data_4639 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4639 _Entry.Title ; NMR structure of the hRap1 Myb motif reveals a canonical three helix bundle lacking the positive surface charge typical of Myb DNA binding domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-24 _Entry.Accession_date 2001-03-16 _Entry.Last_release_date 2002-04-03 _Entry.Original_release_date 2002-04-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 S Hanaoka . . . 4639 2 A Nagadoi . . . 4639 3 S Yoshimura . . . 4639 4 S Aimoto . . . 4639 5 B Li . . . 4639 6 T 'de Lange' . . . 4639 7 Y Nishimura . . . 4639 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4639 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 379 4639 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 . . 2002-04-03 2000-07-24 original author . 4639 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4639 _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 ; NMR structure of the hRap1 Myb motif reveals a canonical three helix bundle lacking the positive surface charge typical of Myb DNA binding domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 312 _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 167 _Citation.Page_last 175 _Citation.Year 2001 _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 S Hanaoka . . . 4639 1 2 A Nagadoi . . . 4639 1 3 S Yoshimura . . . 4639 1 4 S Aimoto . . . 4639 1 5 B Li . . . 4639 1 6 T 'de Lange' . . . 4639 1 7 Y Nishimura . . . 4639 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4639 1 telomere 4639 1 'Myb motif' 4639 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RAP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RAP1 _Assembly.Entry_ID 4639 _Assembly.ID 1 _Assembly.Name 'human Rap1' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4639 1 stop_ 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 'hRap1 Myb domain' 1 $RAP1 . . . native . . . . . 4639 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FEX . . . . . 'SOLUTION STRUCTURE OF MYB-DOMAIN OF HUMAN RAP1' 4639 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human Rap1' system 4639 1 hRap1 abbreviation 4639 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RAP1 _Entity.Sf_category entity _Entity.Sf_framecode RAP1 _Entity.Entry_ID 4639 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TRF2-INTERACTING TELOMERIC RAP1 PROTEIN' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRIAFTDADDVAILTYVKEN ARSPSSVTGNALWKAMEKSS LTQHSWQSLKDRYLKHLRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1FEX . "Solution Structure Of Myb-Domain Of Human Rap1" . . . . . 100.00 59 100.00 100.00 1.71e-34 . . . . 4639 1 2 no DBJ BAA91317 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 298 100.00 100.00 2.06e-31 . . . . 4639 1 3 no DBJ BAE00469 . "unnamed protein product [Macaca fascicularis]" . . . . . 88.14 238 100.00 100.00 1.42e-27 . . . . 4639 1 4 no DBJ BAE01995 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 400 100.00 100.00 5.99e-33 . . . . 4639 1 5 no DBJ BAE87910 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 398 100.00 100.00 5.70e-33 . . . . 4639 1 6 no DBJ BAE88172 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 241 100.00 100.00 1.20e-33 . . . . 4639 1 7 no GB AAF72711 . "TRF2-interacting telomeric RAP1 protein [Homo sapiens]" . . . . . 100.00 399 100.00 100.00 6.63e-33 . . . . 4639 1 8 no GB AAH04465 . "Telomeric repeat binding factor 2, interacting protein [Homo sapiens]" . . . . . 100.00 399 100.00 100.00 6.63e-33 . . . . 4639 1 9 no GB AAH05841 . "Telomeric repeat binding factor 2, interacting protein [Homo sapiens]" . . . . . 100.00 399 100.00 100.00 6.63e-33 . . . . 4639 1 10 no GB AAH22428 . "Telomeric repeat binding factor 2, interacting protein [Homo sapiens]" . . . . . 100.00 399 100.00 100.00 6.63e-33 . . . . 4639 1 11 no GB AAH78171 . "Telomeric repeat binding factor 2, interacting protein [Homo sapiens]" . . . . . 100.00 399 100.00 100.00 6.63e-33 . . . . 4639 1 12 no REF NP_001267142 . "telomeric repeat-binding factor 2-interacting protein 1 [Pan troglodytes]" . . . . . 100.00 399 100.00 100.00 1.13e-30 . . . . 4639 1 13 no REF NP_061848 . "telomeric repeat-binding factor 2-interacting protein 1 [Homo sapiens]" . . . . . 