data_17865 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17865 _Entry.Title ; Solution structure of Venturia inaequalis cellophane-induced 1 protein (ViCin1) domains 1 and 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-16 _Entry.Accession_date 2011-08-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Carl Mesarich . H. . 17865 2 Michael Schmitz . . . 17865 3 Pierre Tremouilhac . . . 17865 4 David Greenwood . R. . 17865 5 Duncan McGillivray . J. . 17865 6 Matthew Templeton . D. . 17865 7 Andrew Dingley . J. . 17865 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 'not applicable' 'not applicable' . 17865 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NMR structure' . 17865 PROTEIN . 17865 'secreted repeat domain' . 17865 'Venturia inaequalis' . 17865 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17865 heteronucl_NOEs 1 17865 heteronucl_T1_relaxation 1 17865 heteronucl_T2_relaxation 1 17865 spectral_density_values 1 17865 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 499 17865 '15N chemical shifts' 114 17865 '1H chemical shifts' 793 17865 'heteronuclear NOE values' 94 17865 'spectral density values' 94 17865 'T1 relaxation values' 94 17865 'T2 relaxation values' 94 17865 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-08-20 2011-08-16 update BMRB 'update entry citation' 17865 1 . . 2012-07-16 2011-08-16 original author 'original release' 17865 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17865 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22771296 _Citation.Full_citation . _Citation.Title 'Structure, dynamics and domain organization of the repeat protein Cin1 from the apple scab fungus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1824 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1118 _Citation.Page_last 1128 _Citation.Year 2012 _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 Carl Mesarich . H. . 17865 1 2 Michael Schmitz . . . 17865 1 3 Pierre Tremouilhac . . . 17865 1 4 Duncan McGillivray . J. . 17865 1 5 Matthew Templeton . D. . 17865 1 6 Andrew Dingley . J. . 17865 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17865 _Assembly.ID 1 _Assembly.Name ViCin1-D1D2 _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 ViCin1-D1D2 1 $ViCin1-D1D2 A . yes native no no . . . 17865 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ViCin1-D1D2 _Entity.Sf_category entity _Entity.Sf_framecode ViCin1-D1D2 _Entity.Entry_ID 17865 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ViCin1-D1D2 _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 ; ADVFDPPTQYGYDGKPLDAS FCRTAGSREKDCRKDVQACD KKYDDQGRETACAKGIREKY KPAVVYGYDGKPLDLGFCTL AGIREVDCRKDAQTCDKKYE SDKCLNAIKEKYKPVVDPNP PA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue numbering corresponds to protein sequence' _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Venturia inaequalis cellophane-induced protein 1, domains 1 and 2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13649.491 _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 2LHT . "Solution Structure Of Venturia Inaequalis Cellophane-Induced 1 Protein (Vicin1) Domains 1 And 2" . . . . . 100.00 122 100.00 100.00 8.26e-80 . . . . 17865 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 26 ALA . 17865 1 2 27 ASP . 17865 1 3 28 VAL . 17865 1 4 29 PHE . 17865 1 5 30 ASP . 17865 1 6 31 PRO . 17865 1 7 32 PRO . 17865 1 8 33 THR . 17865 1 9 34 GLN . 17865 1 10 35 TYR . 17865 1 11 36 GLY . 17865 1 12 37 TYR . 17865 1 13 38 ASP . 17865 1 14 39 GLY . 17865 1 15 40 LYS . 17865 1 16 41 PRO . 17865 1 17 42 LEU . 17865 1 18 43 ASP . 17865 1 19 44 ALA . 17865 1 20 45 SER . 17865 1 21 46 PHE . 17865 1 22 47 CYS . 17865 1 23 48 ARG . 17865 1 24 49 THR . 17865 1 25 50 ALA . 17865 1 26 51 GLY . 17865 1 27 52 SER . 17865 1 28 53 ARG . 17865 1 29 54 GLU . 17865 1 30 55 LYS . 17865 1 31 56 ASP . 17865 1 32 57 CYS . 17865 1 33 58 ARG . 17865 1 34 59 LYS . 17865 1 35 60 ASP . 17865 1 36 61 VAL . 17865 1 37 62 GLN . 17865 1 38 63 ALA . 17865 1 39 64 CYS . 17865 1 40 65 ASP . 17865 1 41 66 LYS . 17865 1 42 67 LYS . 17865 1 43 68 TYR . 17865 1 44 69 ASP . 17865 1 45 70 ASP . 17865 1 46 71 GLN . 17865 1 47 72 GLY . 17865 1 48 73 ARG . 17865 1 49 74 GLU . 17865 1 50 75 THR . 17865 1 51 76 ALA . 17865 1 52 77 CYS . 17865 1 53 78 ALA . 17865 1 54 79 LYS . 17865 1 55 80 GLY . 17865 1 56 81 ILE . 17865 1 57 82 ARG . 17865 1 58 83 GLU . 17865 1 59 84 LYS . 17865 1 60 85 TYR . 17865 1 61 86 LYS . 17865 1 62 87 PRO . 17865 1 63 88 ALA . 17865 1 64 89 VAL . 17865 1 65 90 VAL . 17865 1 66 91 TYR . 17865 1 67 92 GLY . 17865 1 68 93 TYR . 17865 1 69 94 ASP . 17865 1 70 95 GLY . 17865 1 71 96 LYS . 17865 1 72 97 PRO . 17865 1 73 98 LEU . 17865 1 74 99 ASP . 17865 1 75 100 LEU . 17865 1 76 101 GLY . 17865 1 77 102 PHE . 17865 1 78 103 CYS . 17865 1 79 104 THR . 17865 1 80 105 LEU . 17865 1 81 106 ALA . 17865 1 82 107 GLY . 17865 1 83 108 ILE . 17865 1 84 109 ARG . 17865 1 85 110 GLU . 17865 1 86 111 VAL . 17865 1 87 112 ASP . 17865 1 88 113 CYS . 17865 1 89 114 ARG . 17865 1 90 115 LYS . 17865 1 91 116 ASP . 17865 1 92 117 ALA . 17865 1 93 118 GLN . 17865 1 94 119 THR . 17865 1 95 120 CYS . 17865 1 96 121 ASP . 17865 1 97 122 LYS . 17865 1 98 123 LYS . 17865 1 99 124 TYR . 17865 1 100 125 GLU . 17865 1 101 126 SER . 17865 1 102 127 ASP . 17865 1 103 128 LYS . 17865 1 104 129 CYS . 17865 1 105 130 LEU . 17865 1 106 131 ASN . 17865 1 107 132 ALA . 17865 1 108 133 ILE . 17865 1 109 134 LYS . 17865 1 110 135 GLU . 17865 1 111 136 LYS . 17865 1 112 137 TYR . 17865 1 113 138 LYS . 17865 1 114 139 PRO . 17865 1 115 140 VAL . 17865 1 116 141 VAL . 17865 1 117 142 ASP . 17865 1 118 143 PRO . 17865 1 119 144 ASN . 17865 1 120 145 PRO . 17865 1 121 146 PRO . 17865 1 122 147 ALA . 17865 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 . ALA 1 1 17865 1 . ASP 2 2 17865 1 . VAL 3 3 17865 1 . PHE 4 4 17865 1 . ASP 5 5 17865 1 . PRO 6 6 17865 1 . PRO 7 7 17865 1 . THR 8 8 17865 1 . GLN 9 9 17865 1 . TYR 10 10 17865 1 . GLY 11 11 17865 1 . TYR 12 12 17865 1 . ASP 13 13 17865 1 . GLY 14 14 17865 1 . LYS 15 15 17865 1 . PRO 16 16 17865 1 . LEU 17 17 17865 1 . ASP 18 18 17865 1 . ALA 19 19 17865 1 . SER 20 20 17865 1 . PHE 21 21 17865 1 . CYS 22 22 17865 1 . ARG 23 23 17865 1 . THR 24 24 17865 1 . ALA 25 25 17865 1 . GLY 26 26 17865 1 . SER 27 27 17865 1 . ARG 28 28 17865 1 . GLU 29 29 17865 1 . LYS 30 30 17865 1 . ASP 31 31 17865 1 . CYS 32 32 17865 1 . ARG 33 33 17865 1 . LYS 34 34 17865 1 . ASP 35 35 17865 1 . VAL 36 36 17865 1 . GLN 37 37 17865 1 . ALA 38 38 17865 1 . CYS 39 39 17865 1 . ASP 40 40 17865 1 . LYS 41 41 17865 1 . LYS 42 42 17865 1 . TYR 43 43 17865 1 . ASP 44 44 17865 1 . ASP 45 45 17865 1 . GLN 46 46 17865 1 . GLY 47 47 17865 1 . ARG 48 48 17865 1 . GLU 49 49 17865 1 . THR 50 50 17865 1 . ALA 51 51 17865 1 . CYS 52 52 17865 1 . ALA 53 53 17865 1 . LYS 54 54 17865 1 . GLY 55 55 17865 1 . ILE 56 56 17865 1 . ARG 57 57 17865 1 . GLU 58 58 17865 1 . LYS 59 59 17865 1 . TYR 60 60 17865 1 . LYS 61 61 17865 1 . PRO 62 62 17865 1 . ALA 63 63 17865 1 . VAL 64 64 17865 1 . VAL 65 65 17865 1 . TYR 66 66 17865 1 . GLY 67 67 17865 1 . TYR 68 68 17865 1 . ASP 69 69 17865 1 . GLY 70 70 17865 1 . LYS 71 71 17865 1 . PRO 72 72 17865 1 . LEU 73 73 17865 1 . ASP 74 74 17865 1 . LEU 75 75 17865 1 . GLY 76 76 17865 1 . PHE 77 77 17865 1 . CYS 78 78 17865 1 . THR 79 79 17865 1 . LEU 80 80 17865 1 . ALA 81 81 17865 1 . GLY 82 82 17865 1 . ILE 83 83 17865 1 . ARG 84 84 17865 1 . GLU 85 85 17865 1 . VAL 86 86 17865 1 . ASP 87 87 17865 1 . CYS 88 88 17865 1 . ARG 89 89 17865 1 . LYS 90 90 17865 1 . ASP 91 91 17865 1 . ALA 92 92 17865 1 . GLN 93 93 17865 1 . THR 94 94 17865 1 . CYS 95 95 17865 1 . ASP 96 96 17865 1 . LYS 97 97 17865 1 . LYS 98 98 17865 1 . TYR 99 99 17865 1 . GLU 100 100 17865 1 . SER 101 101 17865 1 . ASP 102 102 17865 1 . LYS 103 103 17865 1 . CYS 104 104 17865 1 . LEU 105 105 17865 1 . ASN 106 106 17865 1 . ALA 107 107 17865 1 . ILE 108 108 17865 1 . LYS 109 109 17865 1 . GLU 110 110 17865 1 . LYS 111 111 17865 1 . TYR 112 112 17865 1 . LYS 113 113 17865 1 . PRO 114 114 17865 1 . VAL 115 115 17865 1 . VAL 116 116 17865 1 . ASP 117 117 17865 1 . PRO 118 118 17865 1 . ASN 119 119 17865 1 . PRO 120 120 17865 1 . PRO 121 121 17865 1 . ALA 122 122 17865 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 17865 _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 $ViCin1-D1D2 . 5025 organism . 'Venturia inaequalis' 'Venturia inaequalis' . . Eukaryota Fungi Venturia inaequalis MNH135 . . . . . . . . . . . . . . . ViCin1 . 'ViCin1-D1D2 identical to protein sequence from isolate MNH120' . . 17865 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 17865 _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 $ViCin1-D1D2 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris KM71H . . . . . . . . . . . . . . . pPICZaBCin1-2D . . . 'Jones, W. T., Harvey, D., Sun, X., Greenwood, D. R., Al-Sammarai, T. H., Mesarich, C. H., Lowry, J. and Templeton, M. D. (2009). Heterologous expression, isotopic-labeling and immuno-characterisation of Cin1, a novel protein secreted by the phytopathogenic fungus Venturia inaequalis. Protein Expression and Purification, 65(2): 140-147.' . . 17865 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17865 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ViCin1-D1D2 '[U-99% 13C; U-99% 15N]' . . 1 $ViCin1-D1D2 . . 0.6-0.8 . . mM . . . . 17865 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17865 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17865 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17865 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17865 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ViCin1-D1D2 '[U-99% 13C; U-99% 15N]' . . 1 $ViCin1-D1D2 . . 1.0 . . mM . . . . 17865 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17865 2 3 'polyacrylamide gel' 'natural abundance' . . . . . . 5-6 . . % . . . . 17865 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17865 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17865 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 17865 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 17865 1 pH 6.2 . pH 17865 1 pressure 1 . atm 17865 1 temperature 298.15 . K 17865 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17865 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 17865 2 pH 6.2 . pH 17865 2 pressure 1 . atm 17865 2 temperature 298.15 . K 17865 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17865 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1pl3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17865 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17865 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17865 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17865 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17865 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 17865 _Software.ID 3 _Software.Name CcpNMR _Software.Version 2.07 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17865 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17865 3 'peak picking' 17865 3 stop_ save_ save_UNIO10 _Software.Sf_category software _Software.Sf_framecode UNIO10 _Software.Entry_ID 17865 _Software.ID 4 _Software.Name UNIO _Software.Version 2.0 _Software.Details 'Using Cyana 2.1 as back end' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Herrmann . . 17865 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17865 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17865 _Software.ID 5 _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' . . 17865 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17865 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17865 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17865 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17865 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 17865 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 4 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 7 '3D HCAN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 12 '2D HBCBCGCDHG' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 13 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 17 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 18 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 19 '2D 1H-15N R2 relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 20 '2D 1H-15N R1 relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 1 21 '2D 1H-15N heteronuclear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17865 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 17865 _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 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17865 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17865 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17865 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 17865 _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 2 '3D HNCA' . . . 17865 1 3 '3D HN(CO)CA' . . . 17865 1 4 '3D CBCANH' . . . 17865 1 5 '3D CBCA(CO)NH' . . . 17865 1 6 '3D HNCO' . . . 17865 1 7 '3D HCAN' . . . 17865 1 8 '3D H(CCO)NH' . . . 17865 1 9 '3D C(CO)NH' . . . 17865 1 10 '3D 1H-15N TOCSY' . . . 17865 1 11 '3D HCCH-TOCSY' . . . 17865 1 12 '2D HBCBCGCDHG' . . . 17865 1 13 '2D HBCBCGCDCEHE' . . . 17865 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 1 1 ALA HA H 1 4.067 0.003 . 1 . . . A 26 ALA HA . 17865 1 2 . 1 1 1 1 ALA HB1 H 1 1.486 0.001 . 1 . . . A 26 ALA HB1 . 17865 1 3 . 1 1 1 1 ALA HB2 H 1 1.486 0.001 . 1 . . . A 26 ALA HB2 . 17865 1 4 . 1 1 1 1 ALA HB3 H 1 1.486 0.001 . 1 . . . A 26 ALA HB3 . 17865 1 5 . 1 1 1 1 ALA C C 13 173.546 0.100 . 1 . . . A 26 ALA C . 17865 1 6 . 1 1 1 1 ALA CA C 13 51.879 0.187 . 1 . . . A 26 ALA CA . 17865 1 7 . 1 1 1 1 ALA CB C 13 19.454 0.078 . 1 . . . A 26 ALA CB . 17865 1 8 . 1 1 2 2 ASP H H 1 8.639 0.002 . 1 . . . A 27 ASP H . 17865 1 9 . 1 1 2 2 ASP HA H 1 4.638 0.003 . 1 . . . A 27 ASP HA . 17865 1 10 . 1 1 2 2 ASP HB2 H 1 2.482 0.004 . 2 . . . A 27 ASP HB2 . 17865 1 11 . 1 1 2 2 ASP HB3 H 1 2.569 0.001 . 2 . . . A 27 ASP HB3 . 17865 1 12 . 1 1 2 2 ASP C C 13 175.878 0.100 . 1 . . . A 27 ASP C . 17865 1 13 . 1 1 2 2 ASP CA C 13 54.382 0.088 . 1 . . . A 27 ASP CA . 17865 1 14 . 1 1 2 2 ASP CB C 13 41.729 0.072 . 1 . . . A 27 ASP CB . 17865 1 15 . 1 1 2 2 ASP N N 15 121.041 0.100 . 1 . . . A 27 ASP N . 17865 1 16 . 1 1 3 3 VAL H H 1 8.113 0.002 . 1 . . . A 28 VAL H . 17865 1 17 . 1 1 3 3 VAL HA H 1 4.033 0.004 . 1 . . . A 28 VAL HA . 17865 1 18 . 1 1 3 3 VAL HB H 1 1.960 0.003 . 1 . . . A 28 VAL HB . 17865 1 19 . 1 1 3 3 VAL HG11 H 1 0.805 0.006 . 1 . . . A 28 VAL HG11 . 17865 1 20 . 1 1 3 3 VAL HG12 H 1 0.805 0.006 . 1 . . . A 28 VAL HG12 . 17865 1 21 . 1 1 3 3 VAL HG13 H 1 0.805 0.006 . 1 . . . A 28 VAL HG13 . 17865 1 22 . 1 1 3 3 VAL HG21 H 1 0.805 0.006 . 1 . . . A 28 VAL HG21 . 17865 1 23 . 1 1 3 3 VAL HG22 H 1 0.805 0.006 . 1 . . . A 28 VAL HG22 . 17865 1 24 . 1 1 3 3 VAL HG23 H 1 0.805 0.006 . 1 . . . A 28 VAL HG23 . 17865 1 25 . 1 1 3 3 VAL C C 13 175.521 0.100 . 1 . . . A 28 VAL C . 17865 1 26 . 1 1 3 3 VAL CA C 13 62.216 0.072 . 1 . . . A 28 VAL CA . 17865 1 27 . 1 1 3 3 VAL CB C 13 33.003 0.050 . 1 . . . A 28 VAL CB . 17865 1 28 . 1 1 3 3 VAL CG1 C 13 20.813 0.127 . 1 . . . A 28 VAL CG1 . 17865 1 29 . 1 1 3 3 VAL CG2 C 13 20.813 0.127 . 1 . . . A 28 VAL CG2 . 17865 1 30 . 1 1 3 3 VAL N N 15 119.901 0.100 . 1 . . . A 28 VAL N . 17865 1 31 . 1 1 4 4 PHE H H 1 8.255 0.002 . 1 . . . A 29 PHE H . 17865 1 32 . 1 1 4 4 PHE HA H 1 4.656 0.009 . 1 . . . A 29 PHE HA . 17865 1 33 . 1 1 4 4 PHE HB2 H 1 2.957 0.005 . 2 . . . A 29 PHE HB2 . 17865 1 34 . 1 1 4 4 PHE HB3 H 1 3.101 0.007 . 2 . . . A 29 PHE HB3 . 17865 1 35 . 1 1 4 4 PHE HD1 H 1 7.305 0.002 . 3 . . . A 29 PHE HD1 . 17865 1 36 . 1 1 4 4 PHE HD2 H 1 7.305 0.002 . 3 . . . A 29 PHE HD2 . 17865 1 37 . 1 1 4 4 PHE HE1 H 1 7.219 0.002 . 3 . . . A 29 PHE HE1 . 17865 1 38 . 1 1 4 4 PHE HE2 H 1 7.219 0.002 . 3 . . . A 29 PHE HE2 . 17865 1 39 . 1 1 4 4 PHE C C 13 174.874 0.100 . 1 . . . A 29 PHE C . 17865 1 40 . 1 1 4 4 PHE CA C 13 57.159 0.143 . 1 . . . A 29 PHE CA . 17865 1 41 . 1 1 4 4 PHE CB C 13 39.795 0.049 . 1 . . . A 29 PHE CB . 17865 1 42 . 1 1 4 4 PHE N N 15 123.707 0.100 . 1 . . . A 29 PHE N . 17865 1 43 . 1 1 5 5 ASP H H 1 8.226 0.002 . 1 . . . A 30 ASP H . 17865 1 44 . 1 1 5 5 ASP HA H 1 4.838 0.003 . 1 . . . A 30 ASP HA . 17865 1 45 . 1 1 5 5 ASP HB2 H 1 2.392 0.006 . 2 . . . A 30 ASP HB2 . 17865 1 46 . 1 1 5 5 ASP HB3 H 1 2.614 0.004 . 2 . . . A 30 ASP HB3 . 17865 1 47 . 1 1 5 5 ASP CA C 13 52.385 0.041 . 1 . . . A 30 ASP CA . 17865 1 48 . 1 1 5 5 ASP CB C 13 40.801 0.020 . 1 . . . A 30 ASP CB . 17865 1 49 . 1 1 5 5 ASP N N 15 124.203 0.100 . 1 . . . A 30 ASP N . 17865 1 50 . 1 1 6 6 PRO HA H 1 4.537 0.002 . 1 . . . A 31 PRO HA . 17865 1 51 . 1 1 6 6 PRO HB2 H 1 1.879 0.001 . 2 . . . A 31 PRO HB2 . 17865 1 52 . 1 1 6 6 PRO HB3 H 1 2.265 0.003 . 2 . . . A 31 PRO HB3 . 17865 1 53 . 1 1 6 6 PRO HG2 H 1 1.952 0.006 . 2 . . . A 31 PRO HG2 . 17865 1 54 . 1 1 6 6 PRO HG3 H 1 1.995 0.001 . 2 . . . A 31 PRO HG3 . 17865 1 55 . 1 1 6 6 PRO HD2 H 1 3.611 0.005 . 2 . . . A 31 PRO HD2 . 17865 1 56 . 1 1 6 6 PRO HD3 H 1 3.646 0.002 . 2 . . . A 31 PRO HD3 . 17865 1 57 . 1 1 6 6 PRO CA C 13 61.664 0.023 . 1 . . . A 31 PRO CA . 17865 1 58 . 1 1 6 6 PRO CB C 13 30.826 0.003 . 1 . . . A 31 PRO CB . 17865 1 59 . 1 1 6 6 PRO CG C 13 27.505 0.053 . 1 . . . A 31 PRO CG . 17865 1 60 . 1 1 6 6 PRO CD C 13 50.363 0.070 . 1 . . . A 31 PRO CD . 17865 1 61 . 1 1 7 7 PRO HA H 1 4.426 0.001 . 1 . . . A 32 PRO HA . 17865 1 62 . 1 1 7 7 PRO HB2 H 1 1.870 0.003 . 2 . . . A 32 PRO HB2 . 17865 1 63 . 1 1 7 7 PRO HB3 H 1 2.247 0.001 . 2 . . . A 32 PRO HB3 . 17865 1 64 . 1 1 7 7 PRO HG2 H 1 1.988 0.001 . 1 . . . A 32 PRO HG2 . 17865 1 65 . 1 1 7 7 PRO HG3 H 1 1.988 0.001 . 1 . . . A 32 PRO HG3 . 17865 1 66 . 1 1 7 7 PRO HD2 H 1 3.764 0.005 . 2 . . . A 32 PRO HD2 . 17865 1 67 . 1 1 7 7 PRO HD3 H 1 3.620 0.001 . 2 . . . A 32 PRO HD3 . 17865 1 68 . 1 1 7 7 PRO C C 13 177.226 0.100 . 1 . . . A 32 PRO C . 17865 1 69 . 1 1 7 7 PRO CA C 13 63.169 0.116 . 1 . . . A 32 PRO CA . 17865 1 70 . 1 1 7 7 PRO CB C 13 31.948 0.066 . 1 . . . A 32 PRO CB . 17865 1 71 . 1 1 7 7 PRO CG C 13 27.440 0.053 . 1 . . . A 32 PRO CG . 17865 1 72 . 1 1 7 7 PRO CD C 13 50.429 0.001 . 1 . . . A 32 PRO CD . 17865 1 73 . 1 1 8 8 THR H H 1 8.096 0.002 . 1 . . . A 33 THR H . 17865 1 74 . 1 1 8 8 THR HA H 1 4.195 0.004 . 1 . . . A 33 THR HA . 17865 1 75 . 1 1 8 8 THR HB H 1 4.067 0.004 . 1 . . . A 33 THR HB . 17865 1 76 . 1 1 8 8 THR HG21 H 1 1.075 0.007 . 1 . . . A 33 THR HG21 . 17865 1 77 . 1 1 8 8 THR HG22 H 1 1.075 0.007 . 1 . . . A 33 THR HG22 . 17865 1 78 . 1 1 8 8 THR HG23 H 1 1.075 0.007 . 1 . . . A 33 THR HG23 . 17865 1 79 . 1 1 8 8 THR C C 13 174.468 0.100 . 1 . . . A 33 THR C . 17865 1 80 . 1 1 8 8 THR CA C 13 62.110 0.122 . 1 . . . A 33 THR CA . 17865 1 81 . 1 1 8 8 THR CB C 13 69.975 0.087 . 1 . . . A 33 THR CB . 17865 1 82 . 1 1 8 8 THR CG2 C 13 21.641 0.034 . 1 . . . A 33 THR CG2 . 17865 1 83 . 