data_19646 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19646 _Entry.Title ; Solution structure of the major factor VIII binding region on von Willebrand factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-02 _Entry.Accession_date 2013-12-02 _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 Nuha Shiltagh . . . 19646 2 John Kirkpatrick . . . 19646 3 Lisa Cabrita . . . 19646 4 Tom McKinnon . . . 19646 5 Konstantinos Thalassinos . . . 19646 6 Edward Tuddenham . . . 19646 7 Flemming Hansen . . . 19646 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' . 19646 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'factor VIII' . 19646 'von Willebrand factor' . 19646 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19646 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 19646 '15N chemical shifts' 85 19646 '1H chemical shifts' 587 19646 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 . . 2014-04-30 2013-12-03 update BMRB 'update entry citation' 19646 1 . . 2014-04-09 2013-12-03 original author 'original release' 19646 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHP 'BMRB Entry Tracking System' 19646 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19646 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24700780 _Citation.Full_citation . _Citation.Title 'Solution structure of the major factor VIII binding region on von Willebrand factor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Blood _Citation.Journal_name_full Blood _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Nuha Shiltagh . . . 19646 1 2 John Kirkpatrick . . . 19646 1 3 Lisa Cabrita . D. . 19646 1 4 Tom McKinnon . A.J. . 19646 1 5 Konstantinos Thalassinos . . . 19646 1 6 Edward Tuddenham . G.D. . 19646 1 7 'D. Flemming' Hansen . . . 19646 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19646 _Assembly.ID 1 _Assembly.Name 'major factor VIII binding region on von Willebrand factor' _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 'major factor VIII binding region on von Willebrand factor' 1 $VWF_TIL-E A . yes native no no . . . 19646 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VWF_TIL-E _Entity.Sf_category entity _Entity.Sf_framecode VWF_TIL-E _Entity.Entry_ID 19646 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VWF_TIL-E _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 ; GAMGSCRPPMVKLVCPADNL RAEGLECTKTCQNYDLECMS MGCVSGCLCPPGMVRHENRC VALERCPCFHQGKEYAPGET VKIGCNTCVCRDRKWNCTDH VCD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 (GAMG) are cloning artefacts. The VWF sequence proper begins at residue 5, and represents residues 766-864 in full-length VWF.' _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment "The VWF fragment here comprises domains TIL' (residues 767-827) and E' (residues 829-863)." _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11351.283 _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 2MHP . "Solution Structure Of The Major Factor Viii Binding Region On Von Willebrand Factor" . . . . . 100.00 103 100.00 100.00 1.07e-67 . . . . 19646 1 2 no PDB 2MHQ . "Solution Structure Of The Major Factor Viii Binding Region On Von Willebrand Factor" . . . . . 100.00 103 100.00 100.00 1.07e-67 . . . . 19646 1 3 no GB AAB59512 . "von Willebrand factor prepropeptide, partial [Homo sapiens]" . . . . . 96.12 2074 96.97 96.97 5.55e-57 . . . . 19646 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 1 GLY . 19646 1 2 2 ALA . 19646 1 3 3 MET . 19646 1 4 4 GLY . 19646 1 5 5 SER . 19646 1 6 6 CYS . 19646 1 7 7 ARG . 19646 1 8 8 PRO . 19646 1 9 9 PRO . 19646 1 10 10 MET . 19646 1 11 11 VAL . 19646 1 12 12 LYS . 19646 1 13 13 LEU . 19646 1 14 14 VAL . 19646 1 15 15 CYS . 19646 1 16 16 PRO . 19646 1 17 17 ALA . 19646 1 18 18 ASP . 19646 1 19 19 ASN . 19646 1 20 20 LEU . 19646 1 21 21 ARG . 19646 1 22 22 ALA . 19646 1 23 23 GLU . 19646 1 24 24 GLY . 19646 1 25 25 LEU . 19646 1 26 26 GLU . 19646 1 27 27 CYS . 19646 1 28 28 THR . 19646 1 29 29 LYS . 19646 1 30 30 THR . 19646 1 31 31 CYS . 19646 1 32 32 GLN . 19646 1 33 33 ASN . 19646 1 34 34 TYR . 19646 1 35 35 ASP . 19646 1 36 36 LEU . 19646 1 37 37 GLU . 19646 1 38 38 CYS . 19646 1 39 39 MET . 19646 1 40 40 SER . 19646 1 41 41 MET . 19646 1 42 42 GLY . 19646 1 43 43 CYS . 19646 1 44 44 VAL . 19646 1 45 45 SER . 19646 1 46 46 GLY . 19646 1 47 47 CYS . 19646 1 48 48 LEU . 19646 1 49 49 CYS . 19646 1 50 50 PRO . 19646 1 51 51 PRO . 19646 1 52 52 GLY . 19646 1 53 53 MET . 19646 1 54 54 VAL . 19646 1 55 55 ARG . 19646 1 56 56 HIS . 19646 1 57 57 GLU . 19646 1 58 58 ASN . 19646 1 59 59 ARG . 19646 1 60 60 CYS . 19646 1 61 61 VAL . 19646 1 62 62 ALA . 19646 1 63 63 LEU . 19646 1 64 64 GLU . 19646 1 65 65 ARG . 19646 1 66 66 CYS . 19646 1 67 67 PRO . 19646 1 68 68 CYS . 19646 1 69 69 PHE . 19646 1 70 70 HIS . 19646 1 71 71 GLN . 19646 1 72 72 GLY . 19646 1 73 73 LYS . 19646 1 74 74 GLU . 19646 1 75 75 TYR . 19646 1 76 76 ALA . 19646 1 77 77 PRO . 19646 1 78 78 GLY . 19646 1 79 79 GLU . 19646 1 80 80 THR . 19646 1 81 81 VAL . 19646 1 82 82 LYS . 19646 1 83 83 ILE . 19646 1 84 84 GLY . 19646 1 85 85 CYS . 19646 1 86 86 ASN . 19646 1 87 87 THR . 19646 1 88 88 CYS . 19646 1 89 89 VAL . 19646 1 90 90 CYS . 19646 1 91 91 ARG . 19646 1 92 92 ASP . 19646 1 93 93 ARG . 19646 1 94 94 LYS . 19646 1 95 95 TRP . 19646 1 96 96 ASN . 19646 1 97 97 CYS . 19646 1 98 98 THR . 19646 1 99 99 ASP . 19646 1 100 100 HIS . 19646 1 101 101 VAL . 19646 1 102 102 CYS . 19646 1 103 103 ASP . 19646 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 . GLY 1 1 19646 1 . ALA 2 2 19646 1 . MET 3 3 19646 1 . GLY 4 4 19646 1 . SER 5 5 19646 1 . CYS 6 6 19646 1 . ARG 7 7 19646 1 . PRO 8 8 19646 1 . PRO 9 9 19646 1 . MET 10 10 19646 1 . VAL 11 11 19646 1 . LYS 12 12 19646 1 . LEU 13 13 19646 1 . VAL 14 14 19646 1 . CYS 15 15 19646 1 . PRO 16 16 19646 1 . ALA 17 17 19646 1 . ASP 18 18 19646 1 . ASN 19 19 19646 1 . LEU 20 20 19646 1 . ARG 21 21 19646 1 . ALA 22 22 19646 1 . GLU 23 23 19646 1 . GLY 24 24 19646 1 . LEU 25 25 19646 1 . GLU 26 26 19646 1 . CYS 27 27 19646 1 . THR 28 28 19646 1 . LYS 29 29 19646 1 . THR 30 30 19646 1 . CYS 31 31 19646 1 . GLN 32 32 19646 1 . ASN 33 33 19646 1 . TYR 34 34 19646 1 . ASP 35 35 19646 1 . LEU 36 36 19646 1 . GLU 37 37 19646 1 . CYS 38 38 19646 1 . MET 39 39 19646 1 . SER 40 40 19646 1 . MET 41 41 19646 1 . GLY 42 42 19646 1 . CYS 43 43 19646 1 . VAL 44 44 19646 1 . SER 45 45 19646 1 . GLY 46 46 19646 1 . CYS 47 47 19646 1 . LEU 48 48 19646 1 . CYS 49 49 19646 1 . PRO 50 50 19646 1 . PRO 51 51 19646 1 . GLY 52 52 19646 1 . MET 53 53 19646 1 . VAL 54 54 19646 1 . ARG 55 55 19646 1 . HIS 56 56 19646 1 . GLU 57 57 19646 1 . ASN 58 58 19646 1 . ARG 59 59 19646 1 . CYS 60 60 19646 1 . VAL 61 61 19646 1 . ALA 62 62 19646 1 . LEU 63 63 19646 1 . GLU 64 64 19646 1 . ARG 65 65 19646 1 . CYS 66 66 19646 1 . PRO 67 67 19646 1 . CYS 68 68 19646 1 . PHE 69 69 19646 1 . HIS 70 70 19646 1 . GLN 71 71 19646 1 . GLY 72 72 19646 1 . LYS 73 73 19646 1 . GLU 74 74 19646 1 . TYR 75 75 19646 1 . ALA 76 76 19646 1 . PRO 77 77 19646 1 . GLY 78 78 19646 1 . GLU 79 79 19646 1 . THR 80 80 19646 1 . VAL 81 81 19646 1 . LYS 82 82 19646 1 . ILE 83 83 19646 1 . GLY 84 84 19646 1 . CYS 85 85 19646 1 . ASN 86 86 19646 1 . THR 87 87 19646 1 . CYS 88 88 19646 1 . VAL 89 89 19646 1 . CYS 90 90 19646 1 . ARG 91 91 19646 1 . ASP 92 92 19646 1 . ARG 93 93 19646 1 . LYS 94 94 19646 1 . TRP 95 95 19646 1 . ASN 96 96 19646 1 . CYS 97 97 19646 1 . THR 98 98 19646 1 . ASP 99 99 19646 1 . HIS 100 100 19646 1 . VAL 101 101 19646 1 . CYS 102 102 19646 1 . ASP 103 103 19646 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 19646 _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 $VWF_TIL-E . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19646 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 19646 _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 $VWF_TIL-E . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 Shuffle . . . . . . . . . . . . . . pET32b+ . . . . . . 19646 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19646 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample for assignment and 15N-NOESY at 600 MHz' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VWF TIL-E' '[U-13C; U-15N]' . . 1 $VWF_TIL-E . . 300 . . mM 100 . . . 19646 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19646 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19646 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19646 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19646 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19646 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Partially 13C-labelled sample for stereospecific methyl assignment' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VWF TIL-E' '[U-10% 13C]' . . 1 $VWF_TIL-E . . 300 . . mM 100 . . . 19646 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19646 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19646 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19646 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19646 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19646 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N sample for relaxation at 600 MHz' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VWF TIL-E' [U-15N] . . 1 $VWF_TIL-E . . 300 . . mM 100 . . . 19646 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19646 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19646 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19646 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19646 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19646 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample for 13C NOESY at 700 MHz' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VWF TIL-E' '[U-13C; U-15N]' . . 1 $VWF_TIL-E . . 300 . . mM 100 . . . 19646 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19646 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19646 4 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19646 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19646 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19646 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N sample for relaxation dispersion at 500 and 700 MHz' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VWF TIL-E' [U-15N] . . 1 $VWF_TIL-E . . 300 . . mM 100 . . . 19646 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19646 5 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19646 5 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19646 5 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19646 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19646 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample for isotropic splittings at 500 MHz' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VWF TIL-E' '[U-13C; U-15N]' . . 1 $VWF_TIL-E . . 300 . . mM 100 . . . 