HG3 . 18290 1 830 . 1 1 87 87 GLU C C 13 178.661 0.300 . 1 . . . A 87 GLU C . 18290 1 831 . 1 1 87 87 GLU CA C 13 58.743 0.300 . 1 . . . A 87 GLU CA . 18290 1 832 . 1 1 87 87 GLU CB C 13 30.793 0.300 . 1 . . . A 87 GLU CB . 18290 1 833 . 1 1 87 87 GLU CG C 13 36.252 0.300 . 1 . . . A 87 GLU CG . 18290 1 834 . 1 1 87 87 GLU N N 15 118.938 0.300 . 1 . . . A 87 GLU N . 18290 1 835 . 1 1 88 88 ALA H H 1 7.258 0.020 . 1 . . . A 88 ALA H . 18290 1 836 . 1 1 88 88 ALA HA H 1 3.383 0.020 . 1 . . . A 88 ALA HA . 18290 1 837 . 1 1 88 88 ALA HB1 H 1 1.142 0.020 . 1 . . . A 88 ALA HB1 . 18290 1 838 . 1 1 88 88 ALA HB2 H 1 1.142 0.020 . 1 . . . A 88 ALA HB2 . 18290 1 839 . 1 1 88 88 ALA HB3 H 1 1.142 0.020 . 1 . . . A 88 ALA HB3 . 18290 1 840 . 1 1 88 88 ALA C C 13 179.012 0.300 . 1 . . . A 88 ALA C . 18290 1 841 . 1 1 88 88 ALA CA C 13 54.232 0.300 . 1 . . . A 88 ALA CA . 18290 1 842 . 1 1 88 88 ALA CB C 13 17.491 0.300 . 1 . . . A 88 ALA CB . 18290 1 843 . 1 1 88 88 ALA N N 15 120.610 0.300 . 1 . . . A 88 ALA N . 18290 1 844 . 1 1 89 89 PHE H H 1 8.525 0.020 . 1 . . . A 89 PHE H . 18290 1 845 . 1 1 89 89 PHE HA H 1 3.537 0.020 . 1 . . . A 89 PHE HA . 18290 1 846 . 1 1 89 89 PHE HB2 H 1 2.813 0.020 . 1 . . . A 89 PHE HB2 . 18290 1 847 . 1 1 89 89 PHE HB3 H 1 2.813 0.020 . 1 . . . A 89 PHE HB3 . 18290 1 848 . 1 1 89 89 PHE HD1 H 1 6.731 0.020 . 1 . . . A 89 PHE HD1 . 18290 1 849 . 1 1 89 89 PHE HD2 H 1 6.731 0.020 . 1 . . . A 89 PHE HD2 . 18290 1 850 . 1 1 89 89 PHE HE1 H 1 7.386 0.020 . 1 . . . A 89 PHE HE1 . 18290 1 851 . 1 1 89 89 PHE HE2 H 1 7.386 0.020 . 1 . . . A 89 PHE HE2 . 18290 1 852 . 1 1 89 89 PHE C C 13 179.716 0.300 . 1 . . . A 89 PHE C . 18290 1 853 . 1 1 89 89 PHE CA C 13 60.618 0.300 . 1 . . . A 89 PHE CA . 18290 1 854 . 1 1 89 89 PHE CB C 13 37.736 0.300 . 1 . . . A 89 PHE CB . 18290 1 855 . 1 1 89 89 PHE CD1 C 13 131.033 0.300 . 1 . . . A 89 PHE CD1 . 18290 1 856 . 1 1 89 89 PHE CE1 C 13 130.993 0.300 . 1 . . . A 89 PHE CE1 . 18290 1 857 . 1 1 89 89 PHE N N 15 121.743 0.300 . 1 . . . A 89 PHE N . 18290 1 858 . 1 1 90 90 GLU H H 1 8.513 0.020 . 1 . . . A 90 GLU H . 18290 1 859 . 1 1 90 90 GLU HA H 1 3.646 0.020 . 1 . . . A 90 GLU HA . 18290 1 860 . 1 1 90 90 GLU HB2 H 1 2.004 0.020 . 1 . . . A 90 GLU HB2 . 18290 1 861 . 1 1 90 90 GLU HB3 H 1 2.004 0.020 . 1 . . . A 90 GLU HB3 . 18290 1 862 . 1 1 90 90 GLU HG2 H 1 2.748 0.020 . 2 . . . A 90 GLU HG2 . 18290 1 863 . 1 1 90 90 GLU HG3 H 1 2.365 0.020 . 2 . . . A 90 GLU HG3 . 18290 1 864 . 1 1 90 90 GLU C C 13 176.785 0.300 . 1 . . . A 90 GLU C . 18290 1 865 . 1 1 90 90 GLU CA C 13 58.805 0.300 . 1 . . . A 90 GLU CA . 18290 1 866 . 1 1 90 90 GLU CB C 13 28.986 0.300 . 1 . . . A 90 GLU CB . 18290 1 867 . 1 1 90 90 GLU CG C 13 36.988 0.300 . 1 . . . A 90 GLU CG . 18290 1 868 . 1 1 90 90 GLU N N 15 121.009 0.300 . 1 . . . A 90 GLU N . 18290 1 869 . 1 1 91 91 ALA H H 1 6.865 0.020 . 1 . . . A 91 ALA H . 18290 1 870 . 1 1 91 91 ALA HA H 1 4.348 0.020 . 1 . . . A 91 ALA HA . 18290 1 871 . 1 1 91 91 ALA HB1 H 1 1.208 0.020 . 1 . . . A 91 ALA HB1 . 18290 1 872 . 1 1 91 91 ALA HB2 H 1 1.208 0.020 . 1 . . . A 91 ALA HB2 . 18290 1 873 . 1 1 91 91 ALA HB3 H 1 1.208 0.020 . 1 . . . A 91 ALA HB3 . 18290 1 874 . 1 1 91 91 ALA C C 13 177.137 0.300 . 1 . . . A 91 ALA C . 18290 1 875 . 1 1 91 91 ALA CA C 13 51.378 0.300 . 1 . . . A 91 ALA CA . 18290 1 876 . 1 1 91 91 ALA CB C 13 20.345 0.300 . 1 . . . A 91 ALA CB . 18290 1 877 . 1 1 91 91 ALA N N 15 118.655 0.300 . 1 . . . A 91 ALA N . 18290 1 878 . 1 1 92 92 GLY H H 1 7.537 0.020 . 1 . . . A 92 GLY H . 18290 1 879 . 1 1 92 92 GLY HA2 H 1 3.915 0.020 . 2 . . . A 92 GLY HA2 . 18290 1 880 . 1 1 92 92 GLY HA3 H 1 3.691 0.020 . 2 . . . A 92 GLY HA3 . 18290 1 881 . 1 1 92 92 GLY C C 13 175.145 0.300 . 1 . . . A 92 GLY C . 18290 1 882 . 1 1 92 92 GLY CA C 13 45.903 0.300 . 1 . . . A 92 GLY CA . 18290 1 883 . 1 1 92 92 GLY N N 15 107.551 0.300 . 1 . . . A 92 GLY N . 18290 1 884 . 1 1 93 93 MET H H 1 7.720 0.020 . 1 . . . A 93 MET H . 18290 1 885 . 1 1 93 93 MET HA H 1 4.547 0.020 . 1 . . . A 93 MET HA . 18290 1 886 . 1 1 93 93 MET HB2 H 1 1.770 0.020 . 2 . . . A 93 MET HB2 . 18290 1 887 . 1 1 93 93 MET HB3 H 1 0.705 0.020 . 2 . . . A 93 MET HB3 . 18290 1 888 . 1 1 93 93 MET HG2 H 1 2.157 0.020 . 