1 1 8 8 THR N N 15 114.158 0.100 . 1 . . . A 33 THR N . 17865 1 84 . 1 1 9 9 GLN H H 1 8.278 0.002 . 1 . . . A 34 GLN H . 17865 1 85 . 1 1 9 9 GLN HA H 1 4.263 0.004 . 1 . . . A 34 GLN HA . 17865 1 86 . 1 1 9 9 GLN HB2 H 1 1.828 0.002 . 2 . . . A 34 GLN HB2 . 17865 1 87 . 1 1 9 9 GLN HB3 H 1 1.922 0.003 . 2 . . . A 34 GLN HB3 . 17865 1 88 . 1 1 9 9 GLN HG2 H 1 2.146 0.002 . 1 . . . A 34 GLN HG2 . 17865 1 89 . 1 1 9 9 GLN HG3 H 1 2.146 0.002 . 1 . . . A 34 GLN HG3 . 17865 1 90 . 1 1 9 9 GLN HE21 H 1 7.399 0.002 . 2 . . . A 34 GLN HE21 . 17865 1 91 . 1 1 9 9 GLN HE22 H 1 6.790 0.002 . 2 . . . A 34 GLN HE22 . 17865 1 92 . 1 1 9 9 GLN C C 13 175.445 0.100 . 1 . . . A 34 GLN C . 17865 1 93 . 1 1 9 9 GLN CA C 13 55.763 0.122 . 1 . . . A 34 GLN CA . 17865 1 94 . 1 1 9 9 GLN CB C 13 29.691 0.102 . 1 . . . A 34 GLN CB . 17865 1 95 . 1 1 9 9 GLN CG C 13 33.665 0.035 . 1 . . . A 34 GLN CG . 17865 1 96 . 1 1 9 9 GLN N N 15 122.411 0.100 . 1 . . . A 34 GLN N . 17865 1 97 . 1 1 9 9 GLN NE2 N 15 112.064 0.014 . 1 . . . A 34 GLN NE2 . 17865 1 98 . 1 1 10 10 TYR H H 1 8.227 0.002 . 1 . . . A 35 TYR H . 17865 1 99 . 1 1 10 10 TYR HA H 1 4.520 0.017 . 1 . . . A 35 TYR HA . 17865 1 100 . 1 1 10 10 TYR HB2 H 1 3.014 0.002 . 2 . . . A 35 TYR HB2 . 17865 1 101 . 1 1 10 10 TYR HB3 H 1 2.820 0.001 . 2 . . . A 35 TYR HB3 . 17865 1 102 . 1 1 10 10 TYR HD1 H 1 7.056 0.003 . 3 . . . A 35 TYR HD1 . 17865 1 103 . 1 1 10 10 TYR HD2 H 1 7.056 0.003 . 3 . . . A 35 TYR HD2 . 17865 1 104 . 1 1 10 10 TYR HE1 H 1 6.777 0.002 . 3 . . . A 35 TYR HE1 . 17865 1 105 . 1 1 10 10 TYR HE2 H 1 6.777 0.002 . 3 . . . A 35 TYR HE2 . 17865 1 106 . 1 1 10 10 TYR C C 13 176.314 0.100 . 1 . . . A 35 TYR C . 17865 1 107 . 1 1 10 10 TYR CA C 13 57.972 0.122 . 1 . . . A 35 TYR CA . 17865 1 108 . 1 1 10 10 TYR CB C 13 38.936 0.025 . 1 . . . A 35 TYR CB . 17865 1 109 . 1 1 10 10 TYR CD1 C 13 133.399 0.053 . 1 . . . A 35 TYR CD1 . 17865 1 110 . 1 1 10 10 TYR CD2 C 13 133.399 0.053 . 1 . . . A 35 TYR CD2 . 17865 1 111 . 1 1 10 10 TYR CE1 C 13 118.753 0.097 . 1 . . . A 35 TYR CE1 . 17865 1 112 . 1 1 10 10 TYR CE2 C 13 118.753 0.097 . 1 . . . A 35 TYR CE2 . 17865 1 113 . 1 1 10 10 TYR N N 15 121.048 0.100 . 1 . . . A 35 TYR N . 17865 1 114 . 1 1 11 11 GLY H H 1 8.247 0.002 . 1 . . . A 36 GLY H . 17865 1 115 . 1 1 11 11 GLY HA2 H 1 3.859 0.003 . 1 . . . A 36 GLY HA2 . 17865 1 116 . 1 1 11 11 GLY HA3 H 1 3.859 0.003 . 1 . . . A 36 GLY HA3 . 17865 1 117 . 1 1 11 11 GLY C C 13 174.128 0.100 . 1 . . . A 36 GLY C . 17865 1 118 . 1 1 11 11 GLY CA C 13 45.212 0.070 . 1 . . . A 36 GLY CA . 17865 1 119 . 1 1 11 11 GLY N N 15 109.711 0.100 . 1 . . . A 36 GLY N . 17865 1 120 . 1 1 12 12 TYR H H 1 8.101 0.002 . 1 . . . A 37 TYR H . 17865 1 121 . 1 1 12 12 TYR HA H 1 4.482 0.002 . 1 . . . A 37 TYR HA . 17865 1 122 . 1 1 12 12 TYR HB2 H 1 3.024 0.002 . 2 . . . A 37 TYR HB2 . 17865 1 123 . 1 1 12 12 TYR HB3 H 1 2.974 0.002 . 2 . . . A 37 TYR HB3 . 17865 1 124 . 1 1 12 12 TYR HD1 H 1 7.097 0.021 . 3 . . . A 37 TYR HD1 . 17865 1 125 . 1 1 12 12 TYR HD2 H 1 7.097 0.021 . 3 . . . A 37 TYR HD2 . 17865 1 126 . 1 1 12 12 TYR HE1 H 1 6.817 0.022 . 3 . . . A 37 TYR HE1 . 17865 1 127 . 1 1 12 12 TYR HE2 H 1 6.817 0.022 . 3 . . . A 37 TYR HE2 . 17865 1 128 . 1 1 12 12 TYR C C 13 175.864 0.100 . 1 . . . A 37 TYR C . 17865 1 129 . 1 1 12 12 TYR CA C 13 58.541 0.078 . 1 . . . A 37 TYR CA . 17865 1 130 . 1 1 12 12 TYR CB C 13 38.715 0.043 . 1 . . . A 37 TYR CB . 17865 1 131 . 1 1 12 12 TYR CD1 C 13 133.229 0.155 . 1 . . . A 37 TYR CD1 . 17865 1 132 . 1 1 12 12 TYR CD2 C 13 133.229 0.155 . 1 . . . A 37 TYR CD2 . 17865 1 133 . 1 1 12 12 TYR CE1 C 13 118.287 0.092 . 1 . . . A 37 TYR CE1 . 17865 1 134 . 1 1 12 12 TYR CE2 C 13 118.287 0.092 . 1 . . . A 37 TYR CE2 . 17865 1 135 . 1 1 12 12 TYR N N 15 120.302 0.100 . 1 . . . A 37 TYR N . 17865 1 136 . 1 1 13 13 ASP H H 1 8.266 0.002 . 1 . . . A 38 ASP H . 17865 1 137 . 1 1 13 13 ASP HA H 1 4.486 0.007 . 1 . . . A 38 ASP HA . 17865 1 138 . 1 1 13 13 ASP HB2 H 1 2.603 0.001 . 2 . . . A 38 ASP HB2 . 17865 1 139 . 1 1 13 13 ASP HB3 H 1 2.647 0.001 . 2 . . . A 38 ASP HB3 . 17865 1 140 . 1 1 13 13 ASP C C 13 176.538 0.100 . 1 . . . A 38 ASP C . 17865 1 141 . 1 1 13 13 ASP CA C 13 54.223 0.105 . 1 . . . A 38 ASP CA . 17865 1 142 . 1 1 13 13 ASP CB C 13 40.988 0.038 . 1 . . . A 38 ASP CB . 17865 1 143 . 1 1 13 13 ASP N N 15 121.883 0.100 . 1 . . . A 38 ASP N . 17865 1 144 . 1 1 14 14 GLY H H 1 7.647 0.002 . 1 . . . A 39 GLY H . 17865 1 145 . 1 1 14 14 GLY HA2 H 1 3.806 0.001 . 2 . . . A 39 GLY HA2 . 17865 1 146 . 1 1 14 14 GLY HA3 H 1 3.861 0.008 . 2 . . . A 39 GLY HA3 . 17865 1 147 . 1 1 14 14 GLY C C 13 173.822 0.100 . 1 . . . A 39 GLY C . 17865 1 148 . 1 1 14 14 GLY CA C 13 45.404 0.050 . 1 . . . A 39 GLY CA . 17865 1 149 . 1 1 14 14 GLY N N 15 107.705 0.100 . 1 . . . A 39 GLY N . 17865 1 150 . 1 1 15 15 LYS H H 1 7.908 0.002 . 1 . . . A 40 LYS H . 17865 1 151 . 1 1 15 15 LYS HA H 1 4.575 0.006 . 1 . . . A 40 LYS HA . 17865 1 152 . 1 1 15 15 LYS HB2 H 1 1.791 0.001 . 2 . . . A 40 LYS HB2 . 17865 1 153 . 1 1 15 15 LYS HB3 H 1 1.718 0.003 . 2 . . . A 40 LYS HB3 . 17865 1 154 . 1 1 15 15 LYS HG2 H 1 1.391 0.008 . 1 . . . A 40 LYS HG2 . 17865 1 155 . 1 1 15 15 LYS HG3 H 1 1.391 0.008 . 1 . . . A 40 LYS HG3 . 17865 1 156 . 1 1 15 15 LYS HD2 H 1 1.629 0.002 . 1 . . . A 40 LYS HD2 . 17865 1 157 . 1 1 15 15 LYS HD3 H 1 1.629 0.002 . 1 . . . A 40 LYS HD3 . 17865 1 158 . 1 1 15 15 LYS HE2 H 1 2.944 0.008 . 1 . . . A 40 LYS HE2 . 17865 1 159 . 1 1 15 15 LYS HE3 H 1 2.944 0.008 . 1 . . . A 40 LYS HE3 . 17865 1 160 . 1 1 15 15 LYS CA C 13 54.100 0.077 . 1 . . . A 40 LYS CA . 17865 1 161 . 1 1 15 15 LYS CB C 13 32.510 0.042 . 1 . . . A 40 LYS CB . 17865 1 162 . 1 1 15 15 LYS CG C 13 24.645 0.034 . 1 . . . A 40 LYS CG . 17865 1 163 . 1 1 15 15 LYS CD C 13 29.327 0.053 . 1 . . . A 40 LYS CD . 17865 1 164 . 1 1 15 15 LYS CE C 13 42.157 0.097 . 1 . . . A 40 LYS CE . 17865 1 165 . 1 1 15 15 LYS N N 15 121.621 0.100 . 1 . . . A 40 LYS N . 17865 1 166 . 1 1 16 16 PRO HA H 1 4.352 0.014 . 1 . . . A 41 PRO HA . 17865 1 167 . 1 1 16 16 PRO HB2 H 1 1.813 0.003 . 2 . . . A 41 PRO HB2 . 17865 1 168 . 1 1 16 16 PRO HB3 H 1 2.182 0.002 . 2 . . . A 41 PRO HB3 . 17865 1 169 . 1 1 16 16 PRO HG2 H 1 1.889 0.008 . 2 . . . A 41 PRO HG2 . 17865 1 170 . 1 1 16 16 PRO HG3 H 1 1.987 0.005 . 2 . . . A 41 PRO HG3 . 17865 1 171 . 1 1 16 16 PRO HD2 H 1 3.574 0.006 . 2 . . . A 41 PRO HD2 . 17865 1 172 . 1 1 16 16 PRO HD3 H 1 3.755 0.007 . 2 . . . A 41 PRO HD3 . 17865 1 173 . 1 1 16 16 PRO C C 13 176.806 0.100 . 1 . . . A 41 PRO C . 17865 1 174 . 1 1 16 16 PRO CA C 13 62.758 0.086 . 1 . . . A 41 PRO CA . 17865 1 175 . 1 1 16 16 PRO CB C 13 32.314 0.049 . 1 . . . A 41 PRO CB . 17865 1 176 . 1 1 16 16 PRO CG C 13 27.049 0.008 . 1 . . . A 41 PRO CG . 17865 1 177 . 1 1 16 16 PRO CD C 13 50.830 0.053 . 1 . . . A 41 PRO CD . 17865 1 178 . 1 1 17 17 LEU H H 1 8.499 0.002 . 1 . . . A 42 LEU H . 17865 1 179 . 1 1 17 17 LEU HA H 1 4.049 0.004 . 1 . . . A 42 LEU HA . 17865 1 180 . 1 1 17 17 LEU HB2 H 1 1.377 0.001 . 1 . . . A 42 LEU HB2 . 17865 1 181 . 1 1 17 17 LEU HB3 H 1 1.377 0.001 . 1 . . . A 42 LEU HB3 . 17865 1 182 . 1 1 17 17 LEU HG H 1 1.301 0.015 . 1 . . . A 42 LEU HG . 17865 1 183 . 1 1 17 17 LEU HD11 H 1 0.505 0.005 . 1 . . . A 42 LEU HD11 . 17865 1 184 . 1 1 17 17 LEU HD12 H 1 0.505 0.005 . 1 . . . A 42 LEU HD12 . 17865 1 185 . 1 1 17 17 LEU HD13 H 1 0.505 0.005 . 1 . . . A 42 LEU HD13 . 17865 1 186 . 1 1 17 17 LEU HD21 H 1 0.451 0.003 . 1 . . . A 42 LEU HD21 . 17865 1 187 . 1 1 17 17 LEU HD22 H 1 0.451 0.003 . 1 . . . A 42 LEU HD22 . 17865 1 188 . 1 1 17 17 LEU HD23 H 1 0.451 0.003 . 1 . . . A 42 LEU HD23 . 17865 1 189 . 1 1 17 17 LEU C C 13 174.973 0.100 . 1 . . . A 42 LEU C . 17865 1 190 . 1 1 17 17 LEU CA C 13 55.436 0.172 . 1 . . . A 42 LEU CA . 17865 1 191 . 1 1 17 17 LEU CB C 13 42.093 0.113 . 1 . . . A 42 LEU CB . 17865 1 192 . 1 1 17 17 LEU CG C 13 27.053 0.022 . 1 . . . A 42 LEU CG . 17865 1 193 . 1 1 17 17 LEU CD1 C 13 24.704 0.053 . 1 . . . A 42 LEU CD1 . 17865 1 194 . 1 1 17 17 LEU CD2 C 13 24.704 0.053 . 1 . . . A 42 LEU CD2 . 17865 1 195 . 1 1 17 17 LEU N N 15 123.488 0.100 . 1 . . . A 42 LEU N . 17865 1 196 . 1 1 18 18 ASP H H 1 7.789 0.002 . 1 . . . A 43 ASP H . 17865 1 197 . 1 1 18 18 ASP HA H 1 4.498 0.006 . 1 . . . A 43 ASP HA . 17865 1 198 . 1 1 18 18 ASP HB2 H 1 3.030 0.013 . 2 . . . A 43 ASP HB2 . 17865 1 199 . 1 1 18 18 ASP HB3 H 1 2.744 0.007 . 2 . . . A 43 ASP HB3 . 17865 1 200 . 1 1 18 18 ASP C C 13 175.947 0.100 . 1 . . . A 43 ASP C . 17865 1 201 . 1 1 18 18 ASP CA C 13 52.858 0.067 . 1 . . . A 43 ASP CA . 17865 1 202 . 1 1 18 18 ASP CB C 13 42.221 0.027 . 1 . . . A 43 ASP CB . 17865 1 203 . 1 1 18 18 ASP N N 15 123.354 0.100 . 1 . . . A 43 ASP N . 17865 1 204 . 1 1 19 19 ALA H H 1 8.561 0.002 . 1 . . . A 44 ALA H . 17865 1 205 . 1 1 19 19 ALA HA H 1 3.986 0.003 . 1 . . . A 44 ALA HA . 17865 1 206 . 1 1 19 19 ALA HB1 H 1 1.395 0.009 . 1 . . . A 44 ALA HB1 . 17865 1 207 . 1 1 19 19 ALA HB2 H 1 1.395 0.009 . 1 . . . A 44 ALA HB2 . 17865 1 208 . 1 1 19 19 ALA HB3 H 1 1.395 0.009 . 1 . . . A 44 ALA HB3 . 17865 1 209 . 1 1 19 19 ALA C C 13 179.476 0.100 . 1 . . . A 44 ALA C . 17865 1 210 . 1 1 19 19 ALA CA C 13 55.163 0.131 . 1 . . . A 44 ALA CA . 17865 1 211 . 1 1 19 19 ALA CB C 13 18.387 0.081 . 1 . . . A 44 ALA CB . 17865 1 212 . 1 1 19 19 ALA N N 15 120.147 0.100 . 1 . . . A 44 ALA N . 17865 1 213 . 1 1 20 20 SER H H 1 8.466 0.002 . 1 . . . A 45 SER H . 17865 1 214 . 1 1 20 20 SER HA H 1 4.151 0.003 . 1 . . . A 45 SER HA . 17865 1 215 . 1 1 20 20 SER HB2 H 1 3.973 0.009 . 1 . . . A 45 SER HB2 . 17865 1 216 . 1 1 20 20 SER HB3 H 1 3.973 0.009 . 1 . . . A 45 SER HB3 . 17865 1 217 . 1 1 20 20 SER C C 13 177.191 0.100 . 1 . . . A 45 SER C . 17865 1 218 . 1 1 20 20 SER CA C 13 61.629 0.074 . 1 . . . A 45 SER CA . 17865 1 219 . 1 1 20 20 SER CB C 13 62.804 0.070 . 1 . . . A 45 SER CB . 17865 1 220 . 1 1 20 20 SER N N 15 115.037 0.100 . 1 . . . A 45 SER N . 17865 1 221 . 1 1 21 21 PHE H H 1 8.034 0.002 . 1 . . . A 46 PHE H . 17865 1 222 . 1 1 21 21 PHE HA H 1 4.231 0.003 . 1 . . . A 46 PHE HA . 17865 1 223 . 1 1 21 21 PHE HB2 H 1 3.558 0.002 . 2 . . . A 46 PHE HB2 . 17865 1 224 . 1 1 21 21 PHE HB3 H 1 3.049 0.001 . 2 . . . A 46 PHE HB3 . 17865 1 225 . 1 1 21 21 PHE C C 13 176.850 0.100 . 1 . . . A 46 PHE C . 17865 1 226 . 1 1 21 21 PHE CA C 13 60.806 0.141 . 1 . . . A 46 PHE CA . 17865 1 227 . 1 1 21 21 PHE CB C 13 39.881 0.053 . 1 . . . A 46 PHE CB . 17865 1 228 . 1 1 21 21 PHE N N 15 125.030 0.100 . 1 . . . A 46 PHE N . 17865 1 229 . 1 1 22 22 CYS H H 1 7.691 0.002 . 1 . . . A 47 CYS H . 17865 1 230 . 1 1 22 22 CYS HA H 1 4.251 0.026 . 1 . . . A 47 CYS HA . 17865 1 231 . 1 1 22 22 CYS HB2 H 1 3.162 0.025 . 2 . . . A 47 CYS HB2 . 17865 1 232 . 1 1 22 22 CYS HB3 H 1 2.881 0.005 . 2 . . . A 47 CYS HB3 . 17865 1 233 . 1 1 22 22 CYS C C 13 176.449 0.100 . 1 . . . A 47 CYS C . 17865 1 234 . 1 1 22 22 CYS CA C 13 53.600 0.167 . 1 . . . A 47 CYS CA . 17865 1 235 . 1 1 22 22 CYS CB C 13 36.391 0.011 . 1 . . . A 47 CYS CB . 17865 1 236 . 1 1 22 22 CYS N N 15 113.943 0.100 . 1 . . . A 47 CYS N . 17865 1 237 . 1 1 23 23 ARG H H 1 7.628 0.002 . 1 . . . A 48 ARG H . 17865 1 238 . 1 1 23 23 ARG HA H 1 4.080 0.004 . 1 . . . A 48 ARG HA . 17865 1 239 . 1 1 23 23 ARG HB2 H 1 1.902 0.007 . 1 . . . A 48 ARG HB2 . 17865 1 240 . 1 1 23 23 ARG HB3 H 1 1.902 0.007 . 1 . . . A 48 ARG HB3 . 17865 1 241 . 1 1 23 23 ARG HG2 H 1 1.707 0.006 . 1 . . . A 48 ARG HG2 . 17865 1 242 . 1 1 23 23 ARG HG3 H 1 1.707 0.006 . 1 . . . A 48 ARG HG3 . 17865 1 243 . 1 1 23 23 ARG HD2 H 1 3.226 0.008 . 1 . . . A 48 ARG HD2 . 17865 1 244 . 1 1 23 23 ARG HD3 H 1 3.226 0.008 . 1 . . . A 48 ARG HD3 . 17865 1 245 . 1 1 23 23 ARG C C 13 177.904 0.060 . 1 . . . A 48 ARG C . 17865 1 246 . 1 1 23 23 ARG CA C 13 58.907 0.134 . 1 . . . A 48 ARG CA . 17865 1 247 . 1 1 23 23 ARG CB C 13 30.171 0.092 . 1 . . . A 48 ARG CB . 17865 1 248 . 1 1 23 23 ARG CG C 13 27.477 0.063 . 1 . . . A 48 ARG CG . 17865 1 249 . 1 1 23 23 ARG CD C 13 43.517 0.022 . 1 . . . A 48 ARG CD . 17865 1 250 . 1 1 23 23 ARG N N 15 119.958 0.100 . 1 . . . A 48 ARG N . 17865 1 251 . 1 1 24 24 THR H H 1 7.307 0.002 . 1 . . . A 49 THR H . 17865 1 252 . 1 1 24 24 THR HA H 1 4.385 0.010 . 1 . . . A 49 THR HA . 17865 1 253 . 1 1 24 24 THR HB H 1 4.457 0.002 . 1 . . . A 49 THR HB . 17865 1 254 . 1 1 24 24 THR HG21 H 1 1.112 0.003 . 1 . . . A 49 THR HG21 . 17865 1 255 . 1 1 24 24 THR HG22 H 1 1.112 0.003 . 1 . . . A 49 THR HG22 . 17865 1 256 . 1 1 24 24 THR HG23 H 1 1.112 0.003 . 1 . . . A 49 THR HG23 . 17865 1 257 . 1 1 24 24 THR C C 13 174.758 0.100 . 1 . . . A 49 THR C . 17865 1 258 . 1 1 24 24 THR CA C 13 61.573 0.136 . 1 . . . A 49 THR CA . 17865 1 259 . 1 1 24 24 THR CB C 13 68.794 0.040 . 1 . . . A 49 THR CB . 17865 1 260 . 1 1 24 24 THR CG2 C 13 21.357 0.106 . 1 . . . A 49 THR CG2 . 17865 1 261 . 1 1 24 24 THR N N 15 106.445 0.517 . 1 . . . A 49 THR N . 17865 1 262 . 1 1 25 25 ALA H H 1 7.401 0.002 . 1 . . . A 50 ALA H . 17865 1 263 . 1 1 25 25 ALA HA H 1 4.404 0.015 . 1 . . . A 50 ALA HA . 17865 1 264 . 1 1 25 25 ALA HB1 H 1 1.202 0.003 . 1 . . . A 50 ALA HB1 . 17865 1 265 . 1 1 25 25 ALA HB2 H 1 1.202 0.003 . 1 . . . A 50 ALA HB2 . 17865 1 266 . 1 1 25 25 ALA HB3 H 1 1.202 0.003 . 1 . . . A 50 ALA HB3 . 17865 1 267 . 1 1 25 25 ALA C C 13 178.554 0.100 . 1 . . . A 50 ALA C . 17865 1 268 . 1 1 25 25 ALA CA C 13 52.381 0.112 . 1 . . . A 50 ALA CA . 17865 1 269 . 1 1 25 25 ALA CB C 13 18.395 0.066 . 1 . . . A 50 ALA CB . 17865 1 270 . 1 1 25 25 ALA N N 15 122.242 0.100 . 1 . . . A 50 ALA N . 17865 1 271 . 1 1 26 26 GLY H H 1 8.285 0.002 . 1 . . . A 51 GLY H . 17865 1 272 . 1 1 26 26 GLY HA2 H 1 3.995 0.013 . 2 . . . A 51 GLY HA2 . 17865 1 273 . 1 1 26 26 GLY HA3 H 1 3.780 0.018 . 2 . . . A 51 GLY HA3 . 17865 1 274 . 1 1 26 26 GLY CA C 13 47.022 0.086 . 1 . . . A 51 GLY CA . 17865 1 275 . 1 1 26 26 GLY N N 15 110.604 0.100 . 1 . . . A 51 GLY N . 17865 1 276 . 1 1 27 27 SER HA H 1 4.382 0.001 . 1 . . . A 52 SER HA . 17865 1 277 . 1 1 27 27 SER HB2 H 1 4.106 0.004 . 2 . . . A 52 SER HB2 . 17865 1 278 . 1 1 27 27 SER HB3 H 1 4.001 0.001 . 2 . . . A 52 SER HB3 . 17865 1 279 . 1 1 27 27 SER C C 13 175.774 0.035 . 1 . . . A 52 SER C . 17865 1 280 . 1 1 27 27 SER CA C 13 60.803 0.174 . 1 . . . A 52 SER CA . 17865 1 281 . 1 1 27 27 SER CB C 13 62.827 0.090 . 1 . . . A 52 SER CB . 17865 1 282 . 1 1 28 28 ARG H H 1 7.894 0.043 . 1 . . . A 53 ARG H . 17865 1 283 . 1 1 28 28 ARG HA H 1 4.880 0.009 . 1 . . . A 53 ARG HA . 17865 1 284 . 1 1 28 28 ARG HB2 H 1 2.547 0.003 . 2 . . . A 53 ARG HB2 . 17865 1 285 . 1 1 28 28 ARG HB3 H 1 1.966 0.004 . 2 . . . A 53 ARG HB3 . 17865 1 286 . 1 1 28 28 ARG HG2 H 1 1.784 0.006 . 2 . . . A 53 ARG HG2 . 17865 1 287 . 1 1 28 28 ARG HG3 H 1 1.870 0.009 . 2 . . . A 53 ARG HG3 . 17865 1 288 . 1 1 28 28 ARG HD2 H 1 3.365 0.012 . 1 . . . A 53 ARG HD2 . 17865 1 289 . 1 1 28 28 ARG HD3 H 1 3.365 0.012 . 1 . . . A 53 ARG HD3 . 17865 1 290 . 1 1 28 28 ARG C C 13 175.796 0.100 . 1 . . . A 53 ARG C . 17865 1 291 . 1 1 28 28 ARG CA C 13 55.738 0.091 . 1 . . . A 53 ARG CA . 17865 1 292 . 1 1 28 28 ARG CB C 13 30.237 0.064 . 1 . . . A 53 ARG CB . 17865 1 293 . 1 1 28 28 ARG CG C 13 27.178 0.053 . 1 . . . A 53 ARG CG . 17865 1 294 . 1 1 28 28 ARG CD C 13 44.142 0.075 . 1 . . . A 53 ARG CD . 17865 1 295 . 1 1 28 28 ARG N N 15 119.682 0.111 . 1 . . . A 53 ARG N . 17865 1 296 . 1 1 29 29 GLU H H 1 7.730 0.002 . 1 . . . A 54 GLU H . 17865 1 297 . 1 1 29 29 GLU HA H 1 3.595 0.004 . 1 . . . A 54 GLU HA . 17865 1 298 . 1 1 29 29 GLU HB2 H 1 1.948 0.003 . 2 . . . A 54 GLU HB2 . 17865 1 299 . 1 1 29 29 GLU HB3 H 1 2.188 0.008 . 2 . . . A 54 GLU HB3 . 17865 1 300 . 1 1 29 29 GLU HG2 H 1 2.087 0.014 . 2 . . . A 54 GLU HG2 . 17865 1 301 . 1 1 29 29 GLU HG3 H 1 1.954 0.007 . 2 . . . A 54 GLU HG3 . 17865 1 302 . 1 1 29 29 GLU C C 13 177.523 0.100 . 1 . . . A 54 GLU C . 17865 1 303 . 1 1 29 29 GLU CA C 13 61.223 0.125 . 1 . . . A 54 GLU CA . 17865 1 304 . 1 1 29 29 GLU CB C 13 28.937 0.075 . 1 . . . A 54 GLU CB . 17865 1 305 . 1 1 29 29 GLU CG C 13 35.856 0.029 . 1 . . . A 54 GLU CG . 17865 1 306 . 1 1 29 29 GLU N N 15 122.318 0.100 . 1 . . . A 54 GLU N . 17865 1 307 . 1 1 30 30 LYS H H 1 8.659 0.002 . 1 . . . A 55 LYS H . 17865 1 308 . 1 1 30 30 LYS HA H 1 3.828 0.006 . 1 . . . A 55 LYS HA . 17865 1 309 . 1 1 30 30 LYS HB2 H 1 1.857 0.003 . 2 . . . A 55 LYS HB2 . 17865 1 310 . 1 1 30 30 LYS HB3 H 1 1.800 0.001 . 2 . . . A 55 LYS HB3 . 17865 1 311 . 1 1 30 30 LYS HG2 H 1 1.486 0.002 . 2 . . . A 55 LYS HG2 . 17865 1 312 . 1 1 30 30 LYS HG3 H 1 1.340 0.015 . 2 . . . A 55 LYS HG3 . 17865 1 313 . 1 1 30 30 LYS HD2 H 1 1.654 0.003 . 1 . . . A 55 LYS HD2 . 17865 1 314 . 1 1 30 30 LYS HD3 H 1 1.654 0.003 . 1 . . . A 55 LYS HD3 . 17865 1 315 . 1 1 30 30 LYS HE2 H 1 2.968 0.001 . 1 . . . A 55 LYS HE2 . 17865 1 316 . 1 1 30 30 LYS HE3 H 1 2.968 0.001 . 1 . . . A 55 LYS HE3 . 17865 1 317 . 1 1 30 30 LYS C C 13 179.205 0.100 . 1 . . . A 55 LYS C . 17865 1 318 . 1 1 30 30 LYS CA C 13 60.427 0.103 . 1 . . . A 55 LYS CA . 17865 1 319 . 1 1 30 30 LYS CB C 13 31.601 0.038 . 1 . . . A 55 LYS CB . 17865 1 320 . 1 1 30 30 LYS CG C 13 25.029 0.053 . 1 . . . A 55 LYS CG . 17865 1 321 . 1 1 30 30 LYS CD C 13 29.446 0.059 . 1 . . . A 55 LYS CD . 17865 1 322 . 1 1 30 30 LYS CE C 13 42.156 0.097 . 1 . . . A 55 LYS CE . 17865 1 323 . 1 1 30 30 LYS N N 15 118.377 0.100 . 1 . . . A 55 LYS N . 17865 1 324 . 1 1 31 31 ASP H H 1 7.646 0.002 . 1 . . . A 56 ASP H . 17865 1 325 . 1 1 31 31 ASP HA H 1 4.311 0.009 . 1 . . . A 56 ASP HA . 17865 1 326 . 1 1 31 31 ASP HB2 H 1 2.949 0.005 . 2 . . . A 56 ASP HB2 . 17865 1 327 . 1 1 31 31 ASP HB3 H 1 2.748 0.006 . 2 . . . A 56 ASP HB3 . 17865 1 328 . 1 1 31 31 ASP C C 13 177.393 0.100 . 1 . . . A 56 ASP C . 17865 1 329 . 1 1 31 31 ASP CA C 13 57.316 0.106 . 1 . . . A 56 ASP CA . 17865 1 330 . 1 1 31 31 ASP CB C 13 40.423 0.060 . 1 . . . A 56 ASP CB . 17865 1 331 . 1 1 31 31 ASP N N 15 121.614 0.100 . 1 . . . A 56 ASP N . 17865 1 332 . 1 1 32 32 CYS H H 1 8.042 0.002 . 1 . . . A 57 CYS H . 17865 1 333 . 1 1 32 32 CYS HA H 1 3.601 0.002 . 1 . . . A 57 CYS HA . 17865 1 334 . 1 1 32 32 CYS HB2 H 1 1.181 0.001 . 2 . . . A 57 CYS HB2 . 17865 1 335 . 1 1 32 32 CYS HB3 H 1 2.909 0.001 . 2 . . . A 57 CYS HB3 . 17865 1 336 . 1 1 32 32 CYS C C 13 175.772 0.100 . 1 . . . A 57 CYS C . 17865 1 337 . 1 1 32 32 CYS CA C 13 60.197 0.122 . 1 . . . A 57 CYS CA . 17865 1 338 . 1 1 32 32 CYS CB C 13 33.966 0.014 . 1 . . . A 57 CYS CB . 17865 1 339 . 1 1 32 32 CYS N N 15 120.345 0.100 . 1 . . . A 57 CYS N . 17865 1 340 . 1 1 33 33 ARG H H 1 8.531 0.002 . 1 . . . A 58 ARG H . 17865 1 341 . 1 1 33 33 ARG HA H 1 3.676 0.003 . 1 . . . A 58 ARG HA . 17865 1 342 . 1 1 33 33 ARG HB2 H 1 1.784 0.013 . 1 . . . A 58 ARG HB2 . 17865 1 343 . 1 1 33 33 ARG HB3 H 1 1.784 0.013 . 1 . . . A 58 ARG HB3 . 17865 1 344 . 1 1 33 33 ARG HG2 H 1 1.411 0.004 . 1 . . . A 58 ARG HG2 . 17865 1 345 . 1 1 33 33 ARG HG3 H 1 1.411 0.004 . 1 . . . A 58 ARG HG3 . 17865 1 346 . 1 1 33 33 ARG HD2 H 1 3.062 0.007 . 2 . . . A 58 ARG HD2 . 