100.00 399 100.00 100.00 6.63e-33 . . . . 4639 1 14 no REF XP_001110856 . "PREDICTED: telomeric repeat-binding factor 2-interacting protein 1 [Macaca mulatta]" . . . . . 100.00 398 100.00 100.00 5.70e-33 . . . . 4639 1 15 no REF XP_003780774 . "PREDICTED: LOW QUALITY PROTEIN: telomeric repeat-binding factor 2-interacting protein 1 [Pongo abelii]" . . . . . 100.00 377 100.00 100.00 4.28e-31 . . . . 4639 1 16 no REF XP_003829596 . "PREDICTED: LOW QUALITY PROTEIN: telomeric repeat-binding factor 2-interacting protein 1 [Pan paniscus]" . . . . . 100.00 399 100.00 100.00 1.17e-30 . . . . 4639 1 17 no SP Q4R4I0 . "RecName: Full=Telomeric repeat-binding factor 2-interacting protein 1; Short=TERF2-interacting telomeric protein 1; Short=TRF2-" . . . . . 100.00 400 100.00 100.00 5.99e-33 . . . . 4639 1 18 no SP Q9NYB0 . "RecName: Full=Telomeric repeat-binding factor 2-interacting protein 1; Short=TERF2-interacting telomeric protein 1; Short=TRF2-" . . . . . 100.00 399 100.00 100.00 6.63e-33 . . . . 4639 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TRF2-INTERACTING TELOMERIC RAP1 PROTEIN' common 4639 1 RAP1 abbreviation 4639 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 . GLY . 4639 1 2 . ARG . 4639 1 3 . ILE . 4639 1 4 . ALA . 4639 1 5 . PHE . 4639 1 6 . THR . 4639 1 7 . ASP . 4639 1 8 . ALA . 4639 1 9 . ASP . 4639 1 10 . ASP . 4639 1 11 . VAL . 4639 1 12 . ALA . 4639 1 13 . ILE . 4639 1 14 . LEU . 4639 1 15 . THR . 4639 1 16 . TYR . 4639 1 17 . VAL . 4639 1 18 . LYS . 4639 1 19 . GLU . 4639 1 20 . ASN . 4639 1 21 . ALA . 4639 1 22 . ARG . 4639 1 23 . SER . 4639 1 24 . PRO . 4639 1 25 . SER . 4639 1 26 . SER . 4639 1 27 . VAL . 4639 1 28 . THR . 4639 1 29 . GLY . 4639 1 30 . ASN . 4639 1 31 . ALA . 4639 1 32 . LEU . 4639 1 33 . TRP . 4639 1 34 . LYS . 4639 1 35 . ALA . 4639 1 36 . MET . 4639 1 37 . GLU . 4639 1 38 . LYS . 4639 1 39 . SER . 4639 1 40 . SER . 4639 1 41 . LEU . 4639 1 42 . THR . 4639 1 43 . GLN . 4639 1 44 . HIS . 4639 1 45 . SER . 4639 1 46 . TRP . 4639 1 47 . GLN . 4639 1 48 . SER . 4639 1 49 . LEU . 4639 1 50 . LYS . 4639 1 51 . ASP . 4639 1 52 . ARG . 4639 1 53 . TYR . 4639 1 54 . LEU . 4639 1 55 . LYS . 4639 1 56 . HIS . 4639 1 57 . LEU . 4639 1 58 . ARG . 4639 1 59 . GLY . 4639 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 4639 1 . ARG 2 2 4639 1 . ILE 3 3 4639 1 . ALA 4 4 4639 1 . PHE 5 5 4639 1 . THR 6 6 4639 1 . ASP 7 7 4639 1 . ALA 8 8 4639 1 . ASP 9 9 4639 1 . ASP 10 10 4639 1 . VAL 11 11 4639 1 . ALA 12 12 4639 1 . ILE 13 13 4639 1 . LEU 14 14 4639 1 . THR 15 15 4639 1 . TYR 16 16 4639 1 . VAL 17 17 4639 1 . LYS 18 18 4639 1 . GLU 19 19 4639 1 . ASN 20 20 4639 1 . ALA 21 21 4639 1 . ARG 22 22 4639 1 . SER 23 23 4639 1 . PRO 24 24 4639 1 . SER 25 25 4639 1 . SER 26 26 4639 1 . VAL 27 27 4639 1 . THR 28 28 4639 1 . GLY 29 29 4639 1 . ASN 30 30 4639 1 . ALA 31 31 4639 1 . LEU 32 32 4639 1 . TRP 33 33 4639 1 . LYS 34 34 4639 1 . ALA 35 35 4639 1 . MET 36 36 4639 1 . GLU 37 37 4639 1 . LYS 38 38 4639 1 . SER 39 39 4639 1 . SER 40 40 4639 1 . LEU 41 41 4639 1 . THR 42 42 4639 1 . GLN 43 43 4639 1 . HIS 44 44 4639 1 . SER 45 45 4639 1 . TRP 46 46 4639 1 . GLN 47 47 4639 1 . SER 48 48 4639 1 . LEU 49 49 4639 1 . LYS 50 50 4639 1 . ASP 51 51 4639 1 . ARG 52 52 4639 1 . TYR 53 53 4639 1 . LEU 54 54 4639 1 . LYS 55 55 4639 1 . HIS 56 56 4639 1 . LEU 57 57 4639 1 . ARG 58 58 4639 1 . GLY 59 59 4639 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 4639 _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 $RAP1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4639 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 4639 _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 $RAP1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4639 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4639 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'TRF2-INTERACTING TELOMERIC RAP1 PROTEIN' . . . 1 $RAP1 . . 1.0 . . mM . . . . 4639 1 2 'potassium phosphate' . . . . . . . 100 . . mM . . . . 4639 1 3 NaN3 . . . . . . . 1.0 . . mM . . . . 4639 1 4 H2O . . . . . . . 90 . . % . . . . 4639 1 5 D2O . . . . . . . 10 . . % . . . . 