19646 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19646 6 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19646 6 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19646 6 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19646 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19646 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample in phage for aligned splittings at 500 MHz' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VWF TIL-E' '[U-13C; U-15N]' . . 1 $VWF_TIL-E . . 300 . . mM 100 . . . 19646 7 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19646 7 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19646 7 4 'Pf1 phage' 'natural abundance' . . . . . . 5 . . mg/mL 1 . . . 19646 7 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19646 7 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19646 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 19646 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample in PEG for aligned splittings at 500 MHz' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'VWF TIL-E' '[U-13C; U-15N]' . . 1 $VWF_TIL-E . . 300 . . mM 100 . . . 19646 8 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19646 8 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19646 8 4 'pentaethylene glycol dodecyl ether' 'natural abundance' . . . . . . 2 . . '% w/v' 0.2 . . . 19646 8 5 n-hexanol 'natural abundance' . . . . . . 50 . . mM 5 . . . 19646 8 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19646 8 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19646 8 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 19646 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 19646 1 pressure 1 . atm 19646 1 temperature 298 . K 19646 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19646 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19646 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19646 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19646 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19646 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19646 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19646 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19646 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19646 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19646 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19646 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19646 4 'peak picking' 19646 4 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 19646 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19646 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19646 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 19646 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19646 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19646 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19646 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 19646 1 2 spectrometer_2 Bruker 'Avance III' . 500 . . . 19646 1 3 spectrometer_3 Bruker 'Avance III' . 700 . . . 19646 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 19646 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 5 '3D 15N HSQC-NOESY-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 6 '3D HN(CACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 7 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 8 '3D H(CCCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 9 '3D H(C)CH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 10 '2D constant-time 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19646 1 13 '{1H}15N steady-state NOE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 14 '15N R1rho relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 15 '15N R1 relaxation' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 16 '15N R2-CPMG relaxation dispersion' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 17 '15N R2-CPMG relaxation dispersion' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19646 1 18 '2D IPAP-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 19 '2D IPAP-15N HSQC' no . . . . . . . . . . 7 $sample_7 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 20 '2D IPAP-15N HSQC' no . . . . . . . . . . 8 $sample_8 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 21 '2D IPAP-E.COSY-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 22 '2D IPAP-E.COSY-15N HSQC' no . . . . . . . . . . 8 $sample_8 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 23 '3D IPAP-HNCO(J-CA)' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 24 '3D IPAP-HNCO(J-CA)' no . . . . . . . . . . 8 $sample_8 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 25 '3D HN(CO)CA(J-CB)' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 26 '3D HN(CO)CA(J-CB)' no . . . . . . . . . . 8 $sample_8 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 27 '3D IPAP-(HA)CA(CO)NH' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 28 '3D IPAP-(HA)CA(CO)NH' no . . . . . . . . . . 8 $sample_8 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19646 1 29 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 30 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 31 '2D constant-time 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19646 1 32 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19646 1 33 '2D constant-time 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19646 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 19646 _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 water protons . . . . ppm 4.773 internal indirect 0.25144953 . . . . . . . . . 19646 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 19646 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 19646 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 19646 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 19646 1 2 '3D HNCA' . . . 19646 1 3 '3D HN(CO)CA' . . . 19646 1 4 '3D HNCACB' . . . 19646 1 5 '3D 15N HSQC-NOESY-15N HSQC' . . . 19646 1 6 '3D HN(CACO)NH' . . . 19646 1 7 '3D (H)CC(CO)NH' . . . 19646 1 8 '3D H(CCCO)NH' . . . 19646 1 9 '3D H(C)CH-TOCSY' . . . 19646 1 10 '2D constant-time 1H-13C HSQC' . . . 19646 1 11 '3D 1H-15N NOESY' . . . 19646 1 12 '3D 1H-13C NOESY' . . . 19646 1 29 '2D 1H-15N HSQC' . . . 19646 1 30 '2D 1H-13C HSQC' . . . 19646 1 31 '2D constant-time 1H-13C HSQC' . . . 19646 1 32 '2D 1H-13C HSQC' . . . 19646 1 33 '2D constant-time 1H-13C HSQC' . . . 19646 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.314 0.003 . 1 . . . A 2 ALA HA . 19646 1 2 . 1 1 2 2 ALA HB1 H 1 1.369 0.003 . 1 . . . A 2 ALA HB1 . 19646 1 3 . 1 1 2 2 ALA HB2 H 1 1.369 0.003 . 1 . . . A 2 ALA HB2 . 19646 1 4 . 1 1 2 2 ALA HB3 H 1 1.369 0.003 . 1 . . . A 2 ALA HB3 . 19646 1 5 . 1 1 2 2 ALA CA C 13 52.571 0.037 . 1 . . . A 2 ALA CA . 19646 1 6 . 1 1 2 2 ALA CB C 13 19.315 0.000 . 1 . . . A 2 ALA CB . 19646 1 7 . 1 1 3 3 MET HA H 1 4.438 0.003 . 1 . . . A 3 MET HA . 19646 1 8 . 1 1 3 3 MET HB2 H 1 2.072 0.001 . 2 . . . A 3 MET HB2 . 19646 1 9 . 1 1 3 3 MET HB3 H 1 2.021 0.001 . 2 . . . A 3 MET HB3 . 19646 1 10 . 1 1 3 3 MET HG2 H 1 2.602 0.004 . 2 . . . A 3 MET HG2 . 19646 1 11 . 1 1 3 3 MET HG3 H 1 2.535 0.004 . 2 . . . A 3 MET HG3 . 19646 1 12 . 1 1 3 3 MET HE1 H 1 2.061 0.000 . 1 . . . A 3 MET HE1 . 19646 1 13 . 1 1 3 3 MET HE2 H 1 2.061 0.000 . 1 . . . A 3 MET HE2 . 19646 1 14 . 1 1 3 3 MET HE3 H 1 2.061 0.000 . 1 . . . A 3 MET HE3 . 19646 1 15 . 1 1 3 3 MET CA C 13 55.752 0.019 . 1 . . . A 3 MET CA . 19646 1 16 . 1 1 3 3 MET CB C 13 32.785 0.045 . 1 . . . A 3 MET CB . 19646 1 17 . 1 1 3 3 MET CG C 13 32.024 0.032 . 1 . . . A 3 MET CG . 19646 1 18 . 1 1 3 3 MET CE C 13 16.977 0.000 . 1 . . . A 3 MET CE . 19646 1 19 . 1 1 6 6 CYS H H 1 8.184 0.000 . 1 . . . A 6 CYS H . 19646 1 20 . 1 1 6 6 CYS N N 15 123.547 0.000 . 1 . . . A 6 CYS N . 19646 1 21 . 1 1 8 8 PRO HA H 1 4.565 0.000 . 1 . . . A 8 PRO HA . 19646 1 22 . 1 1 8 8 PRO HB2 H 1 2.323 0.000 . 2 . . . A 8 PRO HB2 . 19646 1 23 . 1 1 8 8 PRO HB3 H 1 1.922 0.000 . 2 . . . A 8 PRO HB3 . 19646 1 24 . 1 1 8 8 PRO HD2 H 1 3.791 0.003 . 2 . . . A 8 PRO HD2 . 19646 1 25 . 1 1 8 8 PRO HD3 H 1 3.555 0.008 . 2 . . . A 8 PRO HD3 . 19646 1 26 . 1 1 8 8 PRO CA C 13 62.078 0.000 . 1 . . . A 8 PRO CA . 19646 1 27 . 1 1 8 8 PRO CB C 13 30.636 0.004 . 1 . . . A 8 PRO CB . 19646 1 28 . 1 1 8 8 PRO CD C 13 50.454 0.002 . 1 . . . A 8 PRO CD . 19646 1 29 . 1 1 9 9 PRO HA H 1 4.564 0.005 . 1 . . . A 9 PRO HA . 19646 1 30 . 1 1 9 9 PRO HB2 H 1 2.305 0.007 . 2 . . . A 9 PRO HB2 . 19646 1 31 . 1 1 9 9 PRO HB3 H 1 2.152 0.005 . 2 . . . A 9 PRO HB3 . 19646 1 32 . 1 1 9 9 PRO HG2 H 1 2.008 0.002 . 2 . . . A 9 PRO HG2 . 19646 1 33 . 1 1 9 9 PRO HG3 H 1 1.437 0.009 . 2 . . . A 9 PRO HG3 . 19646 1 34 . 1 1 9 9 PRO HD2 H 1 3.524 0.004 . 2 . . . A 9 PRO HD2 . 19646 1 35 . 1 1 9 9 PRO HD3 H 1 3.480 0.003 . 2 . . . A 9 PRO HD3 . 19646 1 36 . 1 1 9 9 PRO CA C 13 64.007 0.019 . 1 . . . A 9 PRO CA . 19646 1 37 . 1 1 9 9 PRO CB C 13 33.632 0.063 . 1 . . . A 9 PRO CB . 19646 1 38 . 1 1 9 9 PRO CG C 13 24.545 0.037 . 1 . . . A 9 PRO CG . 19646 1 39 . 1 1 9 9 PRO CD C 13 49.539 0.037 . 1 . . . A 9 PRO CD . 19646 1 40 . 1 1 10 10 MET H H 1 8.759 0.003 . 1 . . . A 10 MET H . 19646 1 41 . 1 1 10 10 MET HA H 1 4.346 0.005 . 1 . . . A 10 MET HA . 19646 1 42 . 1 1 10 10 MET HB2 H 1 2.056 0.004 . 2 . . . A 10 MET HB2 . 19646 1 43 . 1 1 10 10 MET HB3 H 1 1.782 0.004 . 2 . . . A 10 MET HB3 . 19646 1 44 . 1 1 10 10 MET HG2 H 1 2.725 0.005 . 2 . . . A 10 MET HG2 . 19646 1 45 . 1 1 10 10 MET HG3 H 1 2.271 0.004 . 2 . . . A 10 MET HG3 . 19646 1 46 . 1 1 10 10 MET HE1 H 1 1.928 0.001 . 1 . . . A 10 MET HE1 . 19646 1 47 . 1 1 10 10 MET HE2 H 1 1.928 0.001 . 1 . . . A 10 MET HE2 . 19646 1 48 . 1 1 10 10 MET HE3 H 1 1.928 0.001 . 1 . . . A 10 MET HE3 . 19646 1 49 . 1 1 10 10 MET CA C 13 57.932 0.046 . 1 . . . A 10 MET CA . 19646 1 50 . 1 1 10 10 MET CB C 13 33.859 0.055 . 1 . . . A 10 MET CB . 19646 1 51 . 1 1 10 10 MET CG C 13 34.256 0.059 . 1 . . . A 10 MET CG . 19646 1 52 . 1 1 10 10 MET CE C 13 18.044 0.031 . 1 . . . A 10 MET CE . 19646 1 53 . 1 1 10 10 MET N N 15 123.176 0.055 . 1 . . . A 10 MET N . 19646 1 54 . 1 1 11 11 VAL H H 1 8.855 0.008 . 1 . . . A 11 VAL H . 19646 1 55 . 1 1 11 11 VAL HA H 1 4.301 0.003 . 1 . . . A 11 VAL HA . 19646 1 56 . 1 1 11 11 VAL HB H 1 1.974 0.004 . 1 . . . A 11 VAL HB . 19646 1 57 . 1 1 11 11 VAL HG11 H 1 0.887 0.003 . 2 . . . A 11 VAL HG11 . 19646 1 58 . 1 1 11 11 VAL HG12 H 1 0.887 0.003 . 2 . . . A 11 VAL HG12 . 19646 1 59 . 1 1 11 11 VAL HG13 H 1 0.887 0.003 . 2 . . . A 11 VAL HG13 . 19646 1 60 . 1 1 11 11 VAL HG21 H 1 0.825 0.007 . 2 . . . A 11 VAL HG21 . 19646 1 61 . 1 1 11 11 VAL HG22 H 1 0.825 0.007 . 2 . . . A 11 VAL HG22 . 19646 1 62 . 1 1 11 11 VAL HG23 H 1 0.825 0.007 . 2 . . . A 11 VAL HG23 . 19646 1 63 . 1 1 11 11 VAL CA C 13 59.732 0.009 . 1 . . . A 11 VAL CA . 19646 1 64 . 1 1 11 11 VAL CB C 13 35.145 0.041 . 