2 . . . A 93 MET HG2 . 18290 1 889 . 1 1 93 93 MET HG3 H 1 1.941 0.020 . 2 . . . A 93 MET HG3 . 18290 1 890 . 1 1 93 93 MET HE1 H 1 2.030 0.020 . 1 . . . A 93 MET HE1 . 18290 1 891 . 1 1 93 93 MET HE2 H 1 2.030 0.020 . 1 . . . A 93 MET HE2 . 18290 1 892 . 1 1 93 93 MET HE3 H 1 2.030 0.020 . 1 . . . A 93 MET HE3 . 18290 1 893 . 1 1 93 93 MET C C 13 175.262 0.300 . 1 . . . A 93 MET C . 18290 1 894 . 1 1 93 93 MET CA C 13 52.805 0.300 . 1 . . . A 93 MET CA . 18290 1 895 . 1 1 93 93 MET CB C 13 33.180 0.300 . 1 . . . A 93 MET CB . 18290 1 896 . 1 1 93 93 MET CG C 13 31.730 0.300 . 1 . . . A 93 MET CG . 18290 1 897 . 1 1 93 93 MET CE C 13 18.132 0.300 . 1 . . . A 93 MET CE . 18290 1 898 . 1 1 93 93 MET N N 15 117.818 0.300 . 1 . . . A 93 MET N . 18290 1 899 . 1 1 94 94 ALA H H 1 7.656 0.020 . 1 . . . A 94 ALA H . 18290 1 900 . 1 1 94 94 ALA HA H 1 3.400 0.020 . 1 . . . A 94 ALA HA . 18290 1 901 . 1 1 94 94 ALA HB1 H 1 0.183 0.020 . 1 . . . A 94 ALA HB1 . 18290 1 902 . 1 1 94 94 ALA HB2 H 1 0.183 0.020 . 1 . . . A 94 ALA HB2 . 18290 1 903 . 1 1 94 94 ALA HB3 H 1 0.183 0.020 . 1 . . . A 94 ALA HB3 . 18290 1 904 . 1 1 94 94 ALA C C 13 175.353 0.300 . 1 . . . A 94 ALA C . 18290 1 905 . 1 1 94 94 ALA CA C 13 50.305 0.300 . 1 . . . A 94 ALA CA . 18290 1 906 . 1 1 94 94 ALA CB C 13 15.733 0.300 . 1 . . . A 94 ALA CB . 18290 1 907 . 1 1 94 94 ALA N N 15 122.450 0.300 . 1 . . . A 94 ALA N . 18290 1 908 . 1 1 96 96 PRO HA H 1 5.107 0.020 . 1 . . . A 96 PRO HA . 18290 1 909 . 1 1 96 96 PRO HB2 H 1 2.370 0.020 . 2 . . . A 96 PRO HB2 . 18290 1 910 . 1 1 96 96 PRO HB3 H 1 1.820 0.020 . 2 . . . A 96 PRO HB3 . 18290 1 911 . 1 1 96 96 PRO HG2 H 1 2.168 0.020 . 2 . . . A 96 PRO HG2 . 18290 1 912 . 1 1 96 96 PRO HG3 H 1 2.089 0.020 . 2 . . . A 96 PRO HG3 . 18290 1 913 . 1 1 96 96 PRO HD2 H 1 4.325 0.020 . 2 . . . A 96 PRO HD2 . 18290 1 914 . 1 1 96 96 PRO HD3 H 1 3.846 0.020 . 2 . . . A 96 PRO HD3 . 18290 1 915 . 1 1 96 96 PRO C C 13 175.965 0.300 . 1 . . . A 96 PRO C . 18290 1 916 . 1 1 96 96 PRO CA C 13 62.521 0.300 . 1 . . . A 96 PRO CA . 18290 1 917 . 1 1 96 96 PRO CB C 13 33.087 0.300 . 1 . . . A 96 PRO CB . 18290 1 918 . 1 1 96 96 PRO CG C 13 27.494 0.300 . 1 . . . A 96 PRO CG . 18290 1 919 . 1 1 96 96 PRO CD C 13 50.308 0.300 . 1 . . . A 96 PRO CD . 18290 1 920 . 1 1 97 97 VAL H H 1 8.232 0.020 . 1 . . . A 97 VAL H . 18290 1 921 . 1 1 97 97 VAL HA H 1 4.838 0.020 . 1 . . . A 97 VAL HA . 18290 1 922 . 1 1 97 97 VAL HB H 1 1.548 0.020 . 1 . . . A 97 VAL HB . 18290 1 923 . 1 1 97 97 VAL HG11 H 1 0.568 0.020 . 1 . . . A 97 VAL HG11 . 18290 1 924 . 1 1 97 97 VAL HG12 H 1 0.568 0.020 . 1 . . . A 97 VAL HG12 . 18290 1 925 . 1 1 97 97 VAL HG13 H 1 0.568 0.020 . 1 . . . A 97 VAL HG13 . 18290 1 926 . 1 1 97 97 VAL HG21 H 1 0.439 0.020 . 1 . . . A 97 VAL HG21 . 18290 1 927 . 1 1 97 97 VAL HG22 H 1 0.439 0.020 . 1 . . . A 97 VAL HG22 . 18290 1 928 . 1 1 97 97 VAL HG23 H 1 0.439 0.020 . 1 . . . A 97 VAL HG23 . 18290 1 929 . 1 1 97 97 VAL C C 13 174.953 0.300 . 1 . . . A 97 VAL C . 18290 1 930 . 1 1 97 97 VAL CA C 13 60.306 0.300 . 1 . . . A 97 VAL CA . 18290 1 931 . 1 1 97 97 VAL CB C 13 35.217 0.300 . 1 . . . A 97 VAL CB . 18290 1 932 . 1 1 97 97 VAL CG1 C 13 21.445 0.300 . 1 . . . A 97 VAL CG1 . 18290 1 933 . 1 1 97 97 VAL CG2 C 13 21.962 0.300 . 1 . . . A 97 VAL CG2 . 18290 1 934 . 1 1 97 97 VAL N N 15 116.185 0.300 . 1 . . . A 97 VAL N . 18290 1 935 . 1 1 98 98 VAL H H 1 8.751 0.020 . 1 . . . A 98 VAL H . 18290 1 936 . 1 1 98 98 VAL HA H 1 4.407 0.020 . 1 . . . A 98 VAL HA . 18290 1 937 . 1 1 98 98 VAL HB H 1 1.765 0.020 . 1 . . . A 98 VAL HB . 18290 1 938 . 1 1 98 98 VAL HG11 H 1 0.901 0.020 . 1 . . . A 98 VAL HG11 . 18290 1 939 . 1 1 98 98 VAL HG12 H 1 0.901 0.020 . 1 . . . A 98 VAL HG12 . 18290 1 940 . 1 1 98 98 VAL HG13 H 1 0.901 0.020 . 1 . . . A 98 VAL HG13 . 18290 1 941 . 1 1 98 98 VAL HG21 H 1 0.762 0.020 . 1 . . . A 98 VAL HG21 . 18290 1 942 . 1 1 98 98 VAL HG22 H 1 0.762 0.020 . 1 . . . A 98 VAL HG22 . 18290 1 943 . 1 1 98 98 VAL HG23 H 1 0.762 0.020 . 1 . . . A 98 VAL HG23 . 18290 1 944 . 1 1 98 98 VAL C C 13 178.831 0.300 . 1 . . . A 98 VAL C . 18290 1 945 . 1 1 98 98 VAL CA C 13 60.306 0.300 . 1 . . . A 98 VAL CA . 18290 1 946 . 1 1 98 98 VAL CB C 13 30.953 0.300 . 1 . . . A 98 VAL CB . 