4639 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4639 _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 5.5 . pH 4639 1 temperature 300 . K 4639 1 pressure 1 . atm 4639 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4639 _Software.ID 1 _Software.Name NMRPipe _Software.Version 4.2.5 _Software.Details 'Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu,G., Pfeifer, J. and Bax,A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4639 1 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4639 _Software.ID 2 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details Brunger,A.T. loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4639 2 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 4639 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4639 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4639 _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 DMX . 500 . . . 4639 1 2 spectrometer_2 Bruker DMX . 600 . . . 4639 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 4639 _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-1H DQF-COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4639 1 2 '2D 1H-1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4639 1 3 '2D 1H-1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4639 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4639 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4639 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4639 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4639 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 ARG H H 1 8.221 . . 1 . . . . . . . . 4639 1 2 . 1 1 2 2 ARG HA H 1 4.187 . . 1 . . . . . . . . 4639 1 3 . 1 1 2 2 ARG HB2 H 1 1.545 . . 2 . . . . . . . . 4639 1 4 . 1 1 2 2 ARG HB3 H 1 1.685 . . 2 . . . . . . . . 4639 1 5 . 1 1 2 2 ARG HG2 H 1 1.43 . . 1 . . . . . . . . 4639 1 6 . 1 1 2 2 ARG HG3 H 1 1.43 . . 1 . . . . . . . . 4639 1 7 . 1 1 2 2 ARG HD2 H 1 3.025 . . 1 . . . . . . . . 4639 1 8 . 1 1 2 2 ARG HD3 H 1 3.025 . . 1 . . . . . . . . 4639 1 9 . 1 1 3 3 ILE H H 1 8.098 . . 1 . . . . . . . . 4639 1 10 . 1 1 3 3 ILE HA H 1 3.978 . . 1 . . . . . . . . 4639 1 11 . 1 1 3 3 ILE HB H 1 1.568 . . 1 . . . . . . . . 4639 1 12 . 1 1 3 3 ILE HG12 H 1 1.221 . . 1 . . . . . . . . 4639 1 13 . 1 1 3 3 ILE HG13 H 1 1.221 . . 1 . . . . . . . . 4639 1 14 . 1 1 3 3 ILE HG21 H 1 0.938 . . 1 . . . . . . . . 4639 1 15 . 1 1 3 3 ILE HG22 H 1 0.938 . . 1 . . . . . . . . 4639 1 16 . 1 1 3 3 ILE HG23 H 1 0.938 . . 1 . . . . . . . . 4639 1 17 . 1 1 3 3 ILE HD11 H 1 0.569 . . 1 . . . . . . . . 4639 1 18 . 1 1 3 3 ILE HD12 H 1 0.569 . . 1 . . . . . . . . 4639 1 19 . 1 1 3 3 ILE HD13 H 1 0.569 . . 1 . . . . . . . . 4639 1 20 . 1 1 4 4 ALA H H 1 8.274 . . 1 . . . . . . . . 4639 1 21 . 1 1 4 4 ALA HA H 1 4.188 . . 1 . . . . . . . . 4639 1 22 . 1 1 4 4 ALA HB1 H 1 1.199 . . 1 . . . . . . . . 4639 1 23 . 1 1 4 4 ALA HB2 H 1 1.199 . . 1 . . . . . . . . 4639 1 24 . 1 1 4 4 ALA HB3 H 1 1.199 . . 1 . . . . . . . . 4639 1 25 . 1 1 5 5 PHE H H 1 8.517 . . 1 . . . . . . . . 4639 1 26 . 1 1 5 5 PHE HB2 H 1 2.758 . . 1 . . . . . . . . 4639 1 27 . 1 1 5 5 PHE HB3 H 1 2.588 . . 1 . . . . . . . . 4639 1 28 . 1 1 5 5 PHE HD1 H 1 6.927 . . 1 . . . . . . . . 4639 1 29 . 1 1 5 5 PHE HD2 H 1 6.927 . . 1 . . . . . . . . 4639 1 30 . 1 1 5 5 PHE HE1 H 1 6.688 . . 1 . . . . . . . . 4639 1 31 . 1 1 5 5 PHE HE2 H 1 6.688 . . 1 . . . . . . . . 4639 1 32 . 1 1 5 5 PHE HZ H 1 6.468 . . 1 . . . . . . . . 4639 1 33 . 1 1 6 6 THR H H 1 8.835 . . 1 . . . . . . . . 4639 1 34 . 1 1 6 6 THR HA H 1 4.525 . . 1 . . . . . . . . 4639 1 35 . 1 1 6 6 THR HG21 H 1 1.116 . . 1 . . . . . . . . 4639 1 36 . 1 1 6 6 THR HG22 H 1 1.116 . . 1 . . . . . . . . 4639 1 37 . 1 1 6 6 THR HG23 H 1 1.116 . . 1 . . . . . . . . 4639 1 38 . 1 1 7 7 ASP H H 1 8.709 . . 1 . . . . . . . . 4639 1 39 . 1 1 7 7 ASP HA H 1 4.278 . . 1 . . . . . . . . 4639 1 40 . 1 1 7 7 ASP HB2 H 1 2.631 . . 1 . . . . . . . . 4639 1 41 . 1 1 7 7 ASP HB3 H 1 2.536 . . 1 . . . . . . . . 4639 1 42 . 1 1 8 8 ALA H H 1 8.031 . . 1 . . . . . . . . 4639 1 43 . 1 1 8 8 ALA HA H 1 3.998 . . 1 . . . . . . . . 4639 1 44 . 1 1 8 8 ALA HB1 H 1 1.291 . . 1 . . . . . . . . 4639 1 45 . 