data_11134 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11134 _Entry.Title ; Solution structure of the HMG box domain from human WD repeat and HMG-box DNA binding protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 11134 2 T. Kigawa . . . 11134 3 K. Saito . . . 11134 4 S. Koshiba . . . 11134 5 M. Inoue . . . 11134 6 Y. Kamatari . . . 11134 7 S. Yokoyama . . . 11134 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11134 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11134 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 11134 '15N chemical shifts' 76 11134 '1H chemical shifts' 490 11134 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 . . 2011-04-01 2010-03-31 original author . 11134 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D7L 'BMRB Entry Tracking System' 11134 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11134 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the HMG box domain from human WD repeat and HMG-box DNA binding protein 1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 11134 1 2 T. Kigawa . . . 11134 1 3 K. Saito . . . 11134 1 4 S. Koshiba . . . 11134 1 5 M. Inoue . . . 11134 1 6 Y. Kamatari . . . 11134 1 7 S. Yokoyama . . . 11134 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11134 _Assembly.ID 1 _Assembly.Name 'WD repeat and HMG-box DNA binding protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HMG box domain' 1 $entity_1 A . yes native no no . . . 11134 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 yes PDB 2d7l . . . . . . 11134 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11134 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HMG box domain' _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 ; GSSGSSGRPKTGFQMWLEEN RSNILSDNPDFSDEADIIKE GMIRFRVLSTEERKVWANKA KGETASEGTEAKKRKSGPSS G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 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 2D7L . "Solution Structure Of The Hmg Box Domain From Human Wd Repeat And Hmg-Box Dna Binding Protein 1" . . . . . 100.00 81 100.00 100.00 5.14e-49 . . . . 11134 1 2 no DBJ BAF85694 . "unnamed protein product [Homo sapiens]" . . . . . 83.95 1129 100.00 100.00 1.33e-36 . . . . 11134 1 3 no DBJ BAG50934 . "unnamed protein product [Homo sapiens]" . . . . . 83.95 647 100.00 100.00 1.32e-37 . . . . 11134 1 4 no DBJ BAG50944 . "unnamed protein product [Homo sapiens]" . . . . . 83.95 798 100.00 100.00 3.92e-37 . . . . 11134 1 5 no DBJ BAG50951 . "unnamed protein product [Homo sapiens]" . . . . . 83.95 364 98.53 98.53 1.59e-38 . . . . 11134 1 6 no EMBL CAA06932 . "AND-1 protein [Homo sapiens]" . . . . . 83.95 1129 100.00 100.00 1.32e-36 . . . . 11134 1 7 no GB AAH63041 . "WD repeat and HMG-box DNA binding protein 1 [Homo sapiens]" . . . . . 83.95 1129 100.00 100.00 1.32e-36 . . . . 11134 1 8 no GB EAW80654 . "WD repeat and HMG-box DNA binding protein 1 [Homo sapiens]" . . . . . 83.95 1129 100.00 100.00 1.32e-36 . . . . 11134 1 9 no REF NP_001008397 . "WD repeat and HMG-box DNA-binding protein 1 isoform 2 [Homo sapiens]" . . . . . 83.95 1006 100.00 100.00 9.74e-37 . . . . 11134 1 10 no REF NP_009017 . "WD repeat and HMG-box DNA-binding protein 1 isoform 1 [Homo sapiens]" . . . . . 83.95 1129 100.00 100.00 1.32e-36 . . . . 11134 1 11 no REF XP_001161792 . "PREDICTED: WD repeat and HMG-box DNA-binding protein 1 isoform X3 [Pan troglodytes]" . . . . . 83.95 1006 100.00 100.00 9.27e-37 . . . . 11134 1 12 no REF XP_003831741 . "PREDICTED: LOW QUALITY PROTEIN: WD repeat and HMG-box DNA-binding protein 1 [Pan paniscus]" . . . . . 83.95 1127 100.00 100.00 1.33e-36 . . . . 11134 1 13 no REF XP_004055246 . "PREDICTED: WD repeat and HMG-box DNA-binding protein 1 [Gorilla gorilla gorilla]" . . . . . 