data_25377 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25377 _Entry.Title ; MDMX-P53 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-03 _Entry.Accession_date 2014-12-03 _Entry.Last_release_date 2016-01-25 _Entry.Original_release_date 2016-01-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.93 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Christy Grace . R. . . 25377 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' . 25377 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MDMX . 25377 'P53 peptide' . 25377 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25377 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 585 25377 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-01-25 . original BMRB . 25377 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MWY 'BMRB Entry Tracking System' 25377 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25377 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Monitoring ligand induced protein ordering in drug discovery ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christy Grace . . . . 25377 1 2 Richard Kriwacki . . . . 25377 1 3 David Ban . . . . 25377 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25377 _Assembly.ID 1 _Assembly.Name MDMX-P53 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity_1 A . yes native no no . . . 25377 1 2 entity_2 2 $entity_2 B . yes native no no . . . 25377 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25377 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; QINQVRPKLPLLKILHAAGA QGEMFTVKEVMHYLGQYIMV KQLYDQQEQHMVYCGGDLLG ELLGRQSFSVKDPSPLYDML RKNLVTLAT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 corresponds to 23 in MDMX' _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10160.976 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 23 GLN . 25377 1 2 24 ILE . 25377 1 3 25 ASN . 25377 1 4 26 GLN . 25377 1 5 27 VAL . 25377 1 6 28 ARG . 25377 1 7 29 PRO . 25377 1 8 30 LYS . 25377 1 9 31 LEU . 25377 1 10 32 PRO . 25377 1 11 33 LEU . 25377 1 12 34 LEU . 25377 1 13 35 LYS . 25377 1 14 36 ILE . 25377 1 15 37 LEU . 25377 1 16 38 HIS . 25377 1 17 39 ALA . 25377 1 18 40 ALA . 25377 1 19 41 GLY . 25377 1 20 42 ALA . 25377 1 21 43 GLN . 25377 1 22 44 GLY . 25377 1 23 45 GLU . 25377 1 24 46 MET . 25377 1 25 47 PHE . 25377 1 26 48 THR . 25377 1 27 49 VAL . 25377 1 28 50 LYS . 25377 1 29 51 GLU . 25377 1 30 52 VAL . 25377 1 31 53 MET . 25377 1 32 54 HIS . 25377 1 33 55 TYR . 25377 1 34 56 LEU . 25377 1 35 57 GLY . 25377 1 36 58 GLN . 25377 1 37 59 TYR . 25377 1 38 60 ILE . 25377 1 39 61 MET . 25377 1 40 62 VAL . 25377 1 41 63 LYS . 25377 1 42 64 GLN . 25377 1 43 65 LEU . 25377 1 44 66 TYR . 25377 1 45 67 ASP . 25377 1 46 68 GLN . 25377 1 47 69 GLN . 25377 1 48 70 GLU . 25377 1 49 71 GLN . 25377 1 50 72 HIS . 25377 1 51 73 MET . 25377 1 52 74 VAL . 25377 1 53 75 TYR . 25377 1 54 76 CYS . 25377 1 55 77 GLY . 25377 1 56 78 GLY . 25377 1 57 79 ASP . 25377 1 58 80 LEU . 25377 1 59 81 LEU . 25377 1 60 82 GLY . 25377 1 61 83 GLU . 25377 1 62 84 LEU . 25377 1 63 85 LEU . 25377 1 64 86 GLY . 25377 1 65 87 ARG . 25377 1 66 88 GLN . 25377 1 67 89 SER . 25377 1 68 90 PHE . 25377 1 69 91 SER . 25377 1 70 92 VAL . 25377 1 71 93 LYS . 25377 1 72 94 ASP . 25377 1 73 95 PRO . 25377 1 74 96 SER . 25377 1 75 97 PRO . 25377 1 76 98 LEU . 25377 1 77 99 TYR . 25377 1 78 100 ASP . 25377 1 79 101 MET . 25377 1 80 102 LEU . 25377 1 81 103 ARG . 25377 1 82 104 LYS . 25377 1 83 105 ASN . 25377 1 84 106 LEU . 25377 1 85 107 VAL . 25377 1 86 108 THR . 25377 1 87 109 LEU . 25377 1 88 110 ALA . 25377 1 89 111 THR . 25377 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 . GLN 1 1 25377 1 . ILE 2 2 25377 1 . ASN 3 3 25377 1 . GLN 4 4 25377 1 . VAL 5 5 25377 1 . ARG 6 6 25377 1 . PRO 7 7 25377 1 . LYS 8 8 25377 1 . LEU 9 9 25377 1 . PRO 10 10 25377 1 . LEU 11 11 25377 1 . LEU 12 12 25377 1 . LYS 13 13 25377 1 . ILE 14 14 25377 1 . LEU 15 15 25377 1 . HIS 16 16 25377 1 . ALA 17 17 25377 1 . ALA 18 18 25377 1 . GLY 19 19 25377 1 . ALA 20 20 25377 1 . GLN 21 21 25377 1 . GLY 22 22 25377 1 . GLU 23 23 25377 1 . MET 24 24 25377 1 . PHE 25 25 25377 1 . THR 26 26 25377 1 . VAL 27 27 25377 1 . LYS 28 28 25377 1 . GLU 29 29 25377 1 . VAL 30 30 25377 1 . MET 31 31 25377 1 . HIS 32 32 25377 1 . TYR 33 33 25377 1 . LEU 34 34 25377 1 . GLY 35 35 25377 1 . GLN 36 36 25377 1 . TYR 37 37 25377 1 . ILE 38 38 25377 1 . MET 39 39 25377 1 . VAL 40 40 25377 1 . LYS 41 41 25377 1 . GLN 42 42 25377 1 . LEU 43 43 25377 1 . TYR 44 44 25377 1 . ASP 45 45 25377 1 . GLN 46 46 25377 1 . GLN 47 47 25377 1 . GLU 48 48 25377 1 . GLN 49 49 25377 1 . HIS 50 50 25377 1 . MET 51 51 25377 1 . VAL 52 52 25377 1 . TYR 53 53 25377 1 . CYS 54 54 25377 1 . GLY 55 55 25377 1 . GLY 56 56 25377 1 . ASP 57 57 25377 1 . LEU 58 58 25377 1 . LEU 59 59 25377 1 . GLY 60 60 25377 1 . GLU 61 61 25377 1 . LEU 62 62 25377 1 . LEU 63 63 25377 1 . GLY 64 64 25377 1 . ARG 65 65 25377 1 . GLN 66 66 25377 1 . SER 67 67 25377 1 . PHE 68 68 25377 1 . SER 69 69 25377 1 . VAL 70 70 25377 1 . LYS 71 71 25377 1 . ASP 72 72 25377 1 . PRO 73 73 25377 1 . SER 74 74 25377 1 . PRO 75 75 25377 1 . LEU 76 76 25377 1 . TYR 77 77 25377 1 . ASP 78 78 25377 1 . MET 79 79 25377 1 . LEU 80 80 25377 1 . ARG 81 81 25377 1 . LYS 82 82 25377 1 . ASN 83 83 25377 1 . LEU 84 84 25377 1 . VAL 85 85 25377 1 . THR 86 86 25377 1 . LEU 87 87 25377 1 . ALA 88 88 25377 1 . THR 89 89 25377 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25377 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SQETFSDLWKLLPEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Peptide is TAD of p53 from 15 to 29' _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 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1807.993 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 15 SER . 25377 2 2 16 GLN . 25377 2 3 17 GLU . 25377 2 4 18 THR . 25377 2 5 19 PHE . 25377 2 6 20 SER . 25377 2 7 21 ASP . 25377 2 8 22 LEU . 25377 2 9 23 TRP . 25377 2 10 24 LYS . 25377 2 11 25 LEU . 25377 2 12 26 LEU . 25377 2 13 27 PRO . 25377 2 14 28 GLU . 25377 2 15 29 ASN . 25377 2 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 . SER 1 1 25377 2 . GLN 2 2 25377 2 . GLU 3 3 25377 2 . THR 4 4 25377 2 . PHE 5 5 25377 2 . SER 6 6 25377 2 . ASP 7 7 25377 2 . LEU 8 8 25377 2 . TRP 9 9 25377 2 . LYS 10 10 25377 2 . LEU 11 11 25377 2 . LEU 12 12 25377 2 . PRO 13 13 25377 2 . GLU 14 14 25377 2 . ASN 15 15 25377 2 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 25377 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25377 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25377 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 25377 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21(DE3) . . . 