1 1 8 8 ALA HB2 H 1 1.291 . . 1 . . . . . . . . 4639 1 46 . 1 1 8 8 ALA HB3 H 1 1.291 . . 1 . . . . . . . . 4639 1 47 . 1 1 9 9 ASP H H 1 7.956 . . 1 . . . . . . . . 4639 1 48 . 1 1 9 9 ASP HA H 1 4.166 . . 1 . . . . . . . . 4639 1 49 . 1 1 9 9 ASP HB2 H 1 2.499 . . 1 . . . . . . . . 4639 1 50 . 1 1 9 9 ASP HB3 H 1 3.338 . . 1 . . . . . . . . 4639 1 51 . 1 1 10 10 ASP H H 1 7.763 . . 1 . . . . . . . . 4639 1 52 . 1 1 10 10 ASP HA H 1 4.392 . . 1 . . . . . . . . 4639 1 53 . 1 1 10 10 ASP HB2 H 1 2.782 . . 1 . . . . . . . . 4639 1 54 . 1 1 10 10 ASP HB3 H 1 2.439 . . 1 . . . . . . . . 4639 1 55 . 1 1 11 11 VAL H H 1 8.147 . . 1 . . . . . . . . 4639 1 56 . 1 1 11 11 VAL HA H 1 3.595 . . 1 . . . . . . . . 4639 1 57 . 1 1 11 11 VAL HB H 1 1.994 . . 1 . . . . . . . . 4639 1 58 . 1 1 11 11 VAL HG11 H 1 0.845 . . 1 . . . . . . . . 4639 1 59 . 1 1 11 11 VAL HG12 H 1 0.845 . . 1 . . . . . . . . 4639 1 60 . 1 1 11 11 VAL HG13 H 1 0.845 . . 1 . . . . . . . . 4639 1 61 . 1 1 11 11 VAL HG21 H 1 0.979 . . 1 . . . . . . . . 4639 1 62 . 1 1 11 11 VAL HG22 H 1 0.979 . . 1 . . . . . . . . 4639 1 63 . 1 1 11 11 VAL HG23 H 1 0.979 . . 1 . . . . . . . . 4639 1 64 . 1 1 12 12 ALA H H 1 8.150 . . 1 . . . . . . . . 4639 1 65 . 1 1 12 12 ALA HA H 1 4.091 . . 1 . . . . . . . . 4639 1 66 . 1 1 12 12 ALA HB1 H 1 1.483 . . 1 . . . . . . . . 4639 1 67 . 1 1 12 12 ALA HB2 H 1 1.483 . . 1 . . . . . . . . 4639 1 68 . 1 1 12 12 ALA HB3 H 1 1.483 . . 1 . . . . . . . . 4639 1 69 . 1 1 13 13 ILE H H 1 8.524 . . 1 . . . . . . . . 4639 1 70 . 1 1 13 13 ILE HA H 1 3.646 . . 1 . . . . . . . . 4639 1 71 . 1 1 13 13 ILE HB H 1 2.096 . . 1 . . . . . . . . 4639 1 72 . 1 1 13 13 ILE HG12 H 1 1.067 . . 1 . . . . . . . . 4639 1 73 . 1 1 13 13 ILE HG13 H 1 1.067 . . 1 . . . . . . . . 4639 1 74 . 1 1 13 13 ILE HG21 H 1 0.839 . . 1 . . . . . . . . 4639 1 75 . 1 1 13 13 ILE HG22 H 1 0.839 . . 1 . . . . . . . . 4639 1 76 . 1 1 13 13 ILE HG23 H 1 0.839 . . 1 . . . . . . . . 4639 1 77 . 1 1 14 14 LEU H H 1 8.407 . . 1 . . . . . . . . 4639 1 78 . 1 1 14 14 LEU HA H 1 3.891 . . 1 . . . . . . . . 4639 1 79 . 1 1 14 14 LEU HB2 H 1 1.947 . . 1 . . . . . . . . 4639 1 80 . 1 1 14 14 LEU HB3 H 1 1.947 . . 1 . . . . . . . . 4639 1 81 . 1 1 14 14 LEU HG H 1 1.458 . . 1 . . . . . . . . 4639 1 82 . 1 1 14 14 LEU HD11 H 1 0.884 . . 1 . . . . . . . . 4639 1 83 . 1 1 14 14 LEU HD12 H 1 0.884 . . 1 . . . . . . . . 4639 1 84 . 1 1 14 14 LEU HD13 H 1 0.884 . . 1 . . . . . . . . 4639 1 85 . 1 1 14 14 LEU HD21 H 1 0.997 . . 1 . . . . . . . . 4639 1 86 . 1 1 14 14 LEU HD22 H 1 0.997 . . 1 . . . . . . . . 4639 1 87 . 1 1 14 14 LEU HD23 H 1 0.997 . . 1 . . . . . . . . 4639 1 88 . 1 1 15 15 THR H H 1 8.748 . . 1 . . . . . . . . 4639 1 89 . 1 1 15 15 THR HA H 1 3.746 . . 1 . . . . . . . . 4639 1 90 . 1 1 15 15 THR HB H 1 4.194 . . 1 . . . . . . . . 4639 1 91 . 1 1 15 15 THR HG21 H 1 1.089 . . 1 . . . . . . . . 4639 1 92 . 1 1 15 15 THR HG22 H 1 1.089 . . 1 . . . . . . . . 4639 1 93 . 1 1 15 15 THR HG23 H 1 1.089 . . 1 . . . . . . . . 4639 1 94 . 1 1 16 16 TYR H H 1 8.343 . . 1 . . . . . . . . 4639 1 95 . 1 1 16 16 TYR HA H 1 3.749 . . 1 . . . . . . . . 4639 1 96 . 1 1 16 16 TYR HB2 H 1 3.053 . . 1 . . . . . . . . 4639 1 97 . 1 1 16 16 TYR HB3 H 1 3.053 . . 1 . . . . . . . . 4639 1 98 . 1 1 16 16 TYR HD1 H 1 6.582 . . 1 . . . . . . . . 4639 1 99 . 1 1 16 16 TYR HD2 H 1 6.582 . . 1 . . . . . . . . 4639 1 100 . 1 1 16 16 TYR HE1 H 1 6.476 . . 1 . . . . . . . . 4639 1 101 . 1 1 16 16 TYR HE2 H 1 6.476 . . 1 . . . . . . . . 4639 1 102 . 1 1 17 17 VAL H H 1 8.566 . . 1 . . . . . . . . 4639 1 103 . 1 1 17 17 VAL HA H 1 3.018 . . 1 . . . . . . . . 4639 1 104 . 1 1 17 17 VAL HB H 1 1.856 . . 1 . . . . . . . . 4639 1 105 . 1 1 17 17 VAL HG11 H 1 0.562 . . 1 . . . . . . . . 4639 1 106 . 1 1 17 17 VAL HG12 H 1 0.562 . . 1 . . . . . . . . 4639 1 107 . 1 1 17 17 VAL HG13 H 1 0.562 . . 1 . . . . . . . . 4639 1 108 . 1 1 17 17 VAL HG21 H 1 0.453 . . 1 . . . . . . . . 4639 1 109 . 1 1 17 17 VAL HG22 H 1 0.453 . . 1 . . . . . . . . 4639 1 110 . 1 1 17 17 VAL HG23 H 1 0.453 . . 1 . . . . . . . . 4639 1 111 . 1 1 18 18 LYS H H 1 7.82 . . 1 . . . . . . . . 4639 1 112 . 1 1 18 18 LYS HA H 1 3.811 . . 1 . . . . . . . . 