83.95 1129 98.53 100.00 3.29e-36 . . . . 11134 1 14 no SP O75717 . "RecName: Full=WD repeat and HMG-box DNA-binding protein 1; AltName: Full=Acidic nucleoplasmic DNA-binding protein 1; Short=And-" . . . . . 83.95 1129 100.00 100.00 1.32e-36 . . . . 11134 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HMG box domain' . 11134 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 . 11134 1 2 . SER . 11134 1 3 . SER . 11134 1 4 . GLY . 11134 1 5 . SER . 11134 1 6 . SER . 11134 1 7 . GLY . 11134 1 8 . ARG . 11134 1 9 . PRO . 11134 1 10 . LYS . 11134 1 11 . THR . 11134 1 12 . GLY . 11134 1 13 . PHE . 11134 1 14 . GLN . 11134 1 15 . MET . 11134 1 16 . TRP . 11134 1 17 . LEU . 11134 1 18 . GLU . 11134 1 19 . GLU . 11134 1 20 . ASN . 11134 1 21 . ARG . 11134 1 22 . SER . 11134 1 23 . ASN . 11134 1 24 . ILE . 11134 1 25 . LEU . 11134 1 26 . SER . 11134 1 27 . ASP . 11134 1 28 . ASN . 11134 1 29 . PRO . 11134 1 30 . ASP . 11134 1 31 . PHE . 11134 1 32 . SER . 11134 1 33 . ASP . 11134 1 34 . GLU . 11134 1 35 . ALA . 11134 1 36 . ASP . 11134 1 37 . ILE . 11134 1 38 . ILE . 11134 1 39 . LYS . 11134 1 40 . GLU . 11134 1 41 . GLY . 11134 1 42 . MET . 11134 1 43 . ILE . 11134 1 44 . ARG . 11134 1 45 . PHE . 11134 1 46 . ARG . 11134 1 47 . VAL . 11134 1 48 . LEU . 11134 1 49 . SER . 11134 1 50 . THR . 11134 1 51 . GLU . 11134 1 52 . GLU . 11134 1 53 . ARG . 11134 1 54 . LYS . 11134 1 55 . VAL . 11134 1 56 . TRP . 11134 1 57 . ALA . 11134 1 58 . ASN . 11134 1 59 . LYS . 11134 1 60 . ALA . 11134 1 61 . LYS . 11134 1 62 . GLY . 11134 1 63 . GLU . 11134 1 64 . THR . 11134 1 65 . ALA . 11134 1 66 . SER . 11134 1 67 . GLU . 11134 1 68 . GLY . 11134 1 69 . THR . 11134 1 70 . GLU . 11134 1 71 . ALA . 11134 1 72 . LYS . 11134 1 73 . LYS . 11134 1 74 . ARG . 11134 1 75 . LYS . 11134 1 76 . SER . 11134 1 77 . GLY . 11134 1 78 . PRO . 11134 1 79 . SER . 11134 1 80 . SER . 11134 1 81 . GLY . 11134 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 11134 1 . SER 2 2 11134 1 . SER 3 3 11134 1 . GLY 4 4 11134 1 . SER 5 5 11134 1 . SER 6 6 11134 1 . GLY 7 7 11134 1 . ARG 8 8 11134 1 . PRO 9 9 11134 1 . LYS 10 10 11134 1 . THR 11 11 11134 1 . GLY 12 12 11134 1 . PHE 13 13 11134 1 . GLN 14 14 11134 1 . MET 15 15 11134 1 . TRP 16 16 11134 1 . LEU 17 17 11134 1 . GLU 18 18 11134 1 . GLU 19 19 11134 1 . ASN 20 20 11134 1 . ARG 21 21 11134 1 . SER 22 22 11134 1 . ASN 23 23 11134 1 . ILE 24 24 11134 1 . LEU 25 25 11134 1 . SER 26 26 11134 1 . ASP 27 27 11134 1 . ASN 28 28 11134 1 . PRO 29 29 11134 1 . ASP 30 30 11134 1 . PHE 31 31 11134 1 . SER 32 32 11134 1 . ASP 33 33 11134 1 . GLU 34 34 11134 1 . ALA 35 35 11134 1 . ASP 36 36 11134 1 . ILE 37 37 11134 1 . ILE 38 38 11134 1 . LYS 39 39 11134 1 . GLU 40 40 11134 1 . GLY 41 41 11134 1 . MET 42 42 11134 1 . ILE 43 43 11134 1 . ARG 44 44 11134 1 . PHE 45 45 11134 1 . ARG 46 46 11134 1 . VAL 47 47 11134 1 . LEU 48 48 11134 1 . SER 49 49 11134 1 . THR 50 50 11134 1 . GLU 51 51 11134 1 . GLU 52 52 11134 1 . ARG 53 53 11134 1 . LYS 54 54 11134 1 . VAL 55 55 11134 1 . TRP 56 56 11134 1 . ALA 57 57 11134 1 . ASN 58 58 11134 1 . LYS 59 59 11134 1 . ALA 60 60 11134 1 . LYS 61 61 11134 1 . GLY 62 62 11134 1 . GLU 63 63 11134 1 . THR 64 64 11134 1 . ALA 65 65 11134 1 . SER 66 66 11134 1 . GLU 67 67 11134 1 . GLY 68 68 11134 1 . THR 69 69 11134 1 . GLU 70 70 11134 1 . ALA 71 71 11134 1 . LYS 72 72 11134 1 . LYS 73 73 11134 1 . ARG 74 74 11134 1 . LYS 75 75 11134 1 . SER 76 76 11134 1 . GLY 77 77 11134 1 . PRO 78 78 11134 1 . SER 79 79 11134 1 . SER 80 80 11134 1 . GLY 81 81 11134 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 11134 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11134 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 11134 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050111-08 . . . . . . 