17865 1 347 . 1 1 33 33 ARG HD3 H 1 3.140 0.006 . 2 . . . A 58 ARG HD3 . 17865 1 348 . 1 1 33 33 ARG C C 13 179.633 0.100 . 1 . . . A 58 ARG C . 17865 1 349 . 1 1 33 33 ARG CA C 13 60.386 0.101 . 1 . . . A 58 ARG CA . 17865 1 350 . 1 1 33 33 ARG CB C 13 29.841 0.020 . 1 . . . A 58 ARG CB . 17865 1 351 . 1 1 33 33 ARG CG C 13 29.848 0.053 . 1 . . . A 58 ARG CG . 17865 1 352 . 1 1 33 33 ARG CD C 13 43.459 0.070 . 1 . . . A 58 ARG CD . 17865 1 353 . 1 1 33 33 ARG N N 15 120.293 0.100 . 1 . . . A 58 ARG N . 17865 1 354 . 1 1 34 34 LYS H H 1 7.633 0.002 . 1 . . . A 59 LYS H . 17865 1 355 . 1 1 34 34 LYS HA H 1 4.036 0.003 . 1 . . . A 59 LYS HA . 17865 1 356 . 1 1 34 34 LYS HB2 H 1 1.948 0.012 . 1 . . . A 59 LYS HB2 . 17865 1 357 . 1 1 34 34 LYS HB3 H 1 1.948 0.012 . 1 . . . A 59 LYS HB3 . 17865 1 358 . 1 1 34 34 LYS HG2 H 1 1.573 0.007 . 2 . . . A 59 LYS HG2 . 17865 1 359 . 1 1 34 34 LYS HG3 H 1 1.410 0.012 . 2 . . . A 59 LYS HG3 . 17865 1 360 . 1 1 34 34 LYS HD2 H 1 1.692 0.008 . 1 . . . A 59 LYS HD2 . 17865 1 361 . 1 1 34 34 LYS HD3 H 1 1.692 0.008 . 1 . . . A 59 LYS HD3 . 17865 1 362 . 1 1 34 34 LYS HE2 H 1 2.955 0.005 . 1 . . . A 59 LYS HE2 . 17865 1 363 . 1 1 34 34 LYS HE3 H 1 2.955 0.005 . 1 . . . A 59 LYS HE3 . 17865 1 364 . 1 1 34 34 LYS C C 13 179.220 0.100 . 1 . . . A 59 LYS C . 17865 1 365 . 1 1 34 34 LYS CA C 13 59.530 0.132 . 1 . . . A 59 LYS CA . 17865 1 366 . 1 1 34 34 LYS CB C 13 32.110 0.071 . 1 . . . A 59 LYS CB . 17865 1 367 . 1 1 34 34 LYS CG C 13 24.922 0.031 . 1 . . . A 59 LYS CG . 17865 1 368 . 1 1 34 34 LYS CD C 13 29.434 0.023 . 1 . . . A 59 LYS CD . 17865 1 369 . 1 1 34 34 LYS CE C 13 42.105 0.013 . 1 . . . A 59 LYS CE . 17865 1 370 . 1 1 34 34 LYS N N 15 121.166 0.100 . 1 . . . A 59 LYS N . 17865 1 371 . 1 1 35 35 ASP H H 1 8.221 0.002 . 1 . . . A 60 ASP H . 17865 1 372 . 1 1 35 35 ASP HA H 1 4.431 0.012 . 1 . . . A 60 ASP HA . 17865 1 373 . 1 1 35 35 ASP HB2 H 1 2.612 0.008 . 2 . . . A 60 ASP HB2 . 17865 1 374 . 1 1 35 35 ASP HB3 H 1 2.978 0.007 . 2 . . . A 60 ASP HB3 . 17865 1 375 . 1 1 35 35 ASP C C 13 179.709 0.100 . 1 . . . A 60 ASP C . 17865 1 376 . 1 1 35 35 ASP CA C 13 57.703 0.112 . 1 . . . A 60 ASP CA . 17865 1 377 . 1 1 35 35 ASP CB C 13 40.672 0.158 . 1 . . . A 60 ASP CB . 17865 1 378 . 1 1 35 35 ASP N N 15 122.166 0.100 . 1 . . . A 60 ASP N . 17865 1 379 . 1 1 36 36 VAL H H 1 8.916 0.002 . 1 . . . A 61 VAL H . 17865 1 380 . 1 1 36 36 VAL HA H 1 3.401 0.003 . 1 . . . A 61 VAL HA . 17865 1 381 . 1 1 36 36 VAL HB H 1 2.074 0.018 . 1 . . . A 61 VAL HB . 17865 1 382 . 1 1 36 36 VAL HG11 H 1 0.724 0.019 . 1 . . . A 61 VAL HG11 . 17865 1 383 . 1 1 36 36 VAL HG12 H 1 0.724 0.019 . 1 . . . A 61 VAL HG12 . 17865 1 384 . 1 1 36 36 VAL HG13 H 1 0.724 0.019 . 1 . . . A 61 VAL HG13 . 17865 1 385 . 1 1 36 36 VAL HG21 H 1 1.019 0.002 . 1 . . . A 61 VAL HG21 . 17865 1 386 . 1 1 36 36 VAL HG22 H 1 1.019 0.002 . 1 . . . A 61 VAL HG22 . 17865 1 387 . 1 1 36 36 VAL HG23 H 1 1.019 0.002 . 1 . . . A 61 VAL HG23 . 17865 1 388 . 1 1 36 36 VAL C C 13 178.339 0.100 . 1 . . . A 61 VAL C . 17865 1 389 . 1 1 36 36 VAL CA C 13 67.133 0.151 . 1 . . . A 61 VAL CA . 17865 1 390 . 1 1 36 36 VAL CB C 13 31.657 0.061 . 1 . . . A 61 VAL CB . 17865 1 391 . 1 1 36 36 VAL CG1 C 13 21.593 0.066 . 2 . . . A 61 VAL CG1 . 17865 1 392 . 1 1 36 36 VAL CG2 C 13 24.716 0.063 . 2 . . . A 61 VAL CG2 . 17865 1 393 . 1 1 36 36 VAL N N 15 121.312 0.100 . 1 . . . A 61 VAL N . 17865 1 394 . 1 1 37 37 GLN H H 1 7.697 0.002 . 1 . . . A 62 GLN H . 17865 1 395 . 1 1 37 37 GLN HA H 1 3.942 0.005 . 1 . . . A 62 GLN HA . 17865 1 396 . 1 1 37 37 GLN HB2 H 1 2.142 0.011 . 1 . . . A 62 GLN HB2 . 17865 1 397 . 1 1 37 37 GLN HB3 H 1 2.142 0.011 . 1 . . . A 62 GLN HB3 . 17865 1 398 . 1 1 37 37 GLN HG2 H 1 2.398 0.001 . 2 . . . A 62 GLN HG2 . 17865 1 399 . 1 1 37 37 GLN HG3 H 1 2.450 0.003 . 2 . . . A 62 GLN HG3 . 17865 1 400 . 1 1 37 37 GLN HE21 H 1 6.806 0.002 . 2 . . . A 62 GLN HE21 . 17865 1 401 . 1 1 37 37 GLN HE22 H 1 7.441 0.002 . 2 . . . A 62 GLN HE22 . 17865 1 402 . 1 1 37 37 GLN C C 13 177.293 0.100 . 1 . . . A 62 GLN C . 17865 1 403 . 1 1 37 37 GLN CA C 13 58.280 0.081 . 1 . . . A 62 GLN CA . 17865 1 404 . 1 1 37 37 GLN CB C 13 28.371 0.045 . 1 . . . A 62 GLN CB . 17865 1 405 . 1 1 37 37 GLN CG C 13 33.832 0.053 . 1 . . . A 62 GLN CG . 17865 1 406 . 1 1 37 37 GLN N N 15 119.166 0.100 . 1 . . . A 62 GLN N . 17865 1 407 . 1 1 37 37 GLN NE2 N 15 111.707 0.002 . 1 . . . A 62 GLN NE2 . 17865 1 408 . 1 1 38 38 ALA H H 1 7.508 0.002 . 1 . . . A 63 ALA H . 17865 1 409 . 1 1 38 38 ALA HA H 1 4.242 0.004 . 1 . . . A 63 ALA HA . 17865 1 410 . 1 1 38 38 ALA HB1 H 1 1.493 0.005 . 1 . . . A 63 ALA HB1 . 17865 1 411 . 1 1 38 38 ALA HB2 H 1 1.493 0.005 . 1 . . . A 63 ALA HB2 . 17865 1 412 . 1 1 38 38 ALA HB3 H 1 1.493 0.005 . 1 . . . A 63 ALA HB3 . 17865 1 413 . 1 1 38 38 ALA C C 13 177.221 0.100 . 1 . . . A 63 ALA C . 17865 1 414 . 1 1 38 38 ALA CA C 13 53.137 0.126 . 1 . . . A 63 ALA CA . 17865 1 415 . 1 1 38 38 ALA CB C 13 18.897 0.110 . 1 . . . A 63 ALA CB . 17865 1 416 . 1 1 38 38 ALA N N 15 118.964 0.100 . 1 . . . A 63 ALA N . 17865 1 417 . 1 1 39 39 CYS H H 1 7.354 0.002 . 1 . . . A 64 CYS H . 17865 1 418 . 1 1 39 39 CYS HA H 1 4.953 0.007 . 1 . . . A 64 CYS HA . 17865 1 419 . 1 1 39 39 CYS HB2 H 1 2.994 0.010 . 2 . . . A 64 CYS HB2 . 17865 1 420 . 1 1 39 39 CYS HB3 H 1 2.683 0.013 . 2 . . . A 64 CYS HB3 . 17865 1 421 . 1 1 39 39 CYS C C 13 172.052 0.100 . 1 . . . A 64 CYS C . 17865 1 422 . 1 1 39 39 CYS CA C 13 51.880 0.051 . 1 . . . A 64 CYS CA . 17865 1 423 . 1 1 39 39 CYS CB C 13 34.328 0.154 . 1 . . . A 64 CYS CB . 17865 1 424 . 1 1 39 39 CYS N N 15 119.081 0.100 . 1 . . . A 64 CYS N . 17865 1 425 . 1 1 40 40 ASP H H 1 8.142 0.002 . 1 . . . A 65 ASP H . 17865 1 426 . 1 1 40 40 ASP HA H 1 4.325 0.008 . 1 . . . A 65 ASP HA . 17865 1 427 . 1 1 40 40 ASP HB2 H 1 2.708 0.001 . 2 . . . A 65 ASP HB2 . 17865 1 428 . 1 1 40 40 ASP HB3 H 1 2.676 0.001 . 2 . . . A 65 ASP HB3 . 17865 1 429 . 1 1 40 40 ASP C C 13 176.496 0.100 . 1 . . . A 65 ASP C . 17865 1 430 . 1 1 40 40 ASP CA C 13 56.724 0.089 . 1 . . . A 65 ASP CA . 17865 1 431 . 1 1 40 40 ASP CB C 13 41.313 0.037 . 1 . . . A 65 ASP CB . 17865 1 432 . 1 1 40 40 ASP N N 15 124.167 0.100 . 1 . . . A 65 ASP N . 17865 1 433 . 1 1 41 41 LYS H H 1 7.858 0.002 . 1 . . . A 66 LYS H . 17865 1 434 . 1 1 41 41 LYS HA H 1 4.524 0.003 . 1 . . . A 66 LYS HA . 17865 1 435 . 1 1 41 41 LYS HB2 H 1 1.784 0.001 . 2 . . . A 66 LYS HB2 . 17865 1 436 . 1 1 41 41 LYS HB3 H 1 1.702 0.002 . 2 . . . A 66 LYS HB3 . 17865 1 437 . 1 1 41 41 LYS HG2 H 1 1.433 0.010 . 2 . . . A 66 LYS HG2 . 17865 1 438 . 1 1 41 41 LYS HG3 H 1 1.316 0.005 . 2 . . . A 66 LYS HG3 . 17865 1 439 . 1 1 41 41 LYS HD2 H 1 1.702 0.006 . 1 . . . A 66 LYS HD2 . 17865 1 440 . 1 1 41 41 LYS HD3 H 1 1.702 0.006 . 1 . . . A 66 LYS HD3 . 17865 1 441 . 1 1 41 41 LYS HE2 H 1 3.013 0.002 . 1 . . . A 66 LYS HE2 . 17865 1 442 . 1 1 41 41 LYS HE3 H 1 3.013 0.002 . 1 . . . A 66 LYS HE3 . 17865 1 443 . 1 1 41 41 LYS C C 13 175.586 0.100 . 1 . . . A 66 LYS C . 17865 1 444 . 1 1 41 41 LYS CA C 13 55.275 0.119 . 1 . . . A 66 LYS CA . 17865 1 445 . 1 1 41 41 LYS CB C 13 32.598 0.093 . 1 . . . A 66 LYS CB . 17865 1 446 . 1 1 41 41 LYS CG C 13 24.783 0.032 . 1 . . . A 66 LYS CG . 17865 1 447 . 1 1 41 41 LYS CD C 13 29.317 0.053 . 1 . . . A 66 LYS CD . 17865 1 448 . 1 1 41 41 LYS CE C 13 42.242 0.032 . 1 . . . A 66 LYS CE . 17865 1 449 . 1 1 41 41 LYS N N 15 118.844 0.100 . 1 . . . A 66 LYS N . 17865 1 450 . 1 1 42 42 LYS H H 1 8.790 0.002 . 1 . . . A 67 LYS H . 17865 1 451 . 1 1 42 42 LYS HA H 1 3.915 0.002 . 1 . . . A 67 LYS HA . 17865 1 452 . 1 1 42 42 LYS HB2 H 1 1.574 0.002 . 1 . . . A 67 LYS HB2 . 17865 1 453 . 1 1 42 42 LYS HB3 H 1 1.574 0.002 . 1 . . . A 67 LYS HB3 . 17865 1 454 . 1 1 42 42 LYS HG2 H 1 1.213 0.005 . 2 . . . A 67 LYS HG2 . 17865 1 455 . 1 1 42 42 LYS HG3 H 1 1.432 0.008 . 2 . . . A 67 LYS HG3 . 17865 1 456 . 1 1 42 42 LYS HD2 H 1 1.614 0.001 . 2 . . . A 67 LYS HD2 . 17865 1 457 . 1 1 42 42 LYS HD3 H 1 1.590 0.001 . 2 . . . A 67 LYS HD3 . 17865 1 458 . 1 1 42 42 LYS HE2 H 1 2.750 0.003 . 2 . . . A 67 LYS HE2 . 17865 1 459 . 1 1 42 42 LYS HE3 H 1 3.013 0.002 . 2 . . . A 67 LYS HE3 . 17865 1 460 . 1 1 42 42 LYS C C 13 174.665 0.100 . 1 . . . A 67 LYS C . 17865 1 461 . 1 1 42 42 LYS CA C 13 57.827 0.120 . 1 . . . A 67 LYS CA . 17865 1 462 . 1 1 42 42 LYS CB C 13 34.059 0.143 . 1 . . . A 67 LYS CB . 17865 1 463 . 1 1 42 42 LYS CG C 13 26.544 0.030 . 1 . . . A 67 LYS CG . 17865 1 464 . 1 1 42 42 LYS CD C 13 29.317 0.053 . 1 . . . A 67 LYS CD . 17865 1 465 . 1 1 42 42 LYS CE C 13 43.209 0.097 . 1 . . . A 67 LYS CE . 17865 1 466 . 1 1 42 42 LYS N N 15 126.081 0.100 . 1 . . . A 67 LYS N . 17865 1 467 . 1 1 43 43 TYR H H 1 7.294 0.002 . 1 . . . A 68 TYR H . 17865 1 468 . 1 1 43 43 TYR HA H 1 5.259 0.002 . 1 . . . A 68 TYR HA . 17865 1 469 . 1 1 43 43 TYR HB2 H 1 2.627 0.002 . 2 . . . A 68 TYR HB2 . 17865 1 470 . 1 1 43 43 TYR HB3 H 1 2.818 0.002 . 2 . . . A 68 TYR HB3 . 17865 1 471 . 1 1 43 43 TYR HD1 H 1 6.919 0.004 . 3 . . . A 68 TYR HD1 . 17865 1 472 . 1 1 43 43 TYR HD2 H 1 6.919 0.004 . 3 . . . A 68 TYR HD2 . 17865 1 473 . 1 1 43 43 TYR HE1 H 1 6.729 0.002 . 3 . . . A 68 TYR HE1 . 17865 1 474 . 1 1 43 43 TYR HE2 H 1 6.729 0.002 . 3 . . . A 68 TYR HE2 . 17865 1 475 . 1 1 43 43 TYR C C 13 175.767 0.100 . 1 . . . A 68 TYR C . 17865 1 476 . 1 1 43 43 TYR CA C 13 55.880 0.116 . 1 . . . A 68 TYR CA . 17865 1 477 . 1 1 43 43 TYR CB C 13 42.363 0.005 . 1 . . . A 68 TYR CB . 17865 1 478 . 1 1 43 43 TYR CD1 C 13 133.617 0.122 . 1 . . . A 68 TYR CD1 . 17865 1 479 . 1 1 43 43 TYR CD2 C 13 133.617 0.122 . 1 . . . A 68 TYR CD2 . 17865 1 480 . 1 1 43 43 TYR N N 15 114.138 0.100 . 1 . . . A 68 TYR N . 17865 1 481 . 1 1 44 44 ASP H H 1 8.995 0.002 . 1 . . . A 69 ASP H . 17865 1 482 . 1 1 44 44 ASP HA H 1 4.640 0.009 . 1 . . . A 69 ASP HA . 17865 1 483 . 1 1 44 44 ASP HB2 H 1 2.550 0.017 . 2 . . . A 69 ASP HB2 . 17865 1 484 . 1 1 44 44 ASP HB3 H 1 3.352 0.013 . 2 . . . A 69 ASP HB3 . 17865 1 485 . 1 1 44 44 ASP C C 13 177.812 0.100 . 1 . . . A 69 ASP C . 17865 1 486 . 1 1 44 44 ASP CA C 13 52.110 0.140 . 1 . . . A 69 ASP CA . 17865 1 487 . 1 1 44 44 ASP CB C 13 41.440 0.027 . 1 . . . A 69 ASP CB . 17865 1 488 . 1 1 44 44 ASP N N 15 121.807 0.100 . 1 . . . A 69 ASP N . 17865 1 489 . 1 1 45 45 ASP H H 1 8.369 0.002 . 1 . . . A 70 ASP H . 17865 1 490 . 1 1 45 45 ASP HA H 1 4.424 0.007 . 1 . . . A 70 ASP HA . 17865 1 491 . 1 1 45 45 ASP HB2 H 1 2.736 0.006 . 1 . . . A 70 ASP HB2 . 17865 1 492 . 1 1 45 45 ASP HB3 H 1 2.736 0.006 . 1 . . . A 70 ASP HB3 . 17865 1 493 . 1 1 45 45 ASP C C 13 177.054 0.100 . 1 . . . A 70 ASP C . 17865 1 494 . 1 1 45 45 ASP CA C 13 56.381 0.053 . 1 . . . A 70 ASP CA . 17865 1 495 . 1 1 45 45 ASP CB C 13 40.248 0.129 . 1 . . . A 70 ASP CB . 17865 1 496 . 1 1 45 45 ASP N N 15 116.686 0.100 . 1 . . . A 70 ASP N . 17865 1 497 . 1 1 46 46 GLN H H 1 8.274 0.002 . 1 . . . A 71 GLN H . 17865 1 498 . 1 1 46 46 GLN HA H 1 4.456 0.013 . 1 . . . A 71 GLN HA . 17865 1 499 . 1 1 46 46 GLN HB2 H 1 2.006 0.008 . 2 . . . A 71 GLN HB2 . 17865 1 500 . 1 1 46 46 GLN HB3 H 1 2.311 0.003 . 2 . . . A 71 GLN HB3 . 17865 1 501 . 1 1 46 46 GLN HG2 H 1 2.308 0.011 . 1 . . . A 71 GLN HG2 . 17865 1 502 . 1 1 46 46 GLN HG3 H 1 2.308 0.011 . 1 . . . A 71 GLN HG3 . 17865 1 503 . 1 1 46 46 GLN HE21 H 1 6.758 0.002 . 2 . . . A 71 GLN HE21 . 17865 1 504 . 1 1 46 46 GLN HE22 H 1 7.539 0.002 . 2 . . . A 71 GLN HE22 . 17865 1 505 . 1 1 46 46 GLN C C 13 176.273 0.100 . 1 . . . A 71 GLN C . 17865 1 506 . 1 1 46 46 GLN CA C 13 55.367 0.146 . 1 . . . A 71 GLN CA . 17865 1 507 . 1 1 46 46 GLN CB C 13 29.330 0.027 . 1 . . . A 71 GLN CB . 17865 1 508 . 1 1 46 46 GLN CG C 13 34.293 0.074 . 1 . . . A 71 GLN CG . 17865 1 509 . 1 1 46 46 GLN N N 15 117.949 0.100 . 1 . . . A 71 GLN N . 17865 1 510 . 1 1 46 46 GLN NE2 N 15 112.670 0.001 . 1 . . . A 71 GLN NE2 . 17865 1 511 . 1 1 47 47 GLY H H 1 8.174 0.002 . 1 . . . A 72 GLY H . 17865 1 512 . 1 1 47 47 GLY HA2 H 1 3.554 0.003 . 2 . . . A 72 GLY HA2 . 17865 1 513 . 1 1 47 47 GLY HA3 H 1 4.089 0.005 . 2 . . . A 72 GLY HA3 . 17865 1 514 . 1 1 47 47 GLY C C 13 174.145 0.100 . 1 . . . A 72 GLY C . 17865 1 515 . 1 1 47 47 GLY CA C 13 45.823 0.057 . 1 . . . A 72 GLY CA . 17865 1 516 . 1 1 47 47 GLY N N 15 108.369 0.100 . 1 . . . A 72 GLY N . 17865 1 517 . 1 1 48 48 ARG H H 1 8.462 0.002 . 1 . . . A 73 ARG H . 17865 1 518 . 1 1 48 48 ARG HA H 1 4.485 0.010 . 1 . . . A 73 ARG HA . 17865 1 519 . 1 1 48 48 ARG HB2 H 1 1.798 0.010 . 2 . . . A 73 ARG HB2 . 17865 1 520 . 1 1 48 48 ARG HB3 H 1 2.057 0.006 . 2 . . . A 73 ARG HB3 . 17865 1 521 . 1 1 48 48 ARG HG2 H 1 1.589 0.006 . 1 . . . A 73 ARG HG2 . 17865 1 522 . 1 1 48 48 ARG HG3 H 1 1.589 0.006 . 1 . . . A 73 ARG HG3 . 17865 1 523 . 1 1 48 48 ARG HD2 H 1 3.129 0.007 . 2 . . . A 73 ARG HD2 . 17865 1 524 . 1 1 48 48 ARG HD3 H 1 3.217 0.004 . 2 . . . A 73 ARG HD3 . 17865 1 525 . 1 1 48 48 ARG C C 13 176.855 0.100 . 1 . . . A 73 ARG C . 17865 1 526 . 1 1 48 48 ARG CA C 13 55.289 0.096 . 1 . . . A 73 ARG CA . 17865 1 527 . 1 1 48 48 ARG CB C 13 30.558 0.051 . 1 . . . A 73 ARG CB . 17865 1 528 . 1 1 48 48 ARG CG C 13 27.332 0.054 . 1 . . . A 73 ARG CG . 17865 1 529 . 1 1 48 48 ARG CD C 13 43.341 0.019 . 1 . . . A 73 ARG CD . 17865 1 530 . 1 1 48 48 ARG N N 15 121.554 0.100 . 1 . . . A 73 ARG N . 17865 1 531 . 1 1 49 49 GLU H H 1 8.703 0.002 . 1 . . . A 74 GLU H . 17865 1 532 . 1 1 49 49 GLU HA H 1 4.483 0.002 . 1 . . . A 74 GLU HA . 17865 1 533 . 1 1 49 49 GLU HB2 H 1 1.944 0.003 . 2 . . . A 74 GLU HB2 . 17865 1 534 . 1 1 49 49 GLU HB3 H 1 1.934 0.006 . 2 . . . A 74 GLU HB3 . 17865 1 535 . 1 1 49 49 GLU HG2 H 1 2.203 0.009 . 2 . . . A 74 GLU HG2 . 17865 1 536 . 1 1 49 49 GLU HG3 H 1 2.359 0.005 . 2 . . . A 74 GLU HG3 . 17865 1 537 . 1 1 49 49 GLU C C 13 178.098 0.100 . 1 . . . A 74 GLU C . 17865 1 538 . 1 1 49 49 GLU CA C 13 57.184 0.163 . 1 . . . A 74 GLU CA . 17865 1 539 . 1 1 49 49 GLU CB C 13 30.777 0.036 . 1 . . . A 74 GLU CB . 17865 1 540 . 1 1 49 49 GLU CG C 13 38.002 0.037 . 1 . . . A 74 GLU CG . 17865 1 541 . 1 1 49 49 GLU N N 15 122.784 0.100 . 1 . . . A 74 GLU N . 17865 1 542 . 1 1 50 50 THR H H 1 7.717 0.002 . 1 . . . A 75 THR H . 17865 1 543 . 1 1 50 50 THR HA H 1 4.212 0.007 . 1 . . . A 75 THR HA . 17865 1 544 . 1 1 50 50 THR HB H 1 4.625 0.003 . 1 . . . A 75 THR HB . 17865 1 545 . 1 1 50 50 THR HG21 H 1 0.926 0.003 . 1 . . . A 75 THR HG21 . 17865 1 546 . 1 1 50 50 THR HG22 H 1 0.926 0.003 . 1 . . . A 75 THR HG22 . 17865 1 547 . 1 1 50 50 THR HG23 H 1 0.926 0.003 . 1 . . . A 75 THR HG23 . 17865 1 548 . 1 1 50 50 THR C C 13 175.170 0.100 . 1 . . . A 75 THR C . 17865 1 549 . 1 1 50 50 THR CA C 13 60.589 0.132 . 1 . . . A 75 THR CA . 17865 1 550 . 1 1 50 50 THR CB C 13 70.952 0.137 . 1 . . . A 75 THR CB . 17865 1 551 . 1 1 50 50 THR CG2 C 13 22.163 0.151 . 1 . . . A 75 THR CG2 . 17865 1 552 . 1 1 50 50 THR N N 15 114.563 0.100 . 1 . . . A 75 THR N . 17865 1 553 . 1 1 51 51 ALA H H 1 8.734 0.002 . 1 . . . A 76 ALA H . 17865 1 554 . 1 1 51 51 ALA HA H 1 4.038 0.014 . 1 . . . A 76 ALA HA . 17865 1 555 . 1 1 51 51 ALA HB1 H 1 1.428 0.004 . 1 . . . A 76 ALA HB1 . 17865 1 556 . 1 1 51 51 ALA HB2 H 1 1.428 0.004 . 1 . . . A 76 ALA HB2 . 17865 1 557 . 1 1 51 51 ALA HB3 H 1 1.428 0.004 . 1 . . . A 76 ALA HB3 . 17865 1 558 . 1 1 51 51 ALA C C 13 181.906 0.100 . 1 . . . A 76 ALA C . 17865 1 559 . 1 1 51 51 ALA CA C 13 55.654 0.158 . 1 . . . A 76 ALA CA . 17865 1 560 . 1 1 51 51 ALA CB C 13 17.993 0.147 . 1 . . . A 76 ALA CB . 17865 1 561 . 1 1 51 51 ALA N N 15 122.097 0.100 . 1 . . . A 76 ALA N . 17865 1 562 . 1 1 52 52 CYS H H 1 9.073 0.002 . 1 . . . A 77 CYS H . 17865 1 563 . 1 1 52 52 CYS HA H 1 4.480 0.005 . 1 . . . A 77 CYS HA . 17865 1 564 . 1 1 52 52 CYS HB2 H 1 3.035 0.011 . 2 . . . A 77 CYS HB2 . 17865 1 565 . 1 1 52 52 CYS HB3 H 1 3.262 0.014 . 2 . . . A 77 CYS HB3 . 17865 1 566 . 1 1 52 52 CYS C C 13 176.299 0.100 . 1 . . . A 77 CYS C . 17865 1 567 . 1 1 52 52 CYS CA C 13 57.701 0.101 . 1 . . . A 77 CYS CA . 17865 1 568 . 1 1 52 52 CYS CB C 13 35.631 0.117 . 1 . . . A 77 CYS CB . 17865 1 569 . 1 1 52 52 CYS N N 15 115.347 0.100 . 1 . . . A 77 CYS N . 17865 1 570 . 1 1 53 53 ALA H H 1 7.174 0.002 . 1 . . . A 78 ALA H . 17865 1 571 . 1 1 53 53 ALA HA H 1 3.855 0.014 . 1 . . . A 78 ALA HA . 17865 1 572 . 1 1 53 53 ALA HB1 H 1 1.397 0.005 . 1 . . . A 78 ALA HB1 . 17865 1 573 . 1 1 53 53 ALA HB2 H 1 1.397 0.005 . 1 . . . A 78 ALA HB2 . 17865 1 574 . 1 1 53 53 ALA HB3 H 1 1.397 0.005 . 1 . . . A 78 ALA HB3 . 17865 1 575 . 1 1 53 53 ALA C C 13 178.736 0.100 . 1 . . . A 78 ALA C . 17865 1 576 . 1 1 53 53 ALA CA C 13 55.633 0.187 . 1 . . . A 78 ALA CA . 17865 1 577 . 1 1 53 53 ALA CB C 13 19.191 0.129 . 1 . . . A 78 ALA CB . 17865 1 578 . 1 1 53 53 ALA N N 15 128.517 0.100 . 1 . . . A 78 ALA N . 17865 1 579 . 1 1 54 54 LYS H H 1 8.313 0.002 . 1 . . . A 79 LYS H . 17865 1 580 . 1 1 54 54 LYS HA H 1 3.803 0.007 . 1 . . . A 79 LYS HA . 17865 1 581 . 1 1 54 54 LYS HB2 H 1 1.751 0.009 . 1 . . . A 79 LYS HB2 . 17865 1 582 . 1 1 54 54 LYS HB3 H 1 1.751 0.009 . 1 . . . A 79 LYS HB3 . 17865 1 583 . 1 1 54 54 LYS HG2 H 1 1.337 0.003 . 2 . . . A 79 LYS HG2 . 17865 1 584 . 1 1 54 54 LYS HG3 H 1 1.431 0.001 . 2 . . . A 79 LYS HG3 . 17865 1 585 . 1 1 54 54 LYS HD2 H 1 1.599 0.003 . 1 . . . A 79 LYS HD2 . 17865 1 586 . 1 1 54 54 LYS HD3 H 1 1.599 0.003 . 1 . . . A 79 LYS HD3 . 17865 1 587 . 1 1 54 54 LYS HE2 H 1 2.920 0.003 . 2 . . . A 79 LYS HE2 . 17865 1 588 . 1 1 54 54 LYS HE3 H 1 2.881 0.004 . 2 . . . A 79 LYS HE3 . 17865 1 589 . 1 1 54 54 LYS C C 13 179.611 0.100 . 1 . . . A 79 LYS C . 17865 1 590 . 1 1 54 54 LYS CA C 13 59.725 0.078 . 1 . . . A 79 LYS CA . 17865 1 591 . 1 1 54 54 LYS CB C 13 32.653 0.103 . 1 . . . A 79 LYS CB . 17865 1 592 . 1 1 54 54 LYS CG C 13 25.315 0.030 . 1 . . . A 79 LYS CG . 17865 1 593 . 1 1 54 54 LYS CD C 13 29.518 0.036 . 1 . . . A 79 LYS CD . 17865 1 594 . 1 1 54 54 LYS CE C 13 41.917 0.097 . 1 . . . A 79 LYS CE . 17865 1 595 . 1 1 54 54 LYS N N 15 118.706 0.100 . 1 . . . A 79 LYS N . 17865 1 596 . 1 1 55 55 GLY H H 1 8.175 0.002 . 1 . . . A 80 GLY H . 17865 1 597 . 1 1 55 55 GLY HA2 H 1 3.791 0.005 . 1 . . . A 80 GLY HA2 . 17865 1 598 . 1 1 55 55 GLY HA3 H 1 3.791 0.005 . 1 . . . A 80 GLY HA3 . 17865 1 599 . 1 1 55 55 GLY C C 13 176.504 0.100 . 1 . . . A 80 GLY C . 17865 1 600 . 1 1 55 55 GLY CA C 13 46.839 0.075 . 1 . . . A 80 GLY CA . 17865 1 601 . 1 1 55 55 GLY N N 15 104.822 0.100 . 1 . . . A 80 GLY N . 17865 1 602 . 1 1 56 56 ILE H H 1 7.590 0.002 . 1 . . . A 81 ILE H . 17865 1 603 . 1 1 56 56 ILE HA H 1 3.795 0.002 . 1 . . . A 81 ILE HA . 17865 1 604 . 1 1 56 56 ILE HB H 1 1.913 0.005 . 1 . . . A 81 ILE HB . 17865 1 605 . 1 1 56 56 ILE HG12 H 1 1.095 0.004 . 2 . . . A 81 ILE HG12 . 17865 1 606 . 1 1 56 56 ILE HG13 H 1 1.974 0.009 . 2 . . . A 81 ILE HG13 . 17865 1 607 . 1 1 56 56 ILE HG21 H 1 0.963 0.004 . 1 . . . A 81 ILE HG21 . 17865 1 608 . 1 1 56 56 ILE HG22 H 1 0.963 0.004 . 1 . . . A 81 ILE HG22 . 17865 1 609 . 1 1 56 56 ILE HG23 H 1 0.963 0.004 . 1 . . . A 81 ILE HG23 . 17865 1 610 . 