4639 1 113 . 1 1 18 18 LYS HB2 H 1 1.572 . . 1 . . . . . . . . 4639 1 114 . 1 1 18 18 LYS HB3 H 1 1.858 . . 1 . . . . . . . . 4639 1 115 . 1 1 18 18 LYS HG2 H 1 1.281 . . 2 . . . . . . . . 4639 1 116 . 1 1 18 18 LYS HG3 H 1 1.385 . . 2 . . . . . . . . 4639 1 117 . 1 1 19 19 GLU H H 1 7.823 . . 1 . . . . . . . . 4639 1 118 . 1 1 19 19 GLU HA H 1 3.909 . . 1 . . . . . . . . 4639 1 119 . 1 1 19 19 GLU HB2 H 1 1.631 . . 1 . . . . . . . . 4639 1 120 . 1 1 19 19 GLU HB3 H 1 1.631 . . 1 . . . . . . . . 4639 1 121 . 1 1 19 19 GLU HG2 H 1 2.228 . . 2 . . . . . . . . 4639 1 122 . 1 1 19 19 GLU HG3 H 1 2.001 . . 2 . . . . . . . . 4639 1 123 . 1 1 20 20 ASN H H 1 7.631 . . 1 . . . . . . . . 4639 1 124 . 1 1 20 20 ASN HA H 1 4.523 . . 1 . . . . . . . . 4639 1 125 . 1 1 20 20 ASN HB2 H 1 1.771 . . 1 . . . . . . . . 4639 1 126 . 1 1 20 20 ASN HB3 H 1 2.908 . . 1 . . . . . . . . 4639 1 127 . 1 1 20 20 ASN HD21 H 1 5.692 . . 2 . . . . . . . . 4639 1 128 . 1 1 20 20 ASN HD22 H 1 6.678 . . 2 . . . . . . . . 4639 1 129 . 1 1 21 21 ALA H H 1 8.262 . . 1 . . . . . . . . 4639 1 130 . 1 1 21 21 ALA HA H 1 4.159 . . 1 . . . . . . . . 4639 1 131 . 1 1 21 21 ALA HB1 H 1 1.170 . . 1 . . . . . . . . 4639 1 132 . 1 1 21 21 ALA HB2 H 1 1.170 . . 1 . . . . . . . . 4639 1 133 . 1 1 21 21 ALA HB3 H 1 1.170 . . 1 . . . . . . . . 4639 1 134 . 1 1 22 22 ARG H H 1 8.137 . . 1 . . . . . . . . 4639 1 135 . 1 1 22 22 ARG HA H 1 4.139 . . 1 . . . . . . . . 4639 1 136 . 1 1 22 22 ARG HB2 H 1 1.790 . . 1 . . . . . . . . 4639 1 137 . 1 1 22 22 ARG HB3 H 1 1.590 . . 1 . . . . . . . . 4639 1 138 . 1 1 22 22 ARG HG2 H 1 1.398 . . 1 . . . . . . . . 4639 1 139 . 1 1 22 22 ARG HG3 H 1 1.398 . . 1 . . . . . . . . 4639 1 140 . 1 1 22 22 ARG HD2 H 1 3.003 . . 2 . . . . . . . . 4639 1 141 . 1 1 22 22 ARG HD3 H 1 1.468 . . 2 . . . . . . . . 4639 1 142 . 1 1 22 22 ARG HE H 1 7.103 . . 1 . . . . . . . . 4639 1 143 . 1 1 23 23 SER H H 1 7.869 . . 1 . . . . . . . . 4639 1 144 . 1 1 23 23 SER HA H 1 4.841 . . 1 . . . . . . . . 4639 1 145 . 1 1 23 23 SER HB2 H 1 3.946 . . 2 . . . . . . . . 4639 1 146 . 1 1 23 23 SER HB3 H 1 3.700 . . 2 . . . . . . . . 4639 1 147 . 1 1 24 24 PRO HA H 1 4.331 . . 1 . . . . . . . . 4639 1 148 . 1 1 24 24 PRO HB2 H 1 2.331 . . 2 . . . . . . . . 4639 1 149 . 1 1 24 24 PRO HB3 H 1 2.035 . . 2 . . . . . . . . 4639 1 150 . 1 1 24 24 PRO HG2 H 1 1.892 . . 1 . . . . . . . . 4639 1 151 . 1 1 24 24 PRO HG3 H 1 1.892 . . 1 . . . . . . . . 4639 1 152 . 1 1 24 24 PRO HD2 H 1 3.780 . . 1 . . . . . . . . 4639 1 153 . 1 1 24 24 PRO HD3 H 1 3.780 . . 1 . . . . . . . . 4639 1 154 . 1 1 25 25 SER H H 1 7.974 . . 1 . . . . . . . . 4639 1 155 . 1 1 25 25 SER HA H 1 4.347 . . 1 . . . . . . . . 4639 1 156 . 1 1 25 25 SER HB2 H 1 3.810 . . 2 . . . . . . . . 4639 1 157 . 1 1 25 25 SER HB3 H 1 3.765 . . 2 . . . . . . . . 4639 1 158 . 1 1 26 26 SER H H 1 8.082 . . 1 . . . . . . . . 4639 1 159 . 1 1 26 26 SER HA H 1 4.136 . . 1 . . . . . . . . 4639 1 160 . 1 1 26 26 SER HB2 H 1 3.838 . . 1 . . . . . . . . 4639 1 161 . 1 1 26 26 SER HB3 H 1 3.838 . . 1 . . . . . . . . 4639 1 162 . 1 1 27 27 VAL H H 1 7.590 . . 1 . . . . . . . . 4639 1 163 . 1 1 27 27 VAL HA H 1 4.082 . . 1 . . . . . . . . 4639 1 164 . 1 1 27 27 VAL HB H 1 2.484 . . 1 . . . . . . . . 4639 1 165 . 1 1 27 27 VAL HG11 H 1 0.877 . . 1 . . . . . . . . 4639 1 166 . 1 1 27 27 VAL HG12 H 1 0.877 . . 1 . . . . . . . . 4639 1 167 . 1 1 27 27 VAL HG13 H 1 0.877 . . 1 . . . . . . . . 4639 1 168 . 1 1 27 27 VAL HG21 H 1 1.107 . . 1 . . . . . . . . 4639 1 169 . 1 1 27 27 VAL HG22 H 1 1.107 . . 1 . . . . . . . . 4639 1 170 . 1 1 27 27 VAL HG23 H 1 1.107 . . 1 . . . . . . . . 4639 1 171 . 1 1 28 28 THR H H 1 7.450 . . 1 . . . . . . . . 4639 1 172 . 1 1 28 28 THR HA H 1 4.444 . . 1 . . . . . . . . 4639 1 173 . 1 1 28 28 THR HG21 H 1 1.200 . . 1 . . . . . . . . 4639 1 174 . 1 1 28 28 THR HG22 H 1 1.200 . . 1 . . . . . . . . 4639 1 175 . 1 1 28 28 THR HG23 H 1 1.200 . . 1 . . . . . . . . 4639 1 176 . 1 1 29 29 GLY H H 1 7.537 . . 1 . . . . . . . . 4639 1 177 . 1 1 29 29 GLY HA2 H 1 3.815 . . 1 . . . . . . . . 4639 1 178 . 1 1 29 29 GLY HA3 H 1 4.358 . . 1 . . . . . . . . 4639 1 179 . 1 1 30 30 ASN H H 1 8.449 . . 1 . . . . . . . . 