11134 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11134 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM HMG box domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HMG box domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11134 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11134 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11134 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11134 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11134 1 6 H2O . . . . . . solvent 90 . . % . . . . 11134 1 7 D2O . . . . . . solvent 10 . . % . . . . 11134 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11134 _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' 120 0.1 mM 11134 1 pH 7.0 0.05 pH 11134 1 pressure 1 0.001 atm 11134 1 temperature 298 0.1 K 11134 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11134 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11134 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11134 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11134 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11134 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11134 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11134 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11134 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11134 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11134 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11134 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11134 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11134 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11134 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11134 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11134 _NMR_spectrometer.ID 1 _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 11134 _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 . 800 . . . 11134 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 11134 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11134 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11134 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11134 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11134 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11134 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11134 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11134 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11134 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11134 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 $XWINNMR . . 11134 1 2 $NMRPipe . . 11134 1 3 $NMRview . . 11134 1 4 $Kujira . . 11134 1 5 $CYANA . . 11134 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 GLY HA2 H 1 3.781 0.030 . 1 . . . . 1 GLY HA2 . 11134 1 2 . 1 1 1 1 GLY HA3 H 1 3.781 0.030 . 1 . . . . 1 GLY HA3 . 11134 1 3 . 1 1 1 1 GLY CA C 13 41.350 0.300 . 1 . . . . 1 GLY CA . 11134 1 4 . 1 1 7 7 GLY HA2 H 1 3.877 0.030 . 1 . . . . 7 GLY HA2 . 11134 1 5 . 1 1 7 7 GLY HA3 H 1 3.877 0.030 . 1 . . . . 7 GLY HA3 . 11134 1 6 . 1 1 7 7 GLY CA C 13 42.872 0.300 . 1 . . . . 7 GLY CA . 11134 1 7 . 1 1 8 8 ARG H H 1 8.036 0.030 . 1 . . . . 8 ARG H . 11134 1 8 . 1 1 8 8 ARG HA H 1 4.562 0.030 . 1 . . . . 8 ARG HA . 11134 1 9 . 1 1 8 8 ARG HB2 H 1 1.767 0.030 . 2 . . . . 8 ARG HB2 . 11134 1 10 . 1 1 8 8 ARG HB3 H 1 1.640 0.030 . 2 . . . . 8 ARG HB3 . 11134 1 11 . 1 1 8 8 ARG HD2 H 1 3.135 0.030 . 1 . . . . 8 ARG HD2 . 11134 1 12 . 1 1 8 8 ARG HD3 H 1 3.135 0.030 . 1 . . . . 8 ARG HD3 . 11134 1 13 . 1 1 8 8 ARG HG2 H 1 1.589 0.030 . 