1 1 56 56 ILE HD11 H 1 0.766 0.003 . 1 . . . A 81 ILE HD11 . 17865 1 611 . 1 1 56 56 ILE HD12 H 1 0.766 0.003 . 1 . . . A 81 ILE HD12 . 17865 1 612 . 1 1 56 56 ILE HD13 H 1 0.766 0.003 . 1 . . . A 81 ILE HD13 . 17865 1 613 . 1 1 56 56 ILE C C 13 177.334 0.001 . 1 . . . A 81 ILE C . 17865 1 614 . 1 1 56 56 ILE CA C 13 65.281 0.088 . 1 . . . A 81 ILE CA . 17865 1 615 . 1 1 56 56 ILE CB C 13 38.335 0.080 . 1 . . . A 81 ILE CB . 17865 1 616 . 1 1 56 56 ILE CG1 C 13 30.746 0.062 . 1 . . . A 81 ILE CG1 . 17865 1 617 . 1 1 56 56 ILE CG2 C 13 19.035 0.041 . 1 . . . A 81 ILE CG2 . 17865 1 618 . 1 1 56 56 ILE CD1 C 13 14.445 0.035 . 1 . . . A 81 ILE CD1 . 17865 1 619 . 1 1 56 56 ILE N N 15 123.697 0.100 . 1 . . . A 81 ILE N . 17865 1 620 . 1 1 57 57 ARG H H 1 7.569 0.048 . 1 . . . A 82 ARG H . 17865 1 621 . 1 1 57 57 ARG HA H 1 3.935 0.009 . 1 . . . A 82 ARG HA . 17865 1 622 . 1 1 57 57 ARG HB2 H 1 1.782 0.020 . 1 . . . A 82 ARG HB2 . 17865 1 623 . 1 1 57 57 ARG HB3 H 1 1.782 0.020 . 1 . . . A 82 ARG HB3 . 17865 1 624 . 1 1 57 57 ARG HG2 H 1 1.281 0.005 . 2 . . . A 82 ARG HG2 . 17865 1 625 . 1 1 57 57 ARG HG3 H 1 1.585 0.004 . 2 . . . A 82 ARG HG3 . 17865 1 626 . 1 1 57 57 ARG HD2 H 1 3.022 0.003 . 1 . . . A 82 ARG HD2 . 17865 1 627 . 1 1 57 57 ARG HD3 H 1 3.022 0.003 . 1 . . . A 82 ARG HD3 . 17865 1 628 . 1 1 57 57 ARG C C 13 178.662 0.105 . 1 . . . A 82 ARG C . 17865 1 629 . 1 1 57 57 ARG CA C 13 59.702 0.149 . 1 . . . A 82 ARG CA . 17865 1 630 . 1 1 57 57 ARG CB C 13 29.899 0.134 . 1 . . . A 82 ARG CB . 17865 1 631 . 1 1 57 57 ARG CG C 13 27.908 0.034 . 1 . . . A 82 ARG CG . 17865 1 632 . 1 1 57 57 ARG CD C 13 43.278 0.053 . 1 . . . A 82 ARG CD . 17865 1 633 . 1 1 57 57 ARG N N 15 118.161 0.088 . 1 . . . A 82 ARG N . 17865 1 634 . 1 1 58 58 GLU H H 1 7.786 0.042 . 1 . . . A 83 GLU H . 17865 1 635 . 1 1 58 58 GLU HA H 1 4.031 0.006 . 1 . . . A 83 GLU HA . 17865 1 636 . 1 1 58 58 GLU HB2 H 1 1.980 0.012 . 1 . . . A 83 GLU HB2 . 17865 1 637 . 1 1 58 58 GLU HB3 H 1 1.980 0.012 . 1 . . . A 83 GLU HB3 . 17865 1 638 . 1 1 58 58 GLU HG2 H 1 2.332 0.005 . 2 . . . A 83 GLU HG2 . 17865 1 639 . 1 1 58 58 GLU HG3 H 1 2.236 0.014 . 2 . . . A 83 GLU HG3 . 17865 1 640 . 1 1 58 58 GLU C C 13 178.224 0.025 . 1 . . . A 83 GLU C . 17865 1 641 . 1 1 58 58 GLU CA C 13 58.304 0.080 . 1 . . . A 83 GLU CA . 17865 1 642 . 1 1 58 58 GLU CB C 13 30.031 0.097 . 1 . . . A 83 GLU CB . 17865 1 643 . 1 1 58 58 GLU CG C 13 36.170 0.019 . 1 . . . A 83 GLU CG . 17865 1 644 . 1 1 58 58 GLU N N 15 115.085 0.196 . 1 . . . A 83 GLU N . 17865 1 645 . 1 1 59 59 LYS H H 1 7.968 0.042 . 1 . . . A 84 LYS H . 17865 1 646 . 1 1 59 59 LYS HA H 1 3.830 0.005 . 1 . . . A 84 LYS HA . 17865 1 647 . 1 1 59 59 LYS HB2 H 1 1.244 0.002 . 2 . . . A 84 LYS HB2 . 17865 1 648 . 1 1 59 59 LYS HB3 H 1 1.220 0.018 . 2 . . . A 84 LYS HB3 . 17865 1 649 . 1 1 59 59 LYS HG2 H 1 0.192 0.005 . 2 . . . A 84 LYS HG2 . 17865 1 650 . 1 1 59 59 LYS HG3 H 1 0.984 0.016 . 2 . . . A 84 LYS HG3 . 17865 1 651 . 1 1 59 59 LYS HD2 H 1 1.361 0.006 . 1 . . . A 84 LYS HD2 . 17865 1 652 . 1 1 59 59 LYS HD3 H 1 1.361 0.006 . 1 . . . A 84 LYS HD3 . 17865 1 653 . 1 1 59 59 LYS HE2 H 1 2.734 0.002 . 1 . . . A 84 LYS HE2 . 17865 1 654 . 1 1 59 59 LYS HE3 H 1 2.734 0.002 . 1 . . . A 84 LYS HE3 . 17865 1 655 . 1 1 59 59 LYS C C 13 177.933 0.100 . 1 . . . A 84 LYS C . 17865 1 656 . 1 1 59 59 LYS CA C 13 59.043 0.147 . 1 . . . A 84 LYS CA . 17865 1 657 . 1 1 59 59 LYS CB C 13 33.650 0.021 . 1 . . . A 84 LYS CB . 17865 1 658 . 1 1 59 59 LYS CG C 13 24.872 0.035 . 1 . . . A 84 LYS CG . 17865 1 659 . 1 1 59 59 LYS CD C 13 29.838 0.053 . 1 . . . A 84 LYS CD . 17865 1 660 . 1 1 59 59 LYS CE C 13 42.056 0.031 . 1 . . . A 84 LYS CE . 17865 1 661 . 1 1 59 59 LYS N N 15 119.183 0.244 . 1 . . . A 84 LYS N . 17865 1 662 . 1 1 60 60 TYR H H 1 7.562 0.023 . 1 . . . A 85 TYR H . 17865 1 663 . 1 1 60 60 TYR HA H 1 4.703 0.020 . 1 . . . A 85 TYR HA . 17865 1 664 . 1 1 60 60 TYR HB2 H 1 2.814 0.006 . 2 . . . A 85 TYR HB2 . 17865 1 665 . 1 1 60 60 TYR HB3 H 1 3.208 0.002 . 2 . . . A 85 TYR HB3 . 17865 1 666 . 1 1 60 60 TYR HD1 H 1 7.362 0.005 . 3 . . . A 85 TYR HD1 . 17865 1 667 . 1 1 60 60 TYR HD2 H 1 7.362 0.005 . 3 . . . A 85 TYR HD2 . 17865 1 668 . 1 1 60 60 TYR HE1 H 1 6.912 0.012 . 3 . . . A 85 TYR HE1 . 17865 1 669 . 1 1 60 60 TYR HE2 H 1 6.912 0.012 . 3 . . . A 85 TYR HE2 . 17865 1 670 . 1 1 60 60 TYR C C 13 174.729 0.100 . 1 . . . A 85 TYR C . 17865 1 671 . 1 1 60 60 TYR CA C 13 57.202 0.149 . 1 . . . A 85 TYR CA . 17865 1 672 . 1 1 60 60 TYR CB C 13 37.902 0.110 . 1 . . . A 85 TYR CB . 17865 1 673 . 1 1 60 60 TYR CD1 C 13 133.458 0.145 . 1 . . . A 85 TYR CD1 . 17865 1 674 . 1 1 60 60 TYR CD2 C 13 133.458 0.145 . 1 . . . A 85 TYR CD2 . 17865 1 675 . 1 1 60 60 TYR CE1 C 13 117.585 0.102 . 1 . . . A 85 TYR CE1 . 17865 1 676 . 1 1 60 60 TYR CE2 C 13 117.585 0.102 . 1 . . . A 85 TYR CE2 . 17865 1 677 . 1 1 60 60 TYR N N 15 113.663 0.211 . 1 . . . A 85 TYR N . 17865 1 678 . 1 1 61 61 LYS H H 1 7.222 0.002 . 1 . . . A 86 LYS H . 17865 1 679 . 1 1 61 61 LYS HA H 1 4.512 0.006 . 1 . . . A 86 LYS HA . 17865 1 680 . 1 1 61 61 LYS HB2 H 1 1.949 0.008 . 1 . . . A 86 LYS HB2 . 17865 1 681 . 1 1 61 61 LYS HB3 H 1 1.949 0.008 . 1 . . . A 86 LYS HB3 . 17865 1 682 . 1 1 61 61 LYS HG2 H 1 1.423 0.002 . 2 . . . A 86 LYS HG2 . 17865 1 683 . 1 1 61 61 LYS HG3 H 1 1.477 0.012 . 2 . . . A 86 LYS HG3 . 17865 1 684 . 1 1 61 61 LYS HD2 H 1 1.691 0.012 . 1 . . . A 86 LYS HD2 . 17865 1 685 . 1 1 61 61 LYS HD3 H 1 1.691 0.012 . 1 . . . A 86 LYS HD3 . 17865 1 686 . 1 1 61 61 LYS HE2 H 1 2.969 0.003 . 1 . . . A 86 LYS HE2 . 17865 1 687 . 1 1 61 61 LYS HE3 H 1 2.969 0.003 . 1 . . . A 86 LYS HE3 . 17865 1 688 . 1 1 61 61 LYS CA C 13 54.942 0.123 . 1 . . . A 86 LYS CA . 17865 1 689 . 1 1 61 61 LYS CB C 13 32.102 0.012 . 1 . . . A 86 LYS CB . 17865 1 690 . 1 1 61 61 LYS CG C 13 24.088 0.053 . 1 . . . A 86 LYS CG . 17865 1 691 . 1 1 61 61 LYS CD C 13 29.774 0.053 . 1 . . . A 86 LYS CD . 17865 1 692 . 1 1 61 61 LYS CE C 13 42.050 0.097 . 1 . . . A 86 LYS CE . 17865 1 693 . 1 1 61 61 LYS N N 15 121.862 0.100 . 1 . . . A 86 LYS N . 17865 1 694 . 1 1 62 62 PRO HA H 1 4.323 0.008 . 1 . . . A 87 PRO HA . 17865 1 695 . 1 1 62 62 PRO HB2 H 1 1.746 0.001 . 1 . . . A 87 PRO HB2 . 17865 1 696 . 1 1 62 62 PRO HB3 H 1 1.746 0.001 . 1 . . . A 87 PRO HB3 . 17865 1 697 . 1 1 62 62 PRO HG2 H 1 1.923 0.009 . 2 . . . A 87 PRO HG2 . 17865 1 698 . 1 1 62 62 PRO HG3 H 1 2.123 0.001 . 2 . . . A 87 PRO HG3 . 17865 1 699 . 1 1 62 62 PRO HD2 H 1 4.009 0.001 . 2 . . . A 87 PRO HD2 . 17865 1 700 . 1 1 62 62 PRO HD3 H 1 3.704 0.001 . 2 . . . A 87 PRO HD3 . 17865 1 701 . 1 1 62 62 PRO C C 13 176.576 0.100 . 1 . . . A 87 PRO C . 17865 1 702 . 1 1 62 62 PRO CA C 13 63.020 0.134 . 1 . . . A 87 PRO CA . 17865 1 703 . 1 1 62 62 PRO CB C 13 32.240 0.041 . 1 . . . A 87 PRO CB . 17865 1 704 . 1 1 62 62 PRO CG C 13 27.778 0.052 . 1 . . . A 87 PRO CG . 17865 1 705 . 1 1 62 62 PRO CD C 13 50.652 0.018 . 1 . . . A 87 PRO CD . 17865 1 706 . 1 1 63 63 ALA H H 1 8.329 0.002 . 1 . . . A 88 ALA H . 17865 1 707 . 1 1 63 63 ALA HA H 1 4.254 0.014 . 1 . . . A 88 ALA HA . 17865 1 708 . 1 1 63 63 ALA HB1 H 1 1.311 0.002 . 1 . . . A 88 ALA HB1 . 17865 1 709 . 1 1 63 63 ALA HB2 H 1 1.311 0.002 . 1 . . . A 88 ALA HB2 . 17865 1 710 . 1 1 63 63 ALA HB3 H 1 1.311 0.002 . 1 . . . A 88 ALA HB3 . 17865 1 711 . 1 1 63 63 ALA C C 13 177.301 0.100 . 1 . . . A 88 ALA C . 17865 1 712 . 1 1 63 63 ALA CA C 13 52.281 0.095 . 1 . . . A 88 ALA CA . 17865 1 713 . 1 1 63 63 ALA CB C 13 19.202 0.032 . 1 . . . A 88 ALA CB . 17865 1 714 . 1 1 63 63 ALA N N 15 125.029 0.100 . 1 . . . A 88 ALA N . 17865 1 715 . 1 1 64 64 VAL H H 1 8.075 0.002 . 1 . . . A 89 VAL H . 17865 1 716 . 1 1 64 64 VAL HA H 1 3.944 0.007 . 1 . . . A 89 VAL HA . 17865 1 717 . 1 1 64 64 VAL HB H 1 1.747 0.011 . 1 . . . A 89 VAL HB . 17865 1 718 . 1 1 64 64 VAL HG11 H 1 0.472 0.005 . 1 . . . A 89 VAL HG11 . 17865 1 719 . 1 1 64 64 VAL HG12 H 1 0.472 0.005 . 1 . . . A 89 VAL HG12 . 17865 1 720 . 1 1 64 64 VAL HG13 H 1 0.472 0.005 . 1 . . . A 89 VAL HG13 . 17865 1 721 . 1 1 64 64 VAL HG21 H 1 0.429 0.005 . 1 . . . A 89 VAL HG21 . 17865 1 722 . 1 1 64 64 VAL HG22 H 1 0.429 0.005 . 1 . . . A 89 VAL HG22 . 17865 1 723 . 1 1 64 64 VAL HG23 H 1 0.429 0.005 . 1 . . . A 89 VAL HG23 . 17865 1 724 . 1 1 64 64 VAL C C 13 174.791 0.100 . 1 . . . A 89 VAL C . 17865 1 725 . 1 1 64 64 VAL CA C 13 61.981 0.250 . 1 . . . A 89 VAL CA . 17865 1 726 . 1 1 64 64 VAL CB C 13 33.485 0.156 . 1 . . . A 89 VAL CB . 17865 1 727 . 1 1 64 64 VAL CG1 C 13 21.004 0.053 . 2 . . . A 89 VAL CG1 . 17865 1 728 . 1 1 64 64 VAL CG2 C 13 20.986 0.035 . 2 . . . A 89 VAL CG2 . 17865 1 729 . 1 1 64 64 VAL N N 15 121.843 0.100 . 1 . . . A 89 VAL N . 17865 1 730 . 1 1 65 65 VAL H H 1 8.229 0.002 . 1 . . . A 90 VAL H . 17865 1 731 . 1 1 65 65 VAL HA H 1 4.138 0.004 . 1 . . . A 90 VAL HA . 17865 1 732 . 1 1 65 65 VAL HB H 1 1.804 0.012 . 1 . . . A 90 VAL HB . 17865 1 733 . 1 1 65 65 VAL HG11 H 1 0.912 0.001 . 1 . . . A 90 VAL HG11 . 17865 1 734 . 1 1 65 65 VAL HG12 H 1 0.912 0.001 . 1 . . . A 90 VAL HG12 . 17865 1 735 . 1 1 65 65 VAL HG13 H 1 0.912 0.001 . 1 . . . A 90 VAL HG13 . 17865 1 736 . 1 1 65 65 VAL HG21 H 1 0.812 0.003 . 1 . . . A 90 VAL HG21 . 17865 1 737 . 1 1 65 65 VAL HG22 H 1 0.812 0.003 . 1 . . . A 90 VAL HG22 . 17865 1 738 . 1 1 65 65 VAL HG23 H 1 0.812 0.003 . 1 . . . A 90 VAL HG23 . 17865 1 739 . 1 1 65 65 VAL C C 13 174.340 0.100 . 1 . . . A 90 VAL C . 17865 1 740 . 1 1 65 65 VAL CA C 13 61.162 0.126 . 1 . . . A 90 VAL CA . 17865 1 741 . 1 1 65 65 VAL CB C 13 33.866 0.111 . 1 . . . A 90 VAL CB . 17865 1 742 . 1 1 65 65 VAL CG1 C 13 21.847 0.043 . 2 . . . A 90 VAL CG1 . 17865 1 743 . 1 1 65 65 VAL N N 15 125.399 0.100 . 1 . . . A 90 VAL N . 17865 1 744 . 1 1 66 66 TYR H H 1 9.145 0.002 . 1 . . . A 91 TYR H . 17865 1 745 . 1 1 66 66 TYR HA H 1 4.771 0.029 . 1 . . . A 91 TYR HA . 17865 1 746 . 1 1 66 66 TYR HB2 H 1 2.820 0.004 . 1 . . . A 91 TYR HB2 . 17865 1 747 . 1 1 66 66 TYR HB3 H 1 2.820 0.004 . 1 . . . A 91 TYR HB3 . 17865 1 748 . 1 1 66 66 TYR HD1 H 1 7.014 0.009 . 3 . . . A 91 TYR HD1 . 17865 1 749 . 1 1 66 66 TYR HD2 H 1 7.014 0.009 . 3 . . . A 91 TYR HD2 . 17865 1 750 . 1 1 66 66 TYR HE1 H 1 6.737 0.007 . 3 . . . A 91 TYR HE1 . 17865 1 751 . 1 1 66 66 TYR HE2 H 1 6.737 0.007 . 3 . . . A 91 TYR HE2 . 17865 1 752 . 1 1 66 66 TYR C C 13 176.658 0.100 . 1 . . . A 91 TYR C . 17865 1 753 . 1 1 66 66 TYR CA C 13 58.084 0.171 . 1 . . . A 91 TYR CA . 17865 1 754 . 1 1 66 66 TYR CB C 13 41.535 0.033 . 1 . . . A 91 TYR CB . 17865 1 755 . 1 1 66 66 TYR CD1 C 13 133.219 0.138 . 1 . . . A 91 TYR CD1 . 17865 1 756 . 1 1 66 66 TYR CD2 C 13 133.219 0.138 . 1 . . . A 91 TYR CD2 . 17865 1 757 . 1 1 66 66 TYR CE1 C 13 118.127 0.080 . 1 . . . A 91 TYR CE1 . 17865 1 758 . 1 1 66 66 TYR CE2 C 13 118.127 0.080 . 1 . . . A 91 TYR CE2 . 17865 1 759 . 1 1 66 66 TYR N N 15 124.848 0.100 . 1 . . . A 91 TYR N . 17865 1 760 . 1 1 67 67 GLY H H 1 8.730 0.002 . 1 . . . A 92 GLY H . 17865 1 761 . 1 1 67 67 GLY HA2 H 1 4.517 0.008 . 2 . . . A 92 GLY HA2 . 17865 1 762 . 1 1 67 67 GLY HA3 H 1 4.145 0.008 . 2 . . . A 92 GLY HA3 . 17865 1 763 . 1 1 67 67 GLY C C 13 175.681 0.100 . 1 . . . A 92 GLY C . 17865 1 764 . 1 1 67 67 GLY CA C 13 43.975 0.107 . 1 . . . A 92 GLY CA . 17865 1 765 . 1 1 67 67 GLY N N 15 106.185 0.100 . 1 . . . A 92 GLY N . 17865 1 766 . 1 1 68 68 TYR H H 1 8.711 0.002 . 1 . . . A 93 TYR H . 17865 1 767 . 1 1 68 68 TYR HA H 1 3.975 0.000 . 1 . . . A 93 TYR HA . 17865 1 768 . 1 1 68 68 TYR HB2 H 1 3.402 0.004 . 2 . . . A 93 TYR HB2 . 17865 1 769 . 1 1 68 68 TYR HB3 H 1 2.975 0.001 . 2 . . . A 93 TYR HB3 . 17865 1 770 . 1 1 68 68 TYR HD1 H 1 7.178 0.020 . 3 . . . A 93 TYR HD1 . 17865 1 771 . 1 1 68 68 TYR HD2 H 1 7.178 0.020 . 3 . . . A 93 TYR HD2 . 17865 1 772 . 1 1 68 68 TYR HE1 H 1 6.935 0.020 . 3 . . . A 93 TYR HE1 . 17865 1 773 . 1 1 68 68 TYR HE2 H 1 6.935 0.020 . 3 . . . A 93 TYR HE2 . 17865 1 774 . 1 1 68 68 TYR C C 13 176.035 0.100 . 1 . . . A 93 TYR C . 17865 1 775 . 1 1 68 68 TYR CA C 13 61.046 0.133 . 1 . . . A 93 TYR CA . 17865 1 776 . 1 1 68 68 TYR CB C 13 38.425 0.081 . 1 . . . A 93 TYR CB . 17865 1 777 . 1 1 68 68 TYR CD1 C 13 133.487 0.086 . 1 . . . A 93 TYR CD1 . 17865 1 778 . 1 1 68 68 TYR CD2 C 13 133.487 0.086 . 1 . . . A 93 TYR CD2 . 17865 1 779 . 1 1 68 68 TYR CE1 C 13 118.353 0.259 . 1 . . . A 93 TYR CE1 . 17865 1 780 . 1 1 68 68 TYR CE2 C 13 118.353 0.259 . 1 . . . A 93 TYR CE2 . 17865 1 781 . 1 1 68 68 TYR N N 15 121.815 0.100 . 1 . . . A 93 TYR N . 17865 1 782 . 1 1 69 69 ASP H H 1 8.010 0.002 . 1 . . . A 94 ASP H . 17865 1 783 . 1 1 69 69 ASP HA H 1 4.288 0.003 . 1 . . . A 94 ASP HA . 17865 1 784 . 1 1 69 69 ASP HB2 H 1 2.944 0.013 . 2 . . . A 94 ASP HB2 . 17865 1 785 . 1 1 69 69 ASP HB3 H 1 2.498 0.002 . 2 . . . A 94 ASP HB3 . 17865 1 786 . 1 1 69 69 ASP C C 13 177.063 0.100 . 1 . . . A 94 ASP C . 17865 1 787 . 1 1 69 69 ASP CA C 13 53.011 0.151 . 1 . . . A 94 ASP CA . 17865 1 788 . 1 1 69 69 ASP CB C 13 40.167 0.090 . 1 . . . A 94 ASP CB . 17865 1 789 . 1 1 69 69 ASP N N 15 115.507 0.100 . 1 . . . A 94 ASP N . 17865 1 790 . 1 1 70 70 GLY H H 1 7.986 0.002 . 1 . . . A 95 GLY H . 17865 1 791 . 1 1 70 70 GLY HA2 H 1 3.565 0.027 . 2 . . . A 95 GLY HA2 . 17865 1 792 . 1 1 70 70 GLY HA3 H 1 4.127 0.003 . 2 . . . A 95 GLY HA3 . 17865 1 793 . 1 1 70 70 GLY C C 13 173.936 0.100 . 1 . . . A 95 GLY C . 17865 1 794 . 1 1 70 70 GLY CA C 13 45.392 0.056 . 1 . . . A 95 GLY CA . 17865 1 795 . 1 1 70 70 GLY N N 15 107.196 0.100 . 1 . . . A 95 GLY N . 17865 1 796 . 1 1 71 71 LYS H H 1 7.877 0.002 . 1 . . . A 96 LYS H . 17865 1 797 . 1 1 71 71 LYS HA H 1 4.784 0.001 . 1 . . . A 96 LYS HA . 17865 1 798 . 1 1 71 71 LYS HB2 H 1 1.827 0.001 . 1 . . . A 96 LYS HB2 . 17865 1 799 . 1 1 71 71 LYS HB3 H 1 1.827 0.001 . 1 . . . A 96 LYS HB3 . 17865 1 800 . 1 1 71 71 LYS HG2 H 1 1.347 0.001 . 1 . . . A 96 LYS HG2 . 17865 1 801 . 1 1 71 71 LYS HG3 H 1 1.347 0.001 . 1 . . . A 96 LYS HG3 . 17865 1 802 . 1 1 71 71 LYS HD2 H 1 1.676 0.001 . 1 . . . A 96 LYS HD2 . 17865 1 803 . 1 1 71 71 LYS HD3 H 1 1.676 0.001 . 1 . . . A 96 LYS HD3 . 17865 1 804 . 1 1 71 71 LYS HE2 H 1 2.976 0.008 . 1 . . . A 96 LYS HE2 . 17865 1 805 . 1 1 71 71 LYS HE3 H 1 2.976 0.008 . 1 . . . A 96 LYS HE3 . 17865 1 806 . 1 1 71 71 LYS CA C 13 54.114 0.066 . 1 . . . A 96 LYS CA . 17865 1 807 . 1 1 71 71 LYS CB C 13 31.762 0.014 . 1 . . . A 96 LYS CB . 17865 1 808 . 1 1 71 71 LYS CG C 13 25.239 0.052 . 1 . . . A 96 LYS CG . 17865 1 809 . 1 1 71 71 LYS CD C 13 29.310 0.070 . 1 . . . A 96 LYS CD . 17865 1 810 . 1 1 71 71 LYS CE C 13 42.206 0.071 . 1 . . . A 96 LYS CE . 17865 1 811 . 1 1 71 71 LYS N N 15 121.258 0.100 . 1 . . . A 96 LYS N . 17865 1 812 . 1 1 72 72 PRO C C 13 177.170 0.100 . 1 . . . A 97 PRO C . 17865 1 813 . 1 1 72 72 PRO CA C 13 63.137 0.144 . 1 . . . A 97 PRO CA . 17865 1 814 . 1 1 72 72 PRO CB C 13 32.240 0.015 . 1 . . . A 97 PRO CB . 17865 1 815 . 1 1 73 73 LEU H H 1 8.850 0.002 . 1 . . . A 98 LEU H . 17865 1 816 . 1 1 73 73 LEU HA H 1 4.360 0.014 . 1 . . . A 98 LEU HA . 17865 1 817 . 1 1 73 73 LEU HB2 H 1 1.465 0.005 . 2 . . . A 98 LEU HB2 . 17865 1 818 . 1 1 73 73 LEU HB3 H 1 1.253 0.003 . 2 . . . A 98 LEU HB3 . 17865 1 819 . 1 1 73 73 LEU HG H 1 1.536 0.002 . 1 . . . A 98 LEU HG . 17865 1 820 . 1 1 73 73 LEU HD11 H 1 0.845 0.005 . 1 . . . A 98 LEU HD11 . 17865 1 821 . 1 1 73 73 LEU HD12 H 1 0.845 0.005 . 1 . . . A 98 LEU HD12 . 17865 1 822 . 1 1 73 73 LEU HD13 H 1 0.845 0.005 . 1 . . . A 98 LEU HD13 . 17865 1 823 . 1 1 73 73 LEU HD21 H 1 0.750 0.003 . 1 . . . A 98 LEU HD21 . 17865 1 824 . 1 1 73 73 LEU HD22 H 1 0.750 0.003 . 1 . . . A 98 LEU HD22 . 17865 1 825 . 1 1 73 73 LEU HD23 H 1 0.750 0.003 . 1 . . . A 98 LEU HD23 . 17865 1 826 . 1 1 73 73 LEU C C 13 176.354 0.100 . 1 . . . A 98 LEU C . 17865 1 827 . 1 1 73 73 LEU CA C 13 53.927 0.087 . 1 . . . A 98 LEU CA . 17865 1 828 . 1 1 73 73 LEU CB C 13 42.272 0.062 . 1 . . . A 98 LEU CB . 17865 1 829 . 1 1 73 73 LEU CG C 13 26.626 0.053 . 1 . . . A 98 LEU CG . 17865 1 830 . 1 1 73 73 LEU CD1 C 13 22.943 0.053 . 2 . . . A 98 LEU CD1 . 17865 1 831 . 1 1 73 73 LEU CD2 C 13 25.601 0.041 . 2 . . . A 98 LEU CD2 . 17865 1 832 . 1 1 73 73 LEU N N 15 123.503 0.100 . 1 . . . A 98 LEU N . 17865 1 833 . 1 1 74 74 ASP H H 1 8.517 0.002 . 1 . . . A 99 ASP H . 17865 1 834 . 1 1 74 74 ASP HA H 1 4.597 0.022 . 1 . . . A 99 ASP HA . 17865 1 835 . 1 1 74 74 ASP HB2 H 1 2.607 0.019 . 2 . . . A 99 ASP HB2 . 17865 1 836 . 1 1 74 74 ASP HB3 H 1 2.989 0.009 . 2 . . . A 99 ASP HB3 . 17865 1 837 . 1 1 74 74 ASP C C 13 175.819 0.100 . 1 . . . A 99 ASP C . 17865 1 838 . 1 1 74 74 ASP CA C 13 53.856 0.125 . 1 . . . A 99 ASP CA . 17865 1 839 . 1 1 74 74 ASP CB C 13 40.989 0.042 . 1 . . . A 99 ASP CB . 17865 1 840 . 1 1 74 74 ASP N N 15 122.212 0.100 . 1 . . . A 99 ASP N . 17865 1 841 . 1 1 75 75 LEU H H 1 8.281 0.002 . 1 . . . A 100 LEU H . 17865 1 842 . 1 1 75 75 LEU HA H 1 4.366 0.023 . 1 . . . A 100 LEU HA . 17865 1 843 . 1 1 75 75 LEU HB2 H 1 1.369 0.002 . 1 . . . A 100 LEU HB2 . 17865 1 844 . 1 1 75 75 LEU HB3 H 1 1.369 0.002 . 1 . . . A 100 LEU HB3 . 17865 1 845 . 1 1 75 75 LEU HG H 1 1.488 0.003 . 1 . . . A 100 LEU HG . 17865 1 846 . 1 1 75 75 LEU HD11 H 1 0.736 0.003 . 1 . . . A 100 LEU HD11 . 17865 1 847 . 1 1 75 75 LEU HD12 H 1 0.736 0.003 . 1 . . . A 100 LEU HD12 . 17865 1 848 . 1 1 75 75 LEU HD13 H 1 0.736 0.003 . 1 . . . A 100 LEU HD13 . 17865 1 849 . 1 1 75 75 LEU HD21 H 1 0.658 0.004 . 1 . . . A 100 LEU HD21 . 17865 1 850 . 1 1 75 75 LEU HD22 H 1 0.658 0.004 . 1 . . . A 100 LEU HD22 . 17865 1 851 . 1 1 75 75 LEU HD23 H 1 0.658 0.004 . 1 . . . A 100 LEU HD23 . 17865 1 852 . 1 1 75 75 LEU C C 13 178.426 0.100 . 1 . . . A 100 LEU C . 17865 1 853 . 1 1 75 75 LEU CA C 13 53.631 0.149 . 1 . . . A 100 LEU CA . 17865 1 854 . 1 1 75 75 LEU CB C 13 40.676 0.076 . 1 . . . A 100 LEU CB . 17865 1 855 . 1 1 75 75 LEU CG C 13 27.597 0.098 . 1 . . . A 100 LEU CG . 17865 1 856 . 1 1 75 75 LEU CD1 C 13 26.060 0.173 . 2 . . . A 100 LEU CD1 . 17865 1 857 . 1 1 75 75 LEU CD2 C 13 24.930 0.188 . 2 . . . A 100 LEU CD2 . 17865 1 858 . 1 1 75 75 LEU N N 15 125.874 0.100 . 1 . . . A 100 LEU N . 17865 1 859 . 1 1 76 76 GLY H H 1 8.914 0.002 . 1 . . . A 101 GLY H . 17865 1 860 . 1 1 76 76 GLY HA2 H 1 3.986 0.012 . 2 . . . A 101 GLY HA2 . 17865 1 861 . 1 1 76 76 GLY HA3 H 1 3.712 0.042 . 2 . . . A 101 GLY HA3 . 17865 1 862 . 1 1 76 76 GLY C C 13 176.936 0.100 . 1 . . . A 101 GLY C . 17865 1 863 . 1 1 76 76 GLY CA C 13 47.827 0.074 . 1 . . . A 101 GLY CA . 17865 1 864 . 1 1 76 76 GLY N N 15 110.604 0.100 . 1 . . . A 101 GLY N . 17865 1 865 . 1 1 77 77 PHE H H 1 7.992 0.002 . 1 . . . A 102 PHE H . 17865 1 866 . 1 1 77 77 PHE HA H 1 4.381 0.005 . 1 . . . A 102 PHE HA . 17865 1 867 . 1 1 77 77 PHE HB2 H 1 3.067 0.001 . 2 . . . A 102 PHE HB2 . 17865 1 868 . 1 1 77 77 PHE HB3 H 1 3.219 0.006 . 2 . . . A 102 PHE HB3 . 17865 1 869 . 1 1 77 77 PHE C C 13 177.878 0.100 . 1 . . . A 102 PHE C . 17865 1 870 . 1 1 77 77 PHE CA C 13 59.139 0.129 . 1 . . . A 102 PHE CA . 17865 1 871 . 1 1 77 77 PHE CB C 13 36.935 0.043 . 