25377 1 2 2 $entity_2 . 'recombinant technology' 'peptide synthesis' . . . peptide synthesis . . . . . . 'peptide synthesis' . . . 25377 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25377 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 25377 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.2 . . mM . . . . 25377 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25377 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25377 1 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 25377 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 25377 1 pH 7.0 . pH 25377 1 pressure 1 . atm 25377 1 temperature 298 . K 25377 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25377 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G??ntert P.' . . 25377 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25377 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25377 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25377 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25377 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25377 1 2 spectrometer_2 Bruker Avance . 800 . . . 25377 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 25377 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25377 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25377 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25377 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25377 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25377 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 25377 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25377 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25377 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25377 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 25377 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25377 1 3 '2D 1H-13C HSQC aliphatic' . . . 25377 1 4 '2D 1H-13C HSQC aromatic' . . . 25377 1 5 '3D HNCACB' . . . 25377 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 25377 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HB3 H 1 1.905 0.020 . 1 . . . . 23 GLN HB3 . 25377 1 2 . 1 1 2 2 ILE HB H 1 1.806 0.020 . 1 . . . . 24 ILE HB . 25377 1 3 . 1 1 2 2 ILE HG12 H 1 1.399 0.020 . 2 . . . . 24 ILE HG12 . 25377 1 4 . 1 1 2 2 ILE HG13 H 1 1.126 0.020 . 2 . . . . 24 ILE HG13 . 25377 1 5 . 1 1 2 2 ILE HG21 H 1 0.869 0.020 . 1 . . . . 24 ILE HG2 . 25377 1 6 . 1 1 2 2 ILE HG22 H 1 0.869 0.020 . 1 . . . . 24 ILE HG2 . 25377 1 7 . 1 1 2 2 ILE HG23 H 1 0.869 0.020 . 1 . . . . 24 ILE HG2 . 25377 1 8 . 1 1 2 2 ILE HD11 H 1 0.809 0.020 . 1 . . . . 24 ILE HD1 . 25377 1 9 . 1 1 2 2 ILE HD12 H 1 0.809 0.020 . 1 . . . . 24 ILE HD1 . 25377 1 10 . 1 1 2 2 ILE HD13 H 1 0.809 0.020 . 1 . . . . 24 ILE HD1 . 25377 1 11 . 1 1 3 3 ASN HB2 H 1 2.786 0.020 . 2 . . . . 25 ASN HB2 . 25377 1 12 . 1 1 3 3 ASN HB3 H 1 2.727 0.020 . 2 . . . . 25 ASN HB3 . 25377 1 13 . 1 1 3 3 ASN HD21 H 1 7.538 0.020 . 1 . . . . 25 ASN HD21 . 25377 1 14 . 1 1 3 3 ASN HD22 H 1 6.869 0.020 . 1 . . . . 25 ASN HD22 . 25377 1 15 . 1 1 4 4 GLN HB2 H 1 1.879 0.020 . 1 . . . . 26 GLN HB2 . 25377 1 16 . 1 1 4 4 GLN HB3 H 1 1.879 0.020 . 1 . . . . 26 GLN HB3 . 25377 1 17 . 1 1 4 4 GLN HG2 H 1 2.247 0.020 . 2 . . . . 26 GLN HG2 . 25377 1 18 . 1 1 4 4 GLN HG3 H 1 2.014 0.020 . 2 . . . . 26 GLN HG3 . 25377 1 19 . 1 1 4 4 GLN HE21 H 1 7.250 0.020 . 1 . . . . 26 GLN HE21 . 25377 1 20 . 1 1 4 4 GLN HE22 H 1 6.626 0.020 . 1 . . . . 26 GLN HE22 . 25377 1 21 . 1 1 5 5 VAL HB H 1 1.779 0.020 . 1 . . . . 27 VAL HB . 25377 1 22 . 1 1 5 5 VAL HG11 H 1 0.775 0.020 . 2 . . . . 27 VAL HG1 . 25377 1 23 . 1 1 5 5 VAL HG12 H 1 0.775 0.020 . 2 . . . . 27 VAL HG1 . 25377 1 24 . 1 1 5 5 VAL HG13 H 1 0.775 0.020 . 2 . . . . 27 VAL HG1 . 25377 1 25 . 1 1 5 5 VAL HG21 H 1 0.732 0.020 . 2 . . . . 27 VAL HG2 . 25377 1 26 . 1 1 5 5 VAL HG22 H 1 0.732 0.020 . 2 . . . . 27 VAL HG2 . 25377 1 27 . 1 1 5 5 VAL HG23 H 1 0.732 0.020 . 2 . . . . 27 VAL HG2 . 25377 1 28 . 1 1 6 6 ARG HB2 H 1 1.840 0.020 . 2 . . . . 28 ARG HB2 . 25377 1 29 . 1 1 6 6 ARG HB3 H 1 1.583 0.020 . 2 . . . . 28 ARG HB3 . 25377 1 30 . 1 1 6 6 ARG HG2 H 1 1.689 0.020 . 2 . . . . 28 ARG HG2 . 25377 1 31 . 1 1 6 6 ARG HG3 H 1 1.434 0.020 . 2 . . . . 28 ARG HG3 . 25377 1 32 . 1 1 6 6 ARG HD2 H 1 3.118 0.020 . 1 . . . . 28 ARG HD2 . 25377 1 33 . 1 1 6 6 ARG HD3 H 1 3.118 0.020 . 1 . . . . 28 ARG HD3 . 25377 1 34 . 1 1 7 7 PRO HB2 H 1 1.698 0.020 . 1 . . . . 29 PRO HB2 . 25377 1 35 . 1 1 7 7 PRO HB3 H 1 1.698 0.020 . 1 . . . . 29 PRO HB3 . 25377 1 36 . 1 1 7 7 PRO HG2 H 1 1.820 0.020 . 2 . . . . 29 PRO HG2 . 25377 1 37 . 1 1 7 7 PRO HG3 H 1 1.410 0.020 . 2 . . . . 29 PRO HG3 . 25377 1 38 . 1 1 7 7 PRO HD2 H 1 4.173 0.020 . 2 . . . . 29 PRO HD2 . 25377 1 39 . 1 1 7 7 PRO HD3 H 1 4.031 0.020 . 2 . . . . 29 PRO HD3 . 25377 1 40 . 1 1 8 8 LYS HB2 H 1 2.019 0.020 . 2 . . . . 30 LYS HB2 . 25377 1 41 . 1 1 8 8 LYS HB3 H 1 1.950 0.020 . 2 . . . . 30 LYS HB3 . 25377 1 42 . 1 1 8 8 LYS HG2 H 1 1.449 0.020 . 1 . . . . 30 LYS HG2 . 25377 1 43 . 1 1 8 8 LYS HG3 H 1 1.449 0.020 . 1 . . . . 30 LYS HG3 . 25377 1 44 . 1 1 8 8 LYS HD2 H 1 1.764 0.020 . 1 . . . . 30 LYS HD2 . 25377 1 45 . 1 1 8 8 LYS HD3 H 1 1.764 0.020 . 1 . . . . 30 LYS HD3 . 25377 1 46 . 1 1 8 8 LYS HE2 H 1 2.881 0.020 . 1 . . . . 30 LYS HE2 . 25377 1 47 . 1 1 8 8 LYS HE3 H 1 2.881 0.020 . 1 . . . . 30 LYS HE3 . 25377 1 48 . 1 1 9 9 LEU HB2 H 1 1.711 0.020 . 1 . . . . 31 LEU HB2 . 25377 1 49 . 1 1 9 9 LEU HB3 H 1 1.711 0.020 . 1 . . . . 31 LEU HB3 . 25377 1 50 . 1 1 9 9 LEU HG H 1 1.617 0.020 . 1 . . . . 31 LEU HG . 25377 1 51 . 1 1 9 9 LEU HD11 H 1 0.914 0.020 . 1 . . . . 31 LEU HD1 . 25377 1 52 . 1 1 9 9 LEU HD12 H 1 0.914 0.020 . 1 . . . . 31 LEU HD1 . 25377 1 53 . 1 1 9 9 LEU HD13 H 1 0.914 0.020 . 1 . . . . 31 LEU HD1 . 25377 1 54 . 1 1 9 9 LEU HD21 H 1 0.914 0.020 . 1 . . . . 31 LEU HD2 . 25377 1 55 . 1 1 9 9 LEU HD22 H 1 0.914 0.020 . 1 . . . . 31 LEU HD2 . 25377 1 56 . 1 1 9 9 LEU HD23 H 1 0.914 0.020 . 1 . . . . 31 LEU HD2 . 25377 1 57 . 1 1 10 10 PRO HB2 H 1 2.254 0.020 . 2 . . . . 32 PRO HB2 . 25377 1 58 . 1 1 10 10 PRO HB3 H 1 1.631 0.020 . 2 . . . . 32 PRO HB3 . 