1 . . . A 11 VAL CB . 19646 1 65 . 1 1 11 11 VAL CG1 C 13 21.357 0.035 . 2 . . . A 11 VAL CG1 . 19646 1 66 . 1 1 11 11 VAL CG2 C 13 19.573 0.105 . 2 . . . A 11 VAL CG2 . 19646 1 67 . 1 1 11 11 VAL N N 15 116.266 0.041 . 1 . . . A 11 VAL N . 19646 1 68 . 1 1 12 12 LYS H H 1 8.448 0.004 . 1 . . . A 12 LYS H . 19646 1 69 . 1 1 12 12 LYS HA H 1 4.371 0.007 . 1 . . . A 12 LYS HA . 19646 1 70 . 1 1 12 12 LYS HB2 H 1 1.770 0.006 . 2 . . . A 12 LYS HB2 . 19646 1 71 . 1 1 12 12 LYS HB3 H 1 1.605 0.005 . 2 . . . A 12 LYS HB3 . 19646 1 72 . 1 1 12 12 LYS HG2 H 1 1.242 0.006 . 2 . . . A 12 LYS HG2 . 19646 1 73 . 1 1 12 12 LYS HG3 H 1 1.210 0.003 . 2 . . . A 12 LYS HG3 . 19646 1 74 . 1 1 12 12 LYS CA C 13 56.715 0.031 . 1 . . . A 12 LYS CA . 19646 1 75 . 1 1 12 12 LYS CB C 13 33.170 0.042 . 1 . . . A 12 LYS CB . 19646 1 76 . 1 1 12 12 LYS CG C 13 25.207 0.045 . 1 . . . A 12 LYS CG . 19646 1 77 . 1 1 12 12 LYS N N 15 125.383 0.034 . 1 . . . A 12 LYS N . 19646 1 78 . 1 1 13 13 LEU H H 1 9.145 0.006 . 1 . . . A 13 LEU H . 19646 1 79 . 1 1 13 13 LEU HA H 1 4.549 0.005 . 1 . . . A 13 LEU HA . 19646 1 80 . 1 1 13 13 LEU HB2 H 1 1.919 0.007 . 2 . . . A 13 LEU HB2 . 19646 1 81 . 1 1 13 13 LEU HB3 H 1 1.498 0.006 . 2 . . . A 13 LEU HB3 . 19646 1 82 . 1 1 13 13 LEU HG H 1 1.592 0.004 . 1 . . . A 13 LEU HG . 19646 1 83 . 1 1 13 13 LEU HD11 H 1 0.865 0.003 . 2 . . . A 13 LEU HD11 . 19646 1 84 . 1 1 13 13 LEU HD12 H 1 0.865 0.003 . 2 . . . A 13 LEU HD12 . 19646 1 85 . 1 1 13 13 LEU HD13 H 1 0.865 0.003 . 2 . . . A 13 LEU HD13 . 19646 1 86 . 1 1 13 13 LEU HD21 H 1 0.901 0.002 . 2 . . . A 13 LEU HD21 . 19646 1 87 . 1 1 13 13 LEU HD22 H 1 0.901 0.002 . 2 . . . A 13 LEU HD22 . 19646 1 88 . 1 1 13 13 LEU HD23 H 1 0.901 0.002 . 2 . . . A 13 LEU HD23 . 19646 1 89 . 1 1 13 13 LEU CA C 13 54.112 0.019 . 1 . . . A 13 LEU CA . 19646 1 90 . 1 1 13 13 LEU CB C 13 43.288 0.034 . 1 . . . A 13 LEU CB . 19646 1 91 . 1 1 13 13 LEU CG C 13 28.227 0.037 . 1 . . . A 13 LEU CG . 19646 1 92 . 1 1 13 13 LEU CD1 C 13 24.974 0.043 . 2 . . . A 13 LEU CD1 . 19646 1 93 . 1 1 13 13 LEU CD2 C 13 25.383 0.035 . 2 . . . A 13 LEU CD2 . 19646 1 94 . 1 1 13 13 LEU N N 15 132.136 0.042 . 1 . . . A 13 LEU N . 19646 1 95 . 1 1 14 14 VAL H H 1 8.578 0.006 . 1 . . . A 14 VAL H . 19646 1 96 . 1 1 14 14 VAL HA H 1 4.149 0.008 . 1 . . . A 14 VAL HA . 19646 1 97 . 1 1 14 14 VAL HB H 1 1.931 0.003 . 1 . . . A 14 VAL HB . 19646 1 98 . 1 1 14 14 VAL HG11 H 1 0.860 0.004 . 2 . . . A 14 VAL HG11 . 19646 1 99 . 1 1 14 14 VAL HG12 H 1 0.860 0.004 . 2 . . . A 14 VAL HG12 . 19646 1 100 . 1 1 14 14 VAL HG13 H 1 0.860 0.004 . 2 . . . A 14 VAL HG13 . 19646 1 101 . 1 1 14 14 VAL HG21 H 1 0.864 0.005 . 2 . . . A 14 VAL HG21 . 19646 1 102 . 1 1 14 14 VAL HG22 H 1 0.864 0.005 . 2 . . . A 14 VAL HG22 . 19646 1 103 . 1 1 14 14 VAL HG23 H 1 0.864 0.005 . 2 . . . A 14 VAL HG23 . 19646 1 104 . 1 1 14 14 VAL CA C 13 61.132 0.036 . 1 . . . A 14 VAL CA . 19646 1 105 . 1 1 14 14 VAL CB C 13 32.365 0.006 . 1 . . . A 14 VAL CB . 19646 1 106 . 1 1 14 14 VAL CG1 C 13 20.987 0.039 . 2 . . . A 14 VAL CG1 . 19646 1 107 . 1 1 14 14 VAL CG2 C 13 20.981 0.008 . 2 . . . A 14 VAL CG2 . 19646 1 108 . 1 1 14 14 VAL N N 15 127.590 0.038 . 1 . . . A 14 VAL N . 19646 1 109 . 1 1 15 15 CYS H H 1 8.643 0.004 . 1 . . . A 15 CYS H . 19646 1 110 . 1 1 15 15 CYS HA H 1 4.291 0.005 . 1 . . . A 15 CYS HA . 19646 1 111 . 1 1 15 15 CYS HB2 H 1 2.962 0.006 . 2 . . . A 15 CYS HB2 . 19646 1 112 . 1 1 15 15 CYS HB3 H 1 2.691 0.007 . 2 . . . A 15 CYS HB3 . 19646 1 113 . 1 1 15 15 CYS CA C 13 56.014 0.000 . 1 . . . A 15 CYS CA . 19646 1 114 . 1 1 15 15 CYS CB C 13 40.082 0.029 . 1 . . . A 15 CYS CB . 19646 1 115 . 1 1 15 15 CYS N N 15 129.201 0.025 . 1 . . . A 15 CYS N . 19646 1 116 . 1 1 16 16 PRO HA H 1 4.497 0.003 . 1 . . . A 16 PRO HA . 19646 1 117 . 1 1 16 16 PRO HB2 H 1 2.290 0.011 . 2 . . . A 16 PRO HB2 . 19646 1 118 . 1 1 16 16 PRO HB3 H 1 2.100 0.005 . 2 . . . A 16 PRO HB3 . 19646 1 119 . 1 1 16 16 PRO HG2 H 1 2.154 0.012 . 2 . . . A 16 PRO HG2 . 19646 1 120 . 1 1 16 16 PRO HG3 H 1 2.062 0.013 . 2 . . . A 16 PRO HG3 . 19646 1 121 . 1 1 16 16 PRO HD2 H 1 3.801 0.008 . 2 . . . A 16 PRO HD2 . 19646 1 122 . 1 1 16 16 PRO HD3 H 1 3.613 0.007 . 2 . . . A 16 PRO HD3 . 19646 1 123 . 1 1 16 16 PRO CA C 13 62.350 0.034 . 1 . . . A 16 PRO CA . 19646 1 124 . 1 1 16 16 PRO CB C 13 32.151 0.045 . 1 . . . A 16 PRO CB . 19646 1 125 . 1 1 16 16 PRO CG C 13 27.459 0.041 . 1 . . . A 16 PRO CG . 19646 1 126 . 1 1 16 16 PRO CD C 13 50.442 0.012 . 1 . . . A 16 PRO CD . 19646 1 127 . 1 1 17 17 ALA H H 1 8.553 0.015 . 1 . . . A 17 ALA H . 19646 1 128 . 1 1 17 17 ALA HA H 1 4.120 0.004 . 1 . . . A 17 ALA HA . 19646 1 129 . 1 1 17 17 ALA HB1 H 1 1.376 0.004 . 1 . . . A 17 ALA HB1 . 19646 1 130 . 1 1 17 17 ALA HB2 H 1 1.376 0.004 . 1 . . . A 17 ALA HB2 . 19646 1 131 . 1 1 17 17 ALA HB3 H 1 1.376 0.004 . 1 . . . A 17 ALA HB3 . 19646 1 132 . 1 1 17 17 ALA CA C 13 53.417 0.060 . 1 . . . A 17 ALA CA . 19646 1 133 . 1 1 17 17 ALA CB C 13 18.882 0.151 . 1 . . . A 17 ALA CB . 19646 1 134 . 1 1 17 17 ALA N N 15 124.507 0.052 . 1 . . . A 17 ALA N . 19646 1 135 . 1 1 18 18 ASP H H 1 8.116 0.005 . 1 . . . A 18 ASP H . 19646 1 136 . 1 1 18 18 ASP HA H 1 4.505 0.004 . 1 . . . A 18 ASP HA . 19646 1 137 . 1 1 18 18 ASP HB2 H 1 2.748 0.005 . 2 . . . A 18 ASP HB2 . 19646 1 138 . 1 1 18 18 ASP HB3 H 1 2.635 0.004 . 2 . . . A 18 ASP HB3 . 19646 1 139 . 1 1 18 18 ASP CA C 13 53.654 0.012 . 1 . . . A 18 ASP CA . 19646 1 140 . 1 1 18 18 ASP CB C 13 40.387 0.050 . 1 . . . A 18 ASP CB . 19646 1 141 . 1 1 18 18 ASP N N 15 114.322 0.035 . 1 . . . A 18 ASP N . 19646 1 142 . 1 1 19 19 ASN H H 1 7.669 0.005 . 1 . . . A 19 ASN H . 19646 1 143 . 1 1 19 19 ASN HA H 1 4.656 0.007 . 1 . . . A 19 ASN HA . 19646 1 144 . 1 1 19 19 ASN HB2 H 1 2.809 0.004 . 2 . . . A 19 ASN HB2 . 19646 1 145 . 1 1 19 19 ASN HB3 H 1 2.813 0.000 . 2 . . . A 19 ASN HB3 . 19646 1 146 . 1 1 19 19 ASN HD21 H 1 7.623 0.005 . 1 . . . A 19 ASN HD21 . 19646 1 147 . 1 1 19 19 ASN HD22 H 1 6.892 0.002 . 1 . . . A 19 ASN HD22 . 19646 1 148 . 1 1 19 19 ASN CA C 13 53.230 0.034 . 1 . . . A 19 ASN CA . 19646 1 149 . 1 1 19 19 ASN CB C 13 38.076 0.028 . 1 . . . A 19 ASN CB . 19646 1 150 . 1 1 19 19 ASN N N 15 115.834 0.004 . 1 . . . A 19 ASN N . 19646 1 151 . 1 1 19 19 ASN ND2 N 15 111.505 0.026 . 1 . . . A 19 ASN ND2 . 19646 1 152 . 1 1 20 20 LEU HA H 1 4.287 0.005 . 1 . . . A 20 LEU HA . 19646 1 153 . 1 1 20 20 LEU HB2 H 1 1.659 0.002 . 2 . . . A 20 LEU HB2 . 19646 1 154 . 1 1 20 20 LEU HB3 H 1 1.596 0.003 . 2 . . . A 20 LEU HB3 . 19646 1 155 . 1 1 20 20 LEU HD11 H 1 0.918 0.008 . 2 . . . A 20 LEU HD11 . 19646 1 156 . 1 1 20 20 LEU HD12 H 1 0.918 0.008 . 2 . . . A 20 LEU HD12 . 19646 1 157 . 1 1 20 20 LEU HD13 H 1 0.918 0.008 . 2 . . . A 20 LEU HD13 . 19646 1 158 . 1 1 20 20 LEU HD21 H 1 0.847 0.006 . 2 . . . A 20 LEU HD21 . 19646 1 159 . 1 1 20 20 LEU HD22 H 1 0.847 0.006 . 2 . . . A 20 LEU HD22 . 19646 1 160 . 1 1 20 20 LEU HD23 H 1 0.847 0.006 . 2 . . . A 20 LEU HD23 . 19646 1 161 . 1 1 20 20 LEU CA C 13 55.807 0.021 . 1 . . . A 20 LEU CA . 19646 1 162 . 1 1 20 20 LEU CB C 13 41.758 0.035 . 1 . . . A 20 LEU CB . 19646 1 163 . 1 1 20 20 LEU CD1 C 13 25.022 0.002 . 2 . . . A 20 LEU CD1 . 19646 1 164 . 1 1 20 20 LEU CD2 C 13 23.143 0.040 . 2 . . . A 20 LEU CD2 . 19646 1 165 . 1 1 21 21 ARG H H 1 7.897 0.002 . 1 . . . A 21 ARG H . 19646 1 166 . 1 1 21 21 ARG HA H 1 4.303 0.004 . 1 . . . A 21 ARG HA . 19646 1 167 . 1 1 21 21 ARG HB2 H 1 1.946 0.004 . 2 . . . A 21 ARG HB2 . 19646 1 168 . 1 1 21 21 ARG HB3 H 1 1.736 0.004 . 2 . . . A 21 ARG HB3 . 19646 1 169 . 1 1 21 21 ARG HG2 H 1 1.642 0.003 . 2 . . . A 21 ARG HG2 . 19646 1 170 . 1 1 21 21 ARG HG3 H 1 1.540 0.005 . 2 . . . A 21 ARG HG3 . 19646 1 171 . 1 1 21 21 ARG HD2 H 1 3.180 0.003 . 2 . . . A 21 ARG HD2 . 19646 1 172 . 1 1 21 21 ARG HD3 H 1 3.182 0.000 . 2 . . . A 21 ARG HD3 . 19646 1 173 . 1 1 21 21 ARG CA C 13 55.632 0.020 . 1 . . . A 21 ARG CA . 19646 1 174 . 1 1 21 21 ARG CB C 13 29.732 0.032 . 1 . . . A 21 ARG CB . 19646 1 175 . 1 1 21 21 ARG CG C 13 27.129 0.031 . 1 . . . A 21 ARG CG . 19646 1 176 . 1 1 21 21 ARG CD C 13 43.128 0.046 . 1 . . . A 21 ARG CD . 19646 1 177 . 1 1 21 21 ARG N N 15 117.867 0.042 . 1 . . . A 21 ARG N . 19646 1 178 . 1 1 22 22 ALA H H 1 7.345 0.012 . 1 . . . A 22 ALA H . 19646 1 179 . 1 1 22 22 ALA HA H 1 4.215 0.003 . 1 . . . A 22 ALA HA . 19646 1 180 . 1 1 22 22 ALA HB1 H 1 1.349 0.006 . 1 . . . A 22 ALA HB1 . 19646 1 181 . 1 1 22 22 ALA HB2 H 1 1.349 0.006 . 1 . . . A 22 ALA HB2 . 19646 1 182 . 1 1 22 22 ALA HB3 H 1 1.349 0.006 . 1 . . . A 22 ALA HB3 . 19646 1 183 . 1 1 22 22 ALA CA C 13 52.261 0.046 . 1 . . . A 22 ALA CA . 19646 1 184 . 1 1 22 22 ALA CB C 13 20.466 0.035 . 1 . . . A 22 ALA CB . 19646 1 185 . 1 1 22 22 ALA N N 15 123.746 0.007 . 1 . . . A 22 ALA N . 19646 1 186 . 1 1 23 23 GLU H H 1 8.061 0.008 . 1 . . . A 23 GLU H . 19646 1 187 . 1 1 23 23 GLU HA H 1 4.542 0.009 . 1 . . . A 23 GLU HA . 19646 1 188 . 1 1 23 23 GLU HB2 H 1 2.273 0.001 . 2 . . . A 23 GLU HB2 . 19646 1 189 . 1 1 23 23 GLU HB3 H 1 1.885 0.010 . 2 . . . A 23 GLU HB3 . 19646 1 190 . 1 1 23 23 GLU HG2 H 1 2.131 0.017 . 2 . . . A 23 GLU HG2 . 19646 1 191 . 1 1 23 23 GLU HG3 H 1 1.710 0.005 . 2 . . . A 23 GLU HG3 . 19646 1 192 . 1 1 23 23 GLU CA C 13 56.544 0.050 . 1 . . . A 23 GLU CA . 19646 1 193 . 1 1 23 23 GLU N N 15 119.157 0.039 . 1 . . . A 23 GLU N . 19646 1 194 . 1 1 25 25 LEU HA H 1 4.315 0.003 . 1 . . . A 25 LEU HA . 19646 1 195 . 1 1 25 25 LEU HB2 H 1 1.666 0.000 . 2 . . . A 25 LEU HB2 . 19646 1 196 . 1 1 25 25 LEU HB3 H 1 1.576 0.000 . 2 . . . A 25 LEU HB3 . 19646 1 197 . 1 1 25 25 LEU HG H 1 1.600 0.000 . 1 . . . A 25 LEU HG . 19646 1 198 . 1 1 25 25 LEU HD11 H 1 0.895 0.001 . 2 . . . A 25 LEU HD11 . 19646 1 199 . 1 1 25 25 LEU HD12 H 1 0.895 0.001 . 2 . . . A 25 LEU HD12 . 19646 1 200 . 1 1 25 25 LEU HD13 H 1 0.895 0.001 . 2 . . . A 25 LEU HD13 . 19646 1 201 . 1 1 25 25 LEU HD21 H 1 0.835 0.001 . 2 . . . A 25 LEU HD21 . 19646 1 202 . 1 1 25 25 LEU HD22 H 1 0.835 0.001 . 2 . . . A 25 LEU HD22 . 19646 1 203 . 1 1 25 25 LEU HD23 H 1 0.835 0.001 . 2 . . . A 25 LEU HD23 . 19646 1 204 . 1 1 25 25 LEU CA C 13 55.313 0.013 . 1 . . . A 25 LEU CA . 19646 1 205 . 1 1 25 25 LEU CB C 13 42.152 0.007 . 1 . . . A 25 LEU CB . 19646 1 206 . 1 1 25 25 LEU CG C 13 26.986 0.000 . 1 . . . A 25 LEU CG . 19646 1 207 . 1 1 25 25 LEU CD1 C 13 25.081 0.002 . 2 . . . A 25 LEU CD1 . 19646 1 208 . 1 1 25 25 LEU CD2 C 13 23.503 0.008 . 2 . . . A 25 LEU CD2 . 19646 1 209 . 1 1 26 26 GLU H H 1 8.165 0.004 . 1 . . . A 26 GLU H . 19646 1 210 . 1 1 26 26 GLU N N 15 121.770 0.058 . 1 . . . A 26 GLU N . 19646 1 211 . 1 1 28 28 THR HB H 1 4.085 0.002 . 1 . . . A 28 THR HB . 19646 1 212 . 1 1 28 28 THR HG21 H 1 1.224 0.003 . 1 . . . A 28 THR HG21 . 19646 1 213 . 1 1 28 28 THR HG22 H 1 1.224 0.003 . 1 . . . A 28 THR HG22 . 19646 1 214 . 