1 . . . . 8 ARG HG2 . 11134 1 14 . 1 1 8 8 ARG HG3 H 1 1.589 0.030 . 1 . . . . 8 ARG HG3 . 11134 1 15 . 1 1 8 8 ARG CA C 13 51.531 0.300 . 1 . . . . 8 ARG CA . 11134 1 16 . 1 1 8 8 ARG CB C 13 27.825 0.300 . 1 . . . . 8 ARG CB . 11134 1 17 . 1 1 8 8 ARG CD C 13 40.996 0.300 . 1 . . . . 8 ARG CD . 11134 1 18 . 1 1 8 8 ARG CG C 13 24.398 0.300 . 1 . . . . 8 ARG CG . 11134 1 19 . 1 1 8 8 ARG N N 15 121.137 0.300 . 1 . . . . 8 ARG N . 11134 1 20 . 1 1 9 9 PRO HA H 1 4.362 0.030 . 1 . . . . 9 PRO HA . 11134 1 21 . 1 1 9 9 PRO HB2 H 1 2.214 0.030 . 2 . . . . 9 PRO HB2 . 11134 1 22 . 1 1 9 9 PRO HB3 H 1 1.814 0.030 . 2 . . . . 9 PRO HB3 . 11134 1 23 . 1 1 9 9 PRO HD2 H 1 3.543 0.030 . 2 . . . . 9 PRO HD2 . 11134 1 24 . 1 1 9 9 PRO HD3 H 1 3.759 0.030 . 2 . . . . 9 PRO HD3 . 11134 1 25 . 1 1 9 9 PRO HG2 H 1 1.975 0.030 . 2 . . . . 9 PRO HG2 . 11134 1 26 . 1 1 9 9 PRO HG3 H 1 1.926 0.030 . 2 . . . . 9 PRO HG3 . 11134 1 27 . 1 1 9 9 PRO CA C 13 60.806 0.300 . 1 . . . . 9 PRO CA . 11134 1 28 . 1 1 9 9 PRO CB C 13 29.894 0.300 . 1 . . . . 9 PRO CB . 11134 1 29 . 1 1 9 9 PRO CD C 13 48.345 0.300 . 1 . . . . 9 PRO CD . 11134 1 30 . 1 1 9 9 PRO CG C 13 25.187 0.300 . 1 . . . . 9 PRO CG . 11134 1 31 . 1 1 10 10 LYS H H 1 8.433 0.030 . 1 . . . . 10 LYS H . 11134 1 32 . 1 1 10 10 LYS HA H 1 4.474 0.030 . 1 . . . . 10 LYS HA . 11134 1 33 . 1 1 10 10 LYS HB2 H 1 1.729 0.030 . 1 . . . . 10 LYS HB2 . 11134 1 34 . 1 1 10 10 LYS HB3 H 1 1.729 0.030 . 1 . . . . 10 LYS HB3 . 11134 1 35 . 1 1 10 10 LYS HD2 H 1 1.581 0.030 . 2 . . . . 10 LYS HD2 . 11134 1 36 . 1 1 10 10 LYS HD3 H 1 1.665 0.030 . 2 . . . . 10 LYS HD3 . 11134 1 37 . 1 1 10 10 LYS HE2 H 1 2.911 0.030 . 1 . . . . 10 LYS HE2 . 11134 1 38 . 1 1 10 10 LYS HE3 H 1 2.911 0.030 . 1 . . . . 10 LYS HE3 . 11134 1 39 . 1 1 10 10 LYS HG2 H 1 1.497 0.030 . 2 . . . . 10 LYS HG2 . 11134 1 40 . 1 1 10 10 LYS HG3 H 1 1.406 0.030 . 2 . . . . 10 LYS HG3 . 11134 1 41 . 1 1 10 10 LYS CA C 13 53.823 0.300 . 1 . . . . 10 LYS CA . 11134 1 42 . 1 1 10 10 LYS CB C 13 32.029 0.300 . 1 . . . . 10 LYS CB . 11134 1 43 . 1 1 10 10 LYS CD C 13 27.214 0.300 . 1 . . . . 10 LYS CD . 11134 1 44 . 1 1 10 10 LYS CE C 13 39.841 0.300 . 1 . . . . 10 LYS CE . 11134 1 45 . 1 1 10 10 LYS CG C 13 23.126 0.300 . 1 . . . . 10 LYS CG . 11134 1 46 . 1 1 10 10 LYS N N 15 121.762 0.300 . 1 . . . . 10 LYS N . 11134 1 47 . 1 1 11 11 THR H H 1 7.937 0.030 . 1 . . . . 11 THR H . 11134 1 48 . 1 1 11 11 THR HA H 1 4.528 0.030 . 1 . . . . 11 THR HA . 11134 1 49 . 1 1 11 11 THR HB H 1 4.658 0.030 . 1 . . . . 11 THR HB . 11134 1 50 . 1 1 11 11 THR HG21 H 1 1.234 0.030 . 1 . . . . 11 THR HG2 . 11134 1 51 . 1 1 11 11 THR HG22 H 1 1.234 0.030 . 1 . . . . 11 THR HG2 . 11134 1 52 . 1 1 11 11 THR HG23 H 1 1.234 0.030 . 1 . . . . 11 THR HG2 . 11134 1 53 . 1 1 11 11 THR CA C 13 57.609 0.300 . 1 . . . . 11 THR CA . 11134 1 54 . 1 1 11 11 THR CB C 13 69.666 0.300 . 1 . . . . 11 THR CB . 11134 1 55 . 1 1 11 11 THR CG2 C 13 19.522 0.300 . 1 . . . . 11 THR CG2 . 11134 1 56 . 1 1 11 11 THR N N 15 110.500 0.300 . 1 . . . . 11 THR N . 11134 1 57 . 1 1 12 12 GLY H H 1 9.148 0.030 . 1 . . . . 12 GLY H . 11134 1 58 . 1 1 12 12 GLY HA2 H 1 3.821 0.030 . 2 . . . . 12 GLY HA2 . 11134 1 59 . 1 1 12 12 GLY HA3 H 1 3.940 0.030 . 2 . . . . 12 GLY HA3 . 11134 1 60 . 1 1 12 12 GLY C C 13 172.889 0.300 . 1 . . . . 12 GLY C . 11134 1 61 . 1 1 12 12 GLY CA C 13 45.182 0.300 . 1 . . . . 12 GLY CA . 11134 1 62 . 1 1 12 12 GLY N N 15 109.041 0.300 . 1 . . . . 12 GLY N . 11134 1 63 . 1 1 13 13 PHE H H 1 8.307 0.030 . 1 . . . . 13 PHE H . 11134 1 64 . 1 1 13 13 PHE HA H 1 2.983 0.030 . 1 . . . . 13 PHE HA . 11134 1 65 . 1 1 13 13 PHE HB2 H 1 2.311 0.030 . 2 . . . . 13 PHE HB2 . 