25377 1 59 . 1 1 10 10 PRO HG2 H 1 1.961 0.020 . 1 . . . . 32 PRO HG2 . 25377 1 60 . 1 1 10 10 PRO HG3 H 1 1.961 0.020 . 1 . . . . 32 PRO HG3 . 25377 1 61 . 1 1 10 10 PRO HD2 H 1 3.735 0.020 . 2 . . . . 32 PRO HD2 . 25377 1 62 . 1 1 10 10 PRO HD3 H 1 3.465 0.020 . 2 . . . . 32 PRO HD3 . 25377 1 63 . 1 1 11 11 LEU HB2 H 1 1.819 0.020 . 2 . . . . 33 LEU HB2 . 25377 1 64 . 1 1 11 11 LEU HB3 H 1 1.104 0.020 . 2 . . . . 33 LEU HB3 . 25377 1 65 . 1 1 11 11 LEU HG H 1 1.263 0.020 . 1 . . . . 33 LEU HG . 25377 1 66 . 1 1 11 11 LEU HD11 H 1 0.717 0.020 . 2 . . . . 33 LEU HD1 . 25377 1 67 . 1 1 11 11 LEU HD12 H 1 0.717 0.020 . 2 . . . . 33 LEU HD1 . 25377 1 68 . 1 1 11 11 LEU HD13 H 1 0.717 0.020 . 2 . . . . 33 LEU HD1 . 25377 1 69 . 1 1 11 11 LEU HD21 H 1 0.681 0.020 . 2 . . . . 33 LEU HD2 . 25377 1 70 . 1 1 11 11 LEU HD22 H 1 0.681 0.020 . 2 . . . . 33 LEU HD2 . 25377 1 71 . 1 1 11 11 LEU HD23 H 1 0.681 0.020 . 2 . . . . 33 LEU HD2 . 25377 1 72 . 1 1 12 12 LEU HB2 H 1 1.725 0.020 . 2 . . . . 34 LEU HB2 . 25377 1 73 . 1 1 12 12 LEU HB3 H 1 1.199 0.020 . 2 . . . . 34 LEU HB3 . 25377 1 74 . 1 1 12 12 LEU HD11 H 1 0.895 0.020 . 2 . . . . 34 LEU HD1 . 25377 1 75 . 1 1 12 12 LEU HD12 H 1 0.895 0.020 . 2 . . . . 34 LEU HD1 . 25377 1 76 . 1 1 12 12 LEU HD13 H 1 0.895 0.020 . 2 . . . . 34 LEU HD1 . 25377 1 77 . 1 1 12 12 LEU HD21 H 1 0.862 0.020 . 2 . . . . 34 LEU HD2 . 25377 1 78 . 1 1 12 12 LEU HD22 H 1 0.862 0.020 . 2 . . . . 34 LEU HD2 . 25377 1 79 . 1 1 12 12 LEU HD23 H 1 0.862 0.020 . 2 . . . . 34 LEU HD2 . 25377 1 80 . 1 1 13 13 LYS HB2 H 1 1.782 0.020 . 2 . . . . 35 LYS HB2 . 25377 1 81 . 1 1 13 13 LYS HB3 H 1 1.702 0.020 . 2 . . . . 35 LYS HB3 . 25377 1 82 . 1 1 13 13 LYS HG2 H 1 1.527 0.020 . 2 . . . . 35 LYS HG2 . 25377 1 83 . 1 1 13 13 LYS HG3 H 1 1.333 0.020 . 2 . . . . 35 LYS HG3 . 25377 1 84 . 1 1 13 13 LYS HD2 H 1 1.581 0.020 . 1 . . . . 35 LYS HD2 . 25377 1 85 . 1 1 13 13 LYS HD3 H 1 1.581 0.020 . 1 . . . . 35 LYS HD3 . 25377 1 86 . 1 1 13 13 LYS HE2 H 1 2.880 0.020 . 1 . . . . 35 LYS HE2 . 25377 1 87 . 1 1 13 13 LYS HE3 H 1 2.880 0.020 . 1 . . . . 35 LYS HE3 . 25377 1 88 . 1 1 14 14 ILE HB H 1 1.723 0.020 . 1 . . . . 36 ILE HB . 25377 1 89 . 1 1 14 14 ILE HG12 H 1 1.381 0.020 . 2 . . . . 36 ILE HG12 . 25377 1 90 . 1 1 14 14 ILE HG13 H 1 0.669 0.020 . 2 . . . . 36 ILE HG13 . 25377 1 91 . 1 1 14 14 ILE HG21 H 1 -0.251 0.020 . 1 . . . . 36 ILE HG2 . 25377 1 92 . 1 1 14 14 ILE HG22 H 1 -0.251 0.020 . 1 . . . . 36 ILE HG2 . 25377 1 93 . 1 1 14 14 ILE HG23 H 1 -0.251 0.020 . 1 . . . . 36 ILE HG2 . 25377 1 94 . 1 1 14 14 ILE HD11 H 1 0.333 0.020 . 1 . . . . 36 ILE HD1 . 25377 1 95 . 1 1 14 14 ILE HD12 H 1 0.333 0.020 . 1 . . . . 36 ILE HD1 . 25377 1 96 . 1 1 14 14 ILE HD13 H 1 0.333 0.020 . 1 . . . . 36 ILE HD1 . 25377 1 97 . 1 1 15 15 LEU HB2 H 1 1.385 0.020 . 2 . . . . 37 LEU HB2 . 25377 1 98 . 1 1 15 15 LEU HB3 H 1 0.619 0.020 . 2 . . . . 37 LEU HB3 . 25377 1 99 . 1 1 15 15 LEU HG H 1 1.674 0.020 . 1 . . . . 37 LEU HG . 25377 1 100 . 1 1 15 15 LEU HD11 H 1 0.474 0.020 . 2 . . . . 37 LEU HD1 . 25377 1 101 . 1 1 15 15 LEU HD12 H 1 0.474 0.020 . 2 . . . . 37 LEU HD1 . 25377 1 102 . 1 1 15 15 LEU HD13 H 1 0.474 0.020 . 2 . . . . 37 LEU HD1 . 25377 1 103 . 1 1 15 15 LEU HD21 H 1 0.156 0.020 . 2 . . . . 37 LEU HD2 . 25377 1 104 . 1 1 15 15 LEU HD22 H 1 0.156 0.020 . 2 . . . . 37 LEU HD2 . 25377 1 105 . 1 1 15 15 LEU HD23 H 1 0.156 0.020 . 2 . . . . 37 LEU HD2 . 25377 1 106 . 1 1 16 16 HIS HB2 H 1 3.066 0.020 . 1 . . . . 38 HIS HB2 . 25377 1 107 . 1 1 16 16 HIS HB3 H 1 3.066 0.020 . 1 . . . . 38 HIS HB3 . 25377 1 108 . 1 1 16 16 HIS HD2 H 1 6.425 0.020 . 1 . . . . 38 HIS HD2 . 25377 1 109 . 1 1 16 16 HIS HE1 H 1 7.847 0.020 . 1 . . . . 38 HIS HE1 . 25377 1 110 . 1 1 17 17 ALA HB1 H 1 1.746 0.020 . 1 . . . . 39 ALA HB . 25377 1 111 . 1 1 17 17 ALA HB2 H 1 1.746 0.020 . 1 . . . . 39 ALA HB . 25377 1 112 . 1 1 17 17 ALA HB3 H 1 1.746 0.020 . 1 . . . . 39 ALA HB . 25377 1 113 . 1 1 18 18 ALA HB1 H 1 1.780 0.020 . 1 . . . . 40 ALA HB . 25377 1 114 . 1 1 18 18 ALA HB2 H 1 1.780 0.020 . 1 . . . . 40 ALA HB . 25377 1 115 . 1 1 18 18 ALA HB3 H 1 1.780 0.020 . 1 . . . . 40 ALA HB . 25377 1 116 . 1 1 20 20 ALA HB1 H 1 0.206 0.020 . 1 . . . . 42 ALA HB . 25377 1 117 . 1 1 20 20 ALA HB2 H 1 0.206 0.020 . 1 . . . . 42 ALA HB . 25377 1 118 . 1 1 20 20 ALA HB3 H 1 0.206 0.020 . 1 . . . . 42 ALA HB . 25377 1 119 . 1 1 21 21 GLN HB2 H 1 1.950 0.020 . 2 . . . . 43 GLN HB2 . 25377 1 120 . 1 1 21 21 GLN HB3 H 1 1.810 0.020 . 2 . . . . 43 GLN HB3 . 25377 1 121 . 1 1 21 21 GLN HG2 H 1 2.251 0.020 . 2 . . . . 43 GLN HG2 . 25377 1 122 . 1 1 21 21 GLN HG3 H 1 2.169 0.020 . 2 . . . . 43 GLN HG3 . 25377 1 123 . 1 1 21 21 GLN HE21 H 1 7.375 0.020 . 1 . . . . 43 GLN HE21 . 25377 1 124 . 1 1 21 21 GLN HE22 H 1 6.701 0.020 . 1 . . . . 43 GLN HE22 . 25377 1 125 . 1 1 23 23 GLU HB2 H 1 2.098 0.020 . 2 . . . . 45 GLU HB2 . 25377 1 126 . 1 1 23 23 GLU HB3 H 1 1.825 0.020 . 2 . . . . 45 GLU HB3 . 25377 1 127 . 1 1 23 23 GLU HG2 H 1 2.181 0.020 . 2 . . . . 45 GLU HG2 . 25377 1 128 . 1 1 23 23 GLU HG3 H 1 2.135 0.020 . 2 . . . . 45 GLU HG3 . 25377 1 129 . 1 1 24 24 MET HB2 H 1 1.684 0.020 . 1 . . . . 46 MET HB2 . 25377 1 130 . 1 1 24 24 MET HB3 H 1 1.684 0.020 . 1 . . . . 46 MET HB3 . 25377 1 131 . 1 1 24 24 MET HG2 H 1 2.330 0.020 . 2 . . . . 46 MET HG2 . 25377 1 132 . 1 1 24 24 MET HG3 H 1 2.248 0.020 . 2 . . . . 46 MET HG3 . 25377 1 133 . 1 1 24 24 MET HE1 H 1 2.020 0.020 . 1 . . . . 46 MET HE . 25377 1 134 . 1 1 24 24 MET HE2 H 1 2.020 0.020 . 1 . . . . 46 MET HE . 25377 1 135 . 1 1 24 24 MET HE3 H 1 2.020 0.020 . 1 . . . . 46 MET HE . 25377 1 136 . 1 1 25 25 PHE HB2 H 1 3.694 0.020 . 2 . . . . 47 PHE HB2 . 25377 1 137 . 1 1 25 25 PHE HB3 H 1 2.096 0.020 . 2 . . . . 47 PHE HB3 . 25377 1 138 . 1 1 25 25 PHE HD1 H 1 6.969 0.020 . 1 . . . . 47 PHE HD1 . 25377 1 139 . 1 1 25 25 PHE HD2 H 1 6.969 0.020 . 1 . . . . 47 PHE HD2 . 25377 1 140 . 1 1 25 25 PHE HE1 H 1 6.934 0.020 . 1 . . . . 47 PHE HE1 . 25377 1 141 . 1 1 25 25 PHE HE2 H 1 6.934 0.020 . 1 . . . . 47 PHE HE2 . 25377 1 142 . 1 1 25 25 PHE HZ H 1 6.624 0.020 . 1 . . . . 47 PHE HZ . 25377 1 143 . 1 1 26 26 THR HB H 1 4.733 0.020 . 1 . . . . 48 THR HB . 25377 1 144 . 1 1 26 26 THR HG21 H 1 1.311 0.020 . 1 . . . . 48 THR HG2 . 25377 1 145 . 1 1 26 26 THR HG22 H 1 1.311 0.020 . 1 . . . . 48 THR HG2 . 25377 1 146 . 1 1 26 26 THR HG23 H 1 1.311 0.020 . 1 . . . . 48 THR HG2 . 25377 1 147 . 