1 1 28 28 THR HG23 H 1 1.224 0.003 . 1 . . . A 28 THR HG23 . 19646 1 215 . 1 1 28 28 THR CB C 13 70.366 0.016 . 1 . . . A 28 THR CB . 19646 1 216 . 1 1 28 28 THR CG2 C 13 21.424 0.019 . 1 . . . A 28 THR CG2 . 19646 1 217 . 1 1 29 29 LYS H H 1 8.762 0.005 . 1 . . . A 29 LYS H . 19646 1 218 . 1 1 29 29 LYS HA H 1 5.059 0.004 . 1 . . . A 29 LYS HA . 19646 1 219 . 1 1 29 29 LYS HB2 H 1 1.863 0.002 . 2 . . . A 29 LYS HB2 . 19646 1 220 . 1 1 29 29 LYS HB3 H 1 1.845 0.003 . 2 . . . A 29 LYS HB3 . 19646 1 221 . 1 1 29 29 LYS HG2 H 1 1.655 0.003 . 2 . . . A 29 LYS HG2 . 19646 1 222 . 1 1 29 29 LYS HG3 H 1 1.621 0.004 . 2 . . . A 29 LYS HG3 . 19646 1 223 . 1 1 29 29 LYS HE2 H 1 2.925 0.004 . 2 . . . A 29 LYS HE2 . 19646 1 224 . 1 1 29 29 LYS HE3 H 1 2.928 0.000 . 2 . . . A 29 LYS HE3 . 19646 1 225 . 1 1 29 29 LYS CA C 13 54.874 0.015 . 1 . . . A 29 LYS CA . 19646 1 226 . 1 1 29 29 LYS CB C 13 34.598 0.032 . 1 . . . A 29 LYS CB . 19646 1 227 . 1 1 29 29 LYS CG C 13 24.691 0.015 . 1 . . . A 29 LYS CG . 19646 1 228 . 1 1 29 29 LYS CE C 13 42.477 0.027 . 1 . . . A 29 LYS CE . 19646 1 229 . 1 1 29 29 LYS N N 15 128.269 0.040 . 1 . . . A 29 LYS N . 19646 1 230 . 1 1 30 30 THR H H 1 9.410 0.004 . 1 . . . A 30 THR H . 19646 1 231 . 1 1 30 30 THR HA H 1 5.450 0.006 . 1 . . . A 30 THR HA . 19646 1 232 . 1 1 30 30 THR HB H 1 4.953 0.006 . 1 . . . A 30 THR HB . 19646 1 233 . 1 1 30 30 THR HG21 H 1 1.217 0.003 . 1 . . . A 30 THR HG21 . 19646 1 234 . 1 1 30 30 THR HG22 H 1 1.217 0.003 . 1 . . . A 30 THR HG22 . 19646 1 235 . 1 1 30 30 THR HG23 H 1 1.217 0.003 . 1 . . . A 30 THR HG23 . 19646 1 236 . 1 1 30 30 THR CA C 13 58.958 0.026 . 1 . . . A 30 THR CA . 19646 1 237 . 1 1 30 30 THR CB C 13 72.724 0.039 . 1 . . . A 30 THR CB . 19646 1 238 . 1 1 30 30 THR CG2 C 13 21.387 0.034 . 1 . . . A 30 THR CG2 . 19646 1 239 . 1 1 30 30 THR N N 15 116.019 0.037 . 1 . . . A 30 THR N . 19646 1 240 . 1 1 31 31 CYS H H 1 8.587 0.005 . 1 . . . A 31 CYS H . 19646 1 241 . 1 1 31 31 CYS HA H 1 4.376 0.003 . 1 . . . A 31 CYS HA . 19646 1 242 . 1 1 31 31 CYS HB2 H 1 3.181 0.003 . 2 . . . A 31 CYS HB2 . 19646 1 243 . 1 1 31 31 CYS HB3 H 1 3.034 0.005 . 2 . . . A 31 CYS HB3 . 19646 1 244 . 1 1 31 31 CYS CA C 13 57.480 0.072 . 1 . . . A 31 CYS CA . 19646 1 245 . 1 1 31 31 CYS CB C 13 36.316 0.037 . 1 . . . A 31 CYS CB . 19646 1 246 . 1 1 31 31 CYS N N 15 115.821 0.026 . 1 . . . A 31 CYS N . 19646 1 247 . 1 1 32 32 GLN H H 1 8.303 0.004 . 1 . . . A 32 GLN H . 19646 1 248 . 1 1 32 32 GLN HA H 1 4.127 0.003 . 1 . . . A 32 GLN HA . 19646 1 249 . 1 1 32 32 GLN HB2 H 1 1.945 0.004 . 2 . . . A 32 GLN HB2 . 19646 1 250 . 1 1 32 32 GLN HB3 H 1 1.863 0.003 . 2 . . . A 32 GLN HB3 . 19646 1 251 . 1 1 32 32 GLN HG2 H 1 2.155 0.007 . 2 . . . A 32 GLN HG2 . 19646 1 252 . 1 1 32 32 GLN HG3 H 1 2.162 0.001 . 2 . . . A 32 GLN HG3 . 19646 1 253 . 1 1 32 32 GLN HE21 H 1 7.329 0.004 . 1 . . . A 32 GLN HE21 . 19646 1 254 . 1 1 32 32 GLN HE22 H 1 6.751 0.002 . 1 . . . A 32 GLN HE22 . 19646 1 255 . 1 1 32 32 GLN CA C 13 58.102 0.038 . 1 . . . A 32 GLN CA . 19646 1 256 . 1 1 32 32 GLN CB C 13 29.341 0.052 . 1 . . . A 32 GLN CB . 19646 1 257 . 1 1 32 32 GLN CG C 13 34.424 0.065 . 1 . . . A 32 GLN CG . 19646 1 258 . 1 1 32 32 GLN N N 15 115.926 0.043 . 1 . . . A 32 GLN N . 19646 1 259 . 1 1 32 32 GLN NE2 N 15 111.938 0.031 . 1 . . . A 32 GLN NE2 . 19646 1 260 . 1 1 33 33 ASN H H 1 7.925 0.006 . 1 . . . A 33 ASN H . 19646 1 261 . 1 1 33 33 ASN HA H 1 4.760 0.006 . 1 . . . A 33 ASN HA . 19646 1 262 . 1 1 33 33 ASN HB2 H 1 3.316 0.007 . 2 . . . A 33 ASN HB2 . 19646 1 263 . 1 1 33 33 ASN HB3 H 1 2.628 0.006 . 2 . . . A 33 ASN HB3 . 19646 1 264 . 1 1 33 33 ASN HD21 H 1 7.396 0.005 . 1 . . . A 33 ASN HD21 . 19646 1 265 . 1 1 33 33 ASN HD22 H 1 7.010 0.009 . 1 . . . A 33 ASN HD22 . 19646 1 266 . 1 1 33 33 ASN CA C 13 51.927 0.000 . 1 . . . A 33 ASN CA . 19646 1 267 . 1 1 33 33 ASN CB C 13 39.325 0.039 . 1 . . . A 33 ASN CB . 19646 1 268 . 1 1 33 33 ASN N N 15 117.107 0.053 . 1 . . . A 33 ASN N . 19646 1 269 . 1 1 33 33 ASN ND2 N 15 108.104 0.062 . 1 . . . A 33 ASN ND2 . 19646 1 270 . 1 1 34 34 TYR H H 1 7.310 0.003 . 1 . . . A 34 TYR H . 19646 1 271 . 1 1 34 34 TYR HA H 1 3.885 0.007 . 1 . . . A 34 TYR HA . 19646 1 272 . 1 1 34 34 TYR HB2 H 1 3.384 0.004 . 2 . . . A 34 TYR HB2 . 19646 1 273 . 1 1 34 34 TYR HB3 H 1 2.739 0.007 . 2 . . . A 34 TYR HB3 . 19646 1 274 . 1 1 34 34 TYR HD1 H 1 6.952 0.005 . 3 . . . A 34 TYR HD1 . 19646 1 275 . 1 1 34 34 TYR HD2 H 1 6.952 0.005 . 3 . . . A 34 TYR HD2 . 19646 1 276 . 1 1 34 34 TYR HE1 H 1 6.702 0.003 . 3 . . . A 34 TYR HE1 . 19646 1 277 . 1 1 34 34 TYR HE2 H 1 6.702 0.003 . 3 . . . A 34 TYR HE2 . 19646 1 278 . 1 1 34 34 TYR CA C 13 63.779 0.033 . 1 . . . A 34 TYR CA . 19646 1 279 . 1 1 34 34 TYR CB C 13 39.078 0.046 . 1 . . . A 34 TYR CB . 19646 1 280 . 1 1 34 34 TYR CD1 C 13 133.344 0.060 . 3 . . . A 34 TYR CD1 . 19646 1 281 . 1 1 34 34 TYR CD2 C 13 133.344 0.060 . 3 . . . A 34 TYR CD2 . 19646 1 282 . 1 1 34 34 TYR CE1 C 13 118.227 0.087 . 3 . . . A 34 TYR CE1 . 19646 1 283 . 1 1 34 34 TYR CE2 C 13 118.227 0.087 . 3 . . . A 34 TYR CE2 . 19646 1 284 . 1 1 34 34 TYR N N 15 120.190 0.033 . 1 . . . A 34 TYR N . 19646 1 285 . 1 1 35 35 ASP H H 1 8.291 0.003 . 1 . . . A 35 ASP H . 19646 1 286 . 1 1 35 35 ASP HA H 1 4.507 0.003 . 1 . . . A 35 ASP HA . 19646 1 287 . 1 1 35 35 ASP HB2 H 1 2.793 0.010 . 2 . . . A 35 ASP HB2 . 19646 1 288 . 1 1 35 35 ASP HB3 H 1 2.472 0.003 . 2 . . . A 35 ASP HB3 . 19646 1 289 . 1 1 35 35 ASP CA C 13 54.482 0.063 . 1 . . . A 35 ASP CA . 19646 1 290 . 1 1 35 35 ASP CB C 13 41.078 0.046 . 1 . . . A 35 ASP CB . 19646 1 291 . 1 1 35 35 ASP N N 15 113.579 0.032 . 1 . . . A 35 ASP N . 19646 1 292 . 1 1 36 36 LEU H H 1 7.787 0.004 . 1 . . . A 36 LEU H . 19646 1 293 . 1 1 36 36 LEU HA H 1 4.406 0.004 . 1 . . . A 36 LEU HA . 19646 1 294 . 1 1 36 36 LEU HB2 H 1 1.742 0.004 . 2 . . . A 36 LEU HB2 . 19646 1 295 . 1 1 36 36 LEU HB3 H 1 1.490 0.003 . 2 . . . A 36 LEU HB3 . 19646 1 296 . 1 1 36 36 LEU HG H 1 1.566 0.004 . 1 . . . A 36 LEU HG . 19646 1 297 . 1 1 36 36 LEU HD11 H 1 0.912 0.004 . 2 . . . A 36 LEU HD11 . 19646 1 298 . 1 1 36 36 LEU HD12 H 1 0.912 0.004 . 2 . . . A 36 LEU HD12 . 19646 1 299 . 1 1 36 36 LEU HD13 H 1 0.912 0.004 . 2 . . . A 36 LEU HD13 . 19646 1 300 . 1 1 36 36 LEU HD21 H 1 0.813 0.005 . 2 . . . A 36 LEU HD21 . 19646 1 301 . 1 1 36 36 LEU HD22 H 1 0.813 0.005 . 2 . . . A 36 LEU HD22 . 19646 1 302 . 1 1 36 36 LEU HD23 H 1 0.813 0.005 . 2 . . . A 36 LEU HD23 . 19646 1 303 . 1 1 36 36 LEU CA C 13 53.959 0.018 . 1 . . . A 36 LEU CA . 19646 1 304 . 1 1 36 36 LEU CB C 13 42.569 0.050 . 1 . . . A 36 LEU CB . 19646 1 305 . 1 1 36 36 LEU CG C 13 26.865 0.017 . 1 . . . A 36 LEU CG . 19646 1 306 . 1 1 36 36 LEU CD1 C 13 25.304 0.021 . 2 . . . A 36 LEU CD1 . 19646 1 307 . 1 1 36 36 LEU CD2 C 13 22.659 0.026 . 2 . . . A 36 LEU CD2 . 19646 1 308 . 1 1 36 36 LEU N N 15 120.878 0.042 . 1 . . . A 36 LEU N . 19646 1 309 . 1 1 37 37 GLU H H 1 8.490 0.005 . 1 . . . A 37 GLU H . 19646 1 310 . 1 1 37 37 GLU HA H 1 4.120 0.005 . 1 . . . A 37 GLU HA . 19646 1 311 . 1 1 37 37 GLU HB2 H 1 1.909 0.001 . 2 . . . A 37 GLU HB2 . 19646 1 312 . 1 1 37 37 GLU HB3 H 1 1.863 0.003 . 2 . . . A 37 GLU HB3 . 19646 1 313 . 1 1 37 37 GLU HG2 H 1 2.241 0.004 . 2 . . . A 37 GLU HG2 . 19646 1 314 . 1 1 37 37 GLU HG3 H 1 2.168 0.002 . 2 . . . A 37 GLU HG3 . 19646 1 315 . 1 1 37 37 GLU CA C 13 56.295 0.037 . 1 . . . A 37 GLU CA . 19646 1 316 . 1 1 37 37 GLU CB C 13 30.252 0.013 . 1 . . . A 37 GLU CB . 19646 1 317 . 1 1 37 37 GLU CG C 13 36.298 0.023 . 1 . . . A 37 GLU CG . 19646 1 318 . 1 1 37 37 GLU N N 15 122.509 0.035 . 1 . . . A 37 GLU N . 19646 1 319 . 1 1 39 39 MET HA H 1 4.588 0.009 . 1 . . . A 39 MET HA . 19646 1 320 . 1 1 39 39 MET HB2 H 1 2.008 0.001 . 2 . . . A 39 MET HB2 . 19646 1 321 . 1 1 39 39 MET HB3 H 1 1.925 0.001 . 2 . . . A 39 MET HB3 . 19646 1 322 . 1 1 39 39 MET HG2 H 1 2.498 0.001 . 2 . . . A 39 MET HG2 . 19646 1 323 . 1 1 39 39 MET HG3 H 1 2.414 0.002 . 2 . . . A 39 MET HG3 . 19646 1 324 . 1 1 39 39 MET CA C 13 54.180 0.000 . 1 . . . A 39 MET CA . 19646 1 325 . 1 1 39 39 MET CB C 13 31.754 0.009 . 1 . . . A 39 MET CB . 19646 1 326 . 1 1 39 39 MET CG C 13 32.049 0.002 . 1 . . . A 39 MET CG . 19646 1 327 . 1 1 40 40 SER H H 1 8.374 0.005 . 1 . . . A 40 SER H . 19646 1 328 . 1 1 40 40 SER HA H 1 4.288 0.002 . 1 . . . A 40 SER HA . 19646 1 329 . 1 1 40 40 SER HB2 H 1 3.924 0.005 . 2 . . . A 40 SER HB2 . 19646 1 330 . 1 1 40 40 SER HB3 H 1 3.698 0.002 . 2 . . . A 40 SER HB3 . 19646 1 331 . 1 1 40 40 SER CA C 13 58.207 0.030 . 1 . . . A 40 SER CA . 19646 1 332 . 1 1 40 40 SER CB C 13 63.324 0.018 . 1 . . . A 40 SER CB . 19646 1 333 . 1 1 40 40 SER N N 15 118.194 0.028 . 1 . . . A 40 SER N . 19646 1 334 . 1 1 41 41 MET HA H 1 4.677 0.001 . 1 . . . A 41 MET HA . 19646 1 335 . 1 1 41 41 MET HG2 H 1 2.687 0.000 . 2 . . . A 41 MET HG2 . 19646 1 336 . 1 1 41 41 MET HG3 H 1 2.491 0.002 . 2 . . . A 41 MET HG3 . 19646 1 337 . 1 1 41 41 MET CA C 13 54.482 0.000 . 1 . . . A 41 MET CA . 19646 1 338 . 1 1 41 41 MET CG C 13 32.366 0.033 . 1 . . . A 41 MET CG . 19646 1 339 . 1 1 42 42 GLY H H 1 8.035 0.003 . 1 . . . A 42 GLY H . 19646 1 340 . 1 1 42 42 GLY HA2 H 1 4.081 0.007 . 2 . . . A 42 GLY HA2 . 19646 1 341 . 1 1 42 42 GLY HA3 H 1 3.601 0.004 . 2 . . . A 42 GLY HA3 . 19646 1 342 . 1 1 42 42 GLY CA C 13 45.423 0.041 . 1 . . . A 42 GLY CA . 19646 1 343 . 1 1 42 42 GLY N N 15 111.120 0.027 . 1 . . . A 42 GLY N . 19646 1 344 . 1 1 43 43 CYS H H 1 8.463 0.004 . 1 . . . A 43 CYS H . 19646 1 345 . 1 1 43 43 CYS HA H 1 4.556 0.002 . 1 . . . A 43 CYS HA . 19646 1 346 . 1 1 43 43 CYS HB2 H 1 3.105 0.010 . 2 . . . A 43 CYS HB2 . 19646 1 347 . 1 1 43 43 CYS HB3 H 1 2.843 0.003 . 2 . . . A 43 CYS HB3 . 19646 1 348 . 1 1 43 43 CYS CB C 13 38.600 0.042 . 1 . . . A 43 CYS CB . 19646 1 349 . 1 1 43 43 CYS N N 15 126.270 0.086 . 1 . . . A 43 CYS N . 19646 1 350 . 1 1 44 44 VAL HA H 1 4.218 0.003 . 1 . . . A 44 VAL HA . 19646 1 351 . 1 1 44 44 VAL HB H 1 2.007 0.003 . 1 . . . A 44 VAL HB . 19646 1 352 . 1 1 44 44 VAL HG11 H 1 1.055 0.003 . 2 . . . A 44 VAL HG11 . 19646 1 353 . 1 1 44 44 VAL HG12 H 1 1.055 0.003 . 2 . . . A 44 VAL HG12 . 19646 1 354 . 1 1 44 44 VAL HG13 H 1 1.055 0.003 . 2 . . . A 44 VAL HG13 . 19646 1 355 . 1 1 44 44 VAL HG21 H 1 1.029 0.001 . 2 . . . A 44 VAL HG21 . 19646 1 356 . 1 1 44 44 VAL HG22 H 1 1.029 0.001 . 2 . . . A 44 VAL HG22 . 19646 1 357 . 1 1 44 44 VAL HG23 H 1 1.029 0.001 . 2 . . . A 44 VAL HG23 . 19646 1 358 . 1 1 44 44 VAL CA C 13 62.334 0.024 . 1 . . . A 44 VAL CA . 19646 1 359 . 1 1 44 44 VAL CB C 13 34.050 0.063 . 1 . . . A 44 VAL CB . 19646 1 360 . 1 1 44 44 VAL CG1 C 13 21.145 0.030 . 2 . . . A 44 VAL CG1 . 19646 1 361 . 1 1 44 44 VAL CG2 C 13 21.330 0.055 . 2 . . . A 44 VAL CG2 . 19646 1 362 . 1 1 45 45 SER H H 1 8.484 0.003 . 1 . . . A 45 SER H . 19646 1 363 . 1 1 45 45 SER HA H 1 4.528 0.005 . 1 . . . A 45 SER HA . 