1 . . . A 102 PHE CB . 17865 1 872 . 1 1 77 77 PHE N N 15 117.639 0.100 . 1 . . . A 102 PHE N . 17865 1 873 . 1 1 78 78 CYS H H 1 7.362 0.002 . 1 . . . A 103 CYS H . 17865 1 874 . 1 1 78 78 CYS HA H 1 4.385 0.016 . 1 . . . A 103 CYS HA . 17865 1 875 . 1 1 78 78 CYS HB2 H 1 2.886 0.014 . 2 . . . A 103 CYS HB2 . 17865 1 876 . 1 1 78 78 CYS HB3 H 1 2.553 0.041 . 2 . . . A 103 CYS HB3 . 17865 1 877 . 1 1 78 78 CYS C C 13 172.780 0.100 . 1 . . . A 103 CYS C . 17865 1 878 . 1 1 78 78 CYS CA C 13 53.696 0.138 . 1 . . . A 103 CYS CA . 17865 1 879 . 1 1 78 78 CYS CB C 13 34.237 0.079 . 1 . . . A 103 CYS CB . 17865 1 880 . 1 1 78 78 CYS N N 15 121.136 0.100 . 1 . . . A 103 CYS N . 17865 1 881 . 1 1 79 79 THR H H 1 7.864 0.002 . 1 . . . A 104 THR H . 17865 1 882 . 1 1 79 79 THR HA H 1 3.984 0.016 . 1 . . . A 104 THR HA . 17865 1 883 . 1 1 79 79 THR HB H 1 4.231 0.011 . 1 . . . A 104 THR HB . 17865 1 884 . 1 1 79 79 THR HG21 H 1 1.262 0.005 . 1 . . . A 104 THR HG21 . 17865 1 885 . 1 1 79 79 THR HG22 H 1 1.262 0.005 . 1 . . . A 104 THR HG22 . 17865 1 886 . 1 1 79 79 THR HG23 H 1 1.262 0.005 . 1 . . . A 104 THR HG23 . 17865 1 887 . 1 1 79 79 THR C C 13 176.624 0.100 . 1 . . . A 104 THR C . 17865 1 888 . 1 1 79 79 THR CA C 13 65.180 0.135 . 1 . . . A 104 THR CA . 17865 1 889 . 1 1 79 79 THR CB C 13 69.062 0.024 . 1 . . . A 104 THR CB . 17865 1 890 . 1 1 79 79 THR CG2 C 13 21.985 0.051 . 1 . . . A 104 THR CG2 . 17865 1 891 . 1 1 79 79 THR N N 15 114.773 0.100 . 1 . . . A 104 THR N . 17865 1 892 . 1 1 80 80 LEU H H 1 7.238 0.002 . 1 . . . A 105 LEU H . 17865 1 893 . 1 1 80 80 LEU HA H 1 4.331 0.004 . 1 . . . A 105 LEU HA . 17865 1 894 . 1 1 80 80 LEU HB2 H 1 1.977 0.006 . 2 . . . A 105 LEU HB2 . 17865 1 895 . 1 1 80 80 LEU HB3 H 1 2.004 0.002 . 2 . . . A 105 LEU HB3 . 17865 1 896 . 1 1 80 80 LEU HG H 1 1.724 0.008 . 1 . . . A 105 LEU HG . 17865 1 897 . 1 1 80 80 LEU HD11 H 1 0.994 0.001 . 1 . . . A 105 LEU HD11 . 17865 1 898 . 1 1 80 80 LEU HD12 H 1 0.994 0.001 . 1 . . . A 105 LEU HD12 . 17865 1 899 . 1 1 80 80 LEU HD13 H 1 0.994 0.001 . 1 . . . A 105 LEU HD13 . 17865 1 900 . 1 1 80 80 LEU HD21 H 1 0.875 0.002 . 1 . . . A 105 LEU HD21 . 17865 1 901 . 1 1 80 80 LEU HD22 H 1 0.875 0.002 . 1 . . . A 105 LEU HD22 . 17865 1 902 . 1 1 80 80 LEU HD23 H 1 0.875 0.002 . 1 . . . A 105 LEU HD23 . 17865 1 903 . 1 1 80 80 LEU C C 13 177.208 0.100 . 1 . . . A 105 LEU C . 17865 1 904 . 1 1 80 80 LEU CA C 13 55.453 0.196 . 1 . . . A 105 LEU CA . 17865 1 905 . 1 1 80 80 LEU CB C 13 41.293 0.035 . 1 . . . A 105 LEU CB . 17865 1 906 . 1 1 80 80 LEU CG C 13 27.290 0.111 . 1 . . . A 105 LEU CG . 17865 1 907 . 1 1 80 80 LEU CD1 C 13 25.307 0.013 . 2 . . . A 105 LEU CD1 . 17865 1 908 . 1 1 80 80 LEU CD2 C 13 22.515 0.032 . 2 . . . A 105 LEU CD2 . 17865 1 909 . 1 1 80 80 LEU N N 15 119.785 0.100 . 1 . . . A 105 LEU N . 17865 1 910 . 1 1 81 81 ALA H H 1 7.432 0.002 . 1 . . . A 106 ALA H . 17865 1 911 . 1 1 81 81 ALA HA H 1 4.527 0.004 . 1 . . . A 106 ALA HA . 17865 1 912 . 1 1 81 81 ALA HB1 H 1 1.425 0.004 . 1 . . . A 106 ALA HB1 . 17865 1 913 . 1 1 81 81 ALA HB2 H 1 1.425 0.004 . 1 . . . A 106 ALA HB2 . 17865 1 914 . 1 1 81 81 ALA HB3 H 1 1.425 0.004 . 1 . . . A 106 ALA HB3 . 17865 1 915 . 1 1 81 81 ALA C C 13 178.769 0.100 . 1 . . . A 106 ALA C . 17865 1 916 . 1 1 81 81 ALA CA C 13 52.049 0.223 . 1 . . . A 106 ALA CA . 17865 1 917 . 1 1 81 81 ALA CB C 13 18.820 0.064 . 1 . . . A 106 ALA CB . 17865 1 918 . 1 1 81 81 ALA N N 15 119.309 0.100 . 1 . . . A 106 ALA N . 17865 1 919 . 1 1 82 82 GLY H H 1 7.918 0.002 . 1 . . . A 107 GLY H . 17865 1 920 . 1 1 82 82 GLY HA2 H 1 4.072 0.005 . 2 . . . A 107 GLY HA2 . 17865 1 921 . 1 1 82 82 GLY HA3 H 1 3.811 0.021 . 2 . . . A 107 GLY HA3 . 17865 1 922 . 1 1 82 82 GLY CA C 13 47.119 0.091 . 1 . . . A 107 GLY CA . 17865 1 923 . 1 1 82 82 GLY N N 15 109.793 0.100 . 1 . . . A 107 GLY N . 17865 1 924 . 1 1 83 83 ILE HA H 1 4.266 0.007 . 1 . . . A 108 ILE HA . 17865 1 925 . 1 1 83 83 ILE HB H 1 2.095 0.003 . 1 . . . A 108 ILE HB . 17865 1 926 . 1 1 83 83 ILE HG12 H 1 1.483 0.002 . 2 . . . A 108 ILE HG12 . 17865 1 927 . 1 1 83 83 ILE HG13 H 1 1.433 0.001 . 2 . . . A 108 ILE HG13 . 17865 1 928 . 1 1 83 83 ILE HG21 H 1 1.069 0.003 . 1 . . . A 108 ILE HG21 . 17865 1 929 . 1 1 83 83 ILE HG22 H 1 1.069 0.003 . 1 . . . A 108 ILE HG22 . 17865 1 930 . 1 1 83 83 ILE HG23 H 1 1.069 0.003 . 1 . . . A 108 ILE HG23 . 17865 1 931 . 1 1 83 83 ILE HD11 H 1 0.961 0.003 . 1 . . . A 108 ILE HD11 . 17865 1 932 . 1 1 83 83 ILE HD12 H 1 0.961 0.003 . 1 . . . A 108 ILE HD12 . 17865 1 933 . 1 1 83 83 ILE HD13 H 1 0.961 0.003 . 1 . . . A 108 ILE HD13 . 17865 1 934 . 1 1 83 83 ILE CA C 13 63.263 0.062 . 1 . . . A 108 ILE CA . 17865 1 935 . 1 1 83 83 ILE CB C 13 38.261 0.023 . 1 . . . A 108 ILE CB . 17865 1 936 . 1 1 83 83 ILE CG1 C 13 27.888 0.053 . 1 . . . A 108 ILE CG1 . 17865 1 937 . 1 1 83 83 ILE CG2 C 13 17.961 0.046 . 1 . . . A 108 ILE CG2 . 17865 1 938 . 1 1 83 83 ILE CD1 C 13 14.149 0.019 . 1 . . . A 108 ILE CD1 . 17865 1 939 . 1 1 84 84 ARG HA H 1 4.755 0.001 . 1 . . . A 109 ARG HA . 17865 1 940 . 1 1 84 84 ARG HB2 H 1 2.523 0.001 . 2 . . . A 109 ARG HB2 . 17865 1 941 . 1 1 84 84 ARG HB3 H 1 1.991 0.002 . 2 . . . A 109 ARG HB3 . 17865 1 942 . 1 1 84 84 ARG HG2 H 1 1.808 0.002 . 2 . . . A 109 ARG HG2 . 17865 1 943 . 1 1 84 84 ARG HG3 H 1 1.891 0.002 . 2 . . . A 109 ARG HG3 . 17865 1 944 . 1 1 84 84 ARG HD2 H 1 3.415 0.003 . 1 . . . A 109 ARG HD2 . 17865 1 945 . 1 1 84 84 ARG HD3 H 1 3.415 0.003 . 1 . . . A 109 ARG HD3 . 17865 1 946 . 1 1 84 84 ARG C C 13 181.344 0.100 . 1 . . . A 109 ARG C . 17865 1 947 . 1 1 84 84 ARG CA C 13 55.939 0.055 . 1 . . . A 109 ARG CA . 17865 1 948 . 1 1 84 84 ARG CB C 13 30.283 0.039 . 1 . . . A 109 ARG CB . 17865 1 949 . 1 1 84 84 ARG CG C 13 27.536 0.076 . 1 . . . A 109 ARG CG . 17865 1 950 . 1 1 84 84 ARG CD C 13 44.168 0.015 . 1 . . . A 109 ARG CD . 17865 1 951 . 1 1 85 85 GLU H H 1 8.003 0.002 . 1 . . . A 110 GLU H . 17865 1 952 . 1 1 85 85 GLU HA H 1 3.617 0.010 . 1 . . . A 110 GLU HA . 17865 1 953 . 1 1 85 85 GLU HB2 H 1 2.232 0.003 . 1 . . . A 110 GLU HB2 . 17865 1 954 . 1 1 85 85 GLU HB3 H 1 2.232 0.003 . 1 . . . A 110 GLU HB3 . 17865 1 955 . 1 1 85 85 GLU HG2 H 1 1.814 0.002 . 1 . . . A 110 GLU HG2 . 17865 1 956 . 1 1 85 85 GLU HG3 H 1 1.814 0.002 . 1 . . . A 110 GLU HG3 . 17865 1 957 . 1 1 85 85 GLU C C 13 177.797 0.100 . 1 . . . A 110 GLU C . 17865 1 958 . 1 1 85 85 GLU CA C 13 60.728 0.095 . 1 . . . A 110 GLU CA . 17865 1 959 . 1 1 85 85 GLU CB C 13 28.871 0.053 . 1 . . . A 110 GLU CB . 17865 1 960 . 1 1 85 85 GLU CG C 13 36.032 0.059 . 1 . . . A 110 GLU CG . 17865 1 961 . 1 1 85 85 GLU N N 15 122.944 0.100 . 1 . . . A 110 GLU N . 17865 1 962 . 1 1 86 86 VAL H H 1 8.106 0.002 . 1 . . . A 111 VAL H . 17865 1 963 . 1 1 86 86 VAL HA H 1 3.511 0.009 . 1 . . . A 111 VAL HA . 17865 1 964 . 1 1 86 86 VAL HB H 1 2.087 0.004 . 1 . . . A 111 VAL HB . 17865 1 965 . 1 1 86 86 VAL HG11 H 1 0.905 0.003 . 1 . . . A 111 VAL HG11 . 17865 1 966 . 1 1 86 86 VAL HG12 H 1 0.905 0.003 . 1 . . . A 111 VAL HG12 . 17865 1 967 . 1 1 86 86 VAL HG13 H 1 0.905 0.003 . 1 . . . A 111 VAL HG13 . 17865 1 968 . 1 1 86 86 VAL HG21 H 1 0.954 0.005 . 1 . . . A 111 VAL HG21 . 17865 1 969 . 1 1 86 86 VAL HG22 H 1 0.954 0.005 . 1 . . . A 111 VAL HG22 . 17865 1 970 . 1 1 86 86 VAL HG23 H 1 0.954 0.005 . 1 . . . A 111 VAL HG23 . 17865 1 971 . 1 1 86 86 VAL C C 13 177.710 0.100 . 1 . . . A 111 VAL C . 17865 1 972 . 1 1 86 86 VAL CA C 13 66.430 0.123 . 1 . . . A 111 VAL CA . 17865 1 973 . 1 1 86 86 VAL CB C 13 31.213 0.101 . 1 . . . A 111 VAL CB . 17865 1 974 . 1 1 86 86 VAL CG1 C 13 20.786 0.023 . 2 . . . A 111 VAL CG1 . 17865 1 975 . 1 1 86 86 VAL CG2 C 13 22.450 0.030 . 2 . . . A 111 VAL CG2 . 17865 1 976 . 1 1 86 86 VAL N N 15 117.101 0.100 . 1 . . . A 111 VAL N . 17865 1 977 . 1 1 87 87 ASP H H 1 7.401 0.002 . 1 . . . A 112 ASP H . 17865 1 978 . 1 1 87 87 ASP HA H 1 4.304 0.034 . 1 . . . A 112 ASP HA . 17865 1 979 . 1 1 87 87 ASP HB2 H 1 2.947 0.020 . 2 . . . A 112 ASP HB2 . 17865 1 980 . 1 1 87 87 ASP HB3 H 1 2.687 0.010 . 2 . . . A 112 ASP HB3 . 17865 1 981 . 1 1 87 87 ASP C C 13 176.912 0.100 . 1 . . . A 112 ASP C . 17865 1 982 . 1 1 87 87 ASP CA C 13 57.417 0.080 . 1 . . . A 112 ASP CA . 17865 1 983 . 1 1 87 87 ASP CB C 13 40.476 0.022 . 1 . . . A 112 ASP CB . 17865 1 984 . 1 1 87 87 ASP N N 15 122.242 0.100 . 1 . . . A 112 ASP N . 17865 1 985 . 1 1 88 88 CYS H H 1 7.785 0.002 . 1 . . . A 113 CYS H . 17865 1 986 . 1 1 88 88 CYS HA H 1 3.309 0.015 . 1 . . . A 113 CYS HA . 17865 1 987 . 1 1 88 88 CYS HB2 H 1 1.264 0.002 . 2 . . . A 113 CYS HB2 . 17865 1 988 . 1 1 88 88 CYS HB3 H 1 2.903 0.002 . 2 . . . A 113 CYS HB3 . 17865 1 989 . 1 1 88 88 CYS C C 13 175.270 0.100 . 1 . . . A 113 CYS C . 17865 1 990 . 1 1 88 88 CYS CA C 13 59.759 0.116 . 1 . . . A 113 CYS CA . 17865 1 991 . 1 1 88 88 CYS CB C 13 33.835 0.108 . 1 . . . A 113 CYS CB . 17865 1 992 . 1 1 88 88 CYS N N 15 120.819 0.100 . 1 . . . A 113 CYS N . 17865 1 993 . 1 1 89 89 ARG H H 1 8.142 0.002 . 1 . . . A 114 ARG H . 17865 1 994 . 1 1 89 89 ARG HA H 1 3.641 0.003 . 1 . . . A 114 ARG HA . 17865 1 995 . 1 1 89 89 ARG HB2 H 1 1.667 0.005 . 1 . . . A 114 ARG HB2 . 17865 1 996 . 1 1 89 89 ARG HB3 H 1 1.667 0.005 . 1 . . . A 114 ARG HB3 . 17865 1 997 . 1 1 89 89 ARG HG2 H 1 1.250 0.003 . 1 . . . A 114 ARG HG2 . 17865 1 998 . 1 1 89 89 ARG HG3 H 1 1.250 0.003 . 1 . . . A 114 ARG HG3 . 17865 1 999 . 1 1 89 89 ARG HD2 H 1 2.958 0.001 . 1 . . . A 114 ARG HD2 . 17865 1 1000 . 1 1 89 89 ARG HD3 H 1 2.958 0.001 . 1 . . . A 114 ARG HD3 . 17865 1 1001 . 1 1 89 89 ARG C C 13 179.018 0.100 . 1 . . . A 114 ARG C . 17865 1 1002 . 1 1 89 89 ARG CA C 13 60.193 0.098 . 1 . . . A 114 ARG CA . 17865 1 1003 . 1 1 89 89 ARG CB C 13 29.713 0.064 . 1 . . . A 114 ARG CB . 17865 1 1004 . 1 1 89 89 ARG CD C 13 43.086 0.060 . 1 . . . A 114 ARG CD . 17865 1 1005 . 1 1 89 89 ARG N N 15 118.654 0.100 . 1 . . . A 114 ARG N . 17865 1 1006 . 1 1 90 90 LYS H H 1 7.936 0.002 . 1 . . . A 115 LYS H . 17865 1 1007 . 1 1 90 90 LYS HA H 1 4.030 0.003 . 1 . . . A 115 LYS HA . 17865 1 1008 . 1 1 90 90 LYS HB2 H 1 1.916 0.006 . 1 . . . A 115 LYS HB2 . 17865 1 1009 . 1 1 90 90 LYS HB3 H 1 1.916 0.006 . 1 . . . A 115 LYS HB3 . 17865 1 1010 . 1 1 90 90 LYS HG2 H 1 1.414 0.005 . 2 . . . A 115 LYS HG2 . 17865 1 1011 . 1 1 90 90 LYS HG3 H 1 1.546 0.001 . 2 . . . A 115 LYS HG3 . 17865 1 1012 . 1 1 90 90 LYS HD2 H 1 1.669 0.005 . 1 . . . A 115 LYS HD2 . 17865 1 1013 . 1 1 90 90 LYS HD3 H 1 1.669 0.005 . 1 . . . A 115 LYS HD3 . 17865 1 1014 . 1 1 90 90 LYS HE2 H 1 2.933 0.006 . 1 . . . A 115 LYS HE2 . 17865 1 1015 . 1 1 90 90 LYS HE3 H 1 2.933 0.006 . 1 . . . A 115 LYS HE3 . 17865 1 1016 . 1 1 90 90 LYS C C 13 180.092 0.100 . 1 . . . A 115 LYS C . 17865 1 1017 . 1 1 90 90 LYS CA C 13 59.568 0.141 . 1 . . . A 115 LYS CA . 17865 1 1018 . 1 1 90 90 LYS CB C 13 32.221 0.092 . 1 . . . A 115 LYS CB . 17865 1 1019 . 1 1 90 90 LYS CG C 13 25.027 0.052 . 1 . . . A 115 LYS CG . 17865 1 1020 . 1 1 90 90 LYS CD C 13 29.632 0.070 . 1 . . . A 115 LYS CD . 17865 1 1021 . 1 1 90 90 LYS CE C 13 42.136 0.097 . 1 . . . A 115 LYS CE . 17865 1 1022 . 1 1 90 90 LYS N N 15 120.964 0.100 . 1 . . . A 115 LYS N . 17865 1 1023 . 1 1 91 91 ASP H H 1 8.558 0.002 . 1 . . . A 116 ASP H . 17865 1 1024 . 1 1 91 91 ASP HA H 1 4.513 0.016 . 1 . . . A 116 ASP HA . 17865 1 1025 . 1 1 91 91 ASP HB2 H 1 2.792 0.006 . 2 . . . A 116 ASP HB2 . 17865 1 1026 . 1 1 91 91 ASP HB3 H 1 3.038 0.001 . 2 . . . A 116 ASP HB3 . 17865 1 1027 . 1 1 91 91 ASP C C 13 179.419 0.100 . 1 . . . A 116 ASP C . 17865 1 1028 . 1 1 91 91 ASP CA C 13 57.237 0.091 . 1 . . . A 116 ASP CA . 17865 1 1029 . 1 1 91 91 ASP CB C 13 40.648 0.056 . 1 . . . A 116 ASP CB . 17865 1 1030 . 1 1 91 91 ASP N N 15 121.690 0.100 . 1 . . . A 116 ASP N . 17865 1 1031 . 1 1 92 92 ALA H H 1 8.703 0.002 . 1 . . . A 117 ALA H . 17865 1 1032 . 1 1 92 92 ALA HA H 1 4.023 0.005 . 1 . . . A 117 ALA HA . 17865 1 1033 . 1 1 92 92 ALA HB1 H 1 1.431 0.002 . 1 . . . A 117 ALA HB1 . 17865 1 1034 . 1 1 92 92 ALA HB2 H 1 1.431 0.002 . 1 . . . A 117 ALA HB2 . 17865 1 1035 . 1 1 92 92 ALA HB3 H 1 1.431 0.002 . 1 . . . A 117 ALA HB3 . 17865 1 1036 . 1 1 92 92 ALA C C 13 178.789 0.100 . 1 . . . A 117 ALA C . 17865 1 1037 . 1 1 92 92 ALA CA C 13 55.051 0.129 . 1 . . . A 117 ALA CA . 17865 1 1038 . 1 1 92 92 ALA CB C 13 19.175 0.018 . 1 . . . A 117 ALA CB . 17865 1 1039 . 1 1 92 92 ALA N N 15 122.784 0.100 . 1 . . . A 117 ALA N . 17865 1 1040 . 1 1 93 93 GLN H H 1 7.664 0.002 . 1 . . . A 118 GLN H . 17865 1 1041 . 1 1 93 93 GLN HA H 1 3.944 0.003 . 1 . . . A 118 GLN HA . 17865 1 1042 . 1 1 93 93 GLN HB2 H 1 2.253 0.009 . 1 . . . A 118 GLN HB2 . 17865 1 1043 . 1 1 93 93 GLN HB3 H 1 2.253 0.009 . 1 . . . A 118 GLN HB3 . 17865 1 1044 . 1 1 93 93 GLN HG2 H 1 2.628 0.008 . 2 . . . A 118 GLN HG2 . 17865 1 1045 . 1 1 93 93 GLN HG3 H 1 2.478 0.005 . 2 . . . A 118 GLN HG3 . 17865 1 1046 . 1 1 93 93 GLN HE21 H 1 7.429 0.002 . 2 . . . A 118 GLN HE21 . 17865 1 1047 . 1 1 93 93 GLN HE22 H 1 6.796 0.002 . 2 . . . A 118 GLN HE22 . 17865 1 1048 . 1 1 93 93 GLN C C 13 178.745 0.100 . 1 . . . A 118 GLN C . 17865 1 1049 . 1 1 93 93 GLN CA C 13 58.482 0.201 . 1 . . . A 118 GLN CA . 17865 1 1050 . 1 1 93 93 GLN CB C 13 28.397 0.026 . 1 . . . A 118 GLN CB . 17865 1 1051 . 1 1 93 93 GLN CG C 13 34.302 0.086 . 1 . . . A 118 GLN CG . 17865 1 1052 . 1 1 93 93 GLN N N 15 115.510 0.100 . 1 . . . A 118 GLN N . 17865 1 1053 . 1 1 93 93 GLN NE2 N 15 111.473 0.008 . 1 . . . A 118 GLN NE2 . 17865 1 1054 . 1 1 94 94 THR H H 1 7.726 0.002 . 1 . . . A 119 THR H . 17865 1 1055 . 1 1 94 94 THR HA H 1 4.237 0.006 . 1 . . . A 119 THR HA . 17865 1 1056 . 1 1 94 94 THR HB H 1 4.360 0.003 . 1 . . . A 119 THR HB . 17865 1 1057 . 1 1 94 94 THR HG21 H 1 1.452 0.002 . 1 . . . A 119 THR HG21 . 17865 1 1058 . 1 1 94 94 THR HG22 H 1 1.452 0.002 . 1 . . . A 119 THR HG22 . 17865 1 1059 . 1 1 94 94 THR HG23 H 1 1.452 0.002 . 1 . . . A 119 THR HG23 . 17865 1 1060 . 1 1 94 94 THR C C 13 175.861 0.100 . 1 . . . A 119 THR C . 17865 1 1061 . 1 1 94 94 THR CA C 13 64.604 0.131 . 1 . . . A 119 THR CA . 17865 1 1062 . 1 1 94 94 THR CB C 13 69.716 0.062 . 1 . . . A 119 THR CB . 17865 1 1063 . 1 1 94 94 THR CG2 C 13 21.503 0.083 . 1 . . . A 119 THR CG2 . 17865 1 1064 . 1 1 94 94 THR N N 15 110.110 0.100 . 1 . . . A 119 THR N . 17865 1 1065 . 1 1 95 95 CYS H H 1 7.756 0.002 . 1 . . . A 120 CYS H . 17865 1 1066 . 1 1 95 95 CYS HA H 1 4.733 0.009 . 1 . . . A 120 CYS HA . 17865 1 1067 . 1 1 95 95 CYS HB2 H 1 2.771 0.015 . 2 . . . A 120 CYS HB2 . 17865 1 1068 . 1 1 95 95 CYS HB3 H 1 3.360 0.001 . 2 . . . A 120 CYS HB3 . 17865 1 1069 . 1 1 95 95 CYS C C 13 175.165 0.100 . 1 . . . A 120 CYS C . 17865 1 1070 . 1 1 95 95 CYS CA C 13 52.973 0.099 . 1 . . . A 120 CYS CA . 17865 1 1071 . 1 1 95 95 CYS CB C 13 36.731 0.044 . 1 . . . A 120 CYS CB . 17865 1 1072 . 1 1 95 95 CYS N N 15 118.523 0.100 . 1 . . . A 120 CYS N . 17865 1 1073 . 1 1 96 96 ASP H H 1 7.354 0.002 . 1 . . . A 121 ASP H . 17865 1 1074 . 1 1 96 96 ASP HA H 1 4.678 0.008 . 1 . . . A 121 ASP HA . 17865 1 1075 . 1 1 96 96 ASP HB2 H 1 2.891 0.006 . 2 . . . A 121 ASP HB2 . 17865 1 1076 . 1 1 96 96 ASP HB3 H 1 2.799 0.006 . 2 . . . A 121 ASP HB3 . 17865 1 1077 . 1 1 96 96 ASP CA C 13 56.224 0.059 . 1 . . . A 121 ASP CA . 17865 1 1078 . 1 1 96 96 ASP CB C 13 42.731 0.005 . 1 . . . A 121 ASP CB . 17865 1 1079 . 1 1 96 96 ASP N N 15 119.081 0.100 . 1 . . . A 121 ASP N . 17865 1 1080 . 1 1 97 97 LYS HA H 1 3.575 0.003 . 1 . . . A 122 LYS HA . 17865 1 1081 . 1 1 97 97 LYS HB2 H 1 2.004 0.006 . 2 . . . A 122 LYS HB2 . 17865 1 1082 . 1 1 97 97 LYS HB3 H 1 1.955 0.006 . 2 . . . A 122 LYS HB3 . 17865 1 1083 . 1 1 97 97 LYS HG2 H 1 1.540 0.001 . 2 . . . A 122 LYS HG2 . 17865 1 1084 . 1 1 97 97 LYS HG3 H 1 1.324 0.003 . 2 . . . A 122 LYS HG3 . 17865 1 1085 . 1 1 97 97 LYS HD2 H 1 1.700 0.001 . 1 . . . A 122 LYS HD2 . 17865 1 1086 . 1 1 97 97 LYS HD3 H 1 1.700 0.001 . 1 . . . A 122 LYS HD3 . 17865 1 1087 . 1 1 97 97 LYS HE2 H 1 2.919 0.008 . 1 . . . A 122 LYS HE2 . 17865 1 1088 . 1 1 97 97 LYS HE3 H 1 2.919 0.008 . 1 . . . A 122 LYS HE3 . 17865 1 1089 . 1 1 97 97 LYS C C 13 175.510 0.100 . 1 . . . A 122 LYS C . 17865 1 1090 . 1 1 97 97 LYS CA C 13 57.839 0.109 . 1 . . . A 122 LYS CA . 17865 1 1091 . 1 1 97 97 LYS CB C 13 30.750 0.025 . 1 . . . A 122 LYS CB . 17865 1 1092 . 1 1 97 97 LYS CG C 13 26.219 0.074 . 1 . . . A 122 LYS CG . 17865 1 1093 . 1 1 97 97 LYS CD C 13 28.628 0.005 . 1 . . . A 122 LYS CD . 17865 1 1094 . 1 1 97 97 LYS CE C 13 42.556 0.053 . 1 . . . A 122 LYS CE . 17865 1 1095 . 1 1 98 98 LYS H H 1 7.799 0.002 . 1 . . . A 123 LYS H . 17865 1 1096 . 1 1 98 98 LYS HA H 1 4.294 0.013 . 1 . . . A 123 LYS HA . 17865 1 1097 . 1 1 98 98 LYS HB2 H 1 1.721 0.001 . 2 . . . A 123 LYS HB2 . 17865 1 1098 . 1 1 98 98 LYS HB3 H 1 1.629 0.002 . 2 . . . A 123 LYS HB3 . 17865 1 1099 . 1 1 98 98 LYS HG2 H 1 1.392 0.002 . 2 . . . A 123 LYS HG2 . 17865 1 1100 . 1 1 98 98 LYS HG3 H 1 1.552 0.003 . 2 . . . A 123 LYS HG3 . 17865 1 1101 . 1 1 98 98 LYS HD2 H 1 1.722 0.003 . 1 . . . A 123 LYS HD2 . 17865 1 1102 . 1 1 98 98 LYS HD3 H 1 1.722 0.003 . 1 . . . A 123 LYS HD3 . 17865 1 1103 . 1 1 98 98 LYS HE2 H 1 3.098 0.002 . 1 . . . A 123 LYS HE2 . 17865 1 1104 . 1 1 98 98 LYS HE3 H 1 3.098 0.002 . 1 . . . A 123 LYS HE3 . 17865 1 1105 . 1 1 98 98 LYS C C 13 176.968 0.100 . 1 . . . A 123 LYS C . 17865 1 1106 . 1 1 98 98 LYS CA C 13 55.904 0.127 . 1 . . . A 123 LYS CA . 17865 1 1107 . 1 1 98 98 LYS CB C 13 33.232 0.074 . 1 . . . A 123 LYS CB . 17865 1 1108 . 1 1 98 98 LYS CG C 13 25.261 0.023 . 1 . . . A 123 LYS CG . 17865 1 1109 . 1 1 98 98 LYS CD C 13 29.072 0.039 . 1 . . . A 123 LYS CD . 17865 1 1110 . 1 1 98 98 LYS CE C 13 42.437 0.026 . 1 . . . A 123 LYS CE . 17865 1 1111 . 1 1 98 98 LYS N N 15 119.980 0.100 . 1 . . . A 123 LYS N . 17865 1 1112 . 1 1 99 99 TYR H H 1 8.536 0.002 . 1 . . . A 124 TYR H . 17865 1 1113 . 1 1 99 99 TYR HA H 1 3.895 0.002 . 1 . . . A 124 TYR HA . 17865 1 1114 . 1 1 99 99 TYR HB2 H 1 2.912 0.002 . 2 . . . A 124 TYR HB2 . 17865 1 1115 . 1 1 99 99 TYR HB3 H 1 2.790 0.002 . 2 . . . A 124 TYR HB3 . 17865 1 1116 . 1 1 99 99 TYR HD1 H 1 6.736 0.010 . 3 . . . A 124 TYR HD1 . 17865 1 1117 . 1 1 99 99 TYR HD2 H 1 6.736 0.010 . 3 . . . A 124 TYR HD2 . 17865 1 1118 . 1 1 99 99 TYR HE1 H 1 6.727 0.002 . 3 . . . A 124 TYR HE1 . 17865 1 1119 . 1 1 99 99 TYR HE2 H 1 6.727 0.002 . 3 . . . A 124 TYR HE2 . 17865 1 1120 . 1 1 99 99 TYR C C 13 177.126 0.100 . 1 . . . A 124 TYR C . 17865 1 1121 . 1 1 99 99 TYR CA C 13 60.211 0.153 . 1 . . . A 124 TYR CA . 17865 1 1122 . 1 1 99 99 TYR CB C 13 38.271 0.059 . 1 . . . A 124 TYR CB . 17865 1 1123 . 1 1 99 99 TYR CD1 C 13 132.877 0.011 . 1 . . . A 124 TYR CD1 . 17865 1 1124 . 1 1 99 99 TYR CD2 C 13 132.877 0.011 . 1 . . . A 124 TYR CD2 . 17865 1 1125 . 1 1 99 99 TYR N N 15 122.378 0.100 . 1 . . . A 124 TYR N . 17865 1 1126 . 1 1 100 100 GLU H H 1 8.385 0.002 . 1 . . . A 125 GLU H . 17865 1 1127 . 1 1 100 100 GLU HA H 1 4.268 0.021 . 1 . . . A 125 GLU HA . 17865 1 1128 . 1 1 100 100 GLU HB2 H 1 2.027 0.002 . 1 . . . A 125 GLU HB2 . 