18290 1 947 . 1 1 98 98 VAL CG1 C 13 22.294 0.300 . 1 . . . A 98 VAL CG1 . 18290 1 948 . 1 1 98 98 VAL CG2 C 13 19.939 0.300 . 1 . . . A 98 VAL CG2 . 18290 1 949 . 1 1 98 98 VAL N N 15 125.198 0.300 . 1 . . . A 98 VAL N . 18290 1 950 . 1 1 99 99 LEU H H 1 9.300 0.020 . 1 . . . A 99 LEU H . 18290 1 951 . 1 1 99 99 LEU HA H 1 3.539 0.020 . 1 . . . A 99 LEU HA . 18290 1 952 . 1 1 99 99 LEU HB2 H 1 1.702 0.020 . 2 . . . A 99 LEU HB2 . 18290 1 953 . 1 1 99 99 LEU HB3 H 1 1.254 0.020 . 2 . . . A 99 LEU HB3 . 18290 1 954 . 1 1 99 99 LEU HG H 1 0.847 0.020 . 1 . . . A 99 LEU HG . 18290 1 955 . 1 1 99 99 LEU HD11 H 1 0.577 0.020 . 1 . . . A 99 LEU HD11 . 18290 1 956 . 1 1 99 99 LEU HD12 H 1 0.577 0.020 . 1 . . . A 99 LEU HD12 . 18290 1 957 . 1 1 99 99 LEU HD13 H 1 0.577 0.020 . 1 . . . A 99 LEU HD13 . 18290 1 958 . 1 1 99 99 LEU HD21 H 1 0.577 0.020 . 1 . . . A 99 LEU HD21 . 18290 1 959 . 1 1 99 99 LEU HD22 H 1 0.577 0.020 . 1 . . . A 99 LEU HD22 . 18290 1 960 . 1 1 99 99 LEU HD23 H 1 0.577 0.020 . 1 . . . A 99 LEU HD23 . 18290 1 961 . 1 1 99 99 LEU C C 13 178.895 0.300 . 1 . . . A 99 LEU C . 18290 1 962 . 1 1 99 99 LEU CA C 13 59.056 0.300 . 1 . . . A 99 LEU CA . 18290 1 963 . 1 1 99 99 LEU CB C 13 41.867 0.300 . 1 . . . A 99 LEU CB . 18290 1 964 . 1 1 99 99 LEU CG C 13 26.563 0.300 . 1 . . . A 99 LEU CG . 18290 1 965 . 1 1 99 99 LEU CD1 C 13 23.838 0.300 . 1 . . . A 99 LEU CD1 . 18290 1 966 . 1 1 99 99 LEU N N 15 132.824 0.300 . 1 . . . A 99 LEU N . 18290 1 967 . 1 1 100 100 GLN H H 1 9.512 0.020 . 1 . . . A 100 GLN H . 18290 1 968 . 1 1 100 100 GLN HA H 1 4.161 0.020 . 1 . . . A 100 GLN HA . 18290 1 969 . 1 1 100 100 GLN HB2 H 1 2.016 0.020 . 1 . . . A 100 GLN HB2 . 18290 1 970 . 1 1 100 100 GLN HB3 H 1 2.016 0.020 . 1 . . . A 100 GLN HB3 . 18290 1 971 . 1 1 100 100 GLN HG2 H 1 2.563 0.020 . 2 . . . A 100 GLN HG2 . 18290 1 972 . 1 1 100 100 GLN HG3 H 1 2.437 0.020 . 2 . . . A 100 GLN HG3 . 18290 1 973 . 1 1 100 100 GLN HE21 H 1 7.823 0.020 . 2 . . . A 100 GLN HE21 . 18290 1 974 . 1 1 100 100 GLN HE22 H 1 7.104 0.020 . 2 . . . A 100 GLN HE22 . 18290 1 975 . 1 1 100 100 GLN C C 13 176.434 0.300 . 1 . . . A 100 GLN C . 18290 1 976 . 1 1 100 100 GLN CA C 13 57.619 0.300 . 1 . . . A 100 GLN CA . 18290 1 977 . 1 1 100 100 GLN CB C 13 26.908 0.300 . 1 . . . A 100 GLN CB . 18290 1 978 . 1 1 100 100 GLN CG C 13 33.823 0.300 . 1 . . . A 100 GLN CG . 18290 1 979 . 1 1 100 100 GLN N N 15 113.174 0.300 . 1 . . . A 100 GLN N . 18290 1 980 . 1 1 100 100 GLN NE2 N 15 113.048 0.300 . 1 . . . A 100 GLN NE2 . 18290 1 981 . 1 1 101 101 SER H H 1 7.152 0.020 . 1 . . . A 101 SER H . 18290 1 982 . 1 1 101 101 SER HA H 1 4.934 0.020 . 1 . . . A 101 SER HA . 18290 1 983 . 1 1 101 101 SER HB2 H 1 3.890 0.020 . 2 . . . A 101 SER HB2 . 18290 1 984 . 1 1 101 101 SER HB3 H 1 3.307 0.020 . 2 . . . A 101 SER HB3 . 18290 1 985 . 1 1 101 101 SER C C 13 172.800 0.300 . 1 . . . A 101 SER C . 18290 1 986 . 1 1 101 101 SER CA C 13 57.493 0.300 . 1 . . . A 101 SER CA . 18290 1 987 . 1 1 101 101 SER CB C 13 64.368 0.300 . 1 . . . A 101 SER CB . 18290 1 988 . 1 1 101 101 SER N N 15 114.898 0.300 . 1 . . . A 101 SER N . 18290 1 989 . 1 1 102 102 THR H H 1 7.542 0.020 . 1 . . . A 102 THR H . 18290 1 990 . 1 1 102 102 THR HA H 1 4.723 0.020 . 1 . . . A 102 THR HA . 18290 1 991 . 1 1 102 102 THR HB H 1 4.168 0.020 . 1 . . . A 102 THR HB . 18290 1 992 . 1 1 102 102 THR HG21 H 1 1.221 0.020 . 1 . . . A 102 THR HG21 . 18290 1 993 . 1 1 102 102 THR HG22 H 1 1.221 0.020 . 1 . . . A 102 THR HG22 . 18290 1 994 . 1 1 102 102 THR HG23 H 1 1.221 0.020 . 1 . . . A 102 THR HG23 . 18290 1 995 . 1 1 102 102 THR C C 13 172.870 0.300 . 1 . . . A 102 THR C . 18290 1 996 . 1 1 102 102 THR CA C 13 62.806 0.300 . 1 . . . A 102 THR CA . 18290 1 997 . 1 1 102 102 THR CB C 13 70.306 0.300 . 1 . . . A 102 THR CB . 18290 1 998 . 1 1 102 102 THR CG2 C 13 20.736 0.300 . 1 . . . A 102 THR CG2 . 18290 1 999 . 1 1 102 102 THR N N 15 123.685 0.300 . 1 . . . A 102 THR N . 18290 1 1000 . 1 1 103 103 GLU H H 1 8.896 0.020 . 1 . . . A 103 GLU H . 18290 1 1001 . 1 1 103 103 GLU HA H 1 4.161 0.020 . 1 . . . A 103 GLU HA . 18290 1 1002 . 1 1 103 103 GLU HB2 H 1 2.427 0.020 . 2 . . . A 103 GLU HB2 . 18290 1 1003 . 1 1 103 103 GLU HB3 H 1 1.982 0.020 . 