1 1 27 27 VAL HB H 1 2.035 0.020 . 1 . . . . 49 VAL HB . 25377 1 148 . 1 1 27 27 VAL HG11 H 1 0.997 0.020 . 2 . . . . 49 VAL HG1 . 25377 1 149 . 1 1 27 27 VAL HG12 H 1 0.997 0.020 . 2 . . . . 49 VAL HG1 . 25377 1 150 . 1 1 27 27 VAL HG13 H 1 0.997 0.020 . 2 . . . . 49 VAL HG1 . 25377 1 151 . 1 1 27 27 VAL HG21 H 1 0.884 0.020 . 2 . . . . 49 VAL HG2 . 25377 1 152 . 1 1 27 27 VAL HG22 H 1 0.884 0.020 . 2 . . . . 49 VAL HG2 . 25377 1 153 . 1 1 27 27 VAL HG23 H 1 0.884 0.020 . 2 . . . . 49 VAL HG2 . 25377 1 154 . 1 1 28 28 LYS HB2 H 1 1.885 0.020 . 2 . . . . 50 LYS HB2 . 25377 1 155 . 1 1 28 28 LYS HB3 H 1 1.720 0.020 . 2 . . . . 50 LYS HB3 . 25377 1 156 . 1 1 28 28 LYS HG2 H 1 1.484 0.020 . 2 . . . . 50 LYS HG2 . 25377 1 157 . 1 1 28 28 LYS HG3 H 1 1.332 0.020 . 2 . . . . 50 LYS HG3 . 25377 1 158 . 1 1 28 28 LYS HD2 H 1 1.661 0.020 . 2 . . . . 50 LYS HD2 . 25377 1 159 . 1 1 28 28 LYS HD3 H 1 1.570 0.020 . 2 . . . . 50 LYS HD3 . 25377 1 160 . 1 1 28 28 LYS HE2 H 1 2.960 0.020 . 2 . . . . 50 LYS HE2 . 25377 1 161 . 1 1 28 28 LYS HE3 H 1 2.880 0.020 . 2 . . . . 50 LYS HE3 . 25377 1 162 . 1 1 29 29 GLU HB2 H 1 2.939 0.020 . 2 . . . . 51 GLU HB2 . 25377 1 163 . 1 1 29 29 GLU HB3 H 1 2.248 0.020 . 2 . . . . 51 GLU HB3 . 25377 1 164 . 1 1 29 29 GLU HG2 H 1 2.531 0.020 . 2 . . . . 51 GLU HG2 . 25377 1 165 . 1 1 29 29 GLU HG3 H 1 2.396 0.020 . 2 . . . . 51 GLU HG3 . 25377 1 166 . 1 1 30 30 VAL HB H 1 2.399 0.020 . 1 . . . . 52 VAL HB . 25377 1 167 . 1 1 30 30 VAL HG11 H 1 0.836 0.020 . 2 . . . . 52 VAL HG1 . 25377 1 168 . 1 1 30 30 VAL HG12 H 1 0.836 0.020 . 2 . . . . 52 VAL HG1 . 25377 1 169 . 1 1 30 30 VAL HG13 H 1 0.836 0.020 . 2 . . . . 52 VAL HG1 . 25377 1 170 . 1 1 30 30 VAL HG21 H 1 0.816 0.020 . 2 . . . . 52 VAL HG2 . 25377 1 171 . 1 1 30 30 VAL HG22 H 1 0.816 0.020 . 2 . . . . 52 VAL HG2 . 25377 1 172 . 1 1 30 30 VAL HG23 H 1 0.816 0.020 . 2 . . . . 52 VAL HG2 . 25377 1 173 . 1 1 31 31 MET HB2 H 1 2.650 0.020 . 2 . . . . 53 MET HB2 . 25377 1 174 . 1 1 31 31 MET HB3 H 1 2.542 0.020 . 2 . . . . 53 MET HB3 . 25377 1 175 . 1 1 31 31 MET HG2 H 1 2.167 0.020 . 1 . . . . 53 MET HG2 . 25377 1 176 . 1 1 31 31 MET HG3 H 1 2.167 0.020 . 1 . . . . 53 MET HG3 . 25377 1 177 . 1 1 31 31 MET HE1 H 1 1.534 0.020 . 1 . . . . 53 MET HE . 25377 1 178 . 1 1 31 31 MET HE2 H 1 1.534 0.020 . 1 . . . . 53 MET HE . 25377 1 179 . 1 1 31 31 MET HE3 H 1 1.534 0.020 . 1 . . . . 53 MET HE . 25377 1 180 . 1 1 32 32 HIS HB2 H 1 3.180 0.020 . 2 . . . . 54 HIS HB2 . 25377 1 181 . 1 1 32 32 HIS HB3 H 1 3.073 0.020 . 2 . . . . 54 HIS HB3 . 25377 1 182 . 1 1 32 32 HIS HD2 H 1 5.188 0.020 . 1 . . . . 54 HIS HD2 . 25377 1 183 . 1 1 32 32 HIS HE1 H 1 7.628 0.020 . 1 . . . . 54 HIS HE1 . 25377 1 184 . 1 1 33 33 TYR HB2 H 1 2.910 0.020 . 2 . . . . 55 TYR HB2 . 25377 1 185 . 1 1 33 33 TYR HB3 H 1 2.717 0.020 . 2 . . . . 55 TYR HB3 . 25377 1 186 . 1 1 33 33 TYR HD1 H 1 7.057 0.020 . 1 . . . . 55 TYR HD1 . 25377 1 187 . 1 1 33 33 TYR HD2 H 1 7.057 0.020 . 1 . . . . 55 TYR HD2 . 25377 1 188 . 1 1 33 33 TYR HE1 H 1 6.873 0.020 . 1 . . . . 55 TYR HE1 . 25377 1 189 . 1 1 33 33 TYR HE2 H 1 6.873 0.020 . 1 . . . . 55 TYR HE2 . 25377 1 190 . 1 1 34 34 LEU HB2 H 1 1.917 0.020 . 2 . . . . 56 LEU HB2 . 25377 1 191 . 1 1 34 34 LEU HB3 H 1 1.720 0.020 . 2 . . . . 56 LEU HB3 . 25377 1 192 . 1 1 34 34 LEU HG H 1 1.710 0.020 . 1 . . . . 56 LEU HG . 25377 1 193 . 1 1 34 34 LEU HD11 H 1 0.783 0.020 . 2 . . . . 56 LEU HD1 . 25377 1 194 . 1 1 34 34 LEU HD12 H 1 0.783 0.020 . 2 . . . . 56 LEU HD1 . 25377 1 195 . 1 1 34 34 LEU HD13 H 1 0.783 0.020 . 2 . . . . 56 LEU HD1 . 25377 1 196 . 1 1 34 34 LEU HD21 H 1 0.706 0.020 . 2 . . . . 56 LEU HD2 . 25377 1 197 . 1 1 34 34 LEU HD22 H 1 0.706 0.020 . 2 . . . . 56 LEU HD2 . 25377 1 198 . 1 1 34 34 LEU HD23 H 1 0.706 0.020 . 2 . . . . 56 LEU HD2 . 25377 1 199 . 1 1 36 36 GLN HB2 H 1 2.163 0.020 . 1 . . . . 58 GLN HB2 . 25377 1 200 . 1 1 36 36 GLN HB3 H 1 2.163 0.020 . 1 . . . . 58 GLN HB3 . 25377 1 201 . 1 1 36 36 GLN HG2 H 1 2.021 0.020 . 1 . . . . 58 GLN HG2 . 25377 1 202 . 1 1 36 36 GLN HG3 H 1 2.021 0.020 . 1 . . . . 58 GLN HG3 . 25377 1 203 . 1 1 36 36 GLN HE21 H 1 7.519 0.020 . 1 . . . . 58 GLN HE21 . 25377 1 204 . 1 1 36 36 GLN HE22 H 1 6.834 0.020 . 1 . . . . 58 GLN HE22 . 25377 1 205 . 1 1 37 37 TYR HB2 H 1 3.224 0.020 . 2 . . . . 59 TYR HB2 . 25377 1 206 . 1 1 37 37 TYR HB3 H 1 2.968 0.020 . 2 . . . . 59 TYR HB3 . 25377 1 207 . 1 1 37 37 TYR HD1 H 1 6.746 0.020 . 1 . . . . 59 TYR HD1 . 25377 1 208 . 1 1 37 37 TYR HD2 H 1 6.746 0.020 . 1 . . . . 59 TYR HD2 . 25377 1 209 . 1 1 37 37 TYR HE1 H 1 6.673 0.020 . 1 . . . . 59 TYR HE1 . 25377 1 210 . 1 1 37 37 TYR HE2 H 1 6.673 0.020 . 1 . . . . 59 TYR HE2 . 25377 1 211 . 1 1 38 38 ILE HB H 1 1.463 0.020 . 1 . . . . 60 ILE HB . 25377 1 212 . 1 1 38 38 ILE HG12 H 1 1.879 0.020 . 2 . . . . 60 ILE HG12 . 25377 1 213 . 1 1 38 38 ILE HG13 H 1 0.600 0.020 . 2 . . . . 60 ILE HG13 . 25377 1 214 . 1 1 38 38 ILE HG21 H 1 0.147 0.020 . 1 . . . . 60 ILE HG2 . 25377 1 215 . 1 1 38 38 ILE HG22 H 1 0.147 0.020 . 1 . . . . 60 ILE HG2 . 25377 1 216 . 1 1 38 38 ILE HG23 H 1 0.147 0.020 . 1 . . . . 60 ILE HG2 . 25377 1 217 . 1 1 38 38 ILE HD11 H 1 0.671 0.020 . 1 . . . . 60 ILE HD1 . 25377 1 218 . 1 1 38 38 ILE HD12 H 1 0.671 0.020 . 1 . . . . 60 ILE HD1 . 25377 1 219 . 1 1 38 38 ILE HD13 H 1 0.671 0.020 . 1 . . . . 60 ILE HD1 . 25377 1 220 . 1 1 39 39 MET HB2 H 1 2.645 0.020 . 2 . . . . 61 MET HB2 . 25377 1 221 . 1 1 39 39 MET HB3 H 1 2.377 0.020 . 2 . . . . 61 MET HB3 . 25377 1 222 . 1 1 39 39 MET HG2 H 1 2.131 0.020 . 1 . . . . 61 MET HG2 . 25377 1 223 . 1 1 39 39 MET HG3 H 1 2.131 0.020 . 1 . . . . 61 MET HG3 . 25377 1 224 . 1 1 39 39 MET HE1 H 1 1.707 0.020 . 1 . . . . 61 MET HE . 25377 1 225 . 1 1 39 39 MET HE2 H 1 1.707 0.020 . 1 . . . . 61 MET HE . 25377 1 226 . 1 1 39 39 MET HE3 H 1 1.707 0.020 . 1 . . . . 61 MET HE . 25377 1 227 . 1 1 40 40 VAL HB H 1 2.068 0.020 . 1 . . . . 62 VAL HB . 25377 1 228 . 1 1 40 40 VAL HG11 H 1 1.017 0.020 . 2 . . . . 62 VAL HG1 . 25377 1 229 . 1 1 40 40 VAL HG12 H 1 1.017 0.020 . 2 . . . . 62 VAL HG1 . 25377 1 230 . 1 1 40 40 VAL HG13 H 1 1.017 0.020 . 2 . . . . 62 VAL HG1 . 25377 1 231 . 1 1 40 40 VAL HG21 H 1 0.903 0.020 . 2 . . . . 62 VAL HG2 . 25377 1 232 . 1 1 40 40 VAL HG22 H 1 0.903 0.020 . 2 . . . . 62 VAL HG2 . 25377 1 233 . 1 1 40 40 VAL HG23 H 1 0.903 0.020 . 2 . . . . 62 VAL HG2 . 25377 1 234 . 1 1 41 41 LYS HB2 H 1 1.495 0.020 . 2 . . . . 63 LYS HB2 . 