4639 1 180 . 1 1 30 30 ASN HA H 1 4.988 . . 1 . . . . . . . . 4639 1 181 . 1 1 30 30 ASN HB2 H 1 2.372 . . 1 . . . . . . . . 4639 1 182 . 1 1 30 30 ASN HB3 H 1 1.894 . . 1 . . . . . . . . 4639 1 183 . 1 1 30 30 ASN HD21 H 1 7.008 . . 2 . . . . . . . . 4639 1 184 . 1 1 30 30 ASN HD22 H 1 7.385 . . 2 . . . . . . . . 4639 1 185 . 1 1 31 31 ALA H H 1 8.182 . . 1 . . . . . . . . 4639 1 186 . 1 1 31 31 ALA HA H 1 3.651 . . 1 . . . . . . . . 4639 1 187 . 1 1 31 31 ALA HB1 H 1 1.256 . . 1 . . . . . . . . 4639 1 188 . 1 1 31 31 ALA HB2 H 1 1.256 . . 1 . . . . . . . . 4639 1 189 . 1 1 31 31 ALA HB3 H 1 1.256 . . 1 . . . . . . . . 4639 1 190 . 1 1 32 32 LEU H H 1 8.822 . . 1 . . . . . . . . 4639 1 191 . 1 1 32 32 LEU HA H 1 3.713 . . 1 . . . . . . . . 4639 1 192 . 1 1 32 32 LEU HB2 H 1 1.173 . . 1 . . . . . . . . 4639 1 193 . 1 1 32 32 LEU HB3 H 1 1.173 . . 1 . . . . . . . . 4639 1 194 . 1 1 32 32 LEU HG H 1 0.646 . . 1 . . . . . . . . 4639 1 195 . 1 1 32 32 LEU HD11 H 1 0.373 . . 1 . . . . . . . . 4639 1 196 . 1 1 32 32 LEU HD12 H 1 0.373 . . 1 . . . . . . . . 4639 1 197 . 1 1 32 32 LEU HD13 H 1 0.373 . . 1 . . . . . . . . 4639 1 198 . 1 1 32 32 LEU HD21 H 1 -0.259 . . 1 . . . . . . . . 4639 1 199 . 1 1 32 32 LEU HD22 H 1 -0.259 . . 1 . . . . . . . . 4639 1 200 . 1 1 32 32 LEU HD23 H 1 -0.259 . . 1 . . . . . . . . 4639 1 201 . 1 1 33 33 TRP H H 1 6.134 . . 1 . . . . . . . . 4639 1 202 . 1 1 33 33 TRP HA H 1 4.163 . . 1 . . . . . . . . 4639 1 203 . 1 1 33 33 TRP HB2 H 1 4.027 . . 1 . . . . . . . . 4639 1 204 . 1 1 33 33 TRP HB3 H 1 3.154 . . 1 . . . . . . . . 4639 1 205 . 1 1 33 33 TRP HD1 H 1 7.935 . . 1 . . . . . . . . 4639 1 206 . 1 1 33 33 TRP HE1 H 1 10.527 . . 1 . . . . . . . . 4639 1 207 . 1 1 33 33 TRP HE3 H 1 7.064 . . 1 . . . . . . . . 4639 1 208 . 1 1 33 33 TRP HZ2 H 1 7.343 . . 1 . . . . . . . . 4639 1 209 . 1 1 33 33 TRP HZ3 H 1 6.310 . . 1 . . . . . . . . 4639 1 210 . 1 1 33 33 TRP HH2 H 1 6.676 . . 1 . . . . . . . . 4639 1 211 . 1 1 34 34 LYS H H 1 8.027 . . 1 . . . . . . . . 4639 1 212 . 1 1 34 34 LYS HA H 1 3.717 . . 1 . . . . . . . . 4639 1 213 . 1 1 34 34 LYS HB2 H 1 1.455 . . 1 . . . . . . . . 4639 1 214 . 1 1 34 34 LYS HB3 H 1 1.302 . . 1 . . . . . . . . 4639 1 215 . 1 1 34 34 LYS HG2 H 1 0.300 . . 2 . . . . . . . . 4639 1 216 . 1 1 34 34 LYS HG3 H 1 0.039 . . 2 . . . . . . . . 4639 1 217 . 1 1 34 34 LYS HD2 H 1 0.866 . . 2 . . . . . . . . 4639 1 218 . 1 1 34 34 LYS HD3 H 1 1.003 . . 2 . . . . . . . . 4639 1 219 . 1 1 34 34 LYS HE2 H 1 1.745 . . 2 . . . . . . . . 4639 1 220 . 1 1 34 34 LYS HE3 H 1 1.981 . . 2 . . . . . . . . 4639 1 221 . 1 1 35 35 ALA H H 1 7.809 . . 1 . . . . . . . . 4639 1 222 . 1 1 35 35 ALA HA H 1 3.979 . . 1 . . . . . . . . 4639 1 223 . 1 1 35 35 ALA HB1 H 1 1.348 . . 1 . . . . . . . . 4639 1 224 . 1 1 35 35 ALA HB2 H 1 1.348 . . 1 . . . . . . . . 4639 1 225 . 1 1 35 35 ALA HB3 H 1 1.348 . . 1 . . . . . . . . 4639 1 226 . 1 1 36 36 MET H H 1 8.112 . . 1 . . . . . . . . 4639 1 227 . 1 1 36 36 MET HA H 1 3.002 . . 1 . . . . . . . . 4639 1 228 . 1 1 36 36 MET HB2 H 1 1.652 . . 1 . . . . . . . . 4639 1 229 . 1 1 36 36 MET HB3 H 1 1.546 . . 1 . . . . . . . . 4639 1 230 . 1 1 36 36 MET HG2 H 1 1.449 . . 1 . . . . . . . . 4639 1 231 . 1 1 36 36 MET HG3 H 1 1.411 . . 1 . . . . . . . . 4639 1 232 . 1 1 37 37 GLU H H 1 8.424 . . 1 . . . . . . . . 4639 1 233 . 1 1 37 37 GLU HA H 1 3.936 . . 1 . . . . . . . . 4639 1 234 . 1 1 37 37 GLU HB2 H 1 2.198 . . 1 . . . . . . . . 4639 1 235 . 1 1 37 37 GLU HB3 H 1 2.095 . . 1 . . . . . . . . 4639 1 236 . 1 1 37 37 GLU HG2 H 1 2.587 . . 1 . . . . . . . . 4639 1 237 . 1 1 37 37 GLU HG3 H 1 2.587 . . 1 . . . . . . . . 4639 1 238 . 1 1 38 38 LYS H H 1 7.592 . . 1 . . . . . . . . 4639 1 239 . 1 1 38 38 LYS HA H 1 4.073 . . 1 . . . . . . . . 4639 1 240 . 1 1 38 38 LYS HB2 H 1 1.803 . . 1 . . . . . . . . 4639 1 241 . 1 1 38 38 LYS HB3 H 1 1.803 . . 1 . . . . . . . . 4639 1 242 . 1 1 38 38 LYS HG2 H 1 1.547 . . 2 . . . . . . . . 4639 1 243 . 1 1 38 38 LYS HG3 H 1 1.434 . . 2 . . . . . . . . 4639 1 244 . 1 1 39 39 SER H H 1 7.766 . . 1 . . . . . . . . 4639 1 245 . 1 1 39 39 SER HA H 1 4.287 . . 1 . . . . . . . . 4639 1 246 . 1 1 39 39 SER HB2 H 1 3.883 . . 