2 . . . A 103 GLU HB3 . 18290 1 1004 . 1 1 103 103 GLU HG2 H 1 2.806 0.020 . 2 . . . A 103 GLU HG2 . 18290 1 1005 . 1 1 103 103 GLU HG3 H 1 2.679 0.020 . 2 . . . A 103 GLU HG3 . 18290 1 1006 . 1 1 103 103 GLU C C 13 177.489 0.300 . 1 . . . A 103 GLU C . 18290 1 1007 . 1 1 103 103 GLU CA C 13 59.056 0.300 . 1 . . . A 103 GLU CA . 18290 1 1008 . 1 1 103 103 GLU CB C 13 30.861 0.300 . 1 . . . A 103 GLU CB . 18290 1 1009 . 1 1 103 103 GLU CG C 13 37.447 0.300 . 1 . . . A 103 GLU CG . 18290 1 1010 . 1 1 103 103 GLU N N 15 133.896 0.300 . 1 . . . A 103 GLU N . 18290 1 1011 . 1 1 104 104 LYS H H 1 8.141 0.020 . 1 . . . A 104 LYS H . 18290 1 1012 . 1 1 104 104 LYS HA H 1 3.704 0.020 . 1 . . . A 104 LYS HA . 18290 1 1013 . 1 1 104 104 LYS HB2 H 1 1.645 0.020 . 1 . . . A 104 LYS HB2 . 18290 1 1014 . 1 1 104 104 LYS HB3 H 1 1.645 0.020 . 1 . . . A 104 LYS HB3 . 18290 1 1015 . 1 1 104 104 LYS HG2 H 1 1.495 0.020 . 2 . . . A 104 LYS HG2 . 18290 1 1016 . 1 1 104 104 LYS HG3 H 1 1.269 0.020 . 2 . . . A 104 LYS HG3 . 18290 1 1017 . 1 1 104 104 LYS HD2 H 1 1.604 0.020 . 1 . . . A 104 LYS HD2 . 18290 1 1018 . 1 1 104 104 LYS HD3 H 1 1.604 0.020 . 1 . . . A 104 LYS HD3 . 18290 1 1019 . 1 1 104 104 LYS HE2 H 1 2.947 0.020 . 1 . . . A 104 LYS HE2 . 18290 1 1020 . 1 1 104 104 LYS HE3 H 1 2.947 0.020 . 1 . . . A 104 LYS HE3 . 18290 1 1021 . 1 1 104 104 LYS C C 13 177.606 0.300 . 1 . . . A 104 LYS C . 18290 1 1022 . 1 1 104 104 LYS CA C 13 59.993 0.300 . 1 . . . A 104 LYS CA . 18290 1 1023 . 1 1 104 104 LYS CB C 13 32.491 0.300 . 1 . . . A 104 LYS CB . 18290 1 1024 . 1 1 104 104 LYS CG C 13 23.838 0.300 . 1 . . . A 104 LYS CG . 18290 1 1025 . 1 1 104 104 LYS CD C 13 29.544 0.300 . 1 . . . A 104 LYS CD . 18290 1 1026 . 1 1 104 104 LYS CE C 13 41.771 0.300 . 1 . . . A 104 LYS CE . 18290 1 1027 . 1 1 104 104 LYS N N 15 120.443 0.300 . 1 . . . A 104 LYS N . 18290 1 1028 . 1 1 105 105 SER H H 1 9.675 0.020 . 1 . . . A 105 SER H . 18290 1 1029 . 1 1 105 105 SER HA H 1 4.490 0.020 . 1 . . . A 105 SER HA . 18290 1 1030 . 1 1 105 105 SER HB2 H 1 4.026 0.020 . 1 . . . A 105 SER HB2 . 18290 1 1031 . 1 1 105 105 SER HB3 H 1 4.026 0.020 . 1 . . . A 105 SER HB3 . 18290 1 1032 . 1 1 105 105 SER C C 13 176.074 0.300 . 1 . . . A 105 SER C . 18290 1 1033 . 1 1 105 105 SER CA C 13 61.556 0.300 . 1 . . . A 105 SER CA . 18290 1 1034 . 1 1 105 105 SER CB C 13 62.806 0.300 . 1 . . . A 105 SER CB . 18290 1 1035 . 1 1 105 105 SER N N 15 118.526 0.300 . 1 . . . A 105 SER N . 18290 1 1036 . 1 1 106 106 ALA H H 1 8.751 0.020 . 1 . . . A 106 ALA H . 18290 1 1037 . 1 1 106 106 ALA HA H 1 4.099 0.020 . 1 . . . A 106 ALA HA . 18290 1 1038 . 1 1 106 106 ALA HB1 H 1 1.199 0.020 . 1 . . . A 106 ALA HB1 . 18290 1 1039 . 1 1 106 106 ALA HB2 H 1 1.199 0.020 . 1 . . . A 106 ALA HB2 . 18290 1 1040 . 1 1 106 106 ALA HB3 H 1 1.199 0.020 . 1 . . . A 106 ALA HB3 . 18290 1 1041 . 1 1 106 106 ALA C C 13 179.989 0.300 . 1 . . . A 106 ALA C . 18290 1 1042 . 1 1 106 106 ALA CA C 13 55.618 0.300 . 1 . . . A 106 ALA CA . 18290 1 1043 . 1 1 106 106 ALA CB C 13 18.116 0.300 . 1 . . . A 106 ALA CB . 18290 1 1044 . 1 1 106 106 ALA N N 15 125.522 0.300 . 1 . . . A 106 ALA N . 18290 1 1045 . 1 1 107 107 LEU H H 1 7.503 0.020 . 1 . . . A 107 LEU H . 18290 1 1046 . 1 1 107 107 LEU HA H 1 4.969 0.020 . 1 . . . A 107 LEU HA . 18290 1 1047 . 1 1 107 107 LEU HB2 H 1 1.814 0.020 . 2 . . . A 107 LEU HB2 . 18290 1 1048 . 1 1 107 107 LEU HB3 H 1 1.728 0.020 . 2 . . . A 107 LEU HB3 . 18290 1 1049 . 1 1 107 107 LEU HG H 1 1.803 0.020 . 1 . . . A 107 LEU HG . 18290 1 1050 . 1 1 107 107 LEU HD11 H 1 1.064 0.020 . 1 . . . A 107 LEU HD11 . 18290 1 1051 . 1 1 107 107 LEU HD12 H 1 1.064 0.020 . 1 . . . A 107 LEU HD12 . 18290 1 1052 . 1 1 107 107 LEU HD13 H 1 1.064 0.020 . 1 . . . A 107 LEU HD13 . 18290 1 1053 . 1 1 107 107 LEU HD21 H 1 0.728 0.020 . 1 . . . A 107 LEU HD21 . 18290 1 1054 . 1 1 107 107 LEU HD22 H 1 0.728 0.020 . 1 . . . A 107 LEU HD22 . 18290 1 1055 . 1 1 107 107 LEU HD23 H 1 0.728 0.020 . 1 . . . A 107 LEU HD23 . 18290 1 1056 . 1 1 107 107 LEU C C 13 177.723 0.300 . 1 . . . A 107 LEU C . 18290 1 1057 . 1 1 107 107 LEU CA C 13 55.300 0.300 . 1 . . . A 107 LEU CA . 18290 1 1058 . 1 1 107 107 LEU CB C 13 39.584 0.300 . 1 . . . A 107 LEU CB . 18290 1 1059 . 