25377 1 235 . 1 1 41 41 LYS HB3 H 1 1.223 0.020 . 2 . . . . 63 LYS HB3 . 25377 1 236 . 1 1 41 41 LYS HG2 H 1 0.842 0.020 . 1 . . . . 63 LYS HG2 . 25377 1 237 . 1 1 41 41 LYS HG3 H 1 0.842 0.020 . 1 . . . . 63 LYS HG3 . 25377 1 238 . 1 1 41 41 LYS HD2 H 1 1.199 0.020 . 2 . . . . 63 LYS HD2 . 25377 1 239 . 1 1 41 41 LYS HD3 H 1 1.122 0.020 . 2 . . . . 63 LYS HD3 . 25377 1 240 . 1 1 41 41 LYS HE2 H 1 2.742 0.020 . 1 . . . . 63 LYS HE2 . 25377 1 241 . 1 1 41 41 LYS HE3 H 1 2.742 0.020 . 1 . . . . 63 LYS HE3 . 25377 1 242 . 1 1 41 41 LYS HZ1 H 1 6.676 0.020 . 1 . . . . 63 LYS HZ . 25377 1 243 . 1 1 41 41 LYS HZ2 H 1 6.676 0.020 . 1 . . . . 63 LYS HZ . 25377 1 244 . 1 1 41 41 LYS HZ3 H 1 6.676 0.020 . 1 . . . . 63 LYS HZ . 25377 1 245 . 1 1 42 42 GLN HB2 H 1 1.916 0.020 . 1 . . . . 64 GLN HB2 . 25377 1 246 . 1 1 42 42 GLN HB3 H 1 1.916 0.020 . 1 . . . . 64 GLN HB3 . 25377 1 247 . 1 1 42 42 GLN HG2 H 1 2.061 0.020 . 1 . . . . 64 GLN HG2 . 25377 1 248 . 1 1 42 42 GLN HG3 H 1 2.061 0.020 . 1 . . . . 64 GLN HG3 . 25377 1 249 . 1 1 42 42 GLN HE21 H 1 7.509 0.020 . 1 . . . . 64 GLN HE21 . 25377 1 250 . 1 1 42 42 GLN HE22 H 1 6.605 0.020 . 1 . . . . 64 GLN HE22 . 25377 1 251 . 1 1 43 43 LEU HB2 H 1 1.655 0.020 . 2 . . . . 65 LEU HB2 . 25377 1 252 . 1 1 43 43 LEU HB3 H 1 1.284 0.020 . 2 . . . . 65 LEU HB3 . 25377 1 253 . 1 1 43 43 LEU HG H 1 1.282 0.020 . 1 . . . . 65 LEU HG . 25377 1 254 . 1 1 43 43 LEU HD11 H 1 0.704 0.020 . 1 . . . . 65 LEU HD1 . 25377 1 255 . 1 1 43 43 LEU HD12 H 1 0.704 0.020 . 1 . . . . 65 LEU HD1 . 25377 1 256 . 1 1 43 43 LEU HD13 H 1 0.704 0.020 . 1 . . . . 65 LEU HD1 . 25377 1 257 . 1 1 43 43 LEU HD21 H 1 0.704 0.020 . 1 . . . . 65 LEU HD2 . 25377 1 258 . 1 1 43 43 LEU HD22 H 1 0.704 0.020 . 1 . . . . 65 LEU HD2 . 25377 1 259 . 1 1 43 43 LEU HD23 H 1 0.704 0.020 . 1 . . . . 65 LEU HD2 . 25377 1 260 . 1 1 44 44 TYR HB2 H 1 3.049 0.020 . 2 . . . . 66 TYR HB2 . 25377 1 261 . 1 1 44 44 TYR HB3 H 1 1.839 0.020 . 2 . . . . 66 TYR HB3 . 25377 1 262 . 1 1 44 44 TYR HD1 H 1 6.298 0.020 . 1 . . . . 66 TYR HD1 . 25377 1 263 . 1 1 44 44 TYR HD2 H 1 6.298 0.020 . 1 . . . . 66 TYR HD2 . 25377 1 264 . 1 1 44 44 TYR HE1 H 1 6.643 0.020 . 1 . . . . 66 TYR HE1 . 25377 1 265 . 1 1 44 44 TYR HE2 H 1 6.643 0.020 . 1 . . . . 66 TYR HE2 . 25377 1 266 . 1 1 45 45 ASP HB2 H 1 3.329 0.020 . 2 . . . . 67 ASP HB2 . 25377 1 267 . 1 1 45 45 ASP HB3 H 1 2.447 0.020 . 2 . . . . 67 ASP HB3 . 25377 1 268 . 1 1 46 46 GLN HB2 H 1 2.078 0.020 . 2 . . . . 68 GLN HB2 . 25377 1 269 . 1 1 46 46 GLN HB3 H 1 1.963 0.020 . 2 . . . . 68 GLN HB3 . 25377 1 270 . 1 1 46 46 GLN HG2 H 1 2.360 0.020 . 1 . . . . 68 GLN HG2 . 25377 1 271 . 1 1 46 46 GLN HG3 H 1 2.360 0.020 . 1 . . . . 68 GLN HG3 . 25377 1 272 . 1 1 46 46 GLN HE21 H 1 7.446 0.020 . 1 . . . . 68 GLN HE21 . 25377 1 273 . 1 1 46 46 GLN HE22 H 1 6.590 0.020 . 1 . . . . 68 GLN HE22 . 25377 1 274 . 1 1 47 47 GLN HB2 H 1 2.159 0.020 . 2 . . . . 69 GLN HB2 . 25377 1 275 . 1 1 47 47 GLN HB3 H 1 2.066 0.020 . 2 . . . . 69 GLN HB3 . 25377 1 276 . 1 1 47 47 GLN HG2 H 1 2.351 0.020 . 1 . . . . 69 GLN HG2 . 25377 1 277 . 1 1 47 47 GLN HG3 H 1 2.351 0.020 . 1 . . . . 69 GLN HG3 . 25377 1 278 . 1 1 47 47 GLN HE21 H 1 7.621 0.020 . 1 . . . . 69 GLN HE21 . 25377 1 279 . 1 1 47 47 GLN HE22 H 1 6.804 0.020 . 1 . . . . 69 GLN HE22 . 25377 1 280 . 1 1 48 48 GLU HB2 H 1 1.762 0.020 . 1 . . . . 70 GLU HB2 . 25377 1 281 . 1 1 48 48 GLU HB3 H 1 1.762 0.020 . 1 . . . . 70 GLU HB3 . 25377 1 282 . 1 1 48 48 GLU HG2 H 1 2.163 0.020 . 2 . . . . 70 GLU HG2 . 25377 1 283 . 1 1 48 48 GLU HG3 H 1 2.021 0.020 . 2 . . . . 70 GLU HG3 . 25377 1 284 . 1 1 49 49 GLN HB2 H 1 2.282 0.020 . 2 . . . . 71 GLN HB2 . 25377 1 285 . 1 1 49 49 GLN HB3 H 1 1.714 0.020 . 2 . . . . 71 GLN HB3 . 25377 1 286 . 1 1 49 49 GLN HG2 H 1 3.035 0.020 . 2 . . . . 71 GLN HG2 . 25377 1 287 . 1 1 49 49 GLN HG3 H 1 2.653 0.020 . 2 . . . . 71 GLN HG3 . 25377 1 288 . 1 1 49 49 GLN HE21 H 1 7.735 0.020 . 1 . . . . 71 GLN HE21 . 25377 1 289 . 1 1 49 49 GLN HE22 H 1 6.861 0.020 . 1 . . . . 71 GLN HE22 . 25377 1 290 . 1 1 50 50 HIS HB2 H 1 3.048 0.020 . 2 . . . . 72 HIS HB2 . 25377 1 291 . 1 1 50 50 HIS HB3 H 1 2.762 0.020 . 2 . . . . 72 HIS HB3 . 25377 1 292 . 1 1 50 50 HIS HD2 H 1 7.270 0.020 . 1 . . . . 72 HIS HD2 . 25377 1 293 . 1 1 50 50 HIS HE1 H 1 7.744 0.020 . 1 . . . . 72 HIS HE1 . 25377 1 294 . 1 1 51 51 MET HB2 H 1 1.924 0.020 . 2 . . . . 73 MET HB2 . 25377 1 295 . 1 1 51 51 MET HB3 H 1 1.474 0.020 . 2 . . . . 73 MET HB3 . 25377 1 296 . 1 1 51 51 MET HG2 H 1 1.400 0.020 . 1 . . . . 73 MET HG2 . 25377 1 297 . 1 1 51 51 MET HG3 H 1 1.400 0.020 . 1 . . . . 73 MET HG3 . 25377 1 298 . 1 1 51 51 MET HE1 H 1 1.667 0.020 . 1 . . . . 73 MET HE . 25377 1 299 . 1 1 51 51 MET HE2 H 1 1.667 0.020 . 1 . . . . 73 MET HE . 25377 1 300 . 1 1 51 51 MET HE3 H 1 1.667 0.020 . 1 . . . . 73 MET HE . 25377 1 301 . 1 1 52 52 VAL HB H 1 0.887 0.020 . 1 . . . . 74 VAL HB . 25377 1 302 . 1 1 52 52 VAL HG11 H 1 0.478 0.020 . 2 . . . . 74 VAL HG1 . 25377 1 303 . 1 1 52 52 VAL HG12 H 1 0.478 0.020 . 2 . . . . 74 VAL HG1 . 25377 1 304 . 1 1 52 52 VAL HG13 H 1 0.478 0.020 . 2 . . . . 74 VAL HG1 . 25377 1 305 . 1 1 52 52 VAL HG21 H 1 0.378 0.020 . 2 . . . . 74 VAL HG2 . 25377 1 306 . 1 1 52 52 VAL HG22 H 1 0.378 0.020 . 2 . . . . 74 VAL HG2 . 25377 1 307 . 1 1 52 52 VAL HG23 H 1 0.378 0.020 . 2 . . . . 74 VAL HG2 . 25377 1 308 . 1 1 53 53 TYR HB2 H 1 3.116 0.020 . 2 . . . . 75 TYR HB2 . 25377 1 309 . 1 1 53 53 TYR HB3 H 1 2.768 0.020 . 2 . . . . 75 TYR HB3 . 25377 1 310 . 1 1 53 53 TYR HD1 H 1 6.993 0.020 . 1 . . . . 75 TYR HD1 . 25377 1 311 . 1 1 53 53 TYR HD2 H 1 6.993 0.020 . 1 . . . . 75 TYR HD2 . 25377 1 312 . 1 1 53 53 TYR HE1 H 1 6.723 0.020 . 1 . . . . 75 TYR HE1 . 25377 1 313 . 1 1 53 53 TYR HE2 H 1 6.723 0.020 . 1 . . . . 75 TYR HE2 . 25377 1 314 . 1 1 54 54 CYS HB2 H 1 3.234 0.020 . 2 . . . . 76 CYS HB2 . 25377 1 315 . 1 1 54 54 CYS HB3 H 1 2.227 0.020 . 2 . . . . 76 CYS HB3 . 25377 1 316 . 1 1 57 57 ASP HB2 H 1 2.567 0.020 . 2 . . . . 79 ASP HB2 . 25377 1 317 . 1 1 57 57 ASP HB3 H 1 2.400 0.020 . 2 . . . . 79 ASP HB3 . 25377 1 318 . 1 1 58 58 LEU HB2 H 1 1.603 0.020 . 2 . . . . 80 LEU HB2 . 25377 1 319 . 1 1 58 58 LEU HB3 H 1 1.477 0.020 . 2 . . . . 80 LEU HB3 . 25377 1 320 . 1 1 58 58 LEU HG H 1 1.582 0.020 . 1 . . . . 80 LEU HG . 25377 1 321 . 1 1 58 58 LEU HD11 H 1 0.849 0.020 . 1 . . . . 80 LEU HD1 . 25377 1 322 . 1 1 58 58 LEU HD12 H 1 0.849 0.020 . 1 . . . . 