19646 1 364 . 1 1 45 45 SER HB2 H 1 4.186 0.005 . 2 . . . A 45 SER HB2 . 19646 1 365 . 1 1 45 45 SER HB3 H 1 3.848 0.007 . 2 . . . A 45 SER HB3 . 19646 1 366 . 1 1 45 45 SER CA C 13 59.211 0.043 . 1 . . . A 45 SER CA . 19646 1 367 . 1 1 45 45 SER CB C 13 64.191 0.051 . 1 . . . A 45 SER CB . 19646 1 368 . 1 1 45 45 SER N N 15 126.084 0.037 . 1 . . . A 45 SER N . 19646 1 369 . 1 1 46 46 GLY H H 1 8.516 0.004 . 1 . . . A 46 GLY H . 19646 1 370 . 1 1 46 46 GLY HA2 H 1 4.320 0.006 . 2 . . . A 46 GLY HA2 . 19646 1 371 . 1 1 46 46 GLY HA3 H 1 3.916 0.009 . 2 . . . A 46 GLY HA3 . 19646 1 372 . 1 1 46 46 GLY CA C 13 45.758 0.085 . 1 . . . A 46 GLY CA . 19646 1 373 . 1 1 46 46 GLY N N 15 107.758 0.051 . 1 . . . A 46 GLY N . 19646 1 374 . 1 1 47 47 CYS H H 1 8.554 0.007 . 1 . . . A 47 CYS H . 19646 1 375 . 1 1 47 47 CYS HA H 1 5.227 0.008 . 1 . . . A 47 CYS HA . 19646 1 376 . 1 1 47 47 CYS HB2 H 1 2.825 0.007 . 2 . . . A 47 CYS HB2 . 19646 1 377 . 1 1 47 47 CYS HB3 H 1 2.798 0.003 . 2 . . . A 47 CYS HB3 . 19646 1 378 . 1 1 47 47 CYS CA C 13 54.413 0.038 . 1 . . . A 47 CYS CA . 19646 1 379 . 1 1 47 47 CYS CB C 13 41.276 0.009 . 1 . . . A 47 CYS CB . 19646 1 380 . 1 1 47 47 CYS N N 15 120.532 0.019 . 1 . . . A 47 CYS N . 19646 1 381 . 1 1 48 48 LEU H H 1 9.410 0.004 . 1 . . . A 48 LEU H . 19646 1 382 . 1 1 48 48 LEU HA H 1 4.686 0.007 . 1 . . . A 48 LEU HA . 19646 1 383 . 1 1 48 48 LEU HB2 H 1 1.737 0.005 . 2 . . . A 48 LEU HB2 . 19646 1 384 . 1 1 48 48 LEU HB3 H 1 1.600 0.003 . 2 . . . A 48 LEU HB3 . 19646 1 385 . 1 1 48 48 LEU HG H 1 1.748 0.004 . 1 . . . A 48 LEU HG . 19646 1 386 . 1 1 48 48 LEU HD11 H 1 0.883 0.004 . 2 . . . A 48 LEU HD11 . 19646 1 387 . 1 1 48 48 LEU HD12 H 1 0.883 0.004 . 2 . . . A 48 LEU HD12 . 19646 1 388 . 1 1 48 48 LEU HD13 H 1 0.883 0.004 . 2 . . . A 48 LEU HD13 . 19646 1 389 . 1 1 48 48 LEU HD21 H 1 0.834 0.004 . 2 . . . A 48 LEU HD21 . 19646 1 390 . 1 1 48 48 LEU HD22 H 1 0.834 0.004 . 2 . . . A 48 LEU HD22 . 19646 1 391 . 1 1 48 48 LEU HD23 H 1 0.834 0.004 . 2 . . . A 48 LEU HD23 . 19646 1 392 . 1 1 48 48 LEU CA C 13 53.774 0.017 . 1 . . . A 48 LEU CA . 19646 1 393 . 1 1 48 48 LEU CB C 13 45.572 0.041 . 1 . . . A 48 LEU CB . 19646 1 394 . 1 1 48 48 LEU CG C 13 27.044 0.038 . 1 . . . A 48 LEU CG . 19646 1 395 . 1 1 48 48 LEU CD1 C 13 25.905 0.029 . 2 . . . A 48 LEU CD1 . 19646 1 396 . 1 1 48 48 LEU CD2 C 13 24.858 0.065 . 2 . . . A 48 LEU CD2 . 19646 1 397 . 1 1 48 48 LEU N N 15 125.794 0.035 . 1 . . . A 48 LEU N . 19646 1 398 . 1 1 49 49 CYS H H 1 9.188 0.010 . 1 . . . A 49 CYS H . 19646 1 399 . 1 1 49 49 CYS HA H 1 4.522 0.000 . 1 . . . A 49 CYS HA . 19646 1 400 . 1 1 49 49 CYS HB2 H 1 2.271 0.004 . 2 . . . A 49 CYS HB2 . 19646 1 401 . 1 1 49 49 CYS HB3 H 1 2.144 0.004 . 2 . . . A 49 CYS HB3 . 19646 1 402 . 1 1 49 49 CYS CA C 13 54.090 0.000 . 1 . . . A 49 CYS CA . 19646 1 403 . 1 1 49 49 CYS CB C 13 36.633 0.045 . 1 . . . A 49 CYS CB . 19646 1 404 . 1 1 49 49 CYS N N 15 119.162 0.032 . 1 . . . A 49 CYS N . 19646 1 405 . 1 1 52 52 GLY HA2 H 1 4.328 0.009 . 2 . . . A 52 GLY HA2 . 19646 1 406 . 1 1 52 52 GLY HA3 H 1 3.662 0.002 . 2 . . . A 52 GLY HA3 . 19646 1 407 . 1 1 52 52 GLY CA C 13 44.936 0.017 . 1 . . . A 52 GLY CA . 19646 1 408 . 1 1 53 53 MET H H 1 8.297 0.004 . 1 . . . A 53 MET H . 19646 1 409 . 1 1 53 53 MET HA H 1 5.043 0.008 . 1 . . . A 53 MET HA . 19646 1 410 . 1 1 53 53 MET HB2 H 1 1.957 0.011 . 2 . . . A 53 MET HB2 . 19646 1 411 . 1 1 53 53 MET HB3 H 1 1.755 0.007 . 2 . . . A 53 MET HB3 . 19646 1 412 . 1 1 53 53 MET HG2 H 1 2.447 0.004 . 2 . . . A 53 MET HG2 . 19646 1 413 . 1 1 53 53 MET HG3 H 1 2.050 0.006 . 2 . . . A 53 MET HG3 . 19646 1 414 . 1 1 53 53 MET HE1 H 1 1.933 0.002 . 1 . . . A 53 MET HE1 . 19646 1 415 . 1 1 53 53 MET HE2 H 1 1.933 0.002 . 1 . . . A 53 MET HE2 . 19646 1 416 . 1 1 53 53 MET HE3 H 1 1.933 0.002 . 1 . . . A 53 MET HE3 . 19646 1 417 . 1 1 53 53 MET CA C 13 54.425 0.064 . 1 . . . A 53 MET CA . 19646 1 418 . 1 1 53 53 MET CB C 13 37.090 0.025 . 1 . . . A 53 MET CB . 19646 1 419 . 1 1 53 53 MET CG C 13 33.534 0.048 . 1 . . . A 53 MET CG . 19646 1 420 . 1 1 53 53 MET CE C 13 18.403 0.089 . 1 . . . A 53 MET CE . 19646 1 421 . 1 1 53 53 MET N N 15 118.736 0.031 . 1 . . . A 53 MET N . 19646 1 422 . 1 1 54 54 VAL H H 1 9.126 0.005 . 1 . . . A 54 VAL H . 19646 1 423 . 1 1 54 54 VAL HA H 1 4.576 0.006 . 1 . . . A 54 VAL HA . 19646 1 424 . 1 1 54 54 VAL HB H 1 1.825 0.004 . 1 . . . A 54 VAL HB . 19646 1 425 . 1 1 54 54 VAL HG11 H 1 0.734 0.004 . 2 . . . A 54 VAL HG11 . 19646 1 426 . 1 1 54 54 VAL HG12 H 1 0.734 0.004 . 2 . . . A 54 VAL HG12 . 19646 1 427 . 1 1 54 54 VAL HG13 H 1 0.734 0.004 . 2 . . . A 54 VAL HG13 . 19646 1 428 . 1 1 54 54 VAL HG21 H 1 0.571 0.004 . 2 . . . A 54 VAL HG21 . 19646 1 429 . 1 1 54 54 VAL HG22 H 1 0.571 0.004 . 2 . . . A 54 VAL HG22 . 19646 1 430 . 1 1 54 54 VAL HG23 H 1 0.571 0.004 . 2 . . . A 54 VAL HG23 . 19646 1 431 . 1 1 54 54 VAL CA C 13 58.879 0.039 . 1 . . . A 54 VAL CA . 19646 1 432 . 1 1 54 54 VAL CB C 13 35.361 0.046 . 1 . . . A 54 VAL CB . 19646 1 433 . 1 1 54 54 VAL CG1 C 13 23.542 0.029 . 2 . . . A 54 VAL CG1 . 19646 1 434 . 1 1 54 54 VAL CG2 C 13 19.578 0.023 . 2 . . . A 54 VAL CG2 . 19646 1 435 . 1 1 54 54 VAL N N 15 113.319 0.052 . 1 . . . A 54 VAL N . 19646 1 436 . 1 1 55 55 ARG H H 1 8.490 0.005 . 1 . . . A 55 ARG H . 19646 1 437 . 1 1 55 55 ARG HA H 1 4.980 0.005 . 1 . . . A 55 ARG HA . 19646 1 438 . 1 1 55 55 ARG HB2 H 1 1.821 0.002 . 2 . . . A 55 ARG HB2 . 19646 1 439 . 1 1 55 55 ARG HB3 H 1 1.776 0.004 . 2 . . . A 55 ARG HB3 . 19646 1 440 . 1 1 55 55 ARG HG2 H 1 1.633 0.003 . 2 . . . A 55 ARG HG2 . 19646 1 441 . 1 1 55 55 ARG HG3 H 1 1.520 0.005 . 2 . . . A 55 ARG HG3 . 19646 1 442 . 1 1 55 55 ARG HD2 H 1 3.112 0.006 . 2 . . . A 55 ARG HD2 . 19646 1 443 . 1 1 55 55 ARG HD3 H 1 3.075 0.003 . 2 . . . A 55 ARG HD3 . 19646 1 444 . 1 1 55 55 ARG CA C 13 55.602 0.041 . 1 . . . A 55 ARG CA . 19646 1 445 . 1 1 55 55 ARG CB C 13 31.287 0.030 . 1 . . . A 55 ARG CB . 19646 1 446 . 1 1 55 55 ARG CG C 13 27.370 0.045 . 1 . . . A 55 ARG CG . 19646 1 447 . 1 1 55 55 ARG CD C 13 43.535 0.038 . 1 . . . A 55 ARG CD . 19646 1 448 . 1 1 55 55 ARG N N 15 122.532 0.038 . 1 . . . A 55 ARG N . 19646 1 449 . 1 1 56 56 HIS H H 1 9.100 0.009 . 1 . . . A 56 HIS H . 19646 1 450 . 1 1 56 56 HIS HA H 1 4.858 0.006 . 1 . . . A 56 HIS HA . 19646 1 451 . 1 1 56 56 HIS HB2 H 1 3.006 0.004 . 2 . . . A 56 HIS HB2 . 19646 1 452 . 1 1 56 56 HIS HB3 H 1 2.840 0.007 . 2 . . . A 56 HIS HB3 . 19646 1 453 . 1 1 56 56 HIS HD2 H 1 6.896 0.007 . 1 . . . A 56 HIS HD2 . 19646 1 454 . 1 1 56 56 HIS HE1 H 1 7.793 0.004 . 1 . . . A 56 HIS HE1 . 19646 1 455 . 1 1 56 56 HIS CA C 13 56.971 0.057 . 1 . . . A 56 HIS CA . 19646 1 456 . 1 1 56 56 HIS CB C 13 34.758 0.033 . 1 . . . A 56 HIS CB . 19646 1 457 . 1 1 56 56 HIS CD2 C 13 117.027 0.038 . 1 . . . A 56 HIS CD2 . 19646 1 458 . 1 1 56 56 HIS CE1 C 13 138.910 0.035 . 1 . . . A 56 HIS CE1 . 19646 1 459 . 1 1 56 56 HIS N N 15 126.203 0.043 . 1 . . . A 56 HIS N . 19646 1 460 . 1 1 57 57 GLU H H 1 8.953 0.007 . 1 . . . A 57 GLU H . 19646 1 461 . 1 1 57 57 GLU HA H 1 3.563 0.004 . 1 . . . A 57 GLU HA . 19646 1 462 . 1 1 57 57 GLU HB2 H 1 1.915 0.002 . 2 . . . A 57 GLU HB2 . 19646 1 463 . 1 1 57 57 GLU HB3 H 1 1.893 0.005 . 2 . . . A 57 GLU HB3 . 19646 1 464 . 1 1 57 57 GLU HG2 H 1 1.714 0.006 . 2 . . . A 57 GLU HG2 . 19646 1 465 . 1 1 57 57 GLU HG3 H 1 1.587 0.004 . 2 . . . A 57 GLU HG3 . 19646 1 466 . 1 1 57 57 GLU CA C 13 57.676 0.025 . 1 . . . A 57 GLU CA . 19646 1 467 . 1 1 57 57 GLU CB C 13 26.921 0.032 . 1 . . . A 57 GLU CB . 19646 1 468 . 1 1 57 57 GLU CG C 13 35.712 0.072 . 1 . . . A 57 GLU CG . 19646 1 469 . 1 1 57 57 GLU N N 15 125.530 0.041 . 1 . . . A 57 GLU N . 19646 1 470 . 1 1 58 58 ASN H H 1 8.687 0.004 . 1 . . . A 58 ASN H . 19646 1 471 . 1 1 58 58 ASN HA H 1 4.407 0.002 . 1 . . . A 58 ASN HA . 19646 1 472 . 1 1 58 58 ASN HB2 H 1 2.986 0.003 . 2 . . . A 58 ASN HB2 . 19646 1 473 . 1 1 58 58 ASN HB3 H 1 2.866 0.004 . 2 . . . A 58 ASN HB3 . 19646 1 474 . 1 1 58 58 ASN HD21 H 1 7.569 0.004 . 1 . . . A 58 ASN HD21 . 19646 1 475 . 1 1 58 58 ASN HD22 H 1 6.904 0.004 . 1 . . . A 58 ASN HD22 . 19646 1 476 . 1 1 58 58 ASN CA C 13 53.973 0.013 . 1 . . . A 58 ASN CA . 19646 1 477 . 1 1 58 58 ASN CB C 13 38.074 0.034 . 1 . . . A 58 ASN CB . 19646 1 478 . 1 1 58 58 ASN N N 15 114.182 0.049 . 1 . . . A 58 ASN N . 19646 1 479 . 1 1 58 58 ASN ND2 N 15 113.597 0.014 . 1 . . . A 58 ASN ND2 . 19646 1 480 . 1 1 59 59 ARG H H 1 8.027 0.005 . 1 . . . A 59 ARG H . 19646 1 481 . 1 1 59 59 ARG HA H 1 4.750 0.006 . 1 . . . A 59 ARG HA . 19646 1 482 . 1 1 59 59 ARG HB2 H 1 1.893 0.002 . 2 . . . A 59 ARG HB2 . 19646 1 483 . 1 1 59 59 ARG HB3 H 1 1.832 0.004 . 2 . . . A 59 ARG HB3 . 19646 1 484 . 1 1 59 59 ARG HG2 H 1 1.750 0.003 . 2 . . . A 59 ARG HG2 . 19646 1 485 . 1 1 59 59 ARG HG3 H 1 1.572 0.006 . 2 . . . A 59 ARG HG3 . 19646 1 486 . 1 1 59 59 ARG HD2 H 1 3.190 0.004 . 2 . . . A 59 ARG HD2 . 19646 1 487 . 1 1 59 59 ARG HD3 H 1 3.192 0.000 . 2 . . . A 59 ARG HD3 . 19646 1 488 . 1 1 59 59 ARG CA C 13 54.554 0.000 . 1 . . . A 59 ARG CA . 19646 1 489 . 1 1 59 59 ARG CB C 13 33.324 0.014 . 1 . . . A 59 ARG CB . 19646 1 490 . 1 1 59 59 ARG CG C 13 26.545 0.040 . 1 . . . A 59 ARG CG . 19646 1 491 . 1 1 59 59 ARG CD C 13 43.533 0.069 . 1 . . . A 59 ARG CD . 19646 1 492 . 1 1 59 59 ARG N N 15 118.232 0.052 . 1 . . . A 59 ARG N . 19646 1 493 . 1 1 60 60 CYS H H 1 8.703 0.006 . 1 . . . A 60 CYS H . 19646 1 494 . 1 1 60 60 CYS HA H 1 5.477 0.009 . 1 . . . A 60 CYS HA . 19646 1 495 . 1 1 60 60 CYS HB2 H 1 2.878 0.006 . 2 . . . A 60 CYS HB2 . 19646 1 496 . 1 1 60 60 CYS HB3 H 1 2.728 0.007 . 2 . . . A 60 CYS HB3 . 19646 1 497 . 1 1 60 60 CYS CA C 13 53.980 0.044 . 1 . . . A 60 CYS CA . 19646 1 498 . 1 1 60 60 CYS CB C 13 40.976 0.030 . 1 . . . A 60 CYS CB . 19646 1 499 . 1 1 60 60 CYS N N 15 117.965 0.030 . 1 . . . A 60 CYS N . 19646 1 500 . 1 1 61 61 VAL H H 1 9.671 0.004 . 1 . . . A 61 VAL H . 19646 1 501 . 1 1 61 61 VAL HA H 1 4.625 0.004 . 1 . . . A 61 VAL HA . 19646 1 502 . 1 1 61 61 VAL HB H 1 2.025 0.004 . 1 . . . A 61 VAL HB . 19646 1 503 . 1 1 61 61 VAL HG11 H 1 0.885 0.004 . 2 . . . A 61 VAL HG11 . 19646 1 504 . 1 1 61 61 VAL HG12 H 1 0.885 0.004 . 2 . . . A 61 VAL HG12 . 19646 1 505 . 1 1 61 61 VAL HG13 H 1 0.885 0.004 . 2 . . . A 61 VAL HG13 . 19646 1 506 . 1 1 61 61 VAL HG21 H 1 0.691 0.004 . 2 . . . A 61 VAL HG21 . 19646 1 507 . 1 1 61 61 VAL HG22 H 1 0.691 0.004 . 2 . . . A 61 VAL HG22 . 19646 1 508 . 1 1 61 61 VAL HG23 H 1 0.691 0.004 . 2 . . . A 61 VAL HG23 . 19646 1 509 . 1 1 61 61 VAL CA C 13 58.996 0.012 . 1 . . . A 61 VAL CA . 19646 1 510 . 1 1 61 61 VAL CB C 13 36.362 0.040 . 1 . . . A 61 VAL CB . 19646 1 511 . 1 1 61 61 VAL CG1 C 13 21.682 0.043 . 2 . . . A 61 VAL CG1 . 19646 1 512 . 1 1 61 61 VAL CG2 C 13 19.875 0.020 . 2 . . . A 61 VAL CG2 . 19646 1 513 . 