1 1 107 107 LEU CG C 13 27.053 0.300 . 1 . . . A 107 LEU CG . 18290 1 1060 . 1 1 107 107 LEU CD1 C 13 25.139 0.300 . 1 . . . A 107 LEU CD1 . 18290 1 1061 . 1 1 107 107 LEU CD2 C 13 22.186 0.300 . 1 . . . A 107 LEU CD2 . 18290 1 1062 . 1 1 107 107 LEU N N 15 112.213 0.300 . 1 . . . A 107 LEU N . 18290 1 1063 . 1 1 108 108 ARG H H 1 7.589 0.020 . 1 . . . A 108 ARG H . 18290 1 1064 . 1 1 108 108 ARG HA H 1 3.962 0.020 . 1 . . . A 108 ARG HA . 18290 1 1065 . 1 1 108 108 ARG HB2 H 1 1.466 0.020 . 2 . . . A 108 ARG HB2 . 18290 1 1066 . 1 1 108 108 ARG HB3 H 1 1.295 0.020 . 2 . . . A 108 ARG HB3 . 18290 1 1067 . 1 1 108 108 ARG HG2 H 1 1.520 0.020 . 2 . . . A 108 ARG HG2 . 18290 1 1068 . 1 1 108 108 ARG HG3 H 1 1.285 0.020 . 2 . . . A 108 ARG HG3 . 18290 1 1069 . 1 1 108 108 ARG HD2 H 1 3.086 0.020 . 2 . . . A 108 ARG HD2 . 18290 1 1070 . 1 1 108 108 ARG HD3 H 1 3.043 0.020 . 2 . . . A 108 ARG HD3 . 18290 1 1071 . 1 1 108 108 ARG C C 13 176.785 0.300 . 1 . . . A 108 ARG C . 18290 1 1072 . 1 1 108 108 ARG CA C 13 57.738 0.300 . 1 . . . A 108 ARG CA . 18290 1 1073 . 1 1 108 108 ARG CB C 13 29.924 0.300 . 1 . . . A 108 ARG CB . 18290 1 1074 . 1 1 108 108 ARG CG C 13 27.274 0.300 . 1 . . . A 108 ARG CG . 18290 1 1075 . 1 1 108 108 ARG CD C 13 43.435 0.300 . 1 . . . A 108 ARG CD . 18290 1 1076 . 1 1 108 108 ARG N N 15 117.913 0.300 . 1 . . . A 108 ARG N . 18290 1 1077 . 1 1 109 109 TYR H H 1 7.998 0.020 . 1 . . . A 109 TYR H . 18290 1 1078 . 1 1 109 109 TYR HA H 1 4.477 0.020 . 1 . . . A 109 TYR HA . 18290 1 1079 . 1 1 109 109 TYR HB2 H 1 3.114 0.020 . 2 . . . A 109 TYR HB2 . 18290 1 1080 . 1 1 109 109 TYR HB3 H 1 2.719 0.020 . 2 . . . A 109 TYR HB3 . 18290 1 1081 . 1 1 109 109 TYR HD1 H 1 7.136 0.020 . 1 . . . A 109 TYR HD1 . 18290 1 1082 . 1 1 109 109 TYR HD2 H 1 7.136 0.020 . 1 . . . A 109 TYR HD2 . 18290 1 1083 . 1 1 109 109 TYR HE1 H 1 6.851 0.020 . 1 . . . A 109 TYR HE1 . 18290 1 1084 . 1 1 109 109 TYR HE2 H 1 6.851 0.020 . 1 . . . A 109 TYR HE2 . 18290 1 1085 . 1 1 109 109 TYR C C 13 174.793 0.300 . 1 . . . A 109 TYR C . 18290 1 1086 . 1 1 109 109 TYR CA C 13 58.743 0.300 . 1 . . . A 109 TYR CA . 18290 1 1087 . 1 1 109 109 TYR CB C 13 41.867 0.300 . 1 . . . A 109 TYR CB . 18290 1 1088 . 1 1 109 109 TYR CD1 C 13 133.554 0.300 . 1 . . . A 109 TYR CD1 . 18290 1 1089 . 1 1 109 109 TYR CE1 C 13 118.328 0.300 . 1 . . . A 109 TYR CE1 . 18290 1 1090 . 1 1 109 109 TYR N N 15 114.886 0.300 . 1 . . . A 109 TYR N . 18290 1 1091 . 1 1 110 110 VAL H H 1 7.716 0.020 . 1 . . . A 110 VAL H . 18290 1 1092 . 1 1 110 110 VAL HA H 1 4.547 0.020 . 1 . . . A 110 VAL HA . 18290 1 1093 . 1 1 110 110 VAL HB H 1 2.060 0.020 . 1 . . . A 110 VAL HB . 18290 1 1094 . 1 1 110 110 VAL HG11 H 1 1.155 0.020 . 1 . . . A 110 VAL HG11 . 18290 1 1095 . 1 1 110 110 VAL HG12 H 1 1.155 0.020 . 1 . . . A 110 VAL HG12 . 18290 1 1096 . 1 1 110 110 VAL HG13 H 1 1.155 0.020 . 1 . . . A 110 VAL HG13 . 18290 1 1097 . 1 1 110 110 VAL HG21 H 1 0.674 0.020 . 1 . . . A 110 VAL HG21 . 18290 1 1098 . 1 1 110 110 VAL HG22 H 1 0.674 0.020 . 1 . . . A 110 VAL HG22 . 18290 1 1099 . 1 1 110 110 VAL HG23 H 1 0.674 0.020 . 1 . . . A 110 VAL HG23 . 18290 1 1100 . 1 1 110 110 VAL C C 13 173.621 0.300 . 1 . . . A 110 VAL C . 18290 1 1101 . 1 1 110 110 VAL CA C 13 58.430 0.300 . 1 . . . A 110 VAL CA . 18290 1 1102 . 1 1 110 110 VAL CB C 13 35.304 0.300 . 1 . . . A 110 VAL CB . 18290 1 1103 . 1 1 110 110 VAL CG1 C 13 22.932 0.300 . 1 . . . A 110 VAL CG1 . 18290 1 1104 . 1 1 110 110 VAL CG2 C 13 19.546 0.300 . 1 . . . A 110 VAL CG2 . 18290 1 1105 . 1 1 110 110 VAL N N 15 113.946 0.300 . 1 . . . A 110 VAL N . 18290 1 1106 . 1 1 111 111 SER H H 1 9.108 0.020 . 1 . . . A 111 SER H . 18290 1 1107 . 1 1 111 111 SER HA H 1 4.618 0.020 . 1 . . . A 111 SER HA . 18290 1 1108 . 1 1 111 111 SER HB2 H 1 4.004 0.020 . 2 . . . A 111 SER HB2 . 18290 1 1109 . 1 1 111 111 SER HB3 H 1 3.908 0.020 . 2 . . . A 111 SER HB3 . 18290 1 1110 . 1 1 111 111 SER C C 13 176.082 0.300 . 1 . . . A 111 SER C . 18290 1 1111 . 1 1 111 111 SER CA C 13 56.243 0.300 . 1 . . . A 111 SER CA . 18290 1 1112 . 1 1 111 111 SER CB C 13 64.368 0.300 . 1 . . . A 111 SER CB . 18290 1 1113 . 1 1 111 111 SER N N 15 115.863 0.300 . 1 . . . A 111 SER N . 18290 1 1114 . 1 1 112 112 LEU H H 1 9.094 0.020 . 