80 LEU HD1 . 25377 1 323 . 1 1 58 58 LEU HD13 H 1 0.849 0.020 . 1 . . . . 80 LEU HD1 . 25377 1 324 . 1 1 58 58 LEU HD21 H 1 0.849 0.020 . 1 . . . . 80 LEU HD2 . 25377 1 325 . 1 1 58 58 LEU HD22 H 1 0.849 0.020 . 1 . . . . 80 LEU HD2 . 25377 1 326 . 1 1 58 58 LEU HD23 H 1 0.849 0.020 . 1 . . . . 80 LEU HD2 . 25377 1 327 . 1 1 59 59 LEU HB2 H 1 1.744 0.020 . 2 . . . . 81 LEU HB2 . 25377 1 328 . 1 1 59 59 LEU HB3 H 1 1.481 0.020 . 2 . . . . 81 LEU HB3 . 25377 1 329 . 1 1 59 59 LEU HG H 1 1.630 0.020 . 1 . . . . 81 LEU HG . 25377 1 330 . 1 1 59 59 LEU HD11 H 1 0.845 0.020 . 2 . . . . 81 LEU HD1 . 25377 1 331 . 1 1 59 59 LEU HD12 H 1 0.845 0.020 . 2 . . . . 81 LEU HD1 . 25377 1 332 . 1 1 59 59 LEU HD13 H 1 0.845 0.020 . 2 . . . . 81 LEU HD1 . 25377 1 333 . 1 1 59 59 LEU HD21 H 1 0.706 0.020 . 2 . . . . 81 LEU HD2 . 25377 1 334 . 1 1 59 59 LEU HD22 H 1 0.706 0.020 . 2 . . . . 81 LEU HD2 . 25377 1 335 . 1 1 59 59 LEU HD23 H 1 0.706 0.020 . 2 . . . . 81 LEU HD2 . 25377 1 336 . 1 1 61 61 GLU HB2 H 1 2.085 0.020 . 1 . . . . 83 GLU HB2 . 25377 1 337 . 1 1 61 61 GLU HB3 H 1 2.085 0.020 . 1 . . . . 83 GLU HB3 . 25377 1 338 . 1 1 61 61 GLU HG2 H 1 2.238 0.020 . 2 . . . . 83 GLU HG2 . 25377 1 339 . 1 1 61 61 GLU HG3 H 1 2.109 0.020 . 2 . . . . 83 GLU HG3 . 25377 1 340 . 1 1 62 62 LEU HB2 H 1 1.605 0.020 . 2 . . . . 84 LEU HB2 . 25377 1 341 . 1 1 62 62 LEU HB3 H 1 1.507 0.020 . 2 . . . . 84 LEU HB3 . 25377 1 342 . 1 1 62 62 LEU HG H 1 1.488 0.020 . 1 . . . . 84 LEU HG . 25377 1 343 . 1 1 62 62 LEU HD11 H 1 0.671 0.020 . 2 . . . . 84 LEU HD1 . 25377 1 344 . 1 1 62 62 LEU HD12 H 1 0.671 0.020 . 2 . . . . 84 LEU HD1 . 25377 1 345 . 1 1 62 62 LEU HD13 H 1 0.671 0.020 . 2 . . . . 84 LEU HD1 . 25377 1 346 . 1 1 62 62 LEU HD21 H 1 0.671 0.020 . 1 . . . . 84 LEU HD2 . 25377 1 347 . 1 1 62 62 LEU HD22 H 1 0.671 0.020 . 1 . . . . 84 LEU HD2 . 25377 1 348 . 1 1 62 62 LEU HD23 H 1 0.671 0.020 . 1 . . . . 84 LEU HD2 . 25377 1 349 . 1 1 63 63 LEU HB2 H 1 1.759 0.020 . 2 . . . . 85 LEU HB2 . 25377 1 350 . 1 1 63 63 LEU HB3 H 1 1.213 0.020 . 2 . . . . 85 LEU HB3 . 25377 1 351 . 1 1 63 63 LEU HG H 1 1.582 0.020 . 1 . . . . 85 LEU HG . 25377 1 352 . 1 1 63 63 LEU HD11 H 1 0.467 0.020 . 2 . . . . 85 LEU HD1 . 25377 1 353 . 1 1 63 63 LEU HD12 H 1 0.467 0.020 . 2 . . . . 85 LEU HD1 . 25377 1 354 . 1 1 63 63 LEU HD13 H 1 0.467 0.020 . 2 . . . . 85 LEU HD1 . 25377 1 355 . 1 1 63 63 LEU HD21 H 1 0.394 0.020 . 2 . . . . 85 LEU HD2 . 25377 1 356 . 1 1 63 63 LEU HD22 H 1 0.394 0.020 . 2 . . . . 85 LEU HD2 . 25377 1 357 . 1 1 63 63 LEU HD23 H 1 0.394 0.020 . 2 . . . . 85 LEU HD2 . 25377 1 358 . 1 1 65 65 ARG HB2 H 1 2.128 0.020 . 2 . . . . 87 ARG HB2 . 25377 1 359 . 1 1 65 65 ARG HB3 H 1 1.472 0.020 . 2 . . . . 87 ARG HB3 . 25377 1 360 . 1 1 65 65 ARG HG2 H 1 1.527 0.020 . 2 . . . . 87 ARG HG2 . 25377 1 361 . 1 1 65 65 ARG HG3 H 1 1.383 0.020 . 2 . . . . 87 ARG HG3 . 25377 1 362 . 1 1 65 65 ARG HD2 H 1 3.258 0.020 . 1 . . . . 87 ARG HD2 . 25377 1 363 . 1 1 65 65 ARG HD3 H 1 3.258 0.020 . 1 . . . . 87 ARG HD3 . 25377 1 364 . 1 1 65 65 ARG HE H 1 6.775 0.020 . 1 . . . . 87 ARG HE . 25377 1 365 . 1 1 66 66 GLN HB2 H 1 2.223 0.020 . 2 . . . . 88 GLN HB2 . 25377 1 366 . 1 1 66 66 GLN HB3 H 1 2.037 0.020 . 2 . . . . 88 GLN HB3 . 25377 1 367 . 1 1 66 66 GLN HG2 H 1 2.371 0.020 . 1 . . . . 88 GLN HG2 . 25377 1 368 . 1 1 66 66 GLN HG3 H 1 2.371 0.020 . 1 . . . . 88 GLN HG3 . 25377 1 369 . 1 1 67 67 SER HB2 H 1 3.881 0.020 . 2 . . . . 89 SER HB2 . 25377 1 370 . 1 1 67 67 SER HB3 H 1 3.350 0.020 . 2 . . . . 89 SER HB3 . 25377 1 371 . 1 1 68 68 PHE HB2 H 1 3.320 0.020 . 2 . . . . 90 PHE HB2 . 25377 1 372 . 1 1 68 68 PHE HB3 H 1 2.902 0.020 . 2 . . . . 90 PHE HB3 . 25377 1 373 . 1 1 68 68 PHE HD1 H 1 6.907 0.020 . 1 . . . . 90 PHE HD1 . 25377 1 374 . 1 1 68 68 PHE HD2 H 1 6.907 0.020 . 1 . . . . 90 PHE HD2 . 25377 1 375 . 1 1 68 68 PHE HE1 H 1 6.986 0.020 . 1 . . . . 90 PHE HE1 . 25377 1 376 . 1 1 68 68 PHE HE2 H 1 6.986 0.020 . 1 . . . . 90 PHE HE2 . 25377 1 377 . 1 1 68 68 PHE HZ H 1 7.152 0.020 . 1 . . . . 90 PHE HZ . 25377 1 378 . 1 1 69 69 SER HB2 H 1 4.103 0.020 . 2 . . . . 91 SER HB2 . 25377 1 379 . 1 1 69 69 SER HB3 H 1 3.624 0.020 . 2 . . . . 91 SER HB3 . 25377 1 380 . 1 1 70 70 VAL HB H 1 2.092 0.020 . 1 . . . . 92 VAL HB . 25377 1 381 . 1 1 70 70 VAL HG11 H 1 1.271 0.020 . 2 . . . . 92 VAL HG1 . 25377 1 382 . 1 1 70 70 VAL HG12 H 1 1.271 0.020 . 2 . . . . 92 VAL HG1 . 25377 1 383 . 1 1 70 70 VAL HG13 H 1 1.271 0.020 . 2 . . . . 92 VAL HG1 . 25377 1 384 . 1 1 70 70 VAL HG21 H 1 1.071 0.020 . 2 . . . . 92 VAL HG2 . 25377 1 385 . 1 1 70 70 VAL HG22 H 1 1.071 0.020 . 2 . . . . 92 VAL HG2 . 25377 1 386 . 1 1 70 70 VAL HG23 H 1 1.071 0.020 . 2 . . . . 92 VAL HG2 . 25377 1 387 . 1 1 71 71 LYS HB2 H 1 1.825 0.020 . 2 . . . . 93 LYS HB2 . 25377 1 388 . 1 1 71 71 LYS HB3 H 1 1.358 0.020 . 2 . . . . 93 LYS HB3 . 25377 1 389 . 1 1 71 71 LYS HG2 H 1 1.202 0.020 . 2 . . . . 93 LYS HG2 . 25377 1 390 . 1 1 71 71 LYS HG3 H 1 1.046 0.020 . 2 . . . . 93 LYS HG3 . 25377 1 391 . 1 1 71 71 LYS HD2 H 1 1.286 0.020 . 2 . . . . 93 LYS HD2 . 25377 1 392 . 1 1 71 71 LYS HD3 H 1 1.059 0.020 . 2 . . . . 93 LYS HD3 . 25377 1 393 . 1 1 71 71 LYS HE2 H 1 2.405 0.020 . 1 . . . . 93 LYS HE2 . 25377 1 394 . 1 1 71 71 LYS HE3 H 1 2.405 0.020 . 1 . . . . 93 LYS HE3 . 25377 1 395 . 1 1 71 71 LYS HZ1 H 1 7.097 0.020 . 1 . . . . 93 LYS HZ . 25377 1 396 . 1 1 71 71 LYS HZ2 H 1 7.097 0.020 . 1 . . . . 93 LYS HZ . 25377 1 397 . 1 1 71 71 LYS HZ3 H 1 7.097 0.020 . 1 . . . . 93 LYS HZ . 25377 1 398 . 1 1 72 72 ASP HB2 H 1 2.810 0.020 . 2 . . . . 94 ASP HB2 . 25377 1 399 . 1 1 72 72 ASP HB3 H 1 2.476 0.020 . 2 . . . . 94 ASP HB3 . 25377 1 400 . 1 1 73 73 PRO HB2 H 1 2.043 0.020 . 1 . . . . 95 PRO HB2 . 25377 1 401 . 1 1 73 73 PRO HB3 H 1 2.043 0.020 . 1 . . . . 95 PRO HB3 . 25377 1 402 . 1 1 73 73 PRO HG2 H 1 1.971 0.020 . 2 . . . . 95 PRO HG2 . 25377 1 403 . 1 1 73 73 PRO HG3 H 1 1.874 0.020 . 2 . . . . 95 PRO HG3 . 25377 1 404 . 1 1 73 73 PRO HD2 H 1 3.702 0.020 . 2 . . . . 95 PRO HD2 . 25377 1 405 . 1 1 73 73 PRO HD3 H 1 3.323 0.020 . 2 . . . . 95 PRO HD3 . 25377 1 406 . 1 1 74 74 SER HB2 H 1 4.021 0.020 . 1 . . . . 96 SER HB2 . 25377 1 407 . 1 1 74 74 SER HB3 H 1 4.021 0.020 . 1 . . . . 96 SER HB3 . 25377 1 408 . 1 1 75 75 PRO HB2 H 1 2.276 0.020 . 2 . . . . 97 PRO HB2 . 25377 1 409 . 1 1 75 75 PRO HB3 H 1 1.245 0.020 . 2 . . . . 97 PRO HB3 . 25377 1 410 . 1 1 75 75 PRO HG2 H 1 2.043 0.020 . 