11134 1 66 . 1 1 13 13 PHE HB3 H 1 2.431 0.030 . 2 . . . . 13 PHE HB3 . 11134 1 67 . 1 1 13 13 PHE HD1 H 1 6.329 0.030 . 1 . . . . 13 PHE HD1 . 11134 1 68 . 1 1 13 13 PHE HD2 H 1 6.329 0.030 . 1 . . . . 13 PHE HD2 . 11134 1 69 . 1 1 13 13 PHE HE1 H 1 6.901 0.030 . 1 . . . . 13 PHE HE1 . 11134 1 70 . 1 1 13 13 PHE HE2 H 1 6.901 0.030 . 1 . . . . 13 PHE HE2 . 11134 1 71 . 1 1 13 13 PHE HZ H 1 7.178 0.030 . 1 . . . . 13 PHE HZ . 11134 1 72 . 1 1 13 13 PHE C C 13 173.708 0.300 . 1 . . . . 13 PHE C . 11134 1 73 . 1 1 13 13 PHE CA C 13 58.028 0.300 . 1 . . . . 13 PHE CA . 11134 1 74 . 1 1 13 13 PHE CB C 13 36.352 0.300 . 1 . . . . 13 PHE CB . 11134 1 75 . 1 1 13 13 PHE CD1 C 13 129.787 0.300 . 1 . . . . 13 PHE CD1 . 11134 1 76 . 1 1 13 13 PHE CD2 C 13 129.787 0.300 . 1 . . . . 13 PHE CD2 . 11134 1 77 . 1 1 13 13 PHE CE1 C 13 128.086 0.300 . 1 . . . . 13 PHE CE1 . 11134 1 78 . 1 1 13 13 PHE CE2 C 13 128.086 0.300 . 1 . . . . 13 PHE CE2 . 11134 1 79 . 1 1 13 13 PHE CZ C 13 126.867 0.300 . 1 . . . . 13 PHE CZ . 11134 1 80 . 1 1 13 13 PHE N N 15 119.884 0.300 . 1 . . . . 13 PHE N . 11134 1 81 . 1 1 14 14 GLN H H 1 7.627 0.030 . 1 . . . . 14 GLN H . 11134 1 82 . 1 1 14 14 GLN HA H 1 3.265 0.030 . 1 . . . . 14 GLN HA . 11134 1 83 . 1 1 14 14 GLN HB2 H 1 1.874 0.030 . 2 . . . . 14 GLN HB2 . 11134 1 84 . 1 1 14 14 GLN HB3 H 1 2.172 0.030 . 2 . . . . 14 GLN HB3 . 11134 1 85 . 1 1 14 14 GLN HE21 H 1 6.732 0.030 . 2 . . . . 14 GLN HE21 . 11134 1 86 . 1 1 14 14 GLN HE22 H 1 7.589 0.030 . 2 . . . . 14 GLN HE22 . 11134 1 87 . 1 1 14 14 GLN HG2 H 1 2.391 0.030 . 2 . . . . 14 GLN HG2 . 11134 1 88 . 1 1 14 14 GLN HG3 H 1 2.316 0.030 . 2 . . . . 14 GLN HG3 . 11134 1 89 . 1 1 14 14 GLN C C 13 177.007 0.300 . 1 . . . . 14 GLN C . 11134 1 90 . 1 1 14 14 GLN CA C 13 56.799 0.300 . 1 . . . . 14 GLN CA . 11134 1 91 . 1 1 14 14 GLN CB C 13 25.994 0.300 . 1 . . . . 14 GLN CB . 11134 1 92 . 1 1 14 14 GLN CG C 13 32.211 0.300 . 1 . . . . 14 GLN CG . 11134 1 93 . 1 1 14 14 GLN N N 15 117.023 0.300 . 1 . . . . 14 GLN N . 11134 1 94 . 1 1 14 14 GLN NE2 N 15 110.879 0.300 . 1 . . . . 14 GLN NE2 . 11134 1 95 . 1 1 15 15 MET H H 1 7.935 0.030 . 1 . . . . 15 MET H . 11134 1 96 . 1 1 15 15 MET HA H 1 4.096 0.030 . 1 . . . . 15 MET HA . 11134 1 97 . 1 1 15 15 MET HB2 H 1 2.432 0.030 . 2 . . . . 15 MET HB2 . 11134 1 98 . 1 1 15 15 MET HB3 H 1 2.370 0.030 . 2 . . . . 15 MET HB3 . 11134 1 99 . 1 1 15 15 MET HE1 H 1 2.098 0.030 . 1 . . . . 15 MET HE . 11134 1 100 . 1 1 15 15 MET HE2 H 1 2.098 0.030 . 1 . . . . 15 MET HE . 11134 1 101 . 1 1 15 15 MET HE3 H 1 2.098 0.030 . 1 . . . . 15 MET HE . 11134 1 102 . 1 1 15 15 MET HG2 H 1 2.675 0.030 . 1 . . . . 15 MET HG2 . 11134 1 103 . 1 1 15 15 MET HG3 H 1 2.675 0.030 . 1 . . . . 15 MET HG3 . 11134 1 104 . 1 1 15 15 MET C C 13 175.497 0.300 . 1 . . . . 15 MET C . 11134 1 105 . 1 1 15 15 MET CA C 13 56.309 0.300 . 1 . . . . 15 MET CA . 11134 1 106 . 1 1 15 15 MET CB C 13 30.285 0.300 . 1 . . . . 15 MET CB . 11134 1 107 . 1 1 15 15 MET CE C 13 15.495 0.300 . 1 . . . . 15 MET CE . 11134 1 108 . 1 1 15 15 MET CG C 13 30.634 0.300 . 1 . . . . 15 MET CG . 11134 1 109 . 1 1 15 15 MET N N 15 118.093 0.300 . 1 . . . . 15 MET N . 11134 1 110 . 1 1 16 16 TRP H H 1 8.156 0.030 . 1 . . . . 16 TRP H . 11134 1 111 . 1 1 16 16 TRP HA H 1 2.243 0.030 . 1 . . . . 16 TRP HA . 11134 1 112 . 1 1 16 16 TRP HB2 H 1 1.690 0.030 . 2 . . . . 16 TRP HB2 . 11134 1 113 . 1 1 16 16 TRP HB3 H 1 2.671 0.030 . 2 . . . . 16 TRP HB3 . 11134 1 114 . 1 1 16 16 TRP HD1 H 1 5.996 0.030 . 1 . . . . 16 TRP HD1 . 11134 1 115 . 1 1 16 16 TRP HE1 H 1 10.221 0.030 . 1 . . . . 16 TRP HE1 . 11134 1 116 . 1 1 16 16 TRP HE3 H 1 6.698 0.030 . 1 . . . . 16 TRP HE3 . 11134 1 117 . 