1 1 61 61 VAL N N 15 119.418 0.040 . 1 . . . A 61 VAL N . 19646 1 514 . 1 1 62 62 ALA H H 1 8.552 0.004 . 1 . . . A 62 ALA H . 19646 1 515 . 1 1 62 62 ALA HA H 1 4.356 0.006 . 1 . . . A 62 ALA HA . 19646 1 516 . 1 1 62 62 ALA HB1 H 1 1.388 0.004 . 1 . . . A 62 ALA HB1 . 19646 1 517 . 1 1 62 62 ALA HB2 H 1 1.388 0.004 . 1 . . . A 62 ALA HB2 . 19646 1 518 . 1 1 62 62 ALA HB3 H 1 1.388 0.004 . 1 . . . A 62 ALA HB3 . 19646 1 519 . 1 1 62 62 ALA CA C 13 52.418 0.027 . 1 . . . A 62 ALA CA . 19646 1 520 . 1 1 62 62 ALA CB C 13 18.618 0.033 . 1 . . . A 62 ALA CB . 19646 1 521 . 1 1 62 62 ALA N N 15 125.768 0.063 . 1 . . . A 62 ALA N . 19646 1 522 . 1 1 63 63 LEU H H 1 7.979 0.007 . 1 . . . A 63 LEU H . 19646 1 523 . 1 1 63 63 LEU HA H 1 3.782 0.004 . 1 . . . A 63 LEU HA . 19646 1 524 . 1 1 63 63 LEU HB2 H 1 1.410 0.004 . 2 . . . A 63 LEU HB2 . 19646 1 525 . 1 1 63 63 LEU HB3 H 1 1.135 0.004 . 2 . . . A 63 LEU HB3 . 19646 1 526 . 1 1 63 63 LEU HG H 1 1.123 0.004 . 1 . . . A 63 LEU HG . 19646 1 527 . 1 1 63 63 LEU HD11 H 1 0.182 0.005 . 2 . . . A 63 LEU HD11 . 19646 1 528 . 1 1 63 63 LEU HD12 H 1 0.182 0.005 . 2 . . . A 63 LEU HD12 . 19646 1 529 . 1 1 63 63 LEU HD13 H 1 0.182 0.005 . 2 . . . A 63 LEU HD13 . 19646 1 530 . 1 1 63 63 LEU HD21 H 1 0.310 0.005 . 2 . . . A 63 LEU HD21 . 19646 1 531 . 1 1 63 63 LEU HD22 H 1 0.310 0.005 . 2 . . . A 63 LEU HD22 . 19646 1 532 . 1 1 63 63 LEU HD23 H 1 0.310 0.005 . 2 . . . A 63 LEU HD23 . 19646 1 533 . 1 1 63 63 LEU CA C 13 58.182 0.053 . 1 . . . A 63 LEU CA . 19646 1 534 . 1 1 63 63 LEU CB C 13 42.411 0.033 . 1 . . . A 63 LEU CB . 19646 1 535 . 1 1 63 63 LEU CG C 13 26.685 0.057 . 1 . . . A 63 LEU CG . 19646 1 536 . 1 1 63 63 LEU CD1 C 13 22.890 0.024 . 2 . . . A 63 LEU CD1 . 19646 1 537 . 1 1 63 63 LEU CD2 C 13 25.021 0.023 . 2 . . . A 63 LEU CD2 . 19646 1 538 . 1 1 63 63 LEU N N 15 123.359 0.024 . 1 . . . A 63 LEU N . 19646 1 539 . 1 1 64 64 GLU H H 1 8.950 0.003 . 1 . . . A 64 GLU H . 19646 1 540 . 1 1 64 64 GLU HA H 1 4.025 0.006 . 1 . . . A 64 GLU HA . 19646 1 541 . 1 1 64 64 GLU HB2 H 1 2.018 0.006 . 2 . . . A 64 GLU HB2 . 19646 1 542 . 1 1 64 64 GLU HB3 H 1 2.008 0.000 . 2 . . . A 64 GLU HB3 . 19646 1 543 . 1 1 64 64 GLU HG2 H 1 2.165 0.004 . 2 . . . A 64 GLU HG2 . 19646 1 544 . 1 1 64 64 GLU HG3 H 1 2.167 0.000 . 2 . . . A 64 GLU HG3 . 19646 1 545 . 1 1 64 64 GLU CA C 13 58.502 0.054 . 1 . . . A 64 GLU CA . 19646 1 546 . 1 1 64 64 GLU CB C 13 28.267 0.062 . 1 . . . A 64 GLU CB . 19646 1 547 . 1 1 64 64 GLU CG C 13 36.068 0.070 . 1 . . . A 64 GLU CG . 19646 1 548 . 1 1 64 64 GLU N N 15 113.695 0.033 . 1 . . . A 64 GLU N . 19646 1 549 . 1 1 65 65 ARG H H 1 8.153 0.007 . 1 . . . A 65 ARG H . 19646 1 550 . 1 1 65 65 ARG HA H 1 4.245 0.006 . 1 . . . A 65 ARG HA . 19646 1 551 . 1 1 65 65 ARG HB2 H 1 2.060 0.006 . 2 . . . A 65 ARG HB2 . 19646 1 552 . 1 1 65 65 ARG HB3 H 1 1.835 0.006 . 2 . . . A 65 ARG HB3 . 19646 1 553 . 1 1 65 65 ARG HG2 H 1 1.741 0.002 . 2 . . . A 65 ARG HG2 . 19646 1 554 . 1 1 65 65 ARG HG3 H 1 1.528 0.004 . 2 . . . A 65 ARG HG3 . 19646 1 555 . 1 1 65 65 ARG HD2 H 1 3.174 0.005 . 2 . . . A 65 ARG HD2 . 19646 1 556 . 1 1 65 65 ARG HD3 H 1 3.171 0.004 . 2 . . . A 65 ARG HD3 . 19646 1 557 . 1 1 65 65 ARG CA C 13 54.554 0.021 . 1 . . . A 65 ARG CA . 19646 1 558 . 1 1 65 65 ARG CB C 13 29.158 0.055 . 1 . . . A 65 ARG CB . 19646 1 559 . 1 1 65 65 ARG CG C 13 26.950 0.025 . 1 . . . A 65 ARG CG . 19646 1 560 . 1 1 65 65 ARG CD C 13 42.526 0.030 . 1 . . . A 65 ARG CD . 19646 1 561 . 1 1 65 65 ARG N N 15 118.469 0.026 . 1 . . . A 65 ARG N . 19646 1 562 . 1 1 66 66 CYS H H 1 7.601 0.004 . 1 . . . A 66 CYS H . 19646 1 563 . 1 1 66 66 CYS HA H 1 4.224 0.006 . 1 . . . A 66 CYS HA . 19646 1 564 . 1 1 66 66 CYS HB2 H 1 3.019 0.005 . 2 . . . A 66 CYS HB2 . 19646 1 565 . 1 1 66 66 CYS HB3 H 1 2.744 0.006 . 2 . . . A 66 CYS HB3 . 19646 1 566 . 1 1 66 66 CYS CA C 13 55.125 0.044 . 1 . . . A 66 CYS CA . 19646 1 567 . 1 1 66 66 CYS CB C 13 37.198 0.046 . 1 . . . A 66 CYS CB . 19646 1 568 . 1 1 66 66 CYS N N 15 119.490 0.038 . 1 . . . A 66 CYS N . 19646 1 569 . 1 1 67 67 PRO HA H 1 4.437 0.005 . 1 . . . A 67 PRO HA . 19646 1 570 . 1 1 67 67 PRO HB2 H 1 1.970 0.004 . 2 . . . A 67 PRO HB2 . 19646 1 571 . 1 1 67 67 PRO HB3 H 1 1.496 0.005 . 2 . . . A 67 PRO HB3 . 19646 1 572 . 1 1 67 67 PRO HG2 H 1 1.682 0.005 . 2 . . . A 67 PRO HG2 . 19646 1 573 . 1 1 67 67 PRO HG3 H 1 1.426 0.007 . 2 . . . A 67 PRO HG3 . 19646 1 574 . 1 1 67 67 PRO HD2 H 1 3.226 0.005 . 2 . . . A 67 PRO HD2 . 19646 1 575 . 1 1 67 67 PRO HD3 H 1 3.170 0.005 . 2 . . . A 67 PRO HD3 . 19646 1 576 . 1 1 67 67 PRO CA C 13 62.458 0.013 . 1 . . . A 67 PRO CA . 19646 1 577 . 1 1 67 67 PRO CB C 13 33.668 0.037 . 1 . . . A 67 PRO CB . 19646 1 578 . 1 1 67 67 PRO CG C 13 26.386 0.045 . 1 . . . A 67 PRO CG . 19646 1 579 . 1 1 67 67 PRO CD C 13 49.726 0.029 . 1 . . . A 67 PRO CD . 19646 1 580 . 1 1 68 68 CYS H H 1 8.424 0.005 . 1 . . . A 68 CYS H . 19646 1 581 . 1 1 68 68 CYS HA H 1 4.328 0.002 . 1 . . . A 68 CYS HA . 19646 1 582 . 1 1 68 68 CYS HB2 H 1 1.955 0.004 . 2 . . . A 68 CYS HB2 . 19646 1 583 . 1 1 68 68 CYS HB3 H 1 1.536 0.005 . 2 . . . A 68 CYS HB3 . 19646 1 584 . 1 1 68 68 CYS CA C 13 56.386 0.015 . 1 . . . A 68 CYS CA . 19646 1 585 . 1 1 68 68 CYS CB C 13 42.435 0.042 . 1 . . . A 68 CYS CB . 19646 1 586 . 1 1 68 68 CYS N N 15 112.961 0.037 . 1 . . . A 68 CYS N . 19646 1 587 . 1 1 69 69 PHE H H 1 8.799 0.004 . 1 . . . A 69 PHE H . 19646 1 588 . 1 1 69 69 PHE HA H 1 5.831 0.003 . 1 . . . A 69 PHE HA . 19646 1 589 . 1 1 69 69 PHE HB2 H 1 3.080 0.002 . 2 . . . A 69 PHE HB2 . 19646 1 590 . 1 1 69 69 PHE HB3 H 1 2.956 0.003 . 2 . . . A 69 PHE HB3 . 19646 1 591 . 1 1 69 69 PHE HD1 H 1 7.109 0.005 . 3 . . . A 69 PHE HD1 . 19646 1 592 . 1 1 69 69 PHE HD2 H 1 7.109 0.005 . 3 . . . A 69 PHE HD2 . 19646 1 593 . 1 1 69 69 PHE HE1 H 1 7.239 0.004 . 3 . . . A 69 PHE HE1 . 19646 1 594 . 1 1 69 69 PHE HE2 H 1 7.239 0.004 . 3 . . . A 69 PHE HE2 . 19646 1 595 . 1 1 69 69 PHE HZ H 1 7.131 0.004 . 1 . . . A 69 PHE HZ . 19646 1 596 . 1 1 69 69 PHE CA C 13 57.124 0.022 . 1 . . . A 69 PHE CA . 19646 1 597 . 1 1 69 69 PHE CB C 13 42.551 0.019 . 1 . . . A 69 PHE CB . 19646 1 598 . 1 1 69 69 PHE CD1 C 13 132.054 0.043 . 3 . . . A 69 PHE CD1 . 19646 1 599 . 1 1 69 69 PHE CD2 C 13 132.054 0.043 . 3 . . . A 69 PHE CD2 . 19646 1 600 . 1 1 69 69 PHE CE1 C 13 131.598 0.355 . 3 . . . A 69 PHE CE1 . 19646 1 601 . 1 1 69 69 PHE CE2 C 13 131.598 0.355 . 3 . . . A 69 PHE CE2 . 19646 1 602 . 1 1 69 69 PHE CZ C 13 129.002 0.062 . 1 . . . A 69 PHE CZ . 19646 1 603 . 1 1 69 69 PHE N N 15 118.787 0.020 . 1 . . . A 69 PHE N . 19646 1 604 . 1 1 70 70 HIS H H 1 9.441 0.005 . 1 . . . A 70 HIS H . 19646 1 605 . 1 1 70 70 HIS HA H 1 4.968 0.004 . 1 . . . A 70 HIS HA . 19646 1 606 . 1 1 70 70 HIS HB2 H 1 2.988 0.006 . 2 . . . A 70 HIS HB2 . 19646 1 607 . 1 1 70 70 HIS HB3 H 1 2.868 0.004 . 2 . . . A 70 HIS HB3 . 19646 1 608 . 1 1 70 70 HIS HD2 H 1 6.682 0.008 . 1 . . . A 70 HIS HD2 . 19646 1 609 . 1 1 70 70 HIS HE1 H 1 7.482 0.003 . 1 . . . A 70 HIS HE1 . 19646 1 610 . 1 1 70 70 HIS CA C 13 57.755 0.053 . 1 . . . A 70 HIS CA . 19646 1 611 . 1 1 70 70 HIS CB C 13 33.828 0.048 . 1 . . . A 70 HIS CB . 19646 1 612 . 1 1 70 70 HIS CD2 C 13 118.872 0.048 . 1 . . . A 70 HIS CD2 . 19646 1 613 . 1 1 70 70 HIS CE1 C 13 138.664 0.036 . 1 . . . A 70 HIS CE1 . 19646 1 614 . 1 1 70 70 HIS N N 15 123.887 0.030 . 1 . . . A 70 HIS N . 19646 1 615 . 1 1 71 71 GLN HA H 1 3.733 0.001 . 1 . . . A 71 GLN HA . 19646 1 616 . 1 1 71 71 GLN HB2 H 1 2.087 0.002 . 2 . . . A 71 GLN HB2 . 19646 1 617 . 1 1 71 71 GLN HB3 H 1 1.650 0.005 . 2 . . . A 71 GLN HB3 . 19646 1 618 . 1 1 71 71 GLN HG2 H 1 1.746 0.003 . 2 . . . A 71 GLN HG2 . 19646 1 619 . 1 1 71 71 GLN HG3 H 1 1.334 0.005 . 2 . . . A 71 GLN HG3 . 19646 1 620 . 1 1 71 71 GLN HE21 H 1 7.273 0.005 . 1 . . . A 71 GLN HE21 . 19646 1 621 . 1 1 71 71 GLN HE22 H 1 6.785 0.001 . 1 . . . A 71 GLN HE22 . 19646 1 622 . 1 1 71 71 GLN CA C 13 56.512 0.056 . 1 . . . A 71 GLN CA . 19646 1 623 . 1 1 71 71 GLN CB C 13 26.732 0.028 . 1 . . . A 71 GLN CB . 19646 1 624 . 1 1 71 71 GLN CG C 13 33.404 0.048 . 1 . . . A 71 GLN CG . 19646 1 625 . 1 1 71 71 GLN NE2 N 15 111.289 0.035 . 1 . . . A 71 GLN NE2 . 19646 1 626 . 1 1 72 72 GLY H H 1 8.665 0.005 . 1 . . . A 72 GLY H . 19646 1 627 . 1 1 72 72 GLY HA2 H 1 4.206 0.005 . 2 . . . A 72 GLY HA2 . 19646 1 628 . 1 1 72 72 GLY HA3 H 1 3.693 0.009 . 2 . . . A 72 GLY HA3 . 19646 1 629 . 1 1 72 72 GLY CA C 13 45.486 0.029 . 1 . . . A 72 GLY CA . 19646 1 630 . 1 1 72 72 GLY N N 15 104.219 0.043 . 1 . . . A 72 GLY N . 19646 1 631 . 1 1 73 73 LYS H H 1 7.951 0.003 . 1 . . . A 73 LYS H . 19646 1 632 . 1 1 73 73 LYS HA H 1 4.670 0.005 . 1 . . . A 73 LYS HA . 19646 1 633 . 1 1 73 73 LYS HB2 H 1 1.901 0.003 . 2 . . . A 73 LYS HB2 . 19646 1 634 . 1 1 73 73 LYS HB3 H 1 1.832 0.002 . 2 . . . A 73 LYS HB3 . 19646 1 635 . 1 1 73 73 LYS HG2 H 1 1.430 0.003 . 2 . . . A 73 LYS HG2 . 19646 1 636 . 1 1 73 73 LYS HG3 H 1 1.208 0.003 . 2 . . . A 73 LYS HG3 . 19646 1 637 . 1 1 73 73 LYS HD2 H 1 1.677 0.004 . 2 . . . A 73 LYS HD2 . 19646 1 638 . 1 1 73 73 LYS HD3 H 1 1.680 0.001 . 2 . . . A 73 LYS HD3 . 19646 1 639 . 1 1 73 73 LYS HE2 H 1 2.918 0.004 . 2 . . . A 73 LYS HE2 . 19646 1 640 . 1 1 73 73 LYS HE3 H 1 2.917 0.000 . 2 . . . A 73 LYS HE3 . 19646 1 641 . 1 1 73 73 LYS CA C 13 54.931 0.024 . 1 . . . A 73 LYS CA . 19646 1 642 . 1 1 73 73 LYS CB C 13 35.124 0.028 . 1 . . . A 73 LYS CB . 19646 1 643 . 1 1 73 73 LYS CG C 13 25.305 0.028 . 1 . . . A 73 LYS CG . 19646 1 644 . 1 1 73 73 LYS CD C 13 28.949 0.041 . 1 . . . A 73 LYS CD . 19646 1 645 . 1 1 73 73 LYS CE C 13 42.349 0.040 . 1 . . . A 73 LYS CE . 19646 1 646 . 1 1 73 73 LYS N N 15 122.208 0.024 . 1 . . . A 73 LYS N . 19646 1 647 . 1 1 74 74 GLU H H 1 8.216 0.005 . 1 . . . A 74 GLU H . 19646 1 648 . 1 1 74 74 GLU HA H 1 4.322 0.006 . 1 . . . A 74 GLU HA . 19646 1 649 . 1 1 74 74 GLU HB2 H 1 1.828 0.006 . 2 . . . A 74 GLU HB2 . 19646 1 650 . 1 1 74 74 GLU HB3 H 1 1.704 0.003 . 2 . . . A 74 GLU HB3 . 19646 1 651 . 1 1 74 74 GLU HG2 H 1 1.942 0.003 . 2 . . . A 74 GLU HG2 . 19646 1 652 . 1 1 74 74 GLU HG3 H 1 1.841 0.004 . 2 . . . A 74 GLU HG3 . 19646 1 653 . 1 1 74 74 GLU CA C 13 55.614 0.052 . 1 . . . A 74 GLU CA . 19646 1 654 . 1 1 74 74 GLU CB C 13 31.797 0.042 . 1 . . . A 74 GLU CB . 19646 1 655 . 1 1 74 74 GLU CG C 13 36.920 0.038 . 1 . . . A 74 GLU CG . 19646 1 656 . 1 1 74 74 GLU N N 15 122.599 0.022 . 1 . . . A 74 GLU N . 19646 1 657 . 1 1 75 75 TYR H H 1 8.937 0.005 . 1 . . . A 75 TYR H . 19646 1 658 . 1 1 75 75 TYR HA H 1 4.431 0.003 . 1 . . . A 75 TYR HA . 19646 1 659 . 1 1 75 75 TYR HB2 H 1 2.809 0.007 . 2 . . . A 75 TYR HB2 . 19646 1 660 . 1 1 75 75 TYR HB3 H 1 2.502 0.009 . 2 . . . A 75 TYR HB3 . 19646 1 661 . 1 1 75 75 TYR HD1 H 1 7.227 0.005 . 3 . . . A 75 TYR HD1 . 19646 1 662 . 1 1 75 75 TYR HD2 H 1 7.227 0.005 . 3 . . . A 75 TYR HD2 . 19646 1 663 . 