2 . . . . 97 PRO HG2 . 25377 1 411 . 1 1 75 75 PRO HG3 H 1 1.872 0.020 . 2 . . . . 97 PRO HG3 . 25377 1 412 . 1 1 75 75 PRO HD2 H 1 3.894 0.020 . 2 . . . . 97 PRO HD2 . 25377 1 413 . 1 1 75 75 PRO HD3 H 1 3.797 0.020 . 2 . . . . 97 PRO HD3 . 25377 1 414 . 1 1 76 76 LEU HB2 H 1 1.540 0.020 . 2 . . . . 98 LEU HB2 . 25377 1 415 . 1 1 76 76 LEU HB3 H 1 0.860 0.020 . 2 . . . . 98 LEU HB3 . 25377 1 416 . 1 1 76 76 LEU HG H 1 1.065 0.020 . 1 . . . . 98 LEU HG . 25377 1 417 . 1 1 76 76 LEU HD11 H 1 0.521 0.020 . 2 . . . . 98 LEU HD1 . 25377 1 418 . 1 1 76 76 LEU HD12 H 1 0.521 0.020 . 2 . . . . 98 LEU HD1 . 25377 1 419 . 1 1 76 76 LEU HD13 H 1 0.521 0.020 . 2 . . . . 98 LEU HD1 . 25377 1 420 . 1 1 76 76 LEU HD21 H 1 0.662 0.020 . 2 . . . . 98 LEU HD2 . 25377 1 421 . 1 1 76 76 LEU HD22 H 1 0.662 0.020 . 2 . . . . 98 LEU HD2 . 25377 1 422 . 1 1 76 76 LEU HD23 H 1 0.662 0.020 . 2 . . . . 98 LEU HD2 . 25377 1 423 . 1 1 77 77 TYR HB2 H 1 3.099 0.020 . 2 . . . . 99 TYR HB2 . 25377 1 424 . 1 1 77 77 TYR HB3 H 1 2.810 0.020 . 2 . . . . 99 TYR HB3 . 25377 1 425 . 1 1 77 77 TYR HD1 H 1 7.023 0.020 . 1 . . . . 99 TYR HD1 . 25377 1 426 . 1 1 77 77 TYR HD2 H 1 7.023 0.020 . 1 . . . . 99 TYR HD2 . 25377 1 427 . 1 1 77 77 TYR HE1 H 1 6.753 0.020 . 1 . . . . 99 TYR HE1 . 25377 1 428 . 1 1 77 77 TYR HE2 H 1 6.753 0.020 . 1 . . . . 99 TYR HE2 . 25377 1 429 . 1 1 78 78 ASP HB2 H 1 2.616 0.020 . 2 . . . . 100 ASP HB2 . 25377 1 430 . 1 1 78 78 ASP HB3 H 1 2.556 0.020 . 2 . . . . 100 ASP HB3 . 25377 1 431 . 1 1 79 79 MET HB2 H 1 2.294 0.020 . 2 . . . . 101 MET HB2 . 25377 1 432 . 1 1 79 79 MET HB3 H 1 2.097 0.020 . 2 . . . . 101 MET HB3 . 25377 1 433 . 1 1 79 79 MET HG2 H 1 2.196 0.020 . 1 . . . . 101 MET HG2 . 25377 1 434 . 1 1 79 79 MET HG3 H 1 2.196 0.020 . 1 . . . . 101 MET HG3 . 25377 1 435 . 1 1 79 79 MET HE1 H 1 1.702 0.020 . 1 . . . . 101 MET HE . 25377 1 436 . 1 1 79 79 MET HE2 H 1 1.702 0.020 . 1 . . . . 101 MET HE . 25377 1 437 . 1 1 79 79 MET HE3 H 1 1.702 0.020 . 1 . . . . 101 MET HE . 25377 1 438 . 1 1 80 80 LEU HB2 H 1 1.916 0.020 . 2 . . . . 102 LEU HB2 . 25377 1 439 . 1 1 80 80 LEU HB3 H 1 1.346 0.020 . 2 . . . . 102 LEU HB3 . 25377 1 440 . 1 1 80 80 LEU HG H 1 1.702 0.020 . 1 . . . . 102 LEU HG . 25377 1 441 . 1 1 80 80 LEU HD11 H 1 0.671 0.020 . 2 . . . . 102 LEU HD1 . 25377 1 442 . 1 1 80 80 LEU HD12 H 1 0.671 0.020 . 2 . . . . 102 LEU HD1 . 25377 1 443 . 1 1 80 80 LEU HD13 H 1 0.671 0.020 . 2 . . . . 102 LEU HD1 . 25377 1 444 . 1 1 80 80 LEU HD21 H 1 0.653 0.020 . 2 . . . . 102 LEU HD2 . 25377 1 445 . 1 1 80 80 LEU HD22 H 1 0.653 0.020 . 2 . . . . 102 LEU HD2 . 25377 1 446 . 1 1 80 80 LEU HD23 H 1 0.653 0.020 . 2 . . . . 102 LEU HD2 . 25377 1 447 . 1 1 81 81 ARG HB2 H 1 1.979 0.020 . 2 . . . . 103 ARG HB2 . 25377 1 448 . 1 1 81 81 ARG HB3 H 1 1.920 0.020 . 2 . . . . 103 ARG HB3 . 25377 1 449 . 1 1 81 81 ARG HG2 H 1 1.797 0.020 . 2 . . . . 103 ARG HG2 . 25377 1 450 . 1 1 81 81 ARG HG3 H 1 1.663 0.020 . 2 . . . . 103 ARG HG3 . 25377 1 451 . 1 1 81 81 ARG HD2 H 1 3.204 0.020 . 1 . . . . 103 ARG HD2 . 25377 1 452 . 1 1 81 81 ARG HD3 H 1 3.204 0.020 . 1 . . . . 103 ARG HD3 . 25377 1 453 . 1 1 81 81 ARG HE H 1 7.208 0.020 . 1 . . . . 103 ARG HE . 25377 1 454 . 1 1 82 82 LYS HB2 H 1 1.879 0.020 . 2 . . . . 104 LYS HB2 . 25377 1 455 . 1 1 82 82 LYS HB3 H 1 1.732 0.020 . 2 . . . . 104 LYS HB3 . 25377 1 456 . 1 1 82 82 LYS HG2 H 1 1.548 0.020 . 2 . . . . 104 LYS HG2 . 25377 1 457 . 1 1 82 82 LYS HG3 H 1 1.410 0.020 . 2 . . . . 104 LYS HG3 . 25377 1 458 . 1 1 82 82 LYS HD2 H 1 1.750 0.020 . 1 . . . . 104 LYS HD2 . 25377 1 459 . 1 1 82 82 LYS HD3 H 1 1.750 0.020 . 1 . . . . 104 LYS HD3 . 25377 1 460 . 1 1 82 82 LYS HE2 H 1 2.890 0.020 . 2 . . . . 104 LYS HE2 . 25377 1 461 . 1 1 82 82 LYS HE3 H 1 2.803 0.020 . 2 . . . . 104 LYS HE3 . 25377 1 462 . 1 1 83 83 ASN HB2 H 1 2.721 0.020 . 2 . . . . 105 ASN HB2 . 25377 1 463 . 1 1 83 83 ASN HB3 H 1 2.423 0.020 . 2 . . . . 105 ASN HB3 . 25377 1 464 . 1 1 83 83 ASN HD21 H 1 7.569 0.020 . 1 . . . . 105 ASN HD21 . 25377 1 465 . 1 1 83 83 ASN HD22 H 1 7.099 0.020 . 1 . . . . 105 ASN HD22 . 25377 1 466 . 1 1 84 84 LEU HB2 H 1 1.968 0.020 . 2 . . . . 106 LEU HB2 . 25377 1 467 . 1 1 84 84 LEU HB3 H 1 0.902 0.020 . 2 . . . . 106 LEU HB3 . 25377 1 468 . 1 1 84 84 LEU HG H 1 1.861 0.020 . 1 . . . . 106 LEU HG . 25377 1 469 . 1 1 84 84 LEU HD11 H 1 0.712 0.020 . 2 . . . . 106 LEU HD1 . 25377 1 470 . 1 1 84 84 LEU HD12 H 1 0.712 0.020 . 2 . . . . 106 LEU HD1 . 25377 1 471 . 1 1 84 84 LEU HD13 H 1 0.712 0.020 . 2 . . . . 106 LEU HD1 . 25377 1 472 . 1 1 84 84 LEU HD21 H 1 0.688 0.020 . 2 . . . . 106 LEU HD2 . 25377 1 473 . 1 1 84 84 LEU HD22 H 1 0.688 0.020 . 2 . . . . 106 LEU HD2 . 25377 1 474 . 1 1 84 84 LEU HD23 H 1 0.688 0.020 . 2 . . . . 106 LEU HD2 . 25377 1 475 . 1 1 85 85 VAL HB H 1 2.175 0.020 . 1 . . . . 107 VAL HB . 25377 1 476 . 1 1 85 85 VAL HG11 H 1 0.879 0.020 . 2 . . . . 107 VAL HG1 . 25377 1 477 . 1 1 85 85 VAL HG12 H 1 0.879 0.020 . 2 . . . . 107 VAL HG1 . 25377 1 478 . 1 1 85 85 VAL HG13 H 1 0.879 0.020 . 2 . . . . 107 VAL HG1 . 25377 1 479 . 1 1 85 85 VAL HG21 H 1 0.921 0.020 . 2 . . . . 107 VAL HG2 . 25377 1 480 . 1 1 85 85 VAL HG22 H 1 0.921 0.020 . 2 . . . . 107 VAL HG2 . 25377 1 481 . 1 1 85 85 VAL HG23 H 1 0.921 0.020 . 2 . . . . 107 VAL HG2 . 25377 1 482 . 1 1 86 86 THR HB H 1 4.122 0.020 . 1 . . . . 108 THR HB . 25377 1 483 . 1 1 86 86 THR HG21 H 1 1.175 0.020 . 1 . . . . 108 THR HG2 . 25377 1 484 . 1 1 86 86 THR HG22 H 1 1.175 0.020 . 1 . . . . 108 THR HG2 . 25377 1 485 . 1 1 86 86 THR HG23 H 1 1.175 0.020 . 1 . . . . 108 THR HG2 . 25377 1 486 . 1 1 87 87 LEU HB2 H 1 1.547 0.020 . 1 . . . . 109 LEU HB2 . 25377 1 487 . 1 1 87 87 LEU HB3 H 1 1.547 0.020 . 1 . . . . 109 LEU HB3 . 25377 1 488 . 1 1 87 87 LEU HG H 1 1.587 0.020 . 1 . . . . 109 LEU HG . 25377 1 489 . 1 1 87 87 LEU HD11 H 1 0.798 0.020 . 2 . . . . 109 LEU HD1 . 25377 1 490 . 1 1 87 87 LEU HD12 H 1 0.798 0.020 . 2 . . . . 109 LEU HD1 . 25377 1 491 . 1 1 87 87 LEU HD13 H 1 0.798 0.020 . 2 . . . . 109 LEU HD1 . 25377 1 492 . 1 1 87 87 LEU HD21 H 1 0.788 0.020 . 2 . . . . 109 LEU HD2 . 25377 1 493 . 1 1 87 87 LEU HD22 H 1 0.788 0.020 . 2 . . . . 109 LEU HD2 . 25377 1 494 . 1 1 87 87 LEU HD23 H 1 0.788 0.020 . 2 . . . . 109 LEU HD2 . 25377 1 495 . 1 1 88 88 ALA HB1 H 1 1.341 0.020 . 1 . . . . 110 ALA HB . 25377 1 496 . 1 1 88 88 ALA HB2 H 1 1.341 0.020 . 1 . . . . 110 ALA HB . 25377 1 497 . 