1 1 16 16 TRP HH2 H 1 6.916 0.030 . 1 . . . . 16 TRP HH2 . 11134 1 118 . 1 1 16 16 TRP HZ2 H 1 7.244 0.030 . 1 . . . . 16 TRP HZ2 . 11134 1 119 . 1 1 16 16 TRP HZ3 H 1 6.662 0.030 . 1 . . . . 16 TRP HZ3 . 11134 1 120 . 1 1 16 16 TRP C C 13 177.217 0.300 . 1 . . . . 16 TRP C . 11134 1 121 . 1 1 16 16 TRP CA C 13 59.251 0.300 . 1 . . . . 16 TRP CA . 11134 1 122 . 1 1 16 16 TRP CB C 13 26.115 0.300 . 1 . . . . 16 TRP CB . 11134 1 123 . 1 1 16 16 TRP CD1 C 13 123.965 0.300 . 1 . . . . 16 TRP CD1 . 11134 1 124 . 1 1 16 16 TRP CE3 C 13 117.205 0.300 . 1 . . . . 16 TRP CE3 . 11134 1 125 . 1 1 16 16 TRP CH2 C 13 121.784 0.300 . 1 . . . . 16 TRP CH2 . 11134 1 126 . 1 1 16 16 TRP CZ2 C 13 111.432 0.300 . 1 . . . . 16 TRP CZ2 . 11134 1 127 . 1 1 16 16 TRP CZ3 C 13 118.701 0.300 . 1 . . . . 16 TRP CZ3 . 11134 1 128 . 1 1 16 16 TRP N N 15 123.216 0.300 . 1 . . . . 16 TRP N . 11134 1 129 . 1 1 16 16 TRP NE1 N 15 131.161 0.300 . 1 . . . . 16 TRP NE1 . 11134 1 130 . 1 1 17 17 LEU H H 1 8.851 0.030 . 1 . . . . 17 LEU H . 11134 1 131 . 1 1 17 17 LEU HA H 1 3.110 0.030 . 1 . . . . 17 LEU HA . 11134 1 132 . 1 1 17 17 LEU HB2 H 1 0.557 0.030 . 2 . . . . 17 LEU HB2 . 11134 1 133 . 1 1 17 17 LEU HB3 H 1 1.352 0.030 . 2 . . . . 17 LEU HB3 . 11134 1 134 . 1 1 17 17 LEU HD11 H 1 0.628 0.030 . 1 . . . . 17 LEU HD1 . 11134 1 135 . 1 1 17 17 LEU HD12 H 1 0.628 0.030 . 1 . . . . 17 LEU HD1 . 11134 1 136 . 1 1 17 17 LEU HD13 H 1 0.628 0.030 . 1 . . . . 17 LEU HD1 . 11134 1 137 . 1 1 17 17 LEU HD21 H 1 0.684 0.030 . 1 . . . . 17 LEU HD2 . 11134 1 138 . 1 1 17 17 LEU HD22 H 1 0.684 0.030 . 1 . . . . 17 LEU HD2 . 11134 1 139 . 1 1 17 17 LEU HD23 H 1 0.684 0.030 . 1 . . . . 17 LEU HD2 . 11134 1 140 . 1 1 17 17 LEU HG H 1 1.254 0.030 . 1 . . . . 17 LEU HG . 11134 1 141 . 1 1 17 17 LEU C C 13 175.896 0.300 . 1 . . . . 17 LEU C . 11134 1 142 . 1 1 17 17 LEU CA C 13 55.414 0.300 . 1 . . . . 17 LEU CA . 11134 1 143 . 1 1 17 17 LEU CB C 13 38.256 0.300 . 1 . . . . 17 LEU CB . 11134 1 144 . 1 1 17 17 LEU CD1 C 13 21.568 0.300 . 2 . . . . 17 LEU CD1 . 11134 1 145 . 1 1 17 17 LEU CD2 C 13 23.856 0.300 . 2 . . . . 17 LEU CD2 . 11134 1 146 . 1 1 17 17 LEU CG C 13 24.332 0.300 . 1 . . . . 17 LEU CG . 11134 1 147 . 1 1 17 17 LEU N N 15 122.498 0.300 . 1 . . . . 17 LEU N . 11134 1 148 . 1 1 18 18 GLU H H 1 7.370 0.030 . 1 . . . . 18 GLU H . 11134 1 149 . 1 1 18 18 GLU HA H 1 3.796 0.030 . 1 . . . . 18 GLU HA . 11134 1 150 . 1 1 18 18 GLU HB2 H 1 1.980 0.030 . 1 . . . . 18 GLU HB2 . 11134 1 151 . 1 1 18 18 GLU HB3 H 1 1.980 0.030 . 1 . . . . 18 GLU HB3 . 11134 1 152 . 1 1 18 18 GLU HG2 H 1 2.226 0.030 . 2 . . . . 18 GLU HG2 . 11134 1 153 . 1 1 18 18 GLU HG3 H 1 2.360 0.030 . 2 . . . . 18 GLU HG3 . 11134 1 154 . 1 1 18 18 GLU C C 13 176.986 0.300 . 1 . . . . 18 GLU C . 11134 1 155 . 1 1 18 18 GLU CA C 13 56.920 0.300 . 1 . . . . 18 GLU CA . 11134 1 156 . 1 1 18 18 GLU CB C 13 26.634 0.300 . 1 . . . . 18 GLU CB . 11134 1 157 . 1 1 18 18 GLU CG C 13 33.736 0.300 . 1 . . . . 18 GLU CG . 11134 1 158 . 1 1 18 18 GLU N N 15 116.898 0.300 . 1 . . . . 18 GLU N . 11134 1 159 . 1 1 19 19 GLU H H 1 6.778 0.030 . 1 . . . . 19 GLU H . 11134 1 160 . 1 1 19 19 GLU HA H 1 4.122 0.030 . 1 . . . . 19 GLU HA . 11134 1 161 . 1 1 19 19 GLU HB2 H 1 1.725 0.030 . 2 . . . . 19 GLU HB2 . 11134 1 162 . 1 1 19 19 GLU HB3 H 1 1.883 0.030 . 2 . . . . 19 GLU HB3 . 11134 1 163 . 1 1 19 19 GLU HG2 H 1 2.309 0.030 . 2 . . . . 19 GLU HG2 . 11134 1 164 . 1 1 19 19 GLU HG3 H 1 2.175 0.030 . 2 . . . . 19 GLU HG3 . 11134 1 165 . 1 1 19 19 GLU C C 13 174.853 0.300 . 1 . . . . 19 GLU C . 11134 1 166 . 1 1 19 19 GLU CA C 13 55.319 0.300 . 1 . . . . 19 GLU CA . 11134 1 167 . 1 1 19 19 GLU CB C 13 27.628 0.300 . 1 . . . . 19 GLU CB . 