17865 1 1129 . 1 1 100 100 GLU HB3 H 1 2.027 0.002 . 1 . . . A 125 GLU HB3 . 17865 1 1130 . 1 1 100 100 GLU HG2 H 1 1.975 0.006 . 1 . . . A 125 GLU HG2 . 17865 1 1131 . 1 1 100 100 GLU HG3 H 1 1.975 0.006 . 1 . . . A 125 GLU HG3 . 17865 1 1132 . 1 1 100 100 GLU C C 13 177.387 0.100 . 1 . . . A 125 GLU C . 17865 1 1133 . 1 1 100 100 GLU CA C 13 55.759 0.077 . 1 . . . A 125 GLU CA . 17865 1 1134 . 1 1 100 100 GLU CB C 13 27.321 0.189 . 1 . . . A 125 GLU CB . 17865 1 1135 . 1 1 100 100 GLU CG C 13 36.488 0.072 . 1 . . . A 125 GLU CG . 17865 1 1136 . 1 1 100 100 GLU N N 15 118.610 0.100 . 1 . . . A 125 GLU N . 17865 1 1137 . 1 1 101 101 SER H H 1 7.823 0.002 . 1 . . . A 126 SER H . 17865 1 1138 . 1 1 101 101 SER HA H 1 3.959 0.008 . 1 . . . A 126 SER HA . 17865 1 1139 . 1 1 101 101 SER C C 13 176.047 0.100 . 1 . . . A 126 SER C . 17865 1 1140 . 1 1 101 101 SER CA C 13 62.439 0.236 . 1 . . . A 126 SER CA . 17865 1 1141 . 1 1 101 101 SER CB C 13 63.299 0.019 . 1 . . . A 126 SER CB . 17865 1 1142 . 1 1 101 101 SER N N 15 115.949 0.100 . 1 . . . A 126 SER N . 17865 1 1143 . 1 1 102 102 ASP H H 1 8.683 0.002 . 1 . . . A 127 ASP H . 17865 1 1144 . 1 1 102 102 ASP HA H 1 4.407 0.011 . 1 . . . A 127 ASP HA . 17865 1 1145 . 1 1 102 102 ASP HB2 H 1 2.657 0.011 . 1 . . . A 127 ASP HB2 . 17865 1 1146 . 1 1 102 102 ASP HB3 H 1 2.657 0.011 . 1 . . . A 127 ASP HB3 . 17865 1 1147 . 1 1 102 102 ASP C C 13 178.234 0.100 . 1 . . . A 127 ASP C . 17865 1 1148 . 1 1 102 102 ASP CA C 13 57.411 0.146 . 1 . . . A 127 ASP CA . 17865 1 1149 . 1 1 102 102 ASP CB C 13 39.716 0.169 . 1 . . . A 127 ASP CB . 17865 1 1150 . 1 1 102 102 ASP N N 15 120.920 0.100 . 1 . . . A 127 ASP N . 17865 1 1151 . 1 1 103 103 LYS H H 1 7.771 0.002 . 1 . . . A 128 LYS H . 17865 1 1152 . 1 1 103 103 LYS HA H 1 4.004 0.009 . 1 . . . A 128 LYS HA . 17865 1 1153 . 1 1 103 103 LYS HB2 H 1 1.860 0.017 . 1 . . . A 128 LYS HB2 . 17865 1 1154 . 1 1 103 103 LYS HB3 H 1 1.860 0.017 . 1 . . . A 128 LYS HB3 . 17865 1 1155 . 1 1 103 103 LYS HG2 H 1 1.362 0.001 . 2 . . . A 128 LYS HG2 . 17865 1 1156 . 1 1 103 103 LYS HG3 H 1 1.494 0.001 . 2 . . . A 128 LYS HG3 . 17865 1 1157 . 1 1 103 103 LYS HD2 H 1 1.634 0.010 . 1 . . . A 128 LYS HD2 . 17865 1 1158 . 1 1 103 103 LYS HD3 H 1 1.634 0.010 . 1 . . . A 128 LYS HD3 . 17865 1 1159 . 1 1 103 103 LYS HE2 H 1 2.947 0.004 . 1 . . . A 128 LYS HE2 . 17865 1 1160 . 1 1 103 103 LYS HE3 H 1 2.947 0.004 . 1 . . . A 128 LYS HE3 . 17865 1 1161 . 1 1 103 103 LYS C C 13 179.395 0.100 . 1 . . . A 128 LYS C . 17865 1 1162 . 1 1 103 103 LYS CA C 13 59.471 0.092 . 1 . . . A 128 LYS CA . 17865 1 1163 . 1 1 103 103 LYS CB C 13 32.401 0.168 . 1 . . . A 128 LYS CB . 17865 1 1164 . 1 1 103 103 LYS CG C 13 24.921 0.053 . 1 . . . A 128 LYS CG . 17865 1 1165 . 1 1 103 103 LYS CD C 13 29.349 0.070 . 1 . . . A 128 LYS CD . 17865 1 1166 . 1 1 103 103 LYS CE C 13 42.243 0.097 . 1 . . . A 128 LYS CE . 17865 1 1167 . 1 1 103 103 LYS N N 15 121.753 0.100 . 1 . . . A 128 LYS N . 17865 1 1168 . 1 1 104 104 CYS H H 1 7.973 0.002 . 1 . . . A 129 CYS H . 17865 1 1169 . 1 1 104 104 CYS HA H 1 4.194 0.007 . 1 . . . A 129 CYS HA . 17865 1 1170 . 1 1 104 104 CYS HB2 H 1 3.370 0.002 . 1 . . . A 129 CYS HB2 . 17865 1 1171 . 1 1 104 104 CYS HB3 H 1 3.173 0.002 . 2 . . . A 129 CYS HB3 . 17865 1 1172 . 1 1 104 104 CYS C C 13 176.779 0.100 . 1 . . . A 129 CYS C . 17865 1 1173 . 1 1 104 104 CYS CA C 13 59.790 0.103 . 1 . . . A 129 CYS CA . 17865 1 1174 . 1 1 104 104 CYS CB C 13 36.879 0.055 . 1 . . . A 129 CYS CB . 17865 1 1175 . 1 1 104 104 CYS N N 15 120.109 0.100 . 1 . . . A 129 CYS N . 17865 1 1176 . 1 1 105 105 LEU H H 1 8.666 0.002 . 1 . . . A 130 LEU H . 17865 1 1177 . 1 1 105 105 LEU HA H 1 4.090 0.006 . 1 . . . A 130 LEU HA . 17865 1 1178 . 1 1 105 105 LEU HB2 H 1 1.905 0.001 . 2 . . . A 130 LEU HB2 . 17865 1 1179 . 1 1 105 105 LEU HB3 H 1 1.658 0.001 . 2 . . . A 130 LEU HB3 . 17865 1 1180 . 1 1 105 105 LEU HG H 1 1.797 0.004 . 1 . . . A 130 LEU HG . 17865 1 1181 . 1 1 105 105 LEU HD21 H 1 1.074 0.012 . 1 . . . A 130 LEU HD21 . 17865 1 1182 . 1 1 105 105 LEU HD22 H 1 1.074 0.012 . 1 . . . A 130 LEU HD22 . 17865 1 1183 . 1 1 105 105 LEU HD23 H 1 1.074 0.012 . 1 . . . A 130 LEU HD23 . 17865 1 1184 . 1 1 105 105 LEU C C 13 179.373 0.100 . 1 . . . A 130 LEU C . 17865 1 1185 . 1 1 105 105 LEU CA C 13 57.368 0.128 . 1 . . . A 130 LEU CA . 17865 1 1186 . 1 1 105 105 LEU CB C 13 42.098 0.083 . 1 . . . A 130 LEU CB . 17865 1 1187 . 1 1 105 105 LEU CG C 13 27.044 0.074 . 1 . . . A 130 LEU CG . 17865 1 1188 . 1 1 105 105 LEU CD2 C 13 25.249 0.007 . 2 . . . A 130 LEU CD2 . 17865 1 1189 . 1 1 105 105 LEU N N 15 121.804 0.100 . 1 . . . A 130 LEU N . 17865 1 1190 . 1 1 106 106 ASN H H 1 8.438 0.002 . 1 . . . A 131 ASN H . 17865 1 1191 . 1 1 106 106 ASN HA H 1 4.238 0.011 . 1 . . . A 131 ASN HA . 17865 1 1192 . 1 1 106 106 ASN HB2 H 1 2.844 0.005 . 2 . . . A 131 ASN HB2 . 17865 1 1193 . 1 1 106 106 ASN HB3 H 1 2.753 0.005 . 2 . . . A 131 ASN HB3 . 17865 1 1194 . 1 1 106 106 ASN HD21 H 1 6.899 0.002 . 2 . . . A 131 ASN HD21 . 17865 1 1195 . 1 1 106 106 ASN HD22 H 1 7.507 0.002 . 2 . . . A 131 ASN HD22 . 17865 1 1196 . 1 1 106 106 ASN C C 13 177.830 0.100 . 1 . . . A 131 ASN C . 17865 1 1197 . 1 1 106 106 ASN CA C 13 56.256 0.081 . 1 . . . A 131 ASN CA . 17865 1 1198 . 1 1 106 106 ASN CB C 13 37.817 0.056 . 1 . . . A 131 ASN CB . 17865 1 1199 . 1 1 106 106 ASN N N 15 118.535 0.100 . 1 . . . A 131 ASN N . 17865 1 1200 . 1 1 106 106 ASN ND2 N 15 111.953 0.007 . 1 . . . A 131 ASN ND2 . 17865 1 1201 . 1 1 107 107 ALA H H 1 7.541 0.002 . 1 . . . A 132 ALA H . 17865 1 1202 . 1 1 107 107 ALA HA H 1 4.219 0.004 . 1 . . . A 132 ALA HA . 17865 1 1203 . 1 1 107 107 ALA HB1 H 1 1.545 0.005 . 1 . . . A 132 ALA HB1 . 17865 1 1204 . 1 1 107 107 ALA HB2 H 1 1.545 0.005 . 1 . . . A 132 ALA HB2 . 17865 1 1205 . 1 1 107 107 ALA HB3 H 1 1.545 0.005 . 1 . . . A 132 ALA HB3 . 17865 1 1206 . 1 1 107 107 ALA C C 13 180.726 0.100 . 1 . . . A 132 ALA C . 17865 1 1207 . 1 1 107 107 ALA CA C 13 54.963 0.181 . 1 . . . A 132 ALA CA . 17865 1 1208 . 1 1 107 107 ALA CB C 13 17.821 0.070 . 1 . . . A 132 ALA CB . 17865 1 1209 . 1 1 107 107 ALA N N 15 121.485 0.100 . 1 . . . A 132 ALA N . 17865 1 1210 . 1 1 108 108 ILE H H 1 7.551 0.002 . 1 . . . A 133 ILE H . 17865 1 1211 . 1 1 108 108 ILE HA H 1 3.931 0.007 . 1 . . . A 133 ILE HA . 17865 1 1212 . 1 1 108 108 ILE HB H 1 2.471 0.008 . 1 . . . A 133 ILE HB . 17865 1 1213 . 1 1 108 108 ILE HG12 H 1 1.527 0.008 . 2 . . . A 133 ILE HG12 . 17865 1 1214 . 1 1 108 108 ILE HG13 H 1 1.924 0.004 . 2 . . . A 133 ILE HG13 . 17865 1 1215 . 1 1 108 108 ILE HG21 H 1 1.455 0.013 . 1 . . . A 133 ILE HG21 . 17865 1 1216 . 1 1 108 108 ILE HG22 H 1 1.455 0.013 . 1 . . . A 133 ILE HG22 . 17865 1 1217 . 1 1 108 108 ILE HG23 H 1 1.455 0.013 . 1 . . . A 133 ILE HG23 . 17865 1 1218 . 1 1 108 108 ILE HD11 H 1 0.826 0.003 . 1 . . . A 133 ILE HD11 . 17865 1 1219 . 1 1 108 108 ILE HD12 H 1 0.826 0.003 . 1 . . . A 133 ILE HD12 . 17865 1 1220 . 1 1 108 108 ILE HD13 H 1 0.826 0.003 . 1 . . . A 133 ILE HD13 . 17865 1 1221 . 1 1 108 108 ILE C C 13 178.114 0.100 . 1 . . . A 133 ILE C . 17865 1 1222 . 1 1 108 108 ILE CA C 13 63.353 0.040 . 1 . . . A 133 ILE CA . 17865 1 1223 . 1 1 108 108 ILE CB C 13 36.454 0.127 . 1 . . . A 133 ILE CB . 17865 1 1224 . 1 1 108 108 ILE CG1 C 13 28.555 0.053 . 1 . . . A 133 ILE CG1 . 17865 1 1225 . 1 1 108 108 ILE CG2 C 13 19.445 0.030 . 1 . . . A 133 ILE CG2 . 17865 1 1226 . 1 1 108 108 ILE CD1 C 13 11.276 0.057 . 1 . . . A 133 ILE CD1 . 17865 1 1227 . 1 1 108 108 ILE N N 15 120.979 0.100 . 1 . . . A 133 ILE N . 17865 1 1228 . 1 1 109 109 LYS H H 1 8.414 0.002 . 1 . . . A 134 LYS H . 17865 1 1229 . 1 1 109 109 LYS HA H 1 3.588 0.007 . 1 . . . A 134 LYS HA . 17865 1 1230 . 1 1 109 109 LYS HB2 H 1 1.450 0.005 . 2 . . . A 134 LYS HB2 . 17865 1 1231 . 1 1 109 109 LYS HB3 H 1 1.289 0.009 . 2 . . . A 134 LYS HB3 . 17865 1 1232 . 1 1 109 109 LYS HG2 H 1 -0.108 0.008 . 2 . . . A 134 LYS HG2 . 17865 1 1233 . 1 1 109 109 LYS HG3 H 1 0.660 0.009 . 2 . . . A 134 LYS HG3 . 17865 1 1234 . 1 1 109 109 LYS HD2 H 1 1.284 0.004 . 1 . . . A 134 LYS HD2 . 17865 1 1235 . 1 1 109 109 LYS HD3 H 1 1.284 0.004 . 1 . . . A 134 LYS HD3 . 17865 1 1236 . 1 1 109 109 LYS HE2 H 1 2.572 0.004 . 2 . . . A 134 LYS HE2 . 17865 1 1237 . 1 1 109 109 LYS HE3 H 1 2.465 0.005 . 2 . . . A 134 LYS HE3 . 17865 1 1238 . 1 1 109 109 LYS C C 13 179.561 0.100 . 1 . . . A 134 LYS C . 17865 1 1239 . 1 1 109 109 LYS CA C 13 60.108 0.165 . 1 . . . A 134 LYS CA . 17865 1 1240 . 1 1 109 109 LYS CB C 13 32.161 0.063 . 1 . . . A 134 LYS CB . 17865 1 1241 . 1 1 109 109 LYS CG C 13 24.405 0.143 . 1 . . . A 134 LYS CG . 17865 1 1242 . 1 1 109 109 LYS CD C 13 29.551 0.101 . 1 . . . A 134 LYS CD . 17865 1 1243 . 1 1 109 109 LYS CE C 13 42.449 0.109 . 1 . . . A 134 LYS CE . 17865 1 1244 . 1 1 109 109 LYS N N 15 121.415 0.100 . 1 . . . A 134 LYS N . 17865 1 1245 . 1 1 110 110 GLU H H 1 7.473 0.002 . 1 . . . A 135 GLU H . 17865 1 1246 . 1 1 110 110 GLU HA H 1 3.929 0.004 . 1 . . . A 135 GLU HA . 17865 1 1247 . 1 1 110 110 GLU HB2 H 1 2.011 0.010 . 1 . . . A 135 GLU HB2 . 17865 1 1248 . 1 1 110 110 GLU HB3 H 1 2.011 0.010 . 1 . . . A 135 GLU HB3 . 17865 1 1249 . 1 1 110 110 GLU HG2 H 1 2.274 0.005 . 1 . . . A 135 GLU HG2 . 17865 1 1250 . 1 1 110 110 GLU HG3 H 1 2.274 0.005 . 1 . . . A 135 GLU HG3 . 17865 1 1251 . 1 1 110 110 GLU C C 13 178.239 0.100 . 1 . . . A 135 GLU C . 17865 1 1252 . 1 1 110 110 GLU CA C 13 58.646 0.093 . 1 . . . A 135 GLU CA . 17865 1 1253 . 1 1 110 110 GLU CB C 13 29.638 0.175 . 1 . . . A 135 GLU CB . 17865 1 1254 . 1 1 110 110 GLU CG C 13 35.990 0.037 . 1 . . . A 135 GLU CG . 17865 1 1255 . 1 1 110 110 GLU N N 15 116.099 0.100 . 1 . . . A 135 GLU N . 17865 1 1256 . 1 1 111 111 LYS H H 1 7.540 0.002 . 1 . . . A 136 LYS H . 17865 1 1257 . 1 1 111 111 LYS HA H 1 3.906 0.003 . 1 . . . A 136 LYS HA . 17865 1 1258 . 1 1 111 111 LYS HB2 H 1 1.782 0.003 . 2 . . . A 136 LYS HB2 . 17865 1 1259 . 1 1 111 111 LYS HB3 H 1 1.845 0.001 . 2 . . . A 136 LYS HB3 . 17865 1 1260 . 1 1 111 111 LYS HG2 H 1 0.371 0.004 . 2 . . . A 136 LYS HG2 . 17865 1 1261 . 1 1 111 111 LYS HG3 H 1 1.172 0.004 . 2 . . . A 136 LYS HG3 . 17865 1 1262 . 1 1 111 111 LYS HD2 H 1 1.539 0.001 . 2 . . . A 136 LYS HD2 . 17865 1 1263 . 1 1 111 111 LYS HD3 H 1 1.506 0.001 . 2 . . . A 136 LYS HD3 . 17865 1 1264 . 1 1 111 111 LYS HE2 H 1 2.687 0.001 . 2 . . . A 136 LYS HE2 . 17865 1 1265 . 1 1 111 111 LYS HE3 H 1 2.803 0.002 . 2 . . . A 136 LYS HE3 . 17865 1 1266 . 1 1 111 111 LYS C C 13 177.600 0.100 . 1 . . . A 136 LYS C . 17865 1 1267 . 1 1 111 111 LYS CA C 13 58.749 0.104 . 1 . . . A 136 LYS CA . 17865 1 1268 . 1 1 111 111 LYS CB C 13 33.238 0.004 . 1 . . . A 136 LYS CB . 17865 1 1269 . 1 1 111 111 LYS CG C 13 24.783 0.041 . 1 . . . A 136 LYS CG . 17865 1 1270 . 1 1 111 111 LYS CD C 13 30.111 0.070 . 1 . . . A 136 LYS CD . 17865 1 1271 . 1 1 111 111 LYS CE C 13 42.289 0.097 . 1 . . . A 136 LYS CE . 17865 1 1272 . 1 1 111 111 LYS N N 15 119.805 0.100 . 1 . . . A 136 LYS N . 17865 1 1273 . 1 1 112 112 TYR H H 1 7.488 0.002 . 1 . . . A 137 TYR H . 17865 1 1274 . 1 1 112 112 TYR HA H 1 4.523 0.002 . 1 . . . A 137 TYR HA . 17865 1 1275 . 1 1 112 112 TYR HB2 H 1 2.718 0.002 . 2 . . . A 137 TYR HB2 . 17865 1 1276 . 1 1 112 112 TYR HB3 H 1 3.330 0.035 . 2 . . . A 137 TYR HB3 . 17865 1 1277 . 1 1 112 112 TYR HD1 H 1 7.405 0.008 . 3 . . . A 137 TYR HD1 . 17865 1 1278 . 1 1 112 112 TYR HD2 H 1 7.405 0.008 . 3 . . . A 137 TYR HD2 . 17865 1 1279 . 1 1 112 112 TYR HE1 H 1 6.986 0.012 . 3 . . . A 137 TYR HE1 . 17865 1 1280 . 1 1 112 112 TYR HE2 H 1 6.986 0.012 . 3 . . . A 137 TYR HE2 . 17865 1 1281 . 1 1 112 112 TYR C C 13 174.690 0.100 . 1 . . . A 137 TYR C . 17865 1 1282 . 1 1 112 112 TYR CA C 13 58.359 0.103 . 1 . . . A 137 TYR CA . 17865 1 1283 . 1 1 112 112 TYR CB C 13 38.328 0.066 . 1 . . . A 137 TYR CB . 17865 1 1284 . 1 1 112 112 TYR CD1 C 13 133.636 0.193 . 1 . . . A 137 TYR CD1 . 17865 1 1285 . 1 1 112 112 TYR CD2 C 13 133.636 0.193 . 1 . . . A 137 TYR CD2 . 17865 1 1286 . 1 1 112 112 TYR CE1 C 13 117.644 0.142 . 1 . . . A 137 TYR CE1 . 17865 1 1287 . 1 1 112 112 TYR CE2 C 13 117.644 0.142 . 1 . . . A 137 TYR CE2 . 17865 1 1288 . 1 1 112 112 TYR N N 15 114.768 0.100 . 1 . . . A 137 TYR N . 17865 1 1289 . 1 1 113 113 LYS H H 1 7.217 0.002 . 1 . . . A 138 LYS H . 17865 1 1290 . 1 1 113 113 LYS HA H 1 4.501 0.007 . 1 . . . A 138 LYS HA . 17865 1 1291 . 1 1 113 113 LYS HB2 H 1 1.854 0.005 . 1 . . . A 138 LYS HB2 . 17865 1 1292 . 1 1 113 113 LYS HB3 H 1 1.854 0.005 . 1 . . . A 138 LYS HB3 . 17865 1 1293 . 1 1 113 113 LYS HG2 H 1 1.487 0.005 . 1 . . . A 138 LYS HG2 . 17865 1 1294 . 1 1 113 113 LYS HG3 H 1 1.487 0.005 . 1 . . . A 138 LYS HG3 . 17865 1 1295 . 1 1 113 113 LYS HD2 H 1 1.675 0.009 . 1 . . . A 138 LYS HD2 . 17865 1 1296 . 1 1 113 113 LYS HD3 H 1 1.675 0.009 . 1 . . . A 138 LYS HD3 . 17865 1 1297 . 1 1 113 113 LYS HE2 H 1 2.959 0.013 . 1 . . . A 138 LYS HE2 . 17865 1 1298 . 1 1 113 113 LYS HE3 H 1 2.959 0.013 . 1 . . . A 138 LYS HE3 . 17865 1 1299 . 1 1 113 113 LYS CA C 13 55.282 0.151 . 1 . . . A 138 LYS CA . 17865 1 1300 . 1 1 113 113 LYS CB C 13 32.124 0.031 . 1 . . . A 138 LYS CB . 17865 1 1301 . 1 1 113 113 LYS CG C 13 24.409 0.037 . 1 . . . A 138 LYS CG . 17865 1 1302 . 1 1 113 113 LYS CD C 13 29.645 0.033 . 1 . . . A 138 LYS CD . 17865 1 1303 . 1 1 113 113 LYS CE C 13 42.227 0.063 . 1 . . . A 138 LYS CE . 17865 1 1304 . 1 1 113 113 LYS N N 15 123.694 0.100 . 1 . . . A 138 LYS N . 17865 1 1305 . 1 1 114 114 PRO HA H 1 4.452 0.007 . 1 . . . A 139 PRO HA . 17865 1 1306 . 1 1 114 114 PRO HB2 H 1 1.898 0.003 . 2 . . . A 139 PRO HB2 . 17865 1 1307 . 1 1 114 114 PRO HB3 H 1 2.325 0.007 . 2 . . . A 139 PRO HB3 . 17865 1 1308 . 1 1 114 114 PRO HG2 H 1 2.062 0.005 . 1 . . . A 139 PRO HG2 . 17865 1 1309 . 1 1 114 114 PRO HG3 H 1 2.062 0.005 . 1 . . . A 139 PRO HG3 . 17865 1 1310 . 1 1 114 114 PRO HD2 H 1 3.647 0.001 . 2 . . . A 139 PRO HD2 . 17865 1 1311 . 1 1 114 114 PRO HD3 H 1 3.924 0.004 . 2 . . . A 139 PRO HD3 . 17865 1 1312 . 1 1 114 114 PRO C C 13 176.974 0.100 . 1 . . . A 139 PRO C . 17865 1 1313 . 1 1 114 114 PRO CA C 13 63.189 0.139 . 1 . . . A 139 PRO CA . 17865 1 1314 . 1 1 114 114 PRO CB C 13 32.251 0.094 . 1 . . . A 139 PRO CB . 17865 1 1315 . 1 1 114 114 PRO CG C 13 27.846 0.031 . 1 . . . A 139 PRO CG . 17865 1 1316 . 1 1 114 114 PRO CD C 13 50.704 0.031 . 1 . . . A 139 PRO CD . 17865 1 1317 . 1 1 115 115 VAL H H 1 8.272 0.002 . 1 . . . A 140 VAL H . 17865 1 1318 . 1 1 115 115 VAL HA H 1 4.102 0.004 . 1 . . . A 140 VAL HA . 17865 1 1319 . 1 1 115 115 VAL HB H 1 2.058 0.005 . 1 . . . A 140 VAL HB . 17865 1 1320 . 1 1 115 115 VAL HG11 H 1 0.959 0.021 . 1 . . . A 140 VAL HG11 . 17865 1 1321 . 1 1 115 115 VAL HG12 H 1 0.959 0.021 . 1 . . . A 140 VAL HG12 . 17865 1 1322 . 1 1 115 115 VAL HG13 H 1 0.959 0.021 . 1 . . . A 140 VAL HG13 . 17865 1 1323 . 1 1 115 115 VAL HG21 H 1 0.928 0.001 . 1 . . . A 140 VAL HG21 . 17865 1 1324 . 1 1 115 115 VAL HG22 H 1 0.928 0.001 . 1 . . . A 140 VAL HG22 . 17865 1 1325 . 1 1 115 115 VAL HG23 H 1 0.928 0.001 . 1 . . . A 140 VAL HG23 . 17865 1 1326 . 1 1 115 115 VAL C C 13 176.207 0.100 . 1 . . . A 140 VAL C . 17865 1 1327 . 1 1 115 115 VAL CA C 13 62.356 0.116 . 1 . . . A 140 VAL CA . 17865 1 1328 . 1 1 115 115 VAL CB C 13 33.256 0.011 . 1 . . . A 140 VAL CB . 17865 1 1329 . 1 1 115 115 VAL CG1 C 13 20.784 0.020 . 1 . . . A 140 VAL CG1 . 17865 1 1330 . 1 1 115 115 VAL CG2 C 13 20.784 0.020 . 1 . . . A 140 VAL CG2 . 17865 1 1331 . 1 1 115 115 VAL N N 15 121.098 0.100 . 1 . . . A 140 VAL N . 17865 1 1332 . 1 1 116 116 VAL H H 1 8.142 0.002 . 1 . . . A 141 VAL H . 17865 1 1333 . 1 1 116 116 VAL HA H 1 4.122 0.005 . 1 . . . A 141 VAL HA . 17865 1 1334 . 1 1 116 116 VAL HB H 1 2.002 0.007 . 1 . . . A 141 VAL HB . 17865 1 1335 . 1 1 116 116 VAL HG11 H 1 0.884 0.009 . 1 . . . A 141 VAL HG11 . 17865 1 1336 . 1 1 116 116 VAL HG12 H 1 0.884 0.009 . 1 . . . A 141 VAL HG12 . 17865 1 1337 . 1 1 116 116 VAL HG13 H 1 0.884 0.009 . 1 . . . A 141 VAL HG13 . 17865 1 1338 . 1 1 116 116 VAL HG21 H 1 0.884 0.009 . 1 . . . A 141 VAL HG21 . 17865 1 1339 . 1 1 116 116 VAL HG22 H 1 0.884 0.009 . 1 . . . A 141 VAL HG22 . 17865 1 1340 . 1 1 116 116 VAL HG23 H 1 0.884 0.009 . 1 . . . A 141 VAL HG23 . 17865 1 1341 . 1 1 116 116 VAL C C 13 175.415 0.100 . 1 . . . A 141 VAL C . 17865 1 1342 . 1 1 116 116 VAL CA C 13 61.731 0.090 . 1 . . . A 141 VAL CA . 17865 1 1343 . 1 1 116 116 VAL CB C 13 33.145 0.068 . 1 . . . A 141 VAL CB . 17865 1 1344 . 1 1 116 116 VAL CG1 C 13 20.869 0.031 . 1 . . . A 141 VAL CG1 . 17865 1 1345 . 1 1 116 116 VAL CG2 C 13 20.869 0.031 . 1 . . . A 141 VAL CG2 . 17865 1 1346 . 1 1 116 116 VAL N N 15 124.167 0.100 . 1 . . . A 141 VAL N . 17865 1 1347 . 1 1 117 117 ASP H H 1 8.419 0.002 . 1 . . . A 142 ASP H . 17865 1 1348 . 1 1 117 117 ASP HA H 1 4.812 0.007 . 1 . . . A 142 ASP HA . 17865 1 1349 . 1 1 117 117 ASP HB2 H 1 2.504 0.002 . 2 . . . A 142 ASP HB2 . 17865 1 1350 . 1 1 117 117 ASP HB3 H 1 2.744 0.005 . 2 . . . A 142 ASP HB3 . 17865 1 1351 . 1 1 117 117 ASP CA C 13 52.217 0.169 . 1 . . . A 142 ASP CA . 17865 1 1352 . 1 1 117 117 ASP CB C 13 41.368 0.099 . 1 . . . A 142 ASP CB . 17865 1 1353 . 1 1 117 117 ASP N N 15 126.737 0.100 . 1 . . . A 142 ASP N . 17865 1 1354 . 1 1 118 118 PRO HA H 1 4.411 0.002 . 1 . . . A 143 PRO HA . 17865 1 1355 . 1 1 118 118 PRO HB2 H 1 2.230 0.005 . 2 . . . A 143 PRO HB2 . 17865 1 1356 . 1 1 118 118 PRO HB3 H 1 1.953 0.001 . 2 . . . A 143 PRO HB3 . 17865 1 1357 . 1 1 118 118 PRO HG2 H 1 1.952 0.001 . 2 . . . A 143 PRO HG2 . 17865 1 1358 . 1 1 118 118 PRO HG3 H 1 2.010 0.001 . 2 . . . A 143 PRO HG3 . 17865 1 1359 . 1 1 118 118 PRO HD2 H 1 3.839 0.001 . 1 . . . A 143 PRO HD2 . 17865 1 1360 . 1 1 118 118 PRO HD3 H 1 3.839 0.001 . 1 . . . A 143 PRO HD3 . 17865 1 1361 . 1 1 118 118 PRO C C 13 176.662 0.100 . 1 . . . A 143 PRO C . 17865 1 1362 . 1 1 118 118 PRO CA C 13 63.247 0.085 . 1 . . . A 143 PRO CA . 17865 1 1363 . 1 1 118 118 PRO CB C 13 32.310 0.158 . 1 . . . A 143 PRO CB . 17865 1 1364 . 1 1 118 118 PRO CG C 13 26.747 0.053 . 1 . . . A 143 PRO CG . 17865 1 1365 . 1 1 118 118 PRO CD C 13 50.715 0.014 . 1 . . . A 143 PRO CD . 17865 1 1366 . 1 1 119 119 ASN H H 1 8.432 0.002 . 1 . . . A 144 ASN H . 17865 1 1367 . 1 1 119 119 ASN HA H 1 4.947 0.009 . 1 . . . A 144 ASN HA . 17865 1 1368 . 1 1 119 119 ASN HB2 H 1 2.712 0.001 . 2 . . . A 144 ASN HB2 . 17865 1 1369 . 1 1 119 119 ASN HB3 H 1 2.628 0.006 . 2 . . . A 144 ASN HB3 . 17865 1 1370 . 1 1 119 119 ASN HD21 H 1 7.723 0.002 . 2 . . . A 144 ASN HD21 . 17865 1 1371 . 1 1 119 119 ASN HD22 H 1 6.895 0.002 . 2 . . . A 144 ASN HD22 . 17865 1 1372 . 1 1 119 119 ASN CA C 13 51.633 0.129 . 1 . . . A 144 ASN CA . 17865 1 1373 . 1 1 119 119 ASN CB C 13 38.859 0.063 . 1 . . . A 144 ASN CB . 17865 1 1374 . 1 1 119 119 ASN N N 15 119.287 0.100 . 1 . . . A 144 ASN N . 17865 1 1375 . 1 1 119 119 ASN ND2 N 15 113.876 0.007 . 1 . . . A 144 ASN ND2 . 17865 1 1376 . 1 1 120 120 PRO HA H 1 4.680 0.001 . 1 . . . A 145 PRO HA . 17865 1 1377 . 1 1 120 120 PRO HB2 H 1 2.301 0.004 . 