1 . . . A 112 LEU H . 18290 1 1115 . 1 1 112 112 LEU HA H 1 3.774 0.020 . 1 . . . A 112 LEU HA . 18290 1 1116 . 1 1 112 112 LEU HB2 H 1 1.504 0.020 . 2 . . . A 112 LEU HB2 . 18290 1 1117 . 1 1 112 112 LEU HB3 H 1 1.795 0.020 . 2 . . . A 112 LEU HB3 . 18290 1 1118 . 1 1 112 112 LEU HG H 1 1.467 0.020 . 1 . . . A 112 LEU HG . 18290 1 1119 . 1 1 112 112 LEU HD11 H 1 0.876 0.020 . 1 . . . A 112 LEU HD11 . 18290 1 1120 . 1 1 112 112 LEU HD12 H 1 0.876 0.020 . 1 . . . A 112 LEU HD12 . 18290 1 1121 . 1 1 112 112 LEU HD13 H 1 0.876 0.020 . 1 . . . A 112 LEU HD13 . 18290 1 1122 . 1 1 112 112 LEU HD21 H 1 0.813 0.020 . 1 . . . A 112 LEU HD21 . 18290 1 1123 . 1 1 112 112 LEU HD22 H 1 0.813 0.020 . 1 . . . A 112 LEU HD22 . 18290 1 1124 . 1 1 112 112 LEU HD23 H 1 0.813 0.020 . 1 . . . A 112 LEU HD23 . 18290 1 1125 . 1 1 112 112 LEU C C 13 177.723 0.300 . 1 . . . A 112 LEU C . 18290 1 1126 . 1 1 112 112 LEU CA C 13 57.805 0.300 . 1 . . . A 112 LEU CA . 18290 1 1127 . 1 1 112 112 LEU CB C 13 40.903 0.300 . 1 . . . A 112 LEU CB . 18290 1 1128 . 1 1 112 112 LEU CG C 13 26.611 0.300 . 1 . . . A 112 LEU CG . 18290 1 1129 . 1 1 112 112 LEU CD1 C 13 25.515 0.300 . 1 . . . A 112 LEU CD1 . 18290 1 1130 . 1 1 112 112 LEU CD2 C 13 22.732 0.300 . 1 . . . A 112 LEU CD2 . 18290 1 1131 . 1 1 112 112 LEU N N 15 127.735 0.300 . 1 . . . A 112 LEU N . 18290 1 1132 . 1 1 113 113 ALA H H 1 8.159 0.020 . 1 . . . A 113 ALA H . 18290 1 1133 . 1 1 113 113 ALA HA H 1 4.196 0.020 . 1 . . . A 113 ALA HA . 18290 1 1134 . 1 1 113 113 ALA HB1 H 1 1.373 0.020 . 1 . . . A 113 ALA HB1 . 18290 1 1135 . 1 1 113 113 ALA HB2 H 1 1.373 0.020 . 1 . . . A 113 ALA HB2 . 18290 1 1136 . 1 1 113 113 ALA HB3 H 1 1.373 0.020 . 1 . . . A 113 ALA HB3 . 18290 1 1137 . 1 1 113 113 ALA C C 13 180.597 0.300 . 1 . . . A 113 ALA C . 18290 1 1138 . 1 1 113 113 ALA CA C 13 54.680 0.300 . 1 . . . A 113 ALA CA . 18290 1 1139 . 1 1 113 113 ALA CB C 13 18.116 0.300 . 1 . . . A 113 ALA CB . 18290 1 1140 . 1 1 113 113 ALA N N 15 118.397 0.300 . 1 . . . A 113 ALA N . 18290 1 1141 . 1 1 114 114 ASP H H 1 7.204 0.020 . 1 . . . A 114 ASP H . 18290 1 1142 . 1 1 114 114 ASP HA H 1 4.547 0.020 . 1 . . . A 114 ASP HA . 18290 1 1143 . 1 1 114 114 ASP HB2 H 1 2.67 0.020 . 2 . . . A 114 ASP HB2 . 18290 1 1144 . 1 1 114 114 ASP HB3 H 1 2.67 0.020 . 2 . . . A 114 ASP HB3 . 18290 1 1145 . 1 1 114 114 ASP C C 13 178.192 0.300 . 1 . . . A 114 ASP C . 18290 1 1146 . 1 1 114 114 ASP CA C 13 57.180 0.300 . 1 . . . A 114 ASP CA . 18290 1 1147 . 1 1 114 114 ASP CB C 13 39.679 0.300 . 1 . . . A 114 ASP CB . 18290 1 1148 . 1 1 114 114 ASP N N 15 119.144 0.300 . 1 . . . A 114 ASP N . 18290 1 1149 . 1 1 115 115 LEU H H 1 7.416 0.020 . 1 . . . A 115 LEU H . 18290 1 1150 . 1 1 115 115 LEU HA H 1 3.633 0.020 . 1 . . . A 115 LEU HA . 18290 1 1151 . 1 1 115 115 LEU HB2 H 1 1.842 0.020 . 2 . . . A 115 LEU HB2 . 18290 1 1152 . 1 1 115 115 LEU HB3 H 1 0.865 0.020 . 2 . . . A 115 LEU HB3 . 18290 1 1153 . 1 1 115 115 LEU HG H 1 1.335 0.020 . 1 . . . A 115 LEU HG . 18290 1 1154 . 1 1 115 115 LEU HD11 H 1 0.409 0.020 . 1 . . . A 115 LEU HD11 . 18290 1 1155 . 1 1 115 115 LEU HD12 H 1 0.409 0.020 . 1 . . . A 115 LEU HD12 . 18290 1 1156 . 1 1 115 115 LEU HD13 H 1 0.409 0.020 . 1 . . . A 115 LEU HD13 . 18290 1 1157 . 1 1 115 115 LEU HD21 H 1 -0.483 0.020 . 1 . . . A 115 LEU HD21 . 18290 1 1158 . 1 1 115 115 LEU HD22 H 1 -0.483 0.020 . 1 . . . A 115 LEU HD22 . 18290 1 1159 . 1 1 115 115 LEU HD23 H 1 -0.483 0.020 . 1 . . . A 115 LEU HD23 . 18290 1 1160 . 1 1 115 115 LEU C C 13 179.950 0.300 . 1 . . . A 115 LEU C . 18290 1 1161 . 1 1 115 115 LEU CA C 13 57.805 0.300 . 1 . . . A 115 LEU CA . 18290 1 1162 . 1 1 115 115 LEU CB C 13 41.981 0.300 . 1 . . . A 115 LEU CB . 18290 1 1163 . 1 1 115 115 LEU CG C 13 25.360 0.300 . 1 . . . A 115 LEU CG . 18290 1 1164 . 1 1 115 115 LEU CD1 C 13 26.856 0.300 . 1 . . . A 115 LEU CD1 . 18290 1 1165 . 1 1 115 115 LEU CD2 C 13 21.195 0.300 . 1 . . . A 115 LEU CD2 . 18290 1 1166 . 1 1 115 115 LEU N N 15 118.500 0.300 . 1 . . . A 115 LEU N . 18290 1 1167 . 1 1 116 116 GLN H H 1 8.811 0.020 . 1 . . . A 116 GLN H . 18290 1 1168 . 1 1 116 116 GLN HA H 1 3.799 0.020 . 1 . . . A 116 GLN HA . 18290 1 1169 . 1 1 116 116 GLN HB2 H 1 1.981 0.020 . 