1 . . . . . . . . 4639 1 247 . 1 1 39 39 SER HB3 H 1 3.883 . . 1 . . . . . . . . 4639 1 248 . 1 1 40 40 SER H H 1 7.875 . . 1 . . . . . . . . 4639 1 249 . 1 1 40 40 SER HA H 1 4.268 . . 1 . . . . . . . . 4639 1 250 . 1 1 40 40 SER HB2 H 1 3.830 . . 2 . . . . . . . . 4639 1 251 . 1 1 40 40 SER HB3 H 1 3.800 . . 2 . . . . . . . . 4639 1 252 . 1 1 41 41 LEU H H 1 7.956 . . 1 . . . . . . . . 4639 1 253 . 1 1 41 41 LEU HA H 1 4.166 . . 1 . . . . . . . . 4639 1 254 . 1 1 41 41 LEU HB2 H 1 1.450 . . 1 . . . . . . . . 4639 1 255 . 1 1 41 41 LEU HB3 H 1 1.450 . . 1 . . . . . . . . 4639 1 256 . 1 1 41 41 LEU HD11 H 1 0.814 . . 1 . . . . . . . . 4639 1 257 . 1 1 41 41 LEU HD12 H 1 0.814 . . 1 . . . . . . . . 4639 1 258 . 1 1 41 41 LEU HD13 H 1 0.814 . . 1 . . . . . . . . 4639 1 259 . 1 1 41 41 LEU HD21 H 1 0.895 . . 1 . . . . . . . . 4639 1 260 . 1 1 41 41 LEU HD22 H 1 0.895 . . 1 . . . . . . . . 4639 1 261 . 1 1 41 41 LEU HD23 H 1 0.895 . . 1 . . . . . . . . 4639 1 262 . 1 1 42 42 THR H H 1 7.837 . . 1 . . . . . . . . 4639 1 263 . 1 1 42 42 THR HA H 1 4.470 . . 1 . . . . . . . . 4639 1 264 . 1 1 42 42 THR HG21 H 1 1.081 . . 1 . . . . . . . . 4639 1 265 . 1 1 42 42 THR HG22 H 1 1.081 . . 1 . . . . . . . . 4639 1 266 . 1 1 42 42 THR HG23 H 1 1.081 . . 1 . . . . . . . . 4639 1 267 . 1 1 43 43 GLN H H 1 8.666 . . 1 . . . . . . . . 4639 1 268 . 1 1 43 43 GLN HA H 1 4.254 . . 1 . . . . . . . . 4639 1 269 . 1 1 43 43 GLN HB2 H 1 1.444 . . 1 . . . . . . . . 4639 1 270 . 1 1 43 43 GLN HB3 H 1 1.444 . . 1 . . . . . . . . 4639 1 271 . 1 1 43 43 GLN HG2 H 1 2.007 . . 1 . . . . . . . . 4639 1 272 . 1 1 43 43 GLN HG3 H 1 1.914 . . 1 . . . . . . . . 4639 1 273 . 1 1 43 43 GLN HE21 H 1 6.582 . . 2 . . . . . . . . 4639 1 274 . 1 1 43 43 GLN HE22 H 1 7.305 . . 2 . . . . . . . . 4639 1 275 . 1 1 44 44 HIS H H 1 7.674 . . 1 . . . . . . . . 4639 1 276 . 1 1 44 44 HIS HA H 1 4.495 . . 1 . . . . . . . . 4639 1 277 . 1 1 44 44 HIS HB2 H 1 2.988 . . 1 . . . . . . . . 4639 1 278 . 1 1 44 44 HIS HB3 H 1 2.676 . . 1 . . . . . . . . 4639 1 279 . 1 1 44 44 HIS HD1 H 1 7.115 . . 1 . . . . . . . . 4639 1 280 . 1 1 44 44 HIS HD2 H 1 6.433 . . 1 . . . . . . . . 4639 1 281 . 1 1 45 45 SER H H 1 8.494 . . 1 . . . . . . . . 4639 1 282 . 1 1 45 45 SER HA H 1 4.504 . . 1 . . . . . . . . 4639 1 283 . 1 1 45 45 SER HB2 H 1 4.120 . . 2 . . . . . . . . 4639 1 284 . 1 1 45 45 SER HB3 H 1 3.892 . . 2 . . . . . . . . 4639 1 285 . 1 1 46 46 TRP H H 1 9.259 . . 1 . . . . . . . . 4639 1 286 . 1 1 46 46 TRP HA H 1 4.262 . . 1 . . . . . . . . 4639 1 287 . 1 1 46 46 TRP HB2 H 1 3.175 . . 1 . . . . . . . . 4639 1 288 . 1 1 46 46 TRP HB3 H 1 3.112 . . 1 . . . . . . . . 4639 1 289 . 1 1 46 46 TRP HD1 H 1 7.654 . . 1 . . . . . . . . 4639 1 290 . 1 1 46 46 TRP HE1 H 1 10.085 . . 1 . . . . . . . . 4639 1 291 . 1 1 46 46 TRP HE3 H 1 7.349 . . 1 . . . . . . . . 4639 1 292 . 1 1 46 46 TRP HZ2 H 1 7.156 . . 1 . . . . . . . . 4639 1 293 . 1 1 46 46 TRP HZ3 H 1 7.029 . . 1 . . . . . . . . 4639 1 294 . 1 1 46 46 TRP HH2 H 1 6.901 . . 1 . . . . . . . . 4639 1 295 . 1 1 47 47 GLN H H 1 7.719 . . 1 . . . . . . . . 4639 1 296 . 1 1 47 47 GLN HA H 1 3.078 . . 1 . . . . . . . . 4639 1 297 . 1 1 47 47 GLN HB2 H 1 1.212 . . 1 . . . . . . . . 4639 1 298 . 1 1 47 47 GLN HB3 H 1 0.988 . . 1 . . . . . . . . 4639 1 299 . 1 1 47 47 GLN HG2 H 1 0.247 . . 1 . . . . . . . . 4639 1 300 . 1 1 47 47 GLN HG3 H 1 1.499 . . 1 . . . . . . . . 4639 1 301 . 1 1 47 47 GLN HE21 H 1 6.244 . . 2 . . . . . . . . 4639 1 302 . 1 1 47 47 GLN HE22 H 1 6.945 . . 2 . . . . . . . . 4639 1 303 . 1 1 48 48 SER H H 1 7.605 . . 1 . . . . . . . . 4639 1 304 . 1 1 48 48 SER HA H 1 3.968 . . 1 . . . . . . . . 4639 1 305 . 1 1 48 48 SER HB2 H 1 3.868 . . 2 . . . . . . . . 4639 1 306 . 1 1 48 48 SER HB3 H 1 3.968 . . 2 . . . . . . . . 4639 1 307 . 1 1 49 49 LEU H H 1 8.125 . . 1 . . . . . . . . 4639 1 308 . 1 1 49 49 LEU HA H 1 3.748 . . 1 . . . . . . . . 4639 1 309 . 1 1 49 49 LEU HB2 H 1 2.238 . . 1 . . . . . . . . 4639 1 310 . 1 1 49 49 LEU HB3 H 1 1.793 . . 1 . . . . . . . . 4639 1 311 . 1 1 49 49 LEU HG H 1 1.622 . . 1 . . . . . . . . 4639 1 312 . 1 1 50 50 LYS H H 1 7.636 . . 1 . . . . . . . . 4639 1 313 . 