1 1 75 75 TYR HE1 H 1 6.990 0.004 . 3 . . . A 75 TYR HE1 . 19646 1 664 . 1 1 75 75 TYR HE2 H 1 6.990 0.004 . 3 . . . A 75 TYR HE2 . 19646 1 665 . 1 1 75 75 TYR CA C 13 57.231 0.035 . 1 . . . A 75 TYR CA . 19646 1 666 . 1 1 75 75 TYR CB C 13 41.874 0.046 . 1 . . . A 75 TYR CB . 19646 1 667 . 1 1 75 75 TYR CD1 C 13 133.347 0.081 . 3 . . . A 75 TYR CD1 . 19646 1 668 . 1 1 75 75 TYR CD2 C 13 133.347 0.081 . 3 . . . A 75 TYR CD2 . 19646 1 669 . 1 1 75 75 TYR CE1 C 13 118.515 0.074 . 3 . . . A 75 TYR CE1 . 19646 1 670 . 1 1 75 75 TYR CE2 C 13 118.515 0.074 . 3 . . . A 75 TYR CE2 . 19646 1 671 . 1 1 75 75 TYR N N 15 124.173 0.026 . 1 . . . A 75 TYR N . 19646 1 672 . 1 1 76 76 ALA H H 1 8.676 0.002 . 1 . . . A 76 ALA H . 19646 1 673 . 1 1 76 76 ALA HA H 1 4.357 0.003 . 1 . . . A 76 ALA HA . 19646 1 674 . 1 1 76 76 ALA HB1 H 1 1.295 0.003 . 1 . . . A 76 ALA HB1 . 19646 1 675 . 1 1 76 76 ALA HB2 H 1 1.295 0.003 . 1 . . . A 76 ALA HB2 . 19646 1 676 . 1 1 76 76 ALA HB3 H 1 1.295 0.003 . 1 . . . A 76 ALA HB3 . 19646 1 677 . 1 1 76 76 ALA CA C 13 49.933 0.040 . 1 . . . A 76 ALA CA . 19646 1 678 . 1 1 76 76 ALA CB C 13 17.807 0.026 . 1 . . . A 76 ALA CB . 19646 1 679 . 1 1 76 76 ALA N N 15 124.606 0.029 . 1 . . . A 76 ALA N . 19646 1 680 . 1 1 77 77 PRO HA H 1 3.854 0.003 . 1 . . . A 77 PRO HA . 19646 1 681 . 1 1 77 77 PRO HB2 H 1 2.260 0.004 . 2 . . . A 77 PRO HB2 . 19646 1 682 . 1 1 77 77 PRO HB3 H 1 1.774 0.003 . 2 . . . A 77 PRO HB3 . 19646 1 683 . 1 1 77 77 PRO HG2 H 1 1.979 0.006 . 2 . . . A 77 PRO HG2 . 19646 1 684 . 1 1 77 77 PRO HG3 H 1 1.937 0.002 . 2 . . . A 77 PRO HG3 . 19646 1 685 . 1 1 77 77 PRO HD2 H 1 3.478 0.003 . 2 . . . A 77 PRO HD2 . 19646 1 686 . 1 1 77 77 PRO HD3 H 1 3.389 0.003 . 2 . . . A 77 PRO HD3 . 19646 1 687 . 1 1 77 77 PRO CA C 13 63.884 0.028 . 1 . . . A 77 PRO CA . 19646 1 688 . 1 1 77 77 PRO CB C 13 31.167 0.038 . 1 . . . A 77 PRO CB . 19646 1 689 . 1 1 77 77 PRO CG C 13 28.326 0.046 . 1 . . . A 77 PRO CG . 19646 1 690 . 1 1 77 77 PRO CD C 13 50.032 0.028 . 1 . . . A 77 PRO CD . 19646 1 691 . 1 1 78 78 GLY H H 1 9.487 0.003 . 1 . . . A 78 GLY H . 19646 1 692 . 1 1 78 78 GLY HA2 H 1 4.369 0.007 . 2 . . . A 78 GLY HA2 . 19646 1 693 . 1 1 78 78 GLY HA3 H 1 3.407 0.006 . 2 . . . A 78 GLY HA3 . 19646 1 694 . 1 1 78 78 GLY CA C 13 44.966 0.041 . 1 . . . A 78 GLY CA . 19646 1 695 . 1 1 78 78 GLY N N 15 113.317 0.032 . 1 . . . A 78 GLY N . 19646 1 696 . 1 1 79 79 GLU H H 1 8.254 0.004 . 1 . . . A 79 GLU H . 19646 1 697 . 1 1 79 79 GLU HA H 1 4.486 0.004 . 1 . . . A 79 GLU HA . 19646 1 698 . 1 1 79 79 GLU HB2 H 1 2.553 0.005 . 2 . . . A 79 GLU HB2 . 19646 1 699 . 1 1 79 79 GLU HB3 H 1 2.416 0.003 . 2 . . . A 79 GLU HB3 . 19646 1 700 . 1 1 79 79 GLU HG2 H 1 2.562 0.004 . 2 . . . A 79 GLU HG2 . 19646 1 701 . 1 1 79 79 GLU HG3 H 1 2.337 0.002 . 2 . . . A 79 GLU HG3 . 19646 1 702 . 1 1 79 79 GLU CA C 13 57.610 0.053 . 1 . . . A 79 GLU CA . 19646 1 703 . 1 1 79 79 GLU CB C 13 31.261 0.047 . 1 . . . A 79 GLU CB . 19646 1 704 . 1 1 79 79 GLU CG C 13 38.679 0.033 . 1 . . . A 79 GLU CG . 19646 1 705 . 1 1 79 79 GLU N N 15 120.804 0.029 . 1 . . . A 79 GLU N . 19646 1 706 . 1 1 80 80 THR H H 1 8.132 0.004 . 1 . . . A 80 THR H . 19646 1 707 . 1 1 80 80 THR HA H 1 5.752 0.003 . 1 . . . A 80 THR HA . 19646 1 708 . 1 1 80 80 THR HB H 1 3.957 0.003 . 1 . . . A 80 THR HB . 19646 1 709 . 1 1 80 80 THR HG21 H 1 1.096 0.001 . 1 . . . A 80 THR HG21 . 19646 1 710 . 1 1 80 80 THR HG22 H 1 1.096 0.001 . 1 . . . A 80 THR HG22 . 19646 1 711 . 1 1 80 80 THR HG23 H 1 1.096 0.001 . 1 . . . A 80 THR HG23 . 19646 1 712 . 1 1 80 80 THR CA C 13 59.984 0.019 . 1 . . . A 80 THR CA . 19646 1 713 . 1 1 80 80 THR CB C 13 72.217 0.023 . 1 . . . A 80 THR CB . 19646 1 714 . 1 1 80 80 THR CG2 C 13 21.464 0.051 . 1 . . . A 80 THR CG2 . 19646 1 715 . 1 1 80 80 THR N N 15 110.916 0.049 . 1 . . . A 80 THR N . 19646 1 716 . 1 1 81 81 VAL H H 1 8.459 0.004 . 1 . . . A 81 VAL H . 19646 1 717 . 1 1 81 81 VAL HA H 1 4.204 0.002 . 1 . . . A 81 VAL HA . 19646 1 718 . 1 1 81 81 VAL HB H 1 1.081 0.004 . 1 . . . A 81 VAL HB . 19646 1 719 . 1 1 81 81 VAL HG11 H 1 -0.411 0.005 . 2 . . . A 81 VAL HG11 . 19646 1 720 . 1 1 81 81 VAL HG12 H 1 -0.411 0.005 . 2 . . . A 81 VAL HG12 . 19646 1 721 . 1 1 81 81 VAL HG13 H 1 -0.411 0.005 . 2 . . . A 81 VAL HG13 . 19646 1 722 . 1 1 81 81 VAL HG21 H 1 -0.446 0.006 . 2 . . . A 81 VAL HG21 . 19646 1 723 . 1 1 81 81 VAL HG22 H 1 -0.446 0.006 . 2 . . . A 81 VAL HG22 . 19646 1 724 . 1 1 81 81 VAL HG23 H 1 -0.446 0.006 . 2 . . . A 81 VAL HG23 . 19646 1 725 . 1 1 81 81 VAL CA C 13 59.688 0.031 . 1 . . . A 81 VAL CA . 19646 1 726 . 1 1 81 81 VAL CB C 13 35.482 0.033 . 1 . . . A 81 VAL CB . 19646 1 727 . 1 1 81 81 VAL CG1 C 13 20.212 0.024 . 2 . . . A 81 VAL CG1 . 19646 1 728 . 1 1 81 81 VAL CG2 C 13 18.397 0.021 . 2 . . . A 81 VAL CG2 . 19646 1 729 . 1 1 81 81 VAL N N 15 117.320 0.034 . 1 . . . A 81 VAL N . 19646 1 730 . 1 1 82 82 LYS H H 1 8.017 0.006 . 1 . . . A 82 LYS H . 19646 1 731 . 1 1 82 82 LYS HA H 1 4.811 0.004 . 1 . . . A 82 LYS HA . 19646 1 732 . 1 1 82 82 LYS HB2 H 1 1.667 0.004 . 2 . . . A 82 LYS HB2 . 19646 1 733 . 1 1 82 82 LYS HB3 H 1 1.509 0.003 . 2 . . . A 82 LYS HB3 . 19646 1 734 . 1 1 82 82 LYS HG2 H 1 1.249 0.007 . 2 . . . A 82 LYS HG2 . 19646 1 735 . 1 1 82 82 LYS HG3 H 1 1.221 0.002 . 2 . . . A 82 LYS HG3 . 19646 1 736 . 1 1 82 82 LYS HD2 H 1 1.531 0.005 . 2 . . . A 82 LYS HD2 . 19646 1 737 . 1 1 82 82 LYS HD3 H 1 1.530 0.001 . 2 . . . A 82 LYS HD3 . 19646 1 738 . 1 1 82 82 LYS HE2 H 1 2.868 0.001 . 2 . . . A 82 LYS HE2 . 19646 1 739 . 1 1 82 82 LYS HE3 H 1 2.808 0.002 . 2 . . . A 82 LYS HE3 . 19646 1 740 . 1 1 82 82 LYS CA C 13 54.855 0.057 . 1 . . . A 82 LYS CA . 19646 1 741 . 1 1 82 82 LYS CB C 13 33.297 0.031 . 1 . . . A 82 LYS CB . 19646 1 742 . 1 1 82 82 LYS CG C 13 24.529 0.033 . 1 . . . A 82 LYS CG . 19646 1 743 . 1 1 82 82 LYS CD C 13 29.130 0.025 . 1 . . . A 82 LYS CD . 19646 1 744 . 1 1 82 82 LYS CE C 13 41.898 0.030 . 1 . . . A 82 LYS CE . 19646 1 745 . 1 1 82 82 LYS N N 15 123.511 0.037 . 1 . . . A 82 LYS N . 19646 1 746 . 1 1 83 83 ILE H H 1 8.039 0.004 . 1 . . . A 83 ILE H . 19646 1 747 . 1 1 83 83 ILE HA H 1 3.995 0.001 . 1 . . . A 83 ILE HA . 19646 1 748 . 1 1 83 83 ILE HB H 1 1.478 0.002 . 1 . . . A 83 ILE HB . 19646 1 749 . 1 1 83 83 ILE HG12 H 1 0.839 0.005 . 2 . . . A 83 ILE HG12 . 19646 1 750 . 1 1 83 83 ILE HG13 H 1 0.246 0.003 . 2 . . . A 83 ILE HG13 . 19646 1 751 . 1 1 83 83 ILE HG21 H 1 0.703 0.003 . 1 . . . A 83 ILE HG21 . 19646 1 752 . 1 1 83 83 ILE HG22 H 1 0.703 0.003 . 1 . . . A 83 ILE HG22 . 19646 1 753 . 1 1 83 83 ILE HG23 H 1 0.703 0.003 . 1 . . . A 83 ILE HG23 . 19646 1 754 . 1 1 83 83 ILE HD11 H 1 0.076 0.003 . 1 . . . A 83 ILE HD11 . 19646 1 755 . 1 1 83 83 ILE HD12 H 1 0.076 0.003 . 1 . . . A 83 ILE HD12 . 19646 1 756 . 1 1 83 83 ILE HD13 H 1 0.076 0.003 . 1 . . . A 83 ILE HD13 . 19646 1 757 . 1 1 83 83 ILE CA C 13 60.858 0.012 . 1 . . . A 83 ILE CA . 19646 1 758 . 1 1 83 83 ILE CB C 13 38.347 0.022 . 1 . . . A 83 ILE CB . 19646 1 759 . 1 1 83 83 ILE CG1 C 13 26.765 0.030 . 1 . . . A 83 ILE CG1 . 19646 1 760 . 1 1 83 83 ILE CG2 C 13 16.839 0.028 . 1 . . . A 83 ILE CG2 . 19646 1 761 . 1 1 83 83 ILE CD1 C 13 12.200 0.027 . 1 . . . A 83 ILE CD1 . 19646 1 762 . 1 1 83 83 ILE N N 15 125.653 0.019 . 1 . . . A 83 ILE N . 19646 1 763 . 1 1 84 84 GLY HA2 H 1 3.984 0.003 . 2 . . . A 84 GLY HA2 . 19646 1 764 . 1 1 84 84 GLY HA3 H 1 3.662 0.006 . 2 . . . A 84 GLY HA3 . 19646 1 765 . 1 1 84 84 GLY CA C 13 47.357 0.043 . 1 . . . A 84 GLY CA . 19646 1 766 . 1 1 85 85 CYS H H 1 8.522 0.004 . 1 . . . A 85 CYS H . 19646 1 767 . 1 1 85 85 CYS HA H 1 4.929 0.003 . 1 . . . A 85 CYS HA . 19646 1 768 . 1 1 85 85 CYS HB2 H 1 3.191 0.004 . 2 . . . A 85 CYS HB2 . 19646 1 769 . 1 1 85 85 CYS HB3 H 1 3.189 0.003 . 2 . . . A 85 CYS HB3 . 19646 1 770 . 1 1 85 85 CYS CA C 13 58.558 0.053 . 1 . . . A 85 CYS CA . 19646 1 771 . 1 1 85 85 CYS CB C 13 37.971 0.026 . 1 . . . A 85 CYS CB . 19646 1 772 . 1 1 85 85 CYS N N 15 122.743 0.032 . 1 . . . A 85 CYS N . 19646 1 773 . 1 1 86 86 ASN H H 1 8.165 0.002 . 1 . . . A 86 ASN H . 19646 1 774 . 1 1 86 86 ASN HA H 1 4.923 0.004 . 1 . . . A 86 ASN HA . 19646 1 775 . 1 1 86 86 ASN HB2 H 1 2.724 0.005 . 2 . . . A 86 ASN HB2 . 19646 1 776 . 1 1 86 86 ASN HB3 H 1 2.451 0.007 . 2 . . . A 86 ASN HB3 . 19646 1 777 . 1 1 86 86 ASN HD21 H 1 8.262 0.009 . 1 . . . A 86 ASN HD21 . 19646 1 778 . 1 1 86 86 ASN HD22 H 1 7.901 0.003 . 1 . . . A 86 ASN HD22 . 19646 1 779 . 1 1 86 86 ASN CA C 13 53.858 0.031 . 1 . . . A 86 ASN CA . 19646 1 780 . 1 1 86 86 ASN CB C 13 41.629 0.060 . 1 . . . A 86 ASN CB . 19646 1 781 . 1 1 86 86 ASN N N 15 121.768 0.035 . 1 . . . A 86 ASN N . 19646 1 782 . 1 1 86 86 ASN ND2 N 15 118.942 0.125 . 1 . . . A 86 ASN ND2 . 19646 1 783 . 1 1 87 87 THR H H 1 8.250 0.009 . 1 . . . A 87 THR H . 19646 1 784 . 1 1 87 87 THR HA H 1 4.613 0.006 . 1 . . . A 87 THR HA . 19646 1 785 . 1 1 87 87 THR HB H 1 3.936 0.006 . 1 . . . A 87 THR HB . 19646 1 786 . 1 1 87 87 THR HG21 H 1 1.094 0.004 . 1 . . . A 87 THR HG21 . 19646 1 787 . 1 1 87 87 THR HG22 H 1 1.094 0.004 . 1 . . . A 87 THR HG22 . 19646 1 788 . 1 1 87 87 THR HG23 H 1 1.094 0.004 . 1 . . . A 87 THR HG23 . 19646 1 789 . 1 1 87 87 THR CA C 13 62.341 0.034 . 1 . . . A 87 THR CA . 19646 1 790 . 1 1 87 87 THR CB C 13 70.460 0.034 . 1 . . . A 87 THR CB . 19646 1 791 . 1 1 87 87 THR CG2 C 13 21.606 0.062 . 1 . . . A 87 THR CG2 . 19646 1 792 . 1 1 87 87 THR N N 15 115.576 0.029 . 1 . . . A 87 THR N . 19646 1 793 . 1 1 88 88 CYS H H 1 9.054 0.006 . 1 . . . A 88 CYS H . 19646 1 794 . 1 1 88 88 CYS HA H 1 5.544 0.005 . 1 . . . A 88 CYS HA . 19646 1 795 . 1 1 88 88 CYS HB2 H 1 2.732 0.005 . 2 . . . A 88 CYS HB2 . 19646 1 796 . 1 1 88 88 CYS HB3 H 1 2.595 0.007 . 2 . . . A 88 CYS HB3 . 19646 1 797 . 1 1 88 88 CYS CA C 13 54.867 0.021 . 1 . . . A 88 CYS CA . 19646 1 798 . 1 1 88 88 CYS CB C 13 50.459 0.022 . 1 . . . A 88 CYS CB . 19646 1 799 . 1 1 88 88 CYS N N 15 124.212 0.015 . 1 . . . A 88 CYS N . 19646 1 800 . 1 1 89 89 VAL H H 1 8.888 0.004 . 1 . . . A 89 VAL H . 19646 1 801 . 1 1 89 89 VAL HA H 1 5.046 0.004 . 1 . . . A 89 VAL HA . 19646 1 802 . 1 1 89 89 VAL HB H 1 1.971 0.004 . 1 . . . A 89 VAL HB . 19646 1 803 . 1 1 89 89 VAL HG11 H 1 0.940 0.003 . 2 . . . A 89 VAL HG11 . 19646 1 804 . 1 1 89 89 VAL HG12 H 1 0.940 0.003 . 2 . . . A 89 VAL HG12 . 19646 1 805 . 1 1 89 89 VAL HG13 H 1 0.940 0.003 . 2 . . . A 89 VAL HG13 . 19646 1 806 . 1 1 89 89 VAL HG21 H 1 0.923 0.004 . 2 . . . A 89 VAL HG21 . 19646 1 807 . 1 1 89 89 VAL HG22 H 1 0.923 0.004 . 2 . . . A 89 VAL HG22 . 19646 1 808 . 1 1 89 89 VAL HG23 H 1 0.923 0.004 . 2 . . . A 89 VAL HG23 . 19646 1 809 . 1 1 89 89 VAL CA C 13 59.590 0.046 . 1 . . . A 89 VAL CA . 19646 1 810 . 1 1 89 89 VAL CB C 13 35.195 0.039 . 1 . . . A 89 VAL CB . 19646 1 811 . 1 1 89 89 VAL CG1 C 13 20.202 0.030 . 2 . . . A 89 VAL CG1 . 19646 1 812 . 