1 1 88 88 ALA HB3 H 1 1.341 0.020 . 1 . . . . 110 ALA HB . 25377 1 498 . 1 1 89 89 THR HB H 1 4.176 0.020 . 1 . . . . 111 THR HB . 25377 1 499 . 1 1 89 89 THR HG21 H 1 1.092 0.020 . 1 . . . . 111 THR HG2 . 25377 1 500 . 1 1 89 89 THR HG22 H 1 1.092 0.020 . 1 . . . . 111 THR HG2 . 25377 1 501 . 1 1 89 89 THR HG23 H 1 1.092 0.020 . 1 . . . . 111 THR HG2 . 25377 1 502 . 2 2 1 1 SER HB2 H 1 3.945 0.020 . 1 . . . . 15 SER HB2 . 25377 1 503 . 2 2 1 1 SER HB3 H 1 3.945 0.020 . 1 . . . . 15 SER HB3 . 25377 1 504 . 2 2 2 2 GLN HB2 H 1 2.049 0.020 . 2 . . . . 16 GLN HB2 . 25377 1 505 . 2 2 2 2 GLN HB3 H 1 1.947 0.020 . 2 . . . . 16 GLN HB3 . 25377 1 506 . 2 2 2 2 GLN HG2 H 1 2.292 0.020 . 1 . . . . 16 GLN HG2 . 25377 1 507 . 2 2 2 2 GLN HG3 H 1 2.292 0.020 . 1 . . . . 16 GLN HG3 . 25377 1 508 . 2 2 2 2 GLN HE21 H 1 6.480 0.020 . 1 . . . . 16 GLN HE21 . 25377 1 509 . 2 2 2 2 GLN HE22 H 1 7.157 0.020 . 1 . . . . 16 GLN HE22 . 25377 1 510 . 2 2 3 3 GLU HB2 H 1 1.875 0.020 . 1 . . . . 17 GLU HB2 . 25377 1 511 . 2 2 3 3 GLU HB3 H 1 1.875 0.020 . 1 . . . . 17 GLU HB3 . 25377 1 512 . 2 2 3 3 GLU HG2 H 1 2.172 0.020 . 1 . . . . 17 GLU HG2 . 25377 1 513 . 2 2 3 3 GLU HG3 H 1 2.172 0.020 . 1 . . . . 17 GLU HG3 . 25377 1 514 . 2 2 4 4 THR HB H 1 4.065 0.020 . 1 . . . . 18 THR HB . 25377 1 515 . 2 2 4 4 THR HG21 H 1 1.179 0.020 . 1 . . . . 18 THR HG2 . 25377 1 516 . 2 2 4 4 THR HG22 H 1 1.179 0.020 . 1 . . . . 18 THR HG2 . 25377 1 517 . 2 2 4 4 THR HG23 H 1 1.179 0.020 . 1 . . . . 18 THR HG2 . 25377 1 518 . 2 2 5 5 PHE HB2 H 1 2.598 0.020 . 2 . . . . 19 PHE HB2 . 25377 1 519 . 2 2 5 5 PHE HB3 H 1 1.873 0.020 . 2 . . . . 19 PHE HB3 . 25377 1 520 . 2 2 5 5 PHE HD1 H 1 7.046 0.020 . 1 . . . . 19 PHE HD1 . 25377 1 521 . 2 2 5 5 PHE HD2 H 1 7.046 0.020 . 1 . . . . 19 PHE HD2 . 25377 1 522 . 2 2 5 5 PHE HE1 H 1 6.815 0.020 . 1 . . . . 19 PHE HE1 . 25377 1 523 . 2 2 5 5 PHE HE2 H 1 6.815 0.020 . 1 . . . . 19 PHE HE2 . 25377 1 524 . 2 2 5 5 PHE HZ H 1 6.349 0.020 . 1 . . . . 19 PHE HZ . 25377 1 525 . 2 2 6 6 SER HB2 H 1 3.785 0.020 . 2 . . . . 20 SER HB2 . 25377 1 526 . 2 2 6 6 SER HB3 H 1 3.652 0.020 . 2 . . . . 20 SER HB3 . 25377 1 527 . 2 2 7 7 ASP HB2 H 1 2.760 0.020 . 2 . . . . 21 ASP HB2 . 25377 1 528 . 2 2 7 7 ASP HB3 H 1 2.520 0.020 . 2 . . . . 21 ASP HB3 . 25377 1 529 . 2 2 8 8 LEU HB2 H 1 1.629 0.020 . 2 . . . . 22 LEU HB2 . 25377 1 530 . 2 2 8 8 LEU HB3 H 1 1.057 0.020 . 2 . . . . 22 LEU HB3 . 25377 1 531 . 2 2 8 8 LEU HG H 1 1.577 0.020 . 1 . . . . 22 LEU HG . 25377 1 532 . 2 2 8 8 LEU HD11 H 1 0.650 0.020 . 2 . . . . 22 LEU HD1 . 25377 1 533 . 2 2 8 8 LEU HD12 H 1 0.650 0.020 . 2 . . . . 22 LEU HD1 . 25377 1 534 . 2 2 8 8 LEU HD13 H 1 0.650 0.020 . 2 . . . . 22 LEU HD1 . 25377 1 535 . 2 2 8 8 LEU HD21 H 1 0.589 0.020 . 2 . . . . 22 LEU HD2 . 25377 1 536 . 2 2 8 8 LEU HD22 H 1 0.589 0.020 . 2 . . . . 22 LEU HD2 . 25377 1 537 . 2 2 8 8 LEU HD23 H 1 0.589 0.020 . 2 . . . . 22 LEU HD2 . 25377 1 538 . 2 2 9 9 TRP HB2 H 1 2.671 0.020 . 2 . . . . 23 TRP HB2 . 25377 1 539 . 2 2 9 9 TRP HB3 H 1 2.290 0.020 . 2 . . . . 23 TRP HB3 . 25377 1 540 . 2 2 9 9 TRP HD1 H 1 6.922 0.020 . 1 . . . . 23 TRP HD1 . 25377 1 541 . 2 2 9 9 TRP HE1 H 1 9.603 0.020 . 1 . . . . 23 TRP HE1 . 25377 1 542 . 2 2 9 9 TRP HE3 H 1 7.216 0.020 . 1 . . . . 23 TRP HE3 . 25377 1 543 . 2 2 9 9 TRP HZ2 H 1 7.531 0.020 . 1 . . . . 23 TRP HZ2 . 25377 1 544 . 2 2 9 9 TRP HZ3 H 1 6.881 0.020 . 1 . . . . 23 TRP HZ3 . 25377 1 545 . 2 2 9 9 TRP HH2 H 1 6.805 0.020 . 1 . . . . 23 TRP HH2 . 25377 1 546 . 2 2 10 10 LYS HB2 H 1 1.865 0.020 . 2 . . . . 24 LYS HB2 . 25377 1 547 . 2 2 10 10 LYS HB3 H 1 1.574 0.020 . 2 . . . . 24 LYS HB3 . 25377 1 548 . 2 2 10 10 LYS HG2 H 1 1.201 0.020 . 1 . . . . 24 LYS HG2 . 25377 1 549 . 2 2 10 10 LYS HG3 H 1 1.201 0.020 . 1 . . . . 24 LYS HG3 . 25377 1 550 . 2 2 10 10 LYS HD2 H 1 1.562 0.020 . 1 . . . . 24 LYS HD2 . 25377 1 551 . 2 2 10 10 LYS HD3 H 1 1.562 0.020 . 1 . . . . 24 LYS HD3 . 25377 1 552 . 2 2 10 10 LYS HE2 H 1 2.890 0.020 . 1 . . . . 24 LYS HE2 . 25377 1 553 . 2 2 10 10 LYS HE3 H 1 2.890 0.020 . 1 . . . . 24 LYS HE3 . 25377 1 554 . 2 2 11 11 LEU HB2 H 1 1.676 0.020 . 2 . . . . 25 LEU HB2 . 25377 1 555 . 2 2 11 11 LEU HB3 H 1 1.503 0.020 . 2 . . . . 25 LEU HB3 . 25377 1 556 . 2 2 11 11 LEU HG H 1 1.633 0.020 . 1 . . . . 25 LEU HG . 25377 1 557 . 2 2 11 11 LEU HD11 H 1 0.793 0.020 . 2 . . . . 25 LEU HD1 . 25377 1 558 . 2 2 11 11 LEU HD12 H 1 0.793 0.020 . 2 . . . . 25 LEU HD1 . 25377 1 559 . 2 2 11 11 LEU HD13 H 1 0.793 0.020 . 2 . . . . 25 LEU HD1 . 25377 1 560 . 2 2 11 11 LEU HD21 H 1 0.722 0.020 . 2 . . . . 25 LEU HD2 . 25377 1 561 . 2 2 11 11 LEU HD22 H 1 0.722 0.020 . 2 . . . . 25 LEU HD2 . 25377 1 562 . 2 2 11 11 LEU HD23 H 1 0.722 0.020 . 2 . . . . 25 LEU HD2 . 25377 1 563 . 2 2 12 12 LEU HB2 H 1 1.326 0.020 . 2 . . . . 26 LEU HB2 . 25377 1 564 . 2 2 12 12 LEU HB3 H 1 1.224 0.020 . 2 . . . . 26 LEU HB3 . 25377 1 565 . 2 2 12 12 LEU HG H 1 1.105 0.020 . 1 . . . . 26 LEU HG . 25377 1 566 . 2 2 12 12 LEU HD11 H 1 0.630 0.020 . 2 . . . . 26 LEU HD1 . 25377 1 567 . 2 2 12 12 LEU HD12 H 1 0.630 0.020 . 2 . . . . 26 LEU HD1 . 25377 1 568 . 2 2 12 12 LEU HD13 H 1 0.630 0.020 . 2 . . . . 26 LEU HD1 . 25377 1 569 . 2 2 12 12 LEU HD21 H 1 -0.237 0.020 . 2 . . . . 26 LEU HD2 . 25377 1 570 . 2 2 12 12 LEU HD22 H 1 -0.237 0.020 . 2 . . . . 26 LEU HD2 . 25377 1 571 . 2 2 12 12 LEU HD23 H 1 -0.237 0.020 . 2 . . . . 26 LEU HD2 . 25377 1 572 . 2 2 13 13 PRO HB2 H 1 2.267 0.020 . 1 . . . . 27 PRO HB2 . 25377 1 573 . 2 2 13 13 PRO HB3 H 1 2.267 0.020 . 1 . . . . 27 PRO HB3 . 25377 1 574 . 2 2 13 13 PRO HG2 H 1 1.956 0.020 . 2 . . . . 27 PRO HG2 . 25377 1 575 . 2 2 13 13 PRO HG3 H 1 1.890 0.020 . 2 . . . . 27 PRO HG3 . 25377 1 576 . 2 2 13 13 PRO HD2 H 1 3.684 0.020 . 2 . . . . 27 PRO HD2 . 25377 1 577 . 2 2 13 13 PRO HD3 H 1 3.511 0.020 . 2 . . . . 27 PRO HD3 . 25377 1 578 . 2 2 14 14 GLU HB2 H 1 1.949 0.020 . 2 . . . . 28 GLU HB2 . 25377 1 579 . 2 2 14 14 GLU HB3 H 1 1.852 0.020 . 2 . . . . 28 GLU HB3 . 25377 1 580 . 2 2 14 14 GLU HG2 H 1 2.188 0.020 . 2 . . . . 28 GLU HG2 . 25377 1 581 . 2 2 14 14 GLU HG3 H 1 2.110 0.020 . 2 . . . . 28 GLU HG3 . 25377 1 582 . 2 2 15 15 ASN HB2 H 1 2.505 0.020 . 2 . . . . 29 ASN HB2 . 25377 1 583 . 2 2 15 15 ASN HB3 H 1 2.380 0.020 . 2 . . . . 29 ASN HB3 . 25377 1 584 . 2 2 15 15 ASN HD21 H 1 6.815 0.020 . 1 . . . . 29 ASN HD21 . 25377 1 585 . 2 2 15 15 ASN HD22 H 1 6.345 0.020 . 1 . . . . 29 ASN HD22 . 25377 1 stop_ save_