11134 1 168 . 1 1 19 19 GLU CG C 13 34.090 0.300 . 1 . . . . 19 GLU CG . 11134 1 169 . 1 1 19 19 GLU N N 15 115.197 0.300 . 1 . . . . 19 GLU N . 11134 1 170 . 1 1 20 20 ASN H H 1 7.261 0.030 . 1 . . . . 20 ASN H . 11134 1 171 . 1 1 20 20 ASN HA H 1 4.423 0.030 . 1 . . . . 20 ASN HA . 11134 1 172 . 1 1 20 20 ASN HB2 H 1 0.491 0.030 . 2 . . . . 20 ASN HB2 . 11134 1 173 . 1 1 20 20 ASN HB3 H 1 1.736 0.030 . 2 . . . . 20 ASN HB3 . 11134 1 174 . 1 1 20 20 ASN HD21 H 1 5.603 0.030 . 2 . . . . 20 ASN HD21 . 11134 1 175 . 1 1 20 20 ASN HD22 H 1 6.350 0.030 . 2 . . . . 20 ASN HD22 . 11134 1 176 . 1 1 20 20 ASN C C 13 172.713 0.300 . 1 . . . . 20 ASN C . 11134 1 177 . 1 1 20 20 ASN CA C 13 52.245 0.300 . 1 . . . . 20 ASN CA . 11134 1 178 . 1 1 20 20 ASN CB C 13 37.908 0.300 . 1 . . . . 20 ASN CB . 11134 1 179 . 1 1 20 20 ASN N N 15 115.460 0.300 . 1 . . . . 20 ASN N . 11134 1 180 . 1 1 20 20 ASN ND2 N 15 113.092 0.300 . 1 . . . . 20 ASN ND2 . 11134 1 181 . 1 1 21 21 ARG H H 1 7.945 0.030 . 1 . . . . 21 ARG H . 11134 1 182 . 1 1 21 21 ARG HA H 1 3.486 0.030 . 1 . . . . 21 ARG HA . 11134 1 183 . 1 1 21 21 ARG HB2 H 1 1.597 0.030 . 2 . . . . 21 ARG HB2 . 11134 1 184 . 1 1 21 21 ARG HB3 H 1 1.828 0.030 . 2 . . . . 21 ARG HB3 . 11134 1 185 . 1 1 21 21 ARG HD2 H 1 3.161 0.030 . 2 . . . . 21 ARG HD2 . 11134 1 186 . 1 1 21 21 ARG HD3 H 1 2.971 0.030 . 2 . . . . 21 ARG HD3 . 11134 1 187 . 1 1 21 21 ARG HE H 1 7.659 0.030 . 1 . . . . 21 ARG HE . 11134 1 188 . 1 1 21 21 ARG HG2 H 1 1.413 0.030 . 2 . . . . 21 ARG HG2 . 11134 1 189 . 1 1 21 21 ARG HG3 H 1 1.321 0.030 . 2 . . . . 21 ARG HG3 . 11134 1 190 . 1 1 21 21 ARG C C 13 174.819 0.300 . 1 . . . . 21 ARG C . 11134 1 191 . 1 1 21 21 ARG CA C 13 58.774 0.300 . 1 . . . . 21 ARG CA . 11134 1 192 . 1 1 21 21 ARG CB C 13 27.514 0.300 . 1 . . . . 21 ARG CB . 11134 1 193 . 1 1 21 21 ARG CD C 13 40.487 0.300 . 1 . . . . 21 ARG CD . 11134 1 194 . 1 1 21 21 ARG CG C 13 25.599 0.300 . 1 . . . . 21 ARG CG . 11134 1 195 . 1 1 21 21 ARG N N 15 124.351 0.300 . 1 . . . . 21 ARG N . 11134 1 196 . 1 1 21 21 ARG NE N 15 82.468 0.300 . 1 . . . . 21 ARG NE . 11134 1 197 . 1 1 22 22 SER H H 1 8.467 0.030 . 1 . . . . 22 SER H . 11134 1 198 . 1 1 22 22 SER HA H 1 3.985 0.030 . 1 . . . . 22 SER HA . 11134 1 199 . 1 1 22 22 SER HB2 H 1 3.756 0.030 . 1 . . . . 22 SER HB2 . 11134 1 200 . 1 1 22 22 SER HB3 H 1 3.756 0.030 . 1 . . . . 22 SER HB3 . 11134 1 201 . 1 1 22 22 SER C C 13 174.615 0.300 . 1 . . . . 22 SER C . 11134 1 202 . 1 1 22 22 SER CA C 13 59.485 0.300 . 1 . . . . 22 SER CA . 11134 1 203 . 1 1 22 22 SER CB C 13 59.534 0.300 . 1 . . . . 22 SER CB . 11134 1 204 . 1 1 22 22 SER N N 15 112.516 0.300 . 1 . . . . 22 SER N . 11134 1 205 . 1 1 23 23 ASN H H 1 7.569 0.030 . 1 . . . . 23 ASN H . 11134 1 206 . 1 1 23 23 ASN HA H 1 4.374 0.030 . 1 . . . . 23 ASN HA . 11134 1 207 . 1 1 23 23 ASN HB2 H 1 2.806 0.030 . 2 . . . . 23 ASN HB2 . 11134 1 208 . 1 1 23 23 ASN HB3 H 1 2.772 0.030 . 2 . . . . 23 ASN HB3 . 11134 1 209 . 1 1 23 23 ASN HD21 H 1 7.335 0.030 . 2 . . . . 23 ASN HD21 . 11134 1 210 . 1 1 23 23 ASN HD22 H 1 6.923 0.030 . 2 . . . . 23 ASN HD22 . 11134 1 211 . 1 1 23 23 ASN C C 13 174.852 0.300 . 1 . . . . 23 ASN C . 11134 1 212 . 1 1 23 23 ASN CA C 13 53.602 0.300 . 1 . . . . 23 ASN CA . 11134 1 213 . 1 1 23 23 ASN CB C 13 35.678 0.300 . 1 . . . . 23 ASN CB . 11134 1 214 . 1 1 23 23 ASN N N 15 121.647 0.300 . 1 . . . . 23 ASN N . 11134 1 215 . 1 1 23 23 ASN ND2 N 15 112.019 0.300 . 1 . . . . 23 ASN ND2 . 11134 1 216 . 1 1 24 24 ILE H H 1 7.766 0.030 . 1 . . . . 24 ILE H . 11134 1 217 . 1 1 24 24 ILE HA H 1 3.410 0.030 . 1 . . . . 24 ILE HA . 11134 1 218 . 1 1 24 24 ILE HB H 1 1.927 0.030 . 1 . . . . 24 ILE HB . 