1 1 89 89 VAL CG2 C 13 21.444 0.036 . 2 . . . A 89 VAL CG2 . 19646 1 813 . 1 1 89 89 VAL N N 15 122.162 0.021 . 1 . . . A 89 VAL N . 19646 1 814 . 1 1 90 90 CYS H H 1 8.382 0.004 . 1 . . . A 90 CYS H . 19646 1 815 . 1 1 90 90 CYS HA H 1 4.170 0.005 . 1 . . . A 90 CYS HA . 19646 1 816 . 1 1 90 90 CYS HB2 H 1 2.585 0.007 . 2 . . . A 90 CYS HB2 . 19646 1 817 . 1 1 90 90 CYS HB3 H 1 1.798 0.005 . 2 . . . A 90 CYS HB3 . 19646 1 818 . 1 1 90 90 CYS CA C 13 54.727 0.036 . 1 . . . A 90 CYS CA . 19646 1 819 . 1 1 90 90 CYS CB C 13 36.915 0.047 . 1 . . . A 90 CYS CB . 19646 1 820 . 1 1 90 90 CYS N N 15 128.312 0.024 . 1 . . . A 90 CYS N . 19646 1 821 . 1 1 91 91 ARG H H 1 9.051 0.005 . 1 . . . A 91 ARG H . 19646 1 822 . 1 1 91 91 ARG HA H 1 4.309 0.004 . 1 . . . A 91 ARG HA . 19646 1 823 . 1 1 91 91 ARG HB2 H 1 1.654 0.007 . 2 . . . A 91 ARG HB2 . 19646 1 824 . 1 1 91 91 ARG HB3 H 1 1.650 0.000 . 2 . . . A 91 ARG HB3 . 19646 1 825 . 1 1 91 91 ARG HG2 H 1 1.538 0.004 . 2 . . . A 91 ARG HG2 . 19646 1 826 . 1 1 91 91 ARG HG3 H 1 1.470 0.003 . 2 . . . A 91 ARG HG3 . 19646 1 827 . 1 1 91 91 ARG HD2 H 1 3.170 0.004 . 2 . . . A 91 ARG HD2 . 19646 1 828 . 1 1 91 91 ARG HD3 H 1 3.115 0.005 . 2 . . . A 91 ARG HD3 . 19646 1 829 . 1 1 91 91 ARG CA C 13 56.304 0.044 . 1 . . . A 91 ARG CA . 19646 1 830 . 1 1 91 91 ARG CB C 13 32.883 0.037 . 1 . . . A 91 ARG CB . 19646 1 831 . 1 1 91 91 ARG CG C 13 27.026 0.013 . 1 . . . A 91 ARG CG . 19646 1 832 . 1 1 91 91 ARG CD C 13 43.304 0.032 . 1 . . . A 91 ARG CD . 19646 1 833 . 1 1 91 91 ARG N N 15 132.067 0.024 . 1 . . . A 91 ARG N . 19646 1 834 . 1 1 92 92 ASP H H 1 9.328 0.004 . 1 . . . A 92 ASP H . 19646 1 835 . 1 1 92 92 ASP HA H 1 4.204 0.004 . 1 . . . A 92 ASP HA . 19646 1 836 . 1 1 92 92 ASP HB2 H 1 2.732 0.004 . 2 . . . A 92 ASP HB2 . 19646 1 837 . 1 1 92 92 ASP HB3 H 1 2.565 0.005 . 2 . . . A 92 ASP HB3 . 19646 1 838 . 1 1 92 92 ASP CA C 13 55.745 0.049 . 1 . . . A 92 ASP CA . 19646 1 839 . 1 1 92 92 ASP CB C 13 39.142 0.051 . 1 . . . A 92 ASP CB . 19646 1 840 . 1 1 92 92 ASP N N 15 128.437 0.080 . 1 . . . A 92 ASP N . 19646 1 841 . 1 1 93 93 ARG H H 1 8.607 0.005 . 1 . . . A 93 ARG H . 19646 1 842 . 1 1 93 93 ARG HA H 1 3.274 0.004 . 1 . . . A 93 ARG HA . 19646 1 843 . 1 1 93 93 ARG HB2 H 1 2.065 0.005 . 2 . . . A 93 ARG HB2 . 19646 1 844 . 1 1 93 93 ARG HB3 H 1 1.915 0.003 . 2 . . . A 93 ARG HB3 . 19646 1 845 . 1 1 93 93 ARG HG2 H 1 1.443 0.005 . 2 . . . A 93 ARG HG2 . 19646 1 846 . 1 1 93 93 ARG HG3 H 1 1.385 0.003 . 2 . . . A 93 ARG HG3 . 19646 1 847 . 1 1 93 93 ARG HD2 H 1 3.146 0.005 . 2 . . . A 93 ARG HD2 . 19646 1 848 . 1 1 93 93 ARG HD3 H 1 2.981 0.004 . 2 . . . A 93 ARG HD3 . 19646 1 849 . 1 1 93 93 ARG CA C 13 58.401 0.039 . 1 . . . A 93 ARG CA . 19646 1 850 . 1 1 93 93 ARG CB C 13 28.561 0.028 . 1 . . . A 93 ARG CB . 19646 1 851 . 1 1 93 93 ARG CG C 13 28.766 0.051 . 1 . . . A 93 ARG CG . 19646 1 852 . 1 1 93 93 ARG CD C 13 43.223 0.039 . 1 . . . A 93 ARG CD . 19646 1 853 . 1 1 93 93 ARG N N 15 108.225 0.023 . 1 . . . A 93 ARG N . 19646 1 854 . 1 1 94 94 LYS H H 1 7.712 0.005 . 1 . . . A 94 LYS H . 19646 1 855 . 1 1 94 94 LYS HA H 1 4.524 0.003 . 1 . . . A 94 LYS HA . 19646 1 856 . 1 1 94 94 LYS HB2 H 1 1.756 0.002 . 2 . . . A 94 LYS HB2 . 19646 1 857 . 1 1 94 94 LYS HB3 H 1 1.701 0.002 . 2 . . . A 94 LYS HB3 . 19646 1 858 . 1 1 94 94 LYS HG2 H 1 1.411 0.001 . 2 . . . A 94 LYS HG2 . 19646 1 859 . 1 1 94 94 LYS HG3 H 1 1.367 0.004 . 2 . . . A 94 LYS HG3 . 19646 1 860 . 1 1 94 94 LYS HD2 H 1 1.725 0.003 . 2 . . . A 94 LYS HD2 . 19646 1 861 . 1 1 94 94 LYS HD3 H 1 1.671 0.005 . 2 . . . A 94 LYS HD3 . 19646 1 862 . 1 1 94 94 LYS HE2 H 1 3.024 0.004 . 2 . . . A 94 LYS HE2 . 19646 1 863 . 1 1 94 94 LYS HE3 H 1 3.028 0.000 . 2 . . . A 94 LYS HE3 . 19646 1 864 . 1 1 94 94 LYS CA C 13 53.875 0.023 . 1 . . . A 94 LYS CA . 19646 1 865 . 1 1 94 94 LYS CB C 13 36.106 0.028 . 1 . . . A 94 LYS CB . 19646 1 866 . 1 1 94 94 LYS CG C 13 24.041 0.029 . 1 . . . A 94 LYS CG . 19646 1 867 . 1 1 94 94 LYS CD C 13 29.110 0.036 . 1 . . . A 94 LYS CD . 19646 1 868 . 1 1 94 94 LYS CE C 13 42.201 0.014 . 1 . . . A 94 LYS CE . 19646 1 869 . 1 1 94 94 LYS N N 15 121.587 0.023 . 1 . . . A 94 LYS N . 19646 1 870 . 1 1 95 95 TRP H H 1 8.366 0.005 . 1 . . . A 95 TRP H . 19646 1 871 . 1 1 95 95 TRP HA H 1 4.812 0.007 . 1 . . . A 95 TRP HA . 19646 1 872 . 1 1 95 95 TRP HB2 H 1 3.024 0.006 . 2 . . . A 95 TRP HB2 . 19646 1 873 . 1 1 95 95 TRP HB3 H 1 2.881 0.004 . 2 . . . A 95 TRP HB3 . 19646 1 874 . 1 1 95 95 TRP HD1 H 1 7.353 0.003 . 1 . . . A 95 TRP HD1 . 19646 1 875 . 1 1 95 95 TRP HE1 H 1 9.618 0.005 . 1 . . . A 95 TRP HE1 . 19646 1 876 . 1 1 95 95 TRP HE3 H 1 6.723 0.007 . 1 . . . A 95 TRP HE3 . 19646 1 877 . 1 1 95 95 TRP HZ2 H 1 6.552 0.003 . 1 . . . A 95 TRP HZ2 . 19646 1 878 . 1 1 95 95 TRP HZ3 H 1 6.768 0.006 . 1 . . . A 95 TRP HZ3 . 19646 1 879 . 1 1 95 95 TRP HH2 H 1 6.092 0.005 . 1 . . . A 95 TRP HH2 . 19646 1 880 . 1 1 95 95 TRP CA C 13 55.886 0.078 . 1 . . . A 95 TRP CA . 19646 1 881 . 1 1 95 95 TRP CB C 13 30.257 0.029 . 1 . . . A 95 TRP CB . 19646 1 882 . 1 1 95 95 TRP CD1 C 13 127.360 0.038 . 1 . . . A 95 TRP CD1 . 19646 1 883 . 1 1 95 95 TRP CE3 C 13 119.588 0.098 . 1 . . . A 95 TRP CE3 . 19646 1 884 . 1 1 95 95 TRP CZ2 C 13 113.591 0.063 . 1 . . . A 95 TRP CZ2 . 19646 1 885 . 1 1 95 95 TRP CZ3 C 13 123.071 0.139 . 1 . . . A 95 TRP CZ3 . 19646 1 886 . 1 1 95 95 TRP CH2 C 13 123.627 0.154 . 1 . . . A 95 TRP CH2 . 19646 1 887 . 1 1 95 95 TRP N N 15 120.035 0.025 . 1 . . . A 95 TRP N . 19646 1 888 . 1 1 95 95 TRP NE1 N 15 126.126 0.022 . 1 . . . A 95 TRP NE1 . 19646 1 889 . 1 1 96 96 ASN H H 1 9.268 0.005 . 1 . . . A 96 ASN H . 19646 1 890 . 1 1 96 96 ASN HA H 1 5.068 0.003 . 1 . . . A 96 ASN HA . 19646 1 891 . 1 1 96 96 ASN HB2 H 1 2.917 0.006 . 2 . . . A 96 ASN HB2 . 19646 1 892 . 1 1 96 96 ASN HB3 H 1 2.776 0.003 . 2 . . . A 96 ASN HB3 . 19646 1 893 . 1 1 96 96 ASN HD21 H 1 7.093 0.002 . 1 . . . A 96 ASN HD21 . 19646 1 894 . 1 1 96 96 ASN HD22 H 1 6.919 0.002 . 1 . . . A 96 ASN HD22 . 19646 1 895 . 1 1 96 96 ASN CA C 13 52.832 0.042 . 1 . . . A 96 ASN CA . 19646 1 896 . 1 1 96 96 ASN CB C 13 39.532 0.038 . 1 . . . A 96 ASN CB . 19646 1 897 . 1 1 96 96 ASN N N 15 125.356 0.023 . 1 . . . A 96 ASN N . 19646 1 898 . 1 1 96 96 ASN ND2 N 15 113.428 0.036 . 1 . . . A 96 ASN ND2 . 19646 1 899 . 1 1 97 97 CYS HA H 1 5.712 0.005 . 1 . . . A 97 CYS HA . 19646 1 900 . 1 1 97 97 CYS HB2 H 1 3.016 0.005 . 2 . . . A 97 CYS HB2 . 19646 1 901 . 1 1 97 97 CYS HB3 H 1 2.977 0.003 . 2 . . . A 97 CYS HB3 . 19646 1 902 . 1 1 97 97 CYS CA C 13 55.808 0.032 . 1 . . . A 97 CYS CA . 19646 1 903 . 1 1 97 97 CYS CB C 13 47.903 0.015 . 1 . . . A 97 CYS CB . 19646 1 904 . 1 1 98 98 THR H H 1 8.221 0.009 . 1 . . . A 98 THR H . 19646 1 905 . 1 1 98 98 THR HA H 1 4.183 0.006 . 1 . . . A 98 THR HA . 19646 1 906 . 1 1 98 98 THR HB H 1 4.012 0.005 . 1 . . . A 98 THR HB . 19646 1 907 . 1 1 98 98 THR HG21 H 1 1.358 0.003 . 1 . . . A 98 THR HG21 . 19646 1 908 . 1 1 98 98 THR HG22 H 1 1.358 0.003 . 1 . . . A 98 THR HG22 . 19646 1 909 . 1 1 98 98 THR HG23 H 1 1.358 0.003 . 1 . . . A 98 THR HG23 . 19646 1 910 . 1 1 98 98 THR CA C 13 62.852 0.031 . 1 . . . A 98 THR CA . 19646 1 911 . 1 1 98 98 THR CB C 13 70.176 0.033 . 1 . . . A 98 THR CB . 19646 1 912 . 1 1 98 98 THR CG2 C 13 21.732 0.014 . 1 . . . A 98 THR CG2 . 19646 1 913 . 1 1 98 98 THR N N 15 112.700 0.021 . 1 . . . A 98 THR N . 19646 1 914 . 1 1 99 99 ASP H H 1 8.038 0.009 . 1 . . . A 99 ASP H . 19646 1 915 . 1 1 99 99 ASP HA H 1 4.649 0.004 . 1 . . . A 99 ASP HA . 19646 1 916 . 1 1 99 99 ASP HB2 H 1 2.554 0.003 . 2 . . . A 99 ASP HB2 . 19646 1 917 . 1 1 99 99 ASP HB3 H 1 2.496 0.004 . 2 . . . A 99 ASP HB3 . 19646 1 918 . 1 1 99 99 ASP CA C 13 52.707 0.062 . 1 . . . A 99 ASP CA . 19646 1 919 . 1 1 99 99 ASP CB C 13 40.809 0.032 . 1 . . . A 99 ASP CB . 19646 1 920 . 1 1 99 99 ASP N N 15 120.286 0.023 . 1 . . . A 99 ASP N . 19646 1 921 . 1 1 100 100 HIS H H 1 8.654 0.005 . 1 . . . A 100 HIS H . 19646 1 922 . 1 1 100 100 HIS HA H 1 4.655 0.005 . 1 . . . A 100 HIS HA . 19646 1 923 . 1 1 100 100 HIS HB2 H 1 3.041 0.007 . 2 . . . A 100 HIS HB2 . 19646 1 924 . 1 1 100 100 HIS HB3 H 1 2.938 0.003 . 2 . . . A 100 HIS HB3 . 19646 1 925 . 1 1 100 100 HIS HD2 H 1 7.044 0.003 . 1 . . . A 100 HIS HD2 . 19646 1 926 . 1 1 100 100 HIS HE1 H 1 7.854 0.007 . 1 . . . A 100 HIS HE1 . 19646 1 927 . 1 1 100 100 HIS CA C 13 55.554 0.038 . 1 . . . A 100 HIS CA . 19646 1 928 . 1 1 100 100 HIS CB C 13 30.875 0.053 . 1 . . . A 100 HIS CB . 19646 1 929 . 1 1 100 100 HIS CD2 C 13 120.696 0.061 . 1 . . . A 100 HIS CD2 . 19646 1 930 . 1 1 100 100 HIS CE1 C 13 138.890 0.032 . 1 . . . A 100 HIS CE1 . 19646 1 931 . 1 1 100 100 HIS N N 15 120.257 0.165 . 1 . . . A 100 HIS N . 19646 1 932 . 1 1 101 101 VAL H H 1 8.687 0.003 . 1 . . . A 101 VAL H . 19646 1 933 . 1 1 101 101 VAL HA H 1 3.982 0.004 . 1 . . . A 101 VAL HA . 19646 1 934 . 1 1 101 101 VAL HB H 1 2.008 0.001 . 1 . . . A 101 VAL HB . 19646 1 935 . 1 1 101 101 VAL HG11 H 1 0.944 0.005 . 2 . . . A 101 VAL HG11 . 19646 1 936 . 1 1 101 101 VAL HG12 H 1 0.944 0.005 . 2 . . . A 101 VAL HG12 . 19646 1 937 . 1 1 101 101 VAL HG13 H 1 0.944 0.005 . 2 . . . A 101 VAL HG13 . 19646 1 938 . 1 1 101 101 VAL HG21 H 1 0.999 0.008 . 2 . . . A 101 VAL HG21 . 19646 1 939 . 1 1 101 101 VAL HG22 H 1 0.999 0.008 . 2 . . . A 101 VAL HG22 . 19646 1 940 . 1 1 101 101 VAL HG23 H 1 0.999 0.008 . 2 . . . A 101 VAL HG23 . 19646 1 941 . 1 1 101 101 VAL CA C 13 62.929 0.028 . 1 . . . A 101 VAL CA . 19646 1 942 . 1 1 101 101 VAL CB C 13 31.843 0.010 . 1 . . . A 101 VAL CB . 19646 1 943 . 1 1 101 101 VAL CG1 C 13 21.349 0.039 . 2 . . . A 101 VAL CG1 . 19646 1 944 . 1 1 101 101 VAL CG2 C 13 21.206 0.021 . 2 . . . A 101 VAL CG2 . 19646 1 945 . 1 1 101 101 VAL N N 15 123.478 0.073 . 1 . . . A 101 VAL N . 19646 1 946 . 1 1 102 102 CYS H H 1 8.700 0.007 . 1 . . . A 102 CYS H . 19646 1 947 . 1 1 102 102 CYS HA H 1 4.844 0.005 . 1 . . . A 102 CYS HA . 19646 1 948 . 1 1 102 102 CYS HB2 H 1 3.532 0.005 . 2 . . . A 102 CYS HB2 . 19646 1 949 . 1 1 102 102 CYS HB3 H 1 2.831 0.004 . 2 . . . A 102 CYS HB3 . 19646 1 950 . 1 1 102 102 CYS CA C 13 52.964 0.026 . 1 . . . A 102 CYS CA . 19646 1 951 . 1 1 102 102 CYS CB C 13 37.591 0.047 . 1 . . . A 102 CYS CB . 19646 1 952 . 1 1 102 102 CYS N N 15 125.981 0.017 . 1 . . . A 102 CYS N . 19646 1 953 . 1 1 103 103 ASP H H 1 8.041 0.002 . 1 . . . A 103 ASP H . 19646 1 954 . 1 1 103 103 ASP HA H 1 4.345 0.002 . 1 . . . A 103 ASP HA . 19646 1 955 . 1 1 103 103 ASP HB2 H 1 2.618 0.002 . 2 . . . A 103 ASP HB2 . 19646 1 956 . 1 1 103 103 ASP HB3 H 1 2.534 0.002 . 2 . . . A 103 ASP HB3 . 19646 1 957 . 1 1 103 103 ASP CA C 13 55.939 0.005 . 1 . . . A 103 ASP CA . 19646 1 958 . 1 1 103 103 ASP CB C 13 42.176 0.020 . 1 . . . A 103 ASP CB . 19646 1 959 . 1 1 103 103 ASP N N 15 127.664 0.030 . 1 . . . A 103 ASP N . 19646 1 stop_ save_