1 1 50 50 LYS HB2 H 1 1.548 . . 1 . . . . . . . . 4639 1 314 . 1 1 50 50 LYS HB3 H 1 1.548 . . 1 . . . . . . . . 4639 1 315 . 1 1 50 50 LYS HG2 H 1 1.362 . . 1 . . . . . . . . 4639 1 316 . 1 1 50 50 LYS HG3 H 1 0.925 . . 1 . . . . . . . . 4639 1 317 . 1 1 50 50 LYS HD2 H 1 0.389 . . 1 . . . . . . . . 4639 1 318 . 1 1 50 50 LYS HD3 H 1 0.389 . . 1 . . . . . . . . 4639 1 319 . 1 1 51 51 ASP H H 1 7.491 . . 1 . . . . . . . . 4639 1 320 . 1 1 51 51 ASP HA H 1 4.007 . . 1 . . . . . . . . 4639 1 321 . 1 1 51 51 ASP HB2 H 1 2.398 . . 1 . . . . . . . . 4639 1 322 . 1 1 51 51 ASP HB3 H 1 2.273 . . 1 . . . . . . . . 4639 1 323 . 1 1 52 52 ARG H H 1 7.819 . . 1 . . . . . . . . 4639 1 324 . 1 1 52 52 ARG HA H 1 3.512 . . 1 . . . . . . . . 4639 1 325 . 1 1 52 52 ARG HB2 H 1 0.883 . . 1 . . . . . . . . 4639 1 326 . 1 1 52 52 ARG HB3 H 1 0.883 . . 1 . . . . . . . . 4639 1 327 . 1 1 52 52 ARG HG2 H 1 0.777 . . 1 . . . . . . . . 4639 1 328 . 1 1 52 52 ARG HG3 H 1 0.777 . . 1 . . . . . . . . 4639 1 329 . 1 1 52 52 ARG HD2 H 1 2.244 . . 1 . . . . . . . . 4639 1 330 . 1 1 52 52 ARG HD3 H 1 2.244 . . 1 . . . . . . . . 4639 1 331 . 1 1 52 52 ARG HE H 1 9.453 . . 1 . . . . . . . . 4639 1 332 . 1 1 53 53 TYR H H 1 8.013 . . 1 . . . . . . . . 4639 1 333 . 1 1 53 53 TYR HA H 1 3.945 . . 1 . . . . . . . . 4639 1 334 . 1 1 53 53 TYR HB2 H 1 2.731 . . 1 . . . . . . . . 4639 1 335 . 1 1 53 53 TYR HB3 H 1 2.913 . . 1 . . . . . . . . 4639 1 336 . 1 1 53 53 TYR HD1 H 1 6.947 . . 1 . . . . . . . . 4639 1 337 . 1 1 53 53 TYR HD2 H 1 6.947 . . 1 . . . . . . . . 4639 1 338 . 1 1 53 53 TYR HE1 H 1 6.724 . . 1 . . . . . . . . 4639 1 339 . 1 1 53 53 TYR HE2 H 1 6.724 . . 1 . . . . . . . . 4639 1 340 . 1 1 54 54 LEU H H 1 8.659 . . 1 . . . . . . . . 4639 1 341 . 1 1 54 54 LEU HA H 1 3.540 . . 1 . . . . . . . . 4639 1 342 . 1 1 54 54 LEU HB2 H 1 1.663 . . 1 . . . . . . . . 4639 1 343 . 1 1 54 54 LEU HB3 H 1 1.663 . . 1 . . . . . . . . 4639 1 344 . 1 1 54 54 LEU HG H 1 1.914 . . 1 . . . . . . . . 4639 1 345 . 1 1 55 55 LYS H H 1 8.376 . . 1 . . . . . . . . 4639 1 346 . 1 1 55 55 LYS HA H 1 4.086 . . 1 . . . . . . . . 4639 1 347 . 1 1 55 55 LYS HB2 H 1 1.617 . . 1 . . . . . . . . 4639 1 348 . 1 1 55 55 LYS HB3 H 1 1.380 . . 1 . . . . . . . . 4639 1 349 . 1 1 55 55 LYS HG2 H 1 1.243 . . 1 . . . . . . . . 4639 1 350 . 1 1 55 55 LYS HG3 H 1 1.243 . . 1 . . . . . . . . 4639 1 351 . 1 1 55 55 LYS HD2 H 1 1.060 . . 1 . . . . . . . . 4639 1 352 . 1 1 55 55 LYS HD3 H 1 1.060 . . 1 . . . . . . . . 4639 1 353 . 1 1 56 56 HIS H H 1 7.298 . . 1 . . . . . . . . 4639 1 354 . 1 1 56 56 HIS HA H 1 3.079 . . 1 . . . . . . . . 4639 1 355 . 1 1 56 56 HIS HB2 H 1 2.968 . . 1 . . . . . . . . 4639 1 356 . 1 1 56 56 HIS HB3 H 1 2.968 . . 1 . . . . . . . . 4639 1 357 . 1 1 57 57 LEU H H 1 7.816 . . 1 . . . . . . . . 4639 1 358 . 1 1 57 57 LEU HA H 1 4.213 . . 1 . . . . . . . . 4639 1 359 . 1 1 57 57 LEU HB2 H 1 1.787 . . 1 . . . . . . . . 4639 1 360 . 1 1 57 57 LEU HB3 H 1 1.787 . . 1 . . . . . . . . 4639 1 361 . 1 1 57 57 LEU HG H 1 1.455 . . 1 . . . . . . . . 4639 1 362 . 1 1 57 57 LEU HD11 H 1 0.693 . . 1 . . . . . . . . 4639 1 363 . 1 1 57 57 LEU HD12 H 1 0.693 . . 1 . . . . . . . . 4639 1 364 . 1 1 57 57 LEU HD13 H 1 0.693 . . 1 . . . . . . . . 4639 1 365 . 1 1 57 57 LEU HD21 H 1 0.937 . . 1 . . . . . . . . 4639 1 366 . 1 1 57 57 LEU HD22 H 1 0.937 . . 1 . . . . . . . . 4639 1 367 . 1 1 57 57 LEU HD23 H 1 0.937 . . 1 . . . . . . . . 4639 1 368 . 1 1 58 58 ARG H H 1 7.874 . . 1 . . . . . . . . 4639 1 369 . 1 1 58 58 ARG HA H 1 3.657 . . 1 . . . . . . . . 4639 1 370 . 1 1 58 58 ARG HB2 H 1 1.337 . . 1 . . . . . . . . 4639 1 371 . 1 1 58 58 ARG HB3 H 1 1.283 . . 1 . . . . . . . . 4639 1 372 . 1 1 58 58 ARG HG2 H 1 1.089 . . 1 . . . . . . . . 4639 1 373 . 1 1 58 58 ARG HG3 H 1 1.089 . . 1 . . . . . . . . 4639 1 374 . 1 1 58 58 ARG HD2 H 1 2.940 . . 1 . . . . . . . . 4639 1 375 . 1 1 58 58 ARG HD3 H 1 2.940 . . 1 . . . . . . . . 4639 1 376 . 1 1 58 58 ARG HE H 1 7.193 . . 1 . . . . . . . . 4639 1 377 . 1 1 59 59 GLY H H 1 7.952 . . 1 . . . . . . . . 4639 1 378 . 1 1 59 59 GLY HA2 H 1 3.589 . . 1 . . . . . . . . 4639 1 379 . 1 1 59 59 GLY HA3 H 1 3.589 . . 1 . . . . . . . . 4639 1 stop_ save_