2 . . . A 116 GLN HB2 . 18290 1 1170 . 1 1 116 116 GLN HB3 H 1 2.204 0.020 . 2 . . . A 116 GLN HB3 . 18290 1 1171 . 1 1 116 116 GLN HG2 H 1 2.195 0.020 . 2 . . . A 116 GLN HG2 . 18290 1 1172 . 1 1 116 116 GLN HG3 H 1 2.399 0.020 . 2 . . . A 116 GLN HG3 . 18290 1 1173 . 1 1 116 116 GLN HE21 H 1 6.975 0.020 . 2 . . . A 116 GLN HE21 . 18290 1 1174 . 1 1 116 116 GLN HE22 H 1 6.717 0.020 . 2 . . . A 116 GLN HE22 . 18290 1 1175 . 1 1 116 116 GLN C C 13 179.012 0.300 . 1 . . . A 116 GLN C . 18290 1 1176 . 1 1 116 116 GLN CA C 13 59.165 0.300 . 1 . . . A 116 GLN CA . 18290 1 1177 . 1 1 116 116 GLN CB C 13 28.361 0.300 . 1 . . . A 116 GLN CB . 18290 1 1178 . 1 1 116 116 GLN CG C 13 34.853 0.300 . 1 . . . A 116 GLN CG . 18290 1 1179 . 1 1 116 116 GLN N N 15 115.579 0.300 . 1 . . . A 116 GLN N . 18290 1 1180 . 1 1 116 116 GLN NE2 N 15 110.086 0.300 . 1 . . . A 116 GLN NE2 . 18290 1 1181 . 1 1 117 117 ALA H H 1 7.683 0.020 . 1 . . . A 117 ALA H . 18290 1 1182 . 1 1 117 117 ALA HA H 1 4.221 0.020 . 1 . . . A 117 ALA HA . 18290 1 1183 . 1 1 117 117 ALA HB1 H 1 1.642 0.020 . 1 . . . A 117 ALA HB1 . 18290 1 1184 . 1 1 117 117 ALA HB2 H 1 1.642 0.020 . 1 . . . A 117 ALA HB2 . 18290 1 1185 . 1 1 117 117 ALA HB3 H 1 1.642 0.020 . 1 . . . A 117 ALA HB3 . 18290 1 1186 . 1 1 117 117 ALA C C 13 177.723 0.300 . 1 . . . A 117 ALA C . 18290 1 1187 . 1 1 117 117 ALA CA C 13 53.743 0.300 . 1 . . . A 117 ALA CA . 18290 1 1188 . 1 1 117 117 ALA CB C 13 18.157 0.300 . 1 . . . A 117 ALA CB . 18290 1 1189 . 1 1 117 117 ALA N N 15 120.675 0.300 . 1 . . . A 117 ALA N . 18290 1 1190 . 1 1 118 118 HIS H H 1 7.605 0.020 . 1 . . . A 118 HIS H . 18290 1 1191 . 1 1 118 118 HIS HA H 1 4.618 0.020 . 1 . . . A 118 HIS HA . 18290 1 1192 . 1 1 118 118 HIS HB2 H 1 3.963 0.020 . 2 . . . A 118 HIS HB2 . 18290 1 1193 . 1 1 118 118 HIS HB3 H 1 3.001 0.020 . 2 . . . A 118 HIS HB3 . 18290 1 1194 . 1 1 118 118 HIS C C 13 173.738 0.300 . 1 . . . A 118 HIS C . 18290 1 1195 . 1 1 118 118 HIS CA C 13 54.993 0.300 . 1 . . . A 118 HIS CA . 18290 1 1196 . 1 1 118 118 HIS CB C 13 29.897 0.300 . 1 . . . A 118 HIS CB . 18290 1 1197 . 1 1 118 118 HIS N N 15 115.348 0.300 . 1 . . . A 118 HIS N . 18290 1 1198 . 1 1 119 119 ALA H H 1 7.260 0.020 . 1 . . . A 119 ALA H . 18290 1 1199 . 1 1 119 119 ALA HA H 1 4.829 0.020 . 1 . . . A 119 ALA HA . 18290 1 1200 . 1 1 119 119 ALA HB1 H 1 1.489 0.020 . 1 . . . A 119 ALA HB1 . 18290 1 1201 . 1 1 119 119 ALA HB2 H 1 1.489 0.020 . 1 . . . A 119 ALA HB2 . 18290 1 1202 . 1 1 119 119 ALA HB3 H 1 1.489 0.020 . 1 . . . A 119 ALA HB3 . 18290 1 1203 . 1 1 119 119 ALA C C 13 178.661 0.300 . 1 . . . A 119 ALA C . 18290 1 1204 . 1 1 119 119 ALA CA C 13 52.493 0.300 . 1 . . . A 119 ALA CA . 18290 1 1205 . 1 1 119 119 ALA CB C 13 20.345 0.300 . 1 . . . A 119 ALA CB . 18290 1 1206 . 1 1 119 119 ALA N N 15 124.110 0.300 . 1 . . . A 119 ALA N . 18290 1 1207 . 1 1 120 120 LEU H H 1 8.772 0.020 . 1 . . . A 120 LEU H . 18290 1 1208 . 1 1 120 120 LEU HA H 1 4.589 0.020 . 1 . . . A 120 LEU HA . 18290 1 1209 . 1 1 120 120 LEU HB2 H 1 1.645 0.020 . 2 . . . A 120 LEU HB2 . 18290 1 1210 . 1 1 120 120 LEU HB3 H 1 1.497 0.020 . 2 . . . A 120 LEU HB3 . 18290 1 1211 . 1 1 120 120 LEU HG H 1 1.545 0.020 . 1 . . . A 120 LEU HG . 18290 1 1212 . 1 1 120 120 LEU HD11 H 1 0.890 0.020 . 1 . . . A 120 LEU HD11 . 18290 1 1213 . 1 1 120 120 LEU HD12 H 1 0.890 0.020 . 1 . . . A 120 LEU HD12 . 18290 1 1214 . 1 1 120 120 LEU HD13 H 1 0.890 0.020 . 1 . . . A 120 LEU HD13 . 18290 1 1215 . 1 1 120 120 LEU HD21 H 1 0.834 0.020 . 1 . . . A 120 LEU HD21 . 18290 1 1216 . 1 1 120 120 LEU HD22 H 1 0.834 0.020 . 1 . . . A 120 LEU HD22 . 18290 1 1217 . 1 1 120 120 LEU HD23 H 1 0.834 0.020 . 1 . . . A 120 LEU HD23 . 18290 1 1218 . 1 1 120 120 LEU C C 13 175.443 0.300 . 1 . . . A 120 LEU C . 18290 1 1219 . 1 1 120 120 LEU CA C 13 52.824 0.300 . 1 . . . A 120 LEU CA . 18290 1 1220 . 1 1 120 120 LEU CB C 13 42.180 0.300 . 1 . . . A 120 LEU CB . 18290 1 1221 . 1 1 120 120 LEU CG C 13 27.126 0.300 . 1 . . . A 120 LEU CG . 18290 1 1222 . 1 1 120 120 LEU CD1 C 13 24.678 0.300 . 1 . . . A 120 LEU CD1 . 18290 1 1223 . 1 1 120 120 LEU CD2 C 13 23.433 0.300 . 1 . . . A 120 LEU CD2 . 18290 1 1224 . 1 1 120 120 LEU N N 15 124.754 0.300 . 1 . . . A 120 LEU N . 