2 . . . A 145 PRO HB2 . 17865 1 1378 . 1 1 120 120 PRO HB3 H 1 1.922 0.002 . 2 . . . A 145 PRO HB3 . 17865 1 1379 . 1 1 120 120 PRO HG2 H 1 2.013 0.001 . 1 . . . A 145 PRO HG2 . 17865 1 1380 . 1 1 120 120 PRO HG3 H 1 2.013 0.001 . 1 . . . A 145 PRO HG3 . 17865 1 1381 . 1 1 120 120 PRO HD2 H 1 3.605 0.004 . 2 . . . A 145 PRO HD2 . 17865 1 1382 . 1 1 120 120 PRO HD3 H 1 3.745 0.003 . 2 . . . A 145 PRO HD3 . 17865 1 1383 . 1 1 120 120 PRO CA C 13 61.640 0.034 . 1 . . . A 145 PRO CA . 17865 1 1384 . 1 1 120 120 PRO CB C 13 30.918 0.051 . 1 . . . A 145 PRO CB . 17865 1 1385 . 1 1 120 120 PRO CG C 13 27.268 0.005 . 1 . . . A 145 PRO CG . 17865 1 1386 . 1 1 120 120 PRO CD C 13 50.509 0.036 . 1 . . . A 145 PRO CD . 17865 1 1387 . 1 1 121 121 PRO HA H 1 4.377 0.005 . 1 . . . A 146 PRO HA . 17865 1 1388 . 1 1 121 121 PRO HB2 H 1 2.261 0.003 . 2 . . . A 146 PRO HB2 . 17865 1 1389 . 1 1 121 121 PRO HB3 H 1 1.952 0.003 . 2 . . . A 146 PRO HB3 . 17865 1 1390 . 1 1 121 121 PRO HG2 H 1 2.015 0.001 . 1 . . . A 146 PRO HG2 . 17865 1 1391 . 1 1 121 121 PRO HG3 H 1 2.015 0.001 . 1 . . . A 146 PRO HG3 . 17865 1 1392 . 1 1 121 121 PRO HD2 H 1 3.798 0.001 . 2 . . . A 146 PRO HD2 . 17865 1 1393 . 1 1 121 121 PRO HD3 H 1 3.621 0.003 . 2 . . . A 146 PRO HD3 . 17865 1 1394 . 1 1 121 121 PRO C C 13 175.876 0.100 . 1 . . . A 146 PRO C . 17865 1 1395 . 1 1 121 121 PRO CA C 13 63.174 0.124 . 1 . . . A 146 PRO CA . 17865 1 1396 . 1 1 121 121 PRO CB C 13 31.939 0.047 . 1 . . . A 146 PRO CB . 17865 1 1397 . 1 1 121 121 PRO CG C 13 27.005 0.052 . 1 . . . A 146 PRO CG . 17865 1 1398 . 1 1 121 121 PRO CD C 13 50.582 0.004 . 1 . . . A 146 PRO CD . 17865 1 1399 . 1 1 122 122 ALA H H 1 7.935 0.002 . 1 . . . A 147 ALA H . 17865 1 1400 . 1 1 122 122 ALA HA H 1 4.082 0.004 . 1 . . . A 147 ALA HA . 17865 1 1401 . 1 1 122 122 ALA HB1 H 1 1.301 0.012 . 1 . . . A 147 ALA HB1 . 17865 1 1402 . 1 1 122 122 ALA HB2 H 1 1.301 0.012 . 1 . . . A 147 ALA HB2 . 17865 1 1403 . 1 1 122 122 ALA HB3 H 1 1.301 0.012 . 1 . . . A 147 ALA HB3 . 17865 1 1404 . 1 1 122 122 ALA CA C 13 53.730 0.091 . 1 . . . A 147 ALA CA . 17865 1 1405 . 1 1 122 122 ALA CB C 13 20.181 0.172 . 1 . . . A 147 ALA CB . 17865 1 1406 . 1 1 122 122 ALA N N 15 130.109 0.100 . 1 . . . A 147 ALA N . 17865 1 stop_ save_ ############################# # Spectral density values # ############################# save_spectral_density_list_1 _Spectral_density_list.Sf_category spectral_density_values _Spectral_density_list.Sf_framecode spectral_density_list_1 _Spectral_density_list.Entry_ID 17865 _Spectral_density_list.ID 1 _Spectral_density_list.Sample_condition_list_ID 1 _Spectral_density_list.Sample_condition_list_label $sample_conditions_1 _Spectral_density_list.Details . _Spectral_density_list.Text_data_format . _Spectral_density_list.Text_data . loop_ _Spectral_density_experiment.Experiment_ID _Spectral_density_experiment.Experiment_name _Spectral_density_experiment.Sample_ID _Spectral_density_experiment.Sample_label _Spectral_density_experiment.Sample_state _Spectral_density_experiment.Entry_ID _Spectral_density_experiment.Spectral_density_list_ID 19 '2D 1H-15N R2 relaxation' 1 $sample_1 isotropic 17865 1 20 '2D 1H-15N R1 relaxation' 1 $sample_1 isotropic 17865 1 21 '2D 1H-15N heteronuclear NOE' 1 $sample_1 isotropic 17865 1 stop_ loop_ _Spectral_density.ID _Spectral_density.Assembly_atom_ID _Spectral_density.Entity_assembly_ID _Spectral_density.Entity_ID _Spectral_density.Comp_index_ID _Spectral_density.Seq_ID _Spectral_density.Comp_ID _Spectral_density.Atom_ID _Spectral_density.Atom_type _Spectral_density.Atom_isotope_number _Spectral_density.W_zero_val _Spectral_density.W_zero_val_err _Spectral_density.W_1H_val _Spectral_density.W_1H_val_err _Spectral_density.W_13C_val _Spectral_density.W_13C_val_err _Spectral_density.W_15N_val _Spectral_density.W_15N_val_err _Spectral_density.Resonance_ID _Spectral_density.Auth_entity_assembly_ID _Spectral_density.Auth_seq_ID _Spectral_density.Auth_comp_ID _Spectral_density.Auth_atom_ID _Spectral_density.Entry_ID _Spectral_density.Spectral_density_list_ID 1 . 1 1 3 3 VAL . . . 0.469568988 0.022600579 0.028529335 0.000919834 . . 0.222783625 0.006719621 . 1 3 VAL . 17865 1 2 . 1 1 4 4 PHE . . . 0.570008189 0.026860823 0.030410833 0.000962853 . . 0.265380629 0.007986740 . 1 4 PHE . 17865 1 3 . 1 1 5 5 ASP . . . 0.754555345 0.032898891 0.026233811 0.000821863 . . 0.306769529 0.009216060 . 1 5 ASP . 17865 1 4 . 1 1 8 8 THR . . . 1.467408669 0.054618810 0.020774231 0.000633851 . . 0.358172137 0.010747813 . 1 8 THR . 17865 1 5 . 1 1 9 9 GLN . . . 1.364885897 0.052076351 0.018688771 0.000601349 . . 0.383813216 0.011523143 . 1 9 GLN . 17865 1 6 . 1 1 10 10 TYR . . . 1.616732009 0.059410205 0.018097441 0.000630766 . . 0.382240046 0.011486345 . 1 10 TYR . 17865 1 7 . 1 1 11 11 GLY . . . 1.755045212 0.063346565 0.017068829 0.000638257 . . 0.379791662 0.011420868 . 1 11 GLY . 17865 1 8 . 1 1 12 12 TYR . . . 2.091999415 0.073639065 0.013724865 0.000562471 . . 0.403204969 0.012121991 . 1 12 TYR . 17865 1 9 . 1 1 13 13 ASP . . . 1.990250497 0.070946670 0.016239132 0.000585415 . . 0.407158181 0.012233115 . 1 13 ASP . 17865 1 10 . 1 1 14 14 GLY . . . 2.189509296 0.075922016 0.013882546 0.000601087 . . 0.378241799 0.011382479 . 1 14 GLY . 17865 1 11 . 1 1 15 15 LYS . . . 2.380827578 0.081431101 0.012781683 0.000522784 . . 0.374672595 0.011264092 . 1 15 LYS . 17865 1 12 . 1 1 17 17 LEU . . . 2.811723439 0.094217189 0.010160425 0.000532246 . . 0.381354113 0.011476030 . 1 17 LEU . 17865 1 13 . 1 1 18 18 ASP . . . 3.861825990 0.124298624 0.007336232 0.000502905 . . 0.337147335 0.010157410 . 1 18 ASP . 17865 1 14 . 1 1 20 20 SER . . . 3.659238679 0.119064184 0.007754520 0.000708376 . . 0.370065294 0.011187561 . 1 20 SER . 17865 1 15 . 1 1 21 21 PHE . . . 6.148615704 0.193202766 0.007247824 0.000636387 . . 0.354347603 0.010701897 . 1 21 PHE . 17865 1 16 . 1 1 22 22 CYS . . . 6.520764926 0.203795814 0.004132260 0.000535332 . . 0.341475906 0.010300541 . 1 22 CYS . 17865 1 17 . 1 1 23 23 ARG . . . 3.830988588 0.124746743 0.007078153 0.000582444 . . 0.395083294 0.011905269 . 1 23 ARG . 17865 1 18 . 1 1 24 24 THR . . . 5.617766528 0.199181070 0.007154642 0.000488056 . . 0.318726501 0.010692712 . 1 24 THR . 17865 1 19 . 1 1 26 26 GLY . . . 3.270988747 0.107927725 0.008756507 0.000597095 . . 0.386030447 0.011633699 . 1 26 GLY . 17865 1 20 . 1 1 28 28 ARG . . . 4.455350453 0.142139011 0.006376248 0.000503388 . . 0.343447140 0.010348159 . 1 28 ARG . 17865 1 21 . 1 1 29 29 GLU . . . 3.591518332 0.116879777 0.006616804 0.000541491 . . 0.367588156 0.011076583 . 1 29 GLU . 17865 1 22 . 1 1 30 30 LYS . . . 4.020152936 0.129723584 0.006433045 0.000546397 . . 0.368983510 0.011119696 . 1 30 LYS . 17865 1 23 . 1 1 31 31 ASP . . . 3.782449039 0.122098453 0.006977147 0.000500065 . . 0.345762545 0.010415163 . 1 31 ASP . 17865 1 24 . 1 1 32 32 CYS . . . 2.241080988 0.076438197 0.012148767 0.000481665 . . 0.343721710 0.010332125 . 1 32 CYS . 17865 1 25 . 1 1 33 33 ARG . . . 3.618045545 0.117777010 0.007964865 0.000525082 . . 0.367091078 0.011054955 . 1 33 ARG . 17865 1 26 . 1 1 34 34 LYS . . . 3.929238435 0.127079778 0.006543037 0.000549733 . . 0.371804387 0.011204395 . 1 34 LYS . 17865 1 27 . 1 1 35 35 ASP . . . 3.562715249 0.115624749 0.007091657 0.000505184 . . 0.349590081 0.010530276 . 1 35 ASP . 17865 1 28 . 1 1 36 36 VAL . . . 3.926395613 0.127258159 0.006224688 0.000575252 . . 0.383891446 0.011571393 . 1 36 VAL . 17865 1 29 . 1 1 37 37 GLN . . . 4.460159472 0.143031830 0.006504386 0.000554781 . . 0.374424144 0.011283776 . 1 37 GLN . 17865 1 30 . 1 1 38 38 ALA . . . 5.187863561 0.164201801 0.006534088 0.000509039 . . 0.347947212 0.010483375 . 1 38 ALA . 17865 1 31 . 1 1 41 41 LYS . . . 3.301386728 0.107569313 0.009002154 0.000464149 . . 0.332946083 0.010018739 . 1 41 LYS . 17865 1 32 . 1 1 42 42 LYS . . . 4.908022962 0.352862401 0.006432490 0.000590009 . . 0.286689860 0.020860738 . 1 42 LYS . 17865 1 33 . 1 1 43 43 TYR . . . 5.762816191 0.181991148 0.008032140 0.000523379 . . 0.366444197 0.011035091 . 1 43 TYR . 17865 1 34 . 1 1 44 44 ASP . . . 3.543024995 0.115302483 0.007187057 0.000522062 . . 0.360314971 0.010853925 . 1 44 ASP . 17865 1 35 . 1 1 45 45 ASP . . . 3.201287586 0.105137228 0.008805819 0.000815107 . . 0.356719072 0.010819331 . 1 45 ASP . 17865 1 36 . 1 1 46 46 GLN . . . 3.416979005 0.111698768 0.009078061 0.000505795 . . 0.360474970 0.010849987 . 1 46 GLN . 17865 1 37 . 1 1 47 47 GLY . . . 3.309639644 0.108659301 0.008665791 0.000521968 . . 0.368945981 0.011107753 . 1 47 GLY . 17865 1 38 . 1 1 48 48 ARG . . . 3.531576743 0.115180678 0.008153333 0.000769904 . . 0.365940000 0.011081166 . 1 48 ARG . 17865 1 39 . 1 1 50 50 THR . . . 3.650642640 0.118856624 0.009675343 0.000510150 . . 0.365337803 0.010994302 . 1 50 THR . 17865 1 40 . 1 1 51 51 ALA . . . 4.344746517 0.139543852 0.007123697 0.000540580 . . 0.370859623 0.011172914 . 1 51 ALA . 17865 1 41 . 1 1 52 52 CYS . . . 4.882738712 0.155378266 0.005639965 0.000550394 . . 0.364524896 0.010989070 . 1 52 CYS . 17865 1 42 . 1 1 53 53 ALA . . . 5.522920981 0.174527730 0.005642333 0.000668920 . . 0.363250027 0.010979093 . 1 53 ALA . 17865 1 43 . 1 1 54 54 LYS . . . 2.558149241 0.086300661 0.008677539 0.000527526 . . 0.372477675 0.011214405 . 1 54 LYS . 17865 1 44 . 1 1 55 55 GLY . . . 4.084880540 0.131893839 0.005961088 0.000573136 . . 0.380371702 0.011466390 . 1 55 GLY . 17865 1 45 . 1 1 56 56 ILE . . . 4.155840977 0.133752599 0.006283167 0.000998877 . . 0.368022947 0.011224878 . 1 56 ILE . 17865 1 46 . 1 1 57 57 ARG . . . 5.928703469 0.185941968 0.005519700 0.001323524 . . 0.331753665 0.010315208 . 1 57 ARG . 17865 1 47 . 1 1 58 58 GLU . . . 2.303485518 0.077196916 0.006665331 0.000458415 . . 0.318720688 0.009599470 . 1 58 GLU . 17865 1 48 . 1 1 59 59 LYS . . . 4.821161907 0.152352273 0.006393514 0.000450012 . . 0.311915957 0.009395144 . 1 59 LYS . 17865 1 49 . 1 1 60 60 TYR . . . 4.788172885 0.151632325 0.006863915 0.000461156 . . 0.321612666 0.009685913 . 1 60 TYR . 17865 1 50 . 1 1 61 61 LYS . . . 3.858916329 0.124425663 0.010266267 0.000465761 . . 0.335670269 0.010095909 . 1 61 LYS . 17865 1 51 . 1 1 63 63 ALA . . . 3.127711046 0.102172626 0.010287323 0.000869931 . . 0.319879031 0.009742168 . 1 63 ALA . 17865 1 52 . 1 1 64 64 VAL . . . 2.729001700 0.089627111 0.012219826 0.000422172 . . 0.287441832 0.008634082 . 1 64 VAL . 17865 1 53 . 1 1 65 65 VAL . . . 3.154874106 0.102705159 0.008643642 0.001358680 . . 0.313874516 0.009810543 . 1 65 VAL . 17865 1 54 . 1 1 66 66 TYR . . . 4.093624619 0.130866898 0.005808201 0.001027842 . . 0.326840123 0.010025733 . 1 66 TYR . 17865 1 55 . 1 1 67 67 GLY . . . 5.184812313 0.163886132 0.007113730 0.000735483 . . 0.336336704 0.010194191 . 1 67 GLY . 17865 1 56 . 1 1 68 68 TYR . . . 4.479008196 0.142575956 0.008074246 0.000458212 . . 0.325971861 0.009812068 . 1 68 TYR . 17865 1 57 . 1 1 69 69 ASP . . . 9.785883115 0.301737349 0.008071035 0.001320508 . . 0.329026446 0.010228130 . 1 69 ASP . 17865 1 58 . 1 1 70 70 GLY . . . 4.125842647 0.131992465 0.007720508 0.000462247 . . 0.326956143 0.009843390 . 1 70 GLY . 17865 1 59 . 1 1 71 71 LYS . . . 3.889916689 0.124567541 0.007292149 0.000443869 . . 0.313362695 0.009434633 . 1 71 LYS . 17865 1 60 . 1 1 73 73 LEU . . . 4.237826968 0.135223814 0.006999143 0.000484142 . . 0.324381446 0.009773028 . 1 73 LEU . 17865 1 61 . 1 1 74 74 ASP . . . 4.333579266 0.137474655 0.006754195 0.000425608 . . 0.299233512 0.009010199 . 1 74 ASP . 17865 1 62 . 1 1 75 75 LEU . . . 4.387540477 0.139150320 0.007048471 0.000563174 . . 0.300657956 0.009083881 . 1 75 LEU . 17865 1 63 . 1 1 76 76 GLY . . . 4.488185375 0.143086477 0.005873438 0.000510669 . . 0.343723193 0.010359065 . 1 76 GLY . 17865 1 64 . 1 1 77 77 PHE . . . 4.469479788 0.142829406 0.006415122 0.000521833 . . 0.354542723 0.010683316 . 1 77 PHE . 17865 1 65 . 1 1 78 78 CYS . . . 8.016918135 0.249042091 0.004651709 0.000700678 . . 0.356405281 0.010785718 . 1 78 CYS . 17865 1 66 . 1 1 80 80 LEU . . . 5.160104203 0.163074953 0.005943901 0.000797145 . . 0.337481814 0.010250725 . 1 80 LEU . 17865 1 67 . 1 1 81 81 ALA . . . 8.207035652 0.400514986 0.007669800 0.001698840 . . 0.305979137 0.010701127 . 1 81 ALA . 17865 1 68 . 1 1 82 82 GLY . . . 3.892716029 0.125217620 0.005986931 0.000505604 . . 0.341710914 0.010297658 . 1 82 GLY . 17865 1 69 . 1 1 85 85 GLU . . . 5.372243780 0.262248119 0.006247542 0.000565153 . . 0.335076978 0.010112394 . 1 85 GLU . 17865 1 70 . 1 1 86 86 VAL . . . 4.590248489 0.145973530 0.006861950 0.000480116 . . 0.333046555 0.010031443 . 1 86 VAL . 17865 1 71 . 1 1 88 88 CYS . . . 4.602062869 0.146270917 0.005264352 0.000506902 . . 0.336344765 0.010139224 . 1 88 CYS . 17865 1 72 . 1 1 89 89 ARG . . . 5.012394131 0.158599514 0.005501582 0.001613021 . . 0.336616998 0.010627937 . 1 89 ARG . 17865 1 73 . 1 1 90 90 LYS . . . 4.858493398 0.154104731 0.005822112 0.000506313 . . 0.340781199 0.010270405 . 1 90 LYS . 17865 1 74 . 1 1 91 91 ASP . . . 3.646418378 0.117815407 0.008042732 0.000469708 . . 0.333148818 0.010029034 . 1 91 ASP . 17865 1 75 . 1 1 93 93 GLN . . . 4.664269717 0.148085244 0.005917407 0.000489769 . . 0.331948591 0.010002946 . 1 93 GLN . 17865 1 76 . 1 1 94 94 THR . . . 4.697159714 0.149014965 0.005365558 0.000497003 . . 0.331563896 0.009994174 . 1 94 THR . 17865 1 77 . 1 1 95 95 CYS . . . 4.916345161 0.155702870 0.005569676 0.000501626 . . 0.335968426 0.010126242 . 1 95 CYS . 17865 1 78 . 1 1 98 98 LYS . . . 4.235946067 0.135755894 0.006875938 0.000507546 . . 0.349527436 0.010529438 . 1 98 LYS . 17865 1 79 . 1 1 100 100 GLU . . . 4.792209155 0.152414749 0.008290752 0.001614880 . . 0.344066619 0.010834888 . 1 100 GLU . 17865 1 80 . 1 1 101 101 SER . . . 5.580162818 0.175395381 0.006204374 0.000474644 . . 0.325260243 0.009799354 . 1 101 SER . 17865 1 81 . 1 1 102 102 ASP . . . 4.635283940 0.147836057 0.007403037 0.000507098 . . 0.352757189 0.010624483 . 1 102 ASP . 17865 1 82 . 1 1 103 103 LYS . . . 4.538023669 0.144153067 0.006005375 0.000955198 . . 0.325163081 0.009945266 . 1 103 LYS . 17865 1 83 . 1 1 104 104 CYS . . . 3.635858034 0.117362934 0.008659420 0.000454003 . . 0.325271775 0.009788382 . 1 104 CYS . 17865 1 84 . 1 1 105 105 LEU . . . 4.367055938 0.139692472 0.006324523 0.000518575 . . 0.351935803 0.010604982 . 1 105 LEU . 17865 1 85 . 1 1 106 106 ASN . . . 4.832346739 0.153067084 0.005424320 0.000495911 . . 0.331442581 0.009990198 . 1 106 ASN . 17865 1 86 . 1 1 107 107 ALA . . . 4.857402032 0.153948893 0.006047545 0.000712580 . . 0.334727879 0.010142107 . 1 107 ALA . 17865 1 87 . 1 1 108 108 ILE . . . 4.536688685 0.144284722 0.006006713 0.000489562 . . 0.332526210 0.010019950 . 1 108 ILE . 17865 1 88 . 1 1 109 109 LYS . . . 3.984499415 0.128360255 0.006494164 0.000523986 . . 0.356411512 0.010739398 . 1 109 LYS . 17865 1 89 . 1 1 110 110 GLU . . . 4.586608500 0.145465827 0.005455427 0.000477712 . . 0.321218511 0.009680996 . 1 110 GLU . 17865 1 90 . 1 1 111 111 LYS . . . 4.455539818 0.141835881 0.006479029 0.000719578 . . 0.330027144 0.010003598 . 1 111 LYS . 17865 1 91 . 1 1 112 112 TYR . . . 5.529643974 0.173634393 0.006305242 0.000455121 . . 0.314384159 0.009470163 . 1 112 TYR . 17865 1 92 . 1 1 113 113 LYS . . . 3.688845227 0.119463697 0.010261985 0.000473189 . . 0.341013031 0.010257254 . 1 113 LYS . 17865 1 93 . 1 1 115 115 VAL . . . 2.064138561 0.071486913 0.014894119 0.000511255 . . 0.346689858 0.010413336 . 1 115 VAL . 17865 1 94 . 1 1 117 117 ASP . . . 1.224726769 0.046572847 0.023237020 0.000700948 . . 0.315496308 0.009466097 . 1 117 ASP . 17865 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17865 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.17 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 21 '2D 1H-15N heteronuclear NOE' . . . 17865 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 VAL H H 1 . 1 1 3 3 VAL N N 15 -0.649453 -0.0194836 . . . 28 VAL H . 28 VAL N 17865 1 2 . 1 1 4 4 PHE H H 1 . 1 1 4 4 PHE N N 15 -0.509196 -0.0152759 . . . 29 PHE H . 29 PHE N 17865 1 3 . 1 1 5 5 ASP H H 1 . 1 1 5 5 ASP N N 15 -0.183715 0.0106842 . . . 30 ASP H . 30 ASP N 17865 1 4 . 1 1 8 8 THR H H 1 . 1 1 8 8 THR N N 15 0.156427 0.00469281 . . . 33 THR H . 33 THR N 17865 1 5 . 1 1 9 9 GLN H H 1 . 1 1 9 9 GLN N N 15 0.279443 0.00838329 . . . 34 GLN H . 34 GLN N 17865 1 6 . 1 1 10 10 TYR H H 1 . 1 1 10 10 TYR N N 15 0.297596 0.0124623 . . . 35 TYR H . 35 TYR N 17865 1 7 . 1 1 11 11 GLY H H 1 . 1 1 11 11 GLY N N 15 0.330221 0.0149504 . . . 36 GLY H . 36 GLY N 17865 1 8 . 1 1 12 12 TYR H H 1 . 1 1 12 12 TYR N N 15 0.482042 0.0144613 . . . 37 TYR H . 37 TYR N 17865 1 9 . 1 1 13 13 ASP H H 1 . 1 1 13 13 ASP N N 15 0.399873 0.0119962 . . . 38 ASP H . 38 ASP N 17865 1 10 . 1 1 14 14 GLY H H 1 . 1 1 14 14 GLY N N 15 0.444369 0.0173471 . . . 39 GLY H . 39 GLY N 17865 1 11 . 1 1 15 15 LYS H H 1 . 1 1 15 15 LYS N N 15 0.480978 0.0144293 . . . 40 LYS H . 40 LYS N 17865 1 12 . 1 1 17 17 LEU H H 1 . 1 1 17 17 LEU N N 15 0.588721 0.0176616 . . . 42 LEU H . 42 LEU N 17865 1 13 . 1 1 18 18 ASP H H 1 . 1 1 18 18 ASP N N 15 0.660862 0.0209037 . . . 43 ASP H . 43 ASP N 17865 1 14 . 1 1 20 20 SER H H 1 . 1 1 20 20 SER N N 15 0.672892 0.028224 . . . 45 SER H . 45 SER N 17865 1 15 . 1 1 21 21 PHE H H 1 . 1 1 21 21 PHE N N 15 0.680388 0.0263743 . . . 46 PHE H . 46 PHE N 17865 1 16 . 1 1 22 22 CYS H H 1 . 1 1 22 22 CYS N N 15 0.807727 0.0242318 . . . 47 CYS H . 47 CYS N 17865 1 17 . 1 1 23 23 ARG H H 1 . 1 1 23 23 ARG N N 15 0.718638 0.0215591 . . . 48 ARG H . 48 ARG N 17865 1 18 . 1 1 24 24 THR H H 1 . 1 1 24 24 THR N N 15 0.650616 0.0207742 . . . 49 THR H . 49 THR N 17865 1 19 . 1 1 26 26 GLY H H 1 . 1 1 26 26 GLY N N 15 0.647109 0.0216092 . . . 51 GLY H . 51 GLY N 17865 1 20 . 1 1 28 28 ARG H H 1 . 1 1 28 28 ARG N N 15 0.708809 0.0212643 . . . 53 ARG H . 53 ARG N 17865 1 21 . 1 1 29 29 GLU H H 1 . 1 1 29 29 GLU N N 15 0.717351 0.0215205 . . . 54 GLU H . 54 GLU N 17865 1 22 . 1 1 30 30 LYS H H 1 . 1 1 30 30 LYS N N 15 0.725931 0.0217779 . . . 55 LYS H . 55 LYS N 17865 1 23 . 1 1 31 31 ASP H H 1 . 1 1 31 31 ASP N N 15 0.684513 0.0205354 . . . 56 ASP H . 56 ASP N 17865 1 24 . 1 1 32 32 CYS H H 1 . 1 1 32 32 CYS N N 15 0.46353 0.0139059 . . . 57 CYS H . 57 CYS N 17865 1 25 . 1 1 33 33 ARG H H 1 . 1 1 33 33 ARG N N 15 0.661794 0.0198538 . . . 58 ARG H . 58 ARG N 17865 1 26 . 1 1 34 34 LYS H H 1 . 1 1 34 34 LYS N N 15 0.72345 0.0217035 . . . 59 LYS H . 59 LYS N 17865 1 27 . 1 1 35 35 ASP H H 1 . 1 1 35 35 ASP N N 15 0.682913 0.0204874 . . . 60 ASP H . 60 ASP N 17865 1 28 . 1 1 36 36 VAL H H 1 . 1 1 36 36 VAL N N 15 0.744485 0.0223345 . . . 61 VAL H . 61 VAL N 17865 1 29 . 1 1 37 37 GLN H H 1 . 1 1 37 37 GLN N N 15 0.726884 0.0218065 . . . 62 GLN H . 62 GLN N 17865 1 30 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.705585 0.0211676 . . . 63 ALA H . 63 ALA N 17865 1 31 . 1 1 41 41 LYS H H 1 . 1 1 41 41 LYS N N 15 0.582948 0.0174884 . . . 66 LYS H . 66 LYS N 17865 1 32 . 1 1 42 42 LYS H H 1 . 1 1 42 42 LYS N N 15 0.650772 0.0195232 . . . 67 LYS H . 67 LYS N 17865 1 33 . 1 1 43 43 TYR H H 1 . 1 1 43 43 TYR N N 15 0.658485 0.0197545 . . . 68 TYR H . 68 TYR N 17865 1 34 . 1 1 44 44 ASP H H 1 . 1 1 44 44 ASP N N 15 0.688003 0.0206401 . . . 69 ASP H . 69 ASP N 17865 1 35 . 1 1 45 45 ASP H H 1 . 1 1 45 45 ASP N N 15 0.617472 0.0334973 . . . 70 ASP H . 70 ASP N 17865 1 36 . 1 1 46 46 GLN H H 1 . 1 1 46 46 GLN N N 15 0.610136 0.0183041 . . . 71 GLN H . 71 GLN N 17865 1 37 . 1 1 47 47 GLY H H 1 . 1 1 47 47 GLY N N 15 0.635172 0.0190552 . . . 72 GLY H . 72 GLY N 17865 1 38 . 1 1 48 48 ARG H H 1 . 1 1 48 48 ARG N N 15 0.653102 0.0310598 . . . 73 ARG H . 73 ARG N 17865 1 39 . 1 1 50 50 THR H H 1 . 1 1 50 50 THR N N 15 0.591059 0.0177318 . . . 75 THR H . 75 THR N 17865 1 40 . 1 1 51 51 ALA H H 1 . 1 1 51 51 ALA N N 15 0.699106 0.0209732 . . . 76 ALA H . 76 ALA N 17865 1 41 . 1 1 52 52 CYS H H 1 . 1 1 52 52 CYS N N 15 0.755825 0.0226747 . . . 77 CYS H . 77 CYS N 17865 1 42 . 1 1 53 53 ALA H H 1 . 1 1 53 53 ALA N N 15 0.754895 0.0281124 . . . 78 ALA H . 78 ALA N 17865 1 43 . 1 1 54 54 LYS H H 1 . 1 1 54 54 LYS N N 15 0.638005 0.0191402 . . . 79 LYS H . 79 LYS N 17865 1 44 . 1 1 55 55 GLY H H 1 . 1 1 55 55 GLY N N 15 0.752773 0.0225832 . . . 80 GLY H . 80 GLY N 17865 1 45 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.731424 0.0419302 . . . 81 ILE H . 81 ILE N 17865 1 46 . 1 1 57 57 ARG H H 1 . 1 1 57 57 ARG N N 15 0.738037 0.0623204 . . . 82 ARG H . 82 ARG N 17865 1 47 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.673516 0.0202055 . . . 83 GLU H . 83 GLU N 17865 1 48 . 1 1 59 59 LYS H H 1 . 1 1 59 59 LYS N N 15 0.679735 0.020392 . . . 84 LYS H . 84 LYS N 17865 1 49 . 1 1 60 60 TYR H H 1 . 1 1 60 60 TYR N N 15 0.667095 0.0200128 . . . 85 TYR H . 85 TYR N 17865 1 50 . 1 1 61 61 LYS H H 1 . 1 1 61 61 LYS N N 15 0.531493 0.0159448 . . . 86 LYS H . 86 LYS N 17865 1 51 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.508859 0.0388311 . . . 88 ALA H . 88 ALA N 17865 1 52 . 1 1 64 64 VAL H H 1 . 1 1 64 64 VAL N N 15 0.363517 0.0109055 . . . 89 VAL H . 89 VAL N 17865 1 53 . 1 1 65 65 VAL H H 1 . 1 1 65 65 VAL N N 15 0.575641 0.0654782 . . . 90 VAL H . 90 VAL N 17865 1 54 . 1 1 66 66 TYR H H 1 . 1 1 66 66 TYR N N 15 0.720832 0.0486876 . . . 91 TYR H . 91 TYR N 17865 1 55 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.669958 0.0326547 . . . 92 GLY H . 92 GLY N 17865 1 56 . 1 1 68 68 TYR H H 1 . 1 1 68 68 TYR N N 15 0.616231 0.0184869 . . . 93 TYR H . 93 TYR N 17865 1 57 . 1 1 69 69 ASP H H 1 . 1 1 69 69 ASP N N 15 0.619766 0.0611556 . . . 94 ASP H . 94 ASP N 17865 1 58 . 1 1 70 70 GLY H H 1 . 1 1 70 70 GLY N N 15 0.633316 0.0189995 . . . 95 GLY H . 95 GLY N 17865 1 59 . 1 1 71 71 LYS H H 1 . 1 1 71 71 LYS N N 15 0.638393 0.0191518 . . . 96 LYS H . 96 LYS N 17865 1 60 . 1 1 73 73 LEU H H 1 . 1 1 73 73 LEU N N 15 0.66359 0.0209676 . . . 98 LEU H . 98 LEU N 17865 1 61 . 1 1 74 74 ASP H H 1 . 1 1 74 74 ASP N N 15 0.648771 0.0194631 . . . 99 ASP H . 99 ASP N 17865 1 62 . 1 1 75 75 LEU H H 1 . 1 1 75 75 LEU N N 15 0.635831 0.0269683 . . . 100 LEU H . 100 LEU N 17865 1 63 . 1 1 76 76 GLY H H 1 . 1 1 76 76 GLY N N 15 0.731197 0.0219359 . . . 101 GLY H . 101 GLY N 17865 1 64 . 1 1 77 77 PHE H H 1 . 1 1 77 77 PHE N N 15 0.715936 0.0214781 . . . 102 PHE H . 102 PHE N 17865 1 65 . 1 1 78 78 CYS H H 1 . 1 1 78 78 CYS N N 15 0.79302 0.0305524 . . . 103 CYS H . 103 CYS N 17865 1 66 . 1 1 80 80 LEU H H 1 . 1 1 80 80 LEU N N 15 0.723231 0.0361773 . . . 105 LEU H . 105 LEU N 17865 1 67 . 1 1 81 81 ALA H H 1 . 1 1 81 81 ALA N N 15 0.611861 0.0850072 . . . 106 ALA H . 106 ALA N 17865 1 68 . 1 1 82 82 GLY H H 1 . 1 1 82 82 GLY N N 15 0.724627 0.0217388 . . . 107 GLY H . 107 GLY N 17865 1 69 . 1 1 85 85 GLU H H 1 . 1 1 85 85 GLU N N 15 0.707606 0.0249531 . . . 110 GLU H . 110 GLU N 17865 1 70 . 1 1 86 86 VAL H H 1 . 1 1 86 86 VAL N N 15 0.678146 0.0203444 . . . 111 VAL H . 111 VAL N 17865 1 71 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.75308 0.0225924 . . . 113 CYS H . 113 CYS N 17865 1 72 . 1 1 89 89 ARG H H 1 . 1 1 89 89 ARG N N 15 0.742518 0.0750955 . . . 114 ARG H . 114 ARG N 17865 1 73 . 1 1 90 90 LYS H H 1 . 1 1 90 90 LYS N N 15 0.731244 0.0219373 . . . 115 LYS H . 115 LYS N 17865 1 74 . 1 1 91 91 ASP H H 1 . 1 1 91 91 ASP N N 15 0.625502 0.0187651 . . . 116 ASP H . 116 ASP N 17865 1 75 . 1 1 93 93 GLN H H 1 . 1 1 93 93 GLN N N 15 0.719991 0.0215997 . . . 118 GLN H . 118 GLN N 17865 1 76 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.744975 0.0223493 . . . 119 THR H . 119 THR N 17865 1 77 . 1 1 95 95 CYS H H 1 . 1 1 95 95 CYS N N 15 0.73895 0.0221685 . . . 120 CYS H . 120 CYS N 17865 1 78 . 1 1 98 98 LYS H H 1 . 1 1 98 98 LYS N N 15 0.692129 0.0207639 . . . 123 LYS H . 123 LYS N 17865 1 79 . 1 1 100 100 GLU H H 1 . 1 1 100 100 GLU N N 15 0.62617 0.0719461 . . . 125 GLU H . 125 GLU N 17865 1 80 . 1 1 101 101 SER H H 1 . 1 1 101 101 SER N N 15 0.701118 0.0210335 . . . 126 SER H . 126 SER N 17865 1 81 . 1 1 102 102 ASP H H 1 . 1 1 102 102 ASP N N 15 0.672417 0.0201725 . . . 127 ASP H . 127 ASP N 17865 1 82 . 1 1 103 103 LYS H H 1 . 1 1 103 103 LYS N N 15 0.710269 0.0452567 . . . 128 LYS H . 128 LYS N 17865 1 83 . 1 1 104 104 CYS H H 1 . 1 1 104 104 CYS N N 15 0.589027 0.0176708 . . . 129 CYS H . 129 CYS N 17865 1 84 . 1 1 105 105 LEU H H 1 . 1 1 105 105 LEU N N 15 0.717804 0.0215341 . . . 130 LEU H . 130 LEU N 17865 1 85 . 1 1 106 106 ASN H H 1 . 1 1 106 106 ASN N N 15 0.742182 0.0222655 . . . 131 ASN H . 131 ASN N 17865 1 86 . 1 1 107 107 ALA H H 1 . 1 1 107 107 ALA N N 15 0.716345 0.0323215 . . . 132 ALA H . 132 ALA N 17865 1 87 . 1 1 108 108 ILE H H 1 . 1 1 108 108 ILE N N 15 0.716393 0.0214918 . . . 133 ILE H . 133 ILE N 17865 1 88 . 1 1 109 109 LYS H H 1 . 1 1 109 109 LYS N N 15 0.714016 0.0214205 . . . 134 LYS H . 134 LYS N 17865 1 89 . 1 1 110 110 GLU H H 1 . 1 1 110 110 GLU N N 15 0.73278 0.0219834 . . . 135 GLU H . 135 GLU N 17865 1 90 . 1 1 111 111 LYS H H 1 . 1 1 111 111 LYS N N 15 0.692735 0.0328571 . . . 136 LYS H . 136 LYS N 17865 1 91 . 1 1 112 112 TYR H H 1 . 1 1 112 112 TYR N N 15 0.686362 0.0205909 . . . 137 TYR H . 137 TYR N 17865 1 92 . 1 1 113 113 LYS H H 1 . 1 1 113 113 LYS N N 15 0.538585 0.0161575 . . . 138 LYS H . 138 LYS N 17865 1 93 . 1 1 115 115 VAL H H 1 . 1 1 115 115 VAL N N 15 0.357348 0.0107204 . . . 140 VAL H . 140 VAL N 17865 1 94 . 1 1 117 117 ASP H H 1 . 1 1 117 117 ASP N N 15 -0.0411676 0.00328195 . . . 142 ASP H . 142 ASP N 17865 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 17865 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600.17 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 20 '2D 1H-15N R1 relaxation' . . . 17865 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 VAL N N 15 1.109 0.03327 . . 28 VAL N 17865 1 2 . 1 1 4 4 PHE N N 15 1.292 0.03876 . . 29 PHE N 17865 1 3 . 1 1 5 5 ASP N N 15 1.421 0.04263 . . 30 ASP N 17865 1 4 . 1 1 8 8 THR N N 15 1.579 0.04737 . . 33 THR N 17865 1 5 . 1 1 9 9 GLN N N 15 1.663 0.04989 . . 34 GLN N 17865 1 6 . 1 1 10 10 TYR N N 15 1.652 0.04956 . . 35 TYR N 17865 1 7 . 1 1 11 11 GLY N N 15 1.634 0.04902 . . 36 GLY N 17865 1 8 . 1 1 12 12 TYR N N 15 1.699 0.05097 . . 37 TYR N 17865 1 9 . 1 1 13 13 ASP N N 15 1.735 0.05205 . . 38 ASP N 17865 1 10 . 1 1 14 14 GLY N N 15 1.602 0.04806 . . 39 GLY N 17865 1 11 . 1 1 15 15 LYS N N 15 1.579 0.04737 . . 40 LYS N 17865 1 12 . 1 1 17 17 LEU N N 15 1.584 0.04752 . . 42 LEU N 17865 1 13 . 1 1 18 18 ASP N N 15 1.387 0.04161 . . 43 ASP N 17865 1 14 . 1 1 20 20 SER N N 15 1.52 0.0456 . . 45 SER N 17865 1 15 . 1 1 21 21 PHE N N 15 1.454 0.04362 . . 46 PHE N 17865 1 16 . 1 1 22 22 CYS N N 15 1.378 0.04134 . . 47 CYS N 17865 1 17 . 1 1 23 23 ARG N N 15 1.613 0.04839 . . 48 ARG N 17865 1 18 . 1 1 24 24 THR N N 15 1.313 0.0439 . . 49 THR N 17865 1 19 . 1 1 26 26 GLY N N 15 1.591 0.04773 . . 51 GLY N 17865 1 20 . 1 1 28 28 ARG N N 15 1.404 0.04212 . . 53 ARG N 17865 1 21 . 1 1 29 29 GLU N N 15 1.501 0.04503 . . 54 GLU N 17865 1 22 . 1 1 30 30 LYS N N 15 1.505 0.04515 . . 55 LYS N 17865 1 23 . 1 1 31 31 ASP N N 15 1.418 0.04254 . . 56 ASP N 17865 1 24 . 1 1 32 32 CYS N N 15 1.452 0.04356 . . 57 CYS N 17865 1 25 . 1 1 33 33 ARG N N 15 1.51 0.0453 . . 58 ARG N 17865 1 26 . 1 1 34 34 LYS N N 15 1.517 0.04551 . . 59 LYS N 17865 1 27 . 1 1 35 35 ASP N N 15 1.434 0.04302 . . 60 ASP N 17865 1 28 . 1 1 36 36 VAL N N 15 1.562 0.04686 . . 61 VAL N 17865 1 29 . 1 1 37 37 GLN N N 15 1.527 0.04581 . . 62 GLN N 17865 1 30 . 1 1 38 38 ALA N N 15 1.423 0.04269 . . 63 ALA N 17865 1 31 . 1 1 41 41 LYS N N 15 1.384 0.04152 . . 66 LYS N 17865 1 32 . 1 1 42 42 LYS N N 15 1.181 0.08588 . . 67 LYS N 17865 1 33 . 1 1 43 43 TYR N N 15 1.508 0.04524 . . 68 TYR N 17865 1 34 . 1 1 44 44 ASP N N 15 1.477 0.04431 . . 69 ASP N 17865 1 35 . 1 1 45 45 ASP N N 15 1.476 0.04428 . . 70 ASP N 17865 1 36 . 1 1 46 46 GLN N N 15 1.493 0.04479 . . 71 GLN N 17865 1 37 . 1 1 47 47 GLY N N 15 1.523 0.04569 . . 72 GLY N 17865 1 38 . 1 1 48 48 ARG N N 15 1.507 0.04521 . . 73 ARG N 17865 1 39 . 1 1 50 50 THR N N 15 1.517 0.04551 . . 75 THR N 17865 1 40 . 1 1 51 51 ALA N N 15 1.518 0.04554 . . 76 ALA N 17865 1 41 . 1 1 52 52 CYS N N 15 1.481 0.04443 . . 77 CYS N 17865 1 42 . 1 1 53 53 ALA N N 15 1.476 0.04428 . . 78 ALA N 17865 1 43 . 1 1 54 54 LYS N N 15 1.537 0.04611 . . 79 LYS N 17865 1 44 . 1 1 55 55 GLY N N 15 1.546 0.04638 . . 80 GLY N 17865 1 45 . 1 1 56 56 ILE N N 15 1.5 0.045 . . 81 ILE N 17865 1 46 . 1 1 57 57 ARG N N 15 1.351 0.04053 . . 82 ARG N 17865 1 47 . 1 1 58 58 GLU N N 15 1.309 0.03927 . . 83 GLU N 17865 1 48 . 1 1 59 59 LYS N N 15 1.28 0.0384 . . 84 LYS N 17865 1 49 . 1 1 60 60 TYR N N 15 1.322 0.03966 . . 85 TYR N 17865 1 50 . 1 1 61 61 LYS N N 15 1.405 0.04215 . . 86 LYS N 17865 1 51 . 1 1 63 63 ALA N N 15 1.343 0.04029 . . 88 ALA N 17865 1 52 . 1 1 64 64 VAL N N 15 1.231 0.03693 . . 89 VAL N 17865 1 53 . 1 1 65 65 VAL N N 15 1.306 0.03918 . . 90 VAL N 17865 1 54 . 1 1 66 66 TYR N N 15 1.334 0.04002 . . 91 TYR N 17865 1 55 . 1 1 67 67 GLY N N 15 1.382 0.04146 . . 92 GLY N 17865 1 56 . 1 1 68 68 TYR N N 15 1.349 0.04047 . . 93 TYR N 17865 1 57 . 1 1 69 69 ASP N N 15 1.361 0.04083 . . 94 ASP N 17865 1 58 . 1 1 70 70 GLY N N 15 1.35 0.0405 . . 95 GLY N 17865 1 59 . 1 1 71 71 LYS N N 15 1.293 0.03879 . . 96 LYS N 17865 1 60 . 1 1 73 73 LEU N N 15 1.334 0.04002 . . 98 LEU N 17865 1 61 . 1 1 74 74 ASP N N 15 1.233 0.03699 . . 99 ASP N 17865 1 62 . 1 1 75 75 LEU N N 15 1.241 0.03723 . . 100 LEU N 17865 1 63 . 1 1 76 76 GLY N N 15 1.401 0.04203 . . 101 GLY N 17865 1 64 . 1 1 77 77 PHE N N 15 1.448 0.04344 . . 102 PHE N 17865 1 65 . 1 1 78 78 CYS N N 15 1.441 0.04323 . . 103 CYS N 17865 1 66 . 1 1 80 80 LEU N N 15 1.377 0.04131 . . 105 LEU N 17865 1 67 . 1 1 81 81 ALA N N 15 1.267 0.04192 . . 106 ALA N 17865 1 68 . 1 1 82 82 GLY N N 15 1.394 0.04182 . . 107 GLY N 17865 1 69 . 1 1 85 85 GLU N N 15 1.37 0.0411 . . 110 GLU N 17865 1 70 . 1 1 86 86 VAL N N 15 1.367 0.04101 . . 111 VAL N 17865 1 71 . 1 1 88 88 CYS N N 15 1.367 0.04101 . . 113 CYS N 17865 1 72 . 1 1 89 89 ARG N N 15 1.37 0.0411 . . 114 ARG N 17865 1 73 . 1 1 90 90 LYS N N 15 1.389 0.04167 . . 115 LYS N 17865 1 74 . 1 1 91 91 ASP N N 15 1.377 0.04131 . . 116 ASP N 17865 1 75 . 1 1 93 93 GLN N N 15 1.355 0.04065 . . 118 GLN N 17865 1 76 . 1 1 94 94 THR N N 15 1.349 0.04047 . . 119 THR N 17865 1 77 . 1 1 95 95 CYS N N 15 1.368 0.04104 . . 120 CYS N 17865 1 78 . 1 1 98 98 LYS N N 15 1.432 0.04296 . . 123 LYS N 17865 1 79 . 1 1 100 100 GLU N N 15 1.422 0.04266 . . 125 GLU N 17865 1 80 . 1 1 101 101 SER N N 15 1.331 0.03993 . . 126 SER N 17865 1 81 . 1 1 102 102 ASP N N 15 1.449 0.04347 . . 127 ASP N 17865 1 82 . 1 1 103 103 LYS N N 15 1.329 0.03987 . . 128 LYS N 17865 1 83 . 1 1 104 104 CYS N N 15 1.351 0.04053 . . 129 CYS N 17865 1 84 . 1 1 105 105 LEU N N 15 1.437 0.04311 . . 130 LEU N 17865 1 85 . 1 1 106 106 ASN N N 15 1.349 0.04047 . . 131 ASN N 17865 1 86 . 1 1 107 107 ALA N N 15 1.367 0.04101 . . 132 ALA N 17865 1 87 . 1 1 108 108 ILE N N 15 1.358 0.04074 . . 133 ILE N 17865 1 88 . 1 1 109 109 LYS N N 15 1.456 0.04368 . . 134 LYS N 17865 1 89 . 1 1 110 110 GLU N N 15 1.309 0.03927 . . 135 GLU N 17865 1 90 . 1 1 111 111 LYS N N 15 1.352 0.04056 . . 136 LYS N 17865 1 91 . 1 1 112 112 TYR N N 15 1.289 0.03867 . . 137 TYR N 17865 1 92 . 1 1 113 113 LYS N N 15 1.426 0.04278 . . 138 LYS N 17865 1 93 . 1 1 115 115 VAL N N 15 1.486 0.04458 . . 140 VAL N 17865 1 94 . 1 1 117 117 ASP N N 15 1.431 0.04293 . . 142 ASP N 17865 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 17865 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600.17 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 19 '2D 1H-15N R2 relaxation' . . . 17865 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 VAL N N 15 1.87108 0.0561324 . . . . 28 VAL N 17865 1 2 . 1 1 4 4 PHE N N 15 2.23175 0.0669525 . . . . 29 PHE N 17865 1 3 . 1 1 5 5 ASP N N 15 2.76832 0.0830496 . . . . 30 ASP N 17865 1 4 . 1 1 8 8 THR N N 15 4.70226 0.141068 . . . . 33 THR N 17865 1 5 . 1 1 9 9 GLN N N 15 4.46902 0.134071 . . . . 34 GLN N 17865 1 6 . 1 1 10 10 TYR N N 15 5.1228 0.153684 . . . . 35 TYR N 17865 1 7 . 1 1 11 11 GLY N N 15 5.4738 0.164214 . . . . 36 GLY N 17865 1 8 . 1 1 12 12 TYR N N 15 6.38085 0.191425 . . . . 37 TYR N 17865 1 9 . 1 1 13 13 ASP N N 15 6.1392 0.184176 . . . . 38 ASP N 17865 1 10 . 1 1 14 14 GLY N N 15 6.58875 0.197662 . . . . 39 GLY N 17865 1 11 . 1 1 15 15 LYS N N 15 7.07616 0.212285 . . . . 40 LYS N 17865 1 12 . 1 1 17 17 LEU N N 15 8.20191 0.246057 . . . . 42 LEU N 17865 1 13 . 1 1 18 18 ASP N N 15 10.8513 0.325539 . . . . 43 ASP N 17865 1 14 . 1 1 20 20 SER N N 15 10.3873 0.311619 . . . . 45 SER N 17865 1 15 . 1 1 21 21 PHE N N 15 16.8867 0.506601 . . . . 46 PHE N 17865 1 16 . 1 1 22 22 CYS N N 15 17.8163 0.534489 . . . . 47 CYS N 17865 1 17 . 1 1 23 23 ARG N N 15 10.8826 0.326478 . . . . 48 ARG N 17865 1 18 . 1 1 24 24 THR N N 15 15.4226 0.5223 . . . . 49 THR N 17865 1 19 . 1 1 26 26 GLY N N 15 9.40671 0.282201 . . . . 51 GLY N 17865 1 20 . 1 1 28 28 ARG N N 15 12.4148 0.372444 . . . . 53 ARG N 17865 1 21 . 1 1 29 29 GLU N N 15 10.1967 0.305901 . . . . 54 GLU N 17865 1 22 . 1 1 30 30 LYS N N 15 11.3232 0.339696 . . . . 55 LYS N 17865 1 23 . 1 1 31 31 ASP N N 15 10.6574 0.319722 . . . . 56 ASP N 17865 1 24 . 1 1 32 32 CYS N N 15 6.644 0.19932 . . . . 57 CYS N 17865 1 25 . 1 1 33 33 ARG N N 15 10.2748 0.308244 . . . . 58 ARG N 17865 1 26 . 1 1 34 34 LYS N N 15 11.0909 0.332727 . . . . 59 LYS N 17865 1 27 . 1 1 35 35 ASP N N 15 10.089 0.30267 . . . . 60 ASP N 17865 1 28 . 1 1 36 36 VAL N N 15 11.105 0.33315 . . . . 61 VAL N 17865 1 29 . 1 1 37 37 GLN N N 15 12.4893 0.374679 . . . . 62 GLN N 17865 1 30 . 1 1 38 38 ALA N N 15 14.3474 0.430422 . . . . 63 ALA N 17865 1 31 . 1 1 41 41 LYS N N 15 9.38372 0.281512 . . . . 66 LYS N 17865 1 32 . 1 1 42 42 LYS N N 15 13.4916 0.9251 . . . . 67 LYS N 17865 1 33 . 1 1 43 43 TYR N N 15 15.9034 0.477102 . . . . 68 TYR N 17865 1 34 . 1 1 44 44 ASP N N 15 10.0591 0.301773 . . . . 69 ASP N 17865 1 35 . 1 1 45 45 ASP N N 15 9.16641 0.274992 . . . . 70 ASP N 17865 1 36 . 1 1 46 46 GLN N N 15 9.74184 0.292255 . . . . 71 GLN N 17865 1 37 . 1 1 47 47 GLY N N 15 9.47389 0.284217 . . . . 72 GLY N 17865 1 38 . 1 1 48 48 ARG N N 15 10.0469 0.301407 . . . . 73 ARG N 17865 1 39 . 1 1 50 50 THR N N 15 10.3689 0.311067 . . . . 75 THR N 17865 1 40 . 1 1 51 51 ALA N N 15 12.1837 0.365511 . . . . 76 ALA N 17865 1 41 . 1 1 52 52 CYS N N 15 13.5729 0.407187 . . . . 77 CYS N 17865 1 42 . 1 1 53 53 ALA N N 15 15.2507 0.457521 . . . . 78 ALA N 17865 1 43 . 1 1 54 54 LYS N N 15 7.50848 0.225254 . . . . 79 LYS N 17865 1 44 . 1 1 55 55 GLY N N 15 11.5122 0.345366 . . . . 80 GLY N 17865 1 45 . 1 1 56 56 ILE N N 15 11.6764 0.350292 . . . . 81 ILE N 17865 1 46 . 1 1 57 57 ARG N N 15 16.2529 0.487587 . . . . 82 ARG N 17865 1 47 . 1 1 58 58 GLU N N 15 6.72013 0.201604 . . . . 83 GLU N 17865 1 48 . 1 1 59 59 LYS N N 15 13.313 0.39939 . . . . 84 LYS N 17865 1 49 . 1 1 60 60 TYR N N 15 13.2488 0.397464 . . . . 85 TYR N 17865 1 50 . 1 1 61 61 LYS N N 15 10.8613 0.325839 . . . . 86 LYS N 17865 1 51 . 1 1 63 63 ALA N N 15 8.91116 0.267335 . . . . 88 ALA N 17865 1 52 . 1 1 64 64 VAL N N 15 7.81436 0.234431 . . . . 89 VAL N 17865 1 53 . 1 1 65 65 VAL N N 15 8.95911 0.268773 . . . . 90 VAL N 17865 1 54 . 1 1 66 66 TYR N N 15 11.4287 0.342861 . . . . 91 TYR N 17865 1 55 . 1 1 67 67 GLY N N 15 14.3206 0.429618 . . . . 92 GLY N 17865 1 56 . 1 1 68 68 TYR N N 15 12.4544 0.373632 . . . . 93 TYR N 17865 1 57 . 1 1 69 69 ASP N N 15 26.3894 0.791682 . . . . 94 ASP N 17865 1 58 . 1 1 70 70 GLY N N 15 11.5269 0.345807 . . . . 95 GLY N 17865 1 59 . 1 1 71 71 LYS N N 15 10.8779 0.326337 . . . . 96 LYS N 17865 1 60 . 1 1 73 73 LEU N N 15 11.8107 0.354321 . . . . 98 LEU N 17865 1 61 . 1 1 74 74 ASP N N 15 12.0108 0.360324 . . . . 99 ASP N 17865 1 62 . 1 1 75 75 LEU N N 15 12.1573 0.364719 . . . . 100 LEU N 17865 1 63 . 1 1 76 76 GLY N N 15 12.498 0.37494 . . . . 101 GLY N 17865 1 64 . 1 1 77 77 PHE N N 15 12.474 0.37422 . . . . 102 PHE N 17865 1 65 . 1 1 78 78 CYS N N 15 21.7763 0.653289 . . . . 103 CYS N 17865 1 66 . 1 1 80 80 LEU N N 15 14.2498 0.427494 . . . . 105 LEU N 17865 1 67 . 1 1 81 81 ALA N N 15 22.1972 1.051 . . . . 106 ALA N 17865 1 68 . 1 1 82 82 GLY N N 15 10.9319 0.327957 . . . . 107 GLY N 17865 1 69 . 1 1 85 85 GLU N N 15 14.804 0.688 . . . . 110 GLU N 17865 1 70 . 1 1 86 86 VAL N N 15 12.7518 0.382554 . . . . 111 VAL N 17865 1 71 . 1 1 88 88 CYS N N 15 12.7781 0.383343 . . . . 113 CYS N 17865 1 72 . 1 1 89 89 ARG N N 15 13.8573 0.415719 . . . . 114 ARG N 17865 1 73 . 1 1 90 90 LYS N N 15 13.4638 0.403914 . . . . 115 LYS N 17865 1 74 . 1 1 91 91 ASP N N 15 10.283 0.30849 . . . . 116 ASP N 17865 1 75 . 1 1 93 93 GLN N N 15 12.9373 0.388119 . . . . 118 GLN N 17865 1 76 . 1 1 94 94 THR N N 15 13.019 0.39057 . . . . 119 THR N 17865 1 77 . 1 1 95 95 CYS N N 15 13.6044 0.408132 . . . . 120 CYS N 17865 1 78 . 1 1 98 98 LYS N N 15 11.8544 0.355632 . . . . 123 LYS N 17865 1 79 . 1 1 100 100 GLU N N 15 13.3136 0.399408 . . . . 125 GLU N 17865 1 80 . 1 1 101 101 SER N N 15 15.3301 0.459903 . . . . 126 SER N 17865 1 81 . 1 1 102 102 ASP N N 15 12.9126 0.387378 . . . . 127 ASP N 17865 1 82 . 1 1 103 103 LYS N N 15 12.5932 0.377796 . . . . 128 LYS N 17865 1 83 . 1 1 104 104 CYS N N 15 10.2441 0.307323 . . . . 129 CYS N 17865 1 84 . 1 1 105 105 LEU N N 15 12.1994 0.365982 . . . . 130 LEU N 17865 1 85 . 1 1 106 106 ASN N N 15 13.374 0.40122 . . . . 131 ASN N 17865 1 86 . 1 1 107 107 ALA N N 15 13.4506 0.403518 . . . . 132 ALA N 17865 1 87 . 1 1 108 108 ILE N N 15 12.6042 0.378126 . . . . 133 ILE N 17865 1 88 . 1 1 109 109 LYS N N 15 11.2053 0.336159 . . . . 134 LYS N 17865 1 89 . 1 1 110 110 GLU N N 15 12.7091 0.381273 . . . . 135 GLU N 17865 1 90 . 1 1 111 111 LYS N N 15 12.3896 0.371688 . . . . 136 LYS N 17865 1 91 . 1 1 112 112 TYR N N 15 15.1768 0.455304 . . . . 137 TYR N 17865 1 92 . 1 1 113 113 LYS N N 15 10.4254 0.312762 . . . . 138 LYS N 17865 1 93 . 1 1 115 115 VAL N N 15 6.20467 0.18614 . . . . 140 VAL N 17865 1 94 . 1 1 117 117 ASP N N 15 3.99855 0.119956 . . . . 142 ASP N 17865 1 stop_ save_