18290 1 1225 . 1 1 121 121 PRO HA H 1 4.477 0.020 . 1 . . . A 121 PRO HA . 18290 1 1226 . 1 1 121 121 PRO HB2 H 1 2.287 0.020 . 2 . . . A 121 PRO HB2 . 18290 1 1227 . 1 1 121 121 PRO HB3 H 1 1.840 0.020 . 2 . . . A 121 PRO HB3 . 18290 1 1228 . 1 1 121 121 PRO HG2 H 1 2.032 0.020 . 1 . . . A 121 PRO HG2 . 18290 1 1229 . 1 1 121 121 PRO HG3 H 1 2.032 0.020 . 1 . . . A 121 PRO HG3 . 18290 1 1230 . 1 1 121 121 PRO HD2 H 1 3.957 0.020 . 2 . . . A 121 PRO HD2 . 18290 1 1231 . 1 1 121 121 PRO HD3 H 1 3.660 0.020 . 2 . . . A 121 PRO HD3 . 18290 1 1232 . 1 1 121 121 PRO C C 13 176.551 0.300 . 1 . . . A 121 PRO C . 18290 1 1233 . 1 1 121 121 PRO CA C 13 63.118 0.300 . 1 . . . A 121 PRO CA . 18290 1 1234 . 1 1 121 121 PRO CB C 13 31.866 0.300 . 1 . . . A 121 PRO CB . 18290 1 1235 . 1 1 121 121 PRO CG C 13 27.494 0.300 . 1 . . . A 121 PRO CG . 18290 1 1236 . 1 1 121 121 PRO CD C 13 50.636 0.300 . 1 . . . A 121 PRO CD . 18290 1 1237 . 1 1 122 122 VAL H H 1 8.271 0.020 . 1 . . . A 122 VAL H . 18290 1 1238 . 1 1 122 122 VAL HA H 1 4.025 0.020 . 1 . . . A 122 VAL HA . 18290 1 1239 . 1 1 122 122 VAL HB H 1 2.006 0.020 . 1 . . . A 122 VAL HB . 18290 1 1240 . 1 1 122 122 VAL HG11 H 1 0.867 0.020 . 1 . . . A 122 VAL HG11 . 18290 1 1241 . 1 1 122 122 VAL HG12 H 1 0.867 0.020 . 1 . . . A 122 VAL HG12 . 18290 1 1242 . 1 1 122 122 VAL HG13 H 1 0.867 0.020 . 1 . . . A 122 VAL HG13 . 18290 1 1243 . 1 1 122 122 VAL HG21 H 1 0.867 0.020 . 1 . . . A 122 VAL HG21 . 18290 1 1244 . 1 1 122 122 VAL HG22 H 1 0.867 0.020 . 1 . . . A 122 VAL HG22 . 18290 1 1245 . 1 1 122 122 VAL HG23 H 1 0.867 0.020 . 1 . . . A 122 VAL HG23 . 18290 1 1246 . 1 1 122 122 VAL C C 13 176.082 0.300 . 1 . . . A 122 VAL C . 18290 1 1247 . 1 1 122 122 VAL CA C 13 62.358 0.300 . 1 . . . A 122 VAL CA . 18290 1 1248 . 1 1 122 122 VAL CB C 13 32.491 0.300 . 1 . . . A 122 VAL CB . 18290 1 1249 . 1 1 122 122 VAL CG1 C 13 20.945 0.300 . 1 . . . A 122 VAL CG1 . 18290 1 1250 . 1 1 122 122 VAL N N 15 121.177 0.300 . 1 . . . A 122 VAL N . 18290 1 1251 . 1 1 123 123 LEU H H 1 8.230 0.020 . 1 . . . A 123 LEU H . 18290 1 1252 . 1 1 123 123 LEU HA H 1 4.359 0.020 . 1 . . . A 123 LEU HA . 18290 1 1253 . 1 1 123 123 LEU HB2 H 1 1.561 0.020 . 2 . . . A 123 LEU HB2 . 18290 1 1254 . 1 1 123 123 LEU HB3 H 1 1.491 0.020 . 2 . . . A 123 LEU HB3 . 18290 1 1255 . 1 1 123 123 LEU HG H 1 1.544 0.020 . 1 . . . A 123 LEU HG . 18290 1 1256 . 1 1 123 123 LEU HD11 H 1 0.837 0.020 . 1 . . . A 123 LEU HD11 . 18290 1 1257 . 1 1 123 123 LEU HD12 H 1 0.837 0.020 . 1 . . . A 123 LEU HD12 . 18290 1 1258 . 1 1 123 123 LEU HD13 H 1 0.837 0.020 . 1 . . . A 123 LEU HD13 . 18290 1 1259 . 1 1 123 123 LEU HD21 H 1 0.893 0.020 . 1 . . . A 123 LEU HD21 . 18290 1 1260 . 1 1 123 123 LEU HD22 H 1 0.893 0.020 . 1 . . . A 123 LEU HD22 . 18290 1 1261 . 1 1 123 123 LEU HD23 H 1 0.893 0.020 . 1 . . . A 123 LEU HD23 . 18290 1 1262 . 1 1 123 123 LEU C C 13 176.903 0.300 . 1 . . . A 123 LEU C . 18290 1 1263 . 1 1 123 123 LEU CA C 13 54.680 0.300 . 1 . . . A 123 LEU CA . 18290 1 1264 . 1 1 123 123 LEU CB C 13 42.221 0.300 . 1 . . . A 123 LEU CB . 18290 1 1265 . 1 1 123 123 LEU CG C 13 26.702 0.300 . 1 . . . A 123 LEU CG . 18290 1 1266 . 1 1 123 123 LEU CD1 C 13 23.386 0.300 . 1 . . . A 123 LEU CD1 . 18290 1 1267 . 1 1 123 123 LEU CD2 C 13 24.691 0.300 . 1 . . . A 123 LEU CD2 . 18290 1 1268 . 1 1 123 123 LEU N N 15 125.673 0.300 . 1 . . . A 123 LEU N . 18290 1 1269 . 1 1 124 124 GLU H H 1 8.309 0.020 . 1 . . . A 124 GLU H . 18290 1 1270 . 1 1 124 124 GLU HA H 1 4.204 0.020 . 1 . . . A 124 GLU HA . 18290 1 1271 . 1 1 124 124 GLU HB2 H 1 1.892 0.020 . 2 . . . A 124 GLU HB2 . 18290 1 1272 . 1 1 124 124 GLU HB3 H 1 1.836 0.020 . 2 . . . A 124 GLU HB3 . 18290 1 1273 . 1 1 124 124 GLU HG2 H 1 2.182 0.020 . 2 . . . A 124 GLU HG2 . 18290 1 1274 . 1 1 124 124 GLU HG3 H 1 2.125 0.020 . 2 . . . A 124 GLU HG3 . 18290 1 1275 . 1 1 124 124 GLU C C 13 175.958 0.300 . 1 . . . A 124 GLU C . 18290 1 1276 . 1 1 124 124 GLU CA C 13 56.243 0.300 . 1 . . . A 124 GLU CA . 18290 1 1277 . 1 1 124 124 GLU CB C 13 30.312 0.300 . 1 . . . A 124 GLU CB . 18290 1 1278 . 1 1 124 124 GLU CG C 13 36.031 0.300 . 1 . . . A 124 GLU CG . 18290 1 1279 . 1 1 124 124 GLU N N 15 121.601 0.300 . 1 . . . A 124 GLU N . 18290 1 stop_ save_