11134 1 219 . 1 1 24 24 ILE HD11 H 1 0.819 0.030 . 1 . . . . 24 ILE HD1 . 11134 1 220 . 1 1 24 24 ILE HD12 H 1 0.819 0.030 . 1 . . . . 24 ILE HD1 . 11134 1 221 . 1 1 24 24 ILE HD13 H 1 0.819 0.030 . 1 . . . . 24 ILE HD1 . 11134 1 222 . 1 1 24 24 ILE HG12 H 1 0.722 0.030 . 2 . . . . 24 ILE HG12 . 11134 1 223 . 1 1 24 24 ILE HG13 H 1 1.799 0.030 . 2 . . . . 24 ILE HG13 . 11134 1 224 . 1 1 24 24 ILE HG21 H 1 1.021 0.030 . 1 . . . . 24 ILE HG2 . 11134 1 225 . 1 1 24 24 ILE HG22 H 1 1.021 0.030 . 1 . . . . 24 ILE HG2 . 11134 1 226 . 1 1 24 24 ILE HG23 H 1 1.021 0.030 . 1 . . . . 24 ILE HG2 . 11134 1 227 . 1 1 24 24 ILE C C 13 176.263 0.300 . 1 . . . . 24 ILE C . 11134 1 228 . 1 1 24 24 ILE CA C 13 63.797 0.300 . 1 . . . . 24 ILE CA . 11134 1 229 . 1 1 24 24 ILE CB C 13 35.990 0.300 . 1 . . . . 24 ILE CB . 11134 1 230 . 1 1 24 24 ILE CD1 C 13 11.856 0.300 . 1 . . . . 24 ILE CD1 . 11134 1 231 . 1 1 24 24 ILE CG1 C 13 26.982 0.300 . 1 . . . . 24 ILE CG1 . 11134 1 232 . 1 1 24 24 ILE CG2 C 13 15.451 0.300 . 1 . . . . 24 ILE CG2 . 11134 1 233 . 1 1 24 24 ILE N N 15 120.046 0.300 . 1 . . . . 24 ILE N . 11134 1 234 . 1 1 25 25 LEU H H 1 8.075 0.030 . 1 . . . . 25 LEU H . 11134 1 235 . 1 1 25 25 LEU HA H 1 3.939 0.030 . 1 . . . . 25 LEU HA . 11134 1 236 . 1 1 25 25 LEU HB2 H 1 1.436 0.030 . 2 . . . . 25 LEU HB2 . 11134 1 237 . 1 1 25 25 LEU HB3 H 1 1.643 0.030 . 2 . . . . 25 LEU HB3 . 11134 1 238 . 1 1 25 25 LEU HD11 H 1 0.819 0.030 . 1 . . . . 25 LEU HD1 . 11134 1 239 . 1 1 25 25 LEU HD12 H 1 0.819 0.030 . 1 . . . . 25 LEU HD1 . 11134 1 240 . 1 1 25 25 LEU HD13 H 1 0.819 0.030 . 1 . . . . 25 LEU HD1 . 11134 1 241 . 1 1 25 25 LEU HD21 H 1 0.883 0.030 . 1 . . . . 25 LEU HD2 . 11134 1 242 . 1 1 25 25 LEU HD22 H 1 0.883 0.030 . 1 . . . . 25 LEU HD2 . 11134 1 243 . 1 1 25 25 LEU HD23 H 1 0.883 0.030 . 1 . . . . 25 LEU HD2 . 11134 1 244 . 1 1 25 25 LEU HG H 1 1.608 0.030 . 1 . . . . 25 LEU HG . 11134 1 245 . 1 1 25 25 LEU C C 13 177.017 0.300 . 1 . . . . 25 LEU C . 11134 1 246 . 1 1 25 25 LEU CA C 13 54.881 0.300 . 1 . . . . 25 LEU CA . 11134 1 247 . 1 1 25 25 LEU CB C 13 39.393 0.300 . 1 . . . . 25 LEU CB . 11134 1 248 . 1 1 25 25 LEU CD1 C 13 22.747 0.300 . 2 . . . . 25 LEU CD1 . 11134 1 249 . 1 1 25 25 LEU CD2 C 13 20.957 0.300 . 2 . . . . 25 LEU CD2 . 11134 1 250 . 1 1 25 25 LEU CG C 13 25.055 0.300 . 1 . . . . 25 LEU CG . 11134 1 251 . 1 1 25 25 LEU N N 15 119.181 0.300 . 1 . . . . 25 LEU N . 11134 1 252 . 1 1 26 26 SER H H 1 7.975 0.030 . 1 . . . . 26 SER H . 11134 1 253 . 1 1 26 26 SER HA H 1 3.994 0.030 . 1 . . . . 26 SER HA . 11134 1 254 . 1 1 26 26 SER HB2 H 1 3.871 0.030 . 1 . . . . 26 SER HB2 . 11134 1 255 . 1 1 26 26 SER HB3 H 1 3.871 0.030 . 1 . . . . 26 SER HB3 . 11134 1 256 . 1 1 26 26 SER C C 13 174.094 0.300 . 1 . . . . 26 SER C . 11134 1 257 . 1 1 26 26 SER CA C 13 59.006 0.300 . 1 . . . . 26 SER CA . 11134 1 258 . 1 1 26 26 SER CB C 13 60.422 0.300 . 1 . . . . 26 SER CB . 11134 1 259 . 1 1 26 26 SER N N 15 114.851 0.300 . 1 . . . . 26 SER N . 11134 1 260 . 1 1 27 27 ASP H H 1 7.218 0.030 . 1 . . . . 27 ASP H . 11134 1 261 . 1 1 27 27 ASP HA H 1 4.396 0.030 . 1 . . . . 27 ASP HA . 11134 1 262 . 1 1 27 27 ASP HB2 H 1 2.446 0.030 . 2 . . . . 27 ASP HB2 . 11134 1 263 . 1 1 27 27 ASP HB3 H 1 2.546 0.030 . 2 . . . . 27 ASP HB3 . 11134 1 264 . 1 1 27 27 ASP C C 13 173.469 0.300 . 1 . . . . 27 ASP C . 11134 1 265 . 1 1 27 27 ASP CA C 13 52.998 0.300 . 1 . . . . 27 ASP CA . 11134 1 266 . 1 1 27 27 ASP CB C 13 39.507 0.300 . 1 . . . . 27 ASP CB . 11134 1 267 . 1 1 27 27 ASP N N 15 117.284 0.300 . 1 . . . . 27 ASP N . 11134 1 268 . 1 1 28 28 ASN H H 1 7.198 0.030 . 1 . . . . 28 ASN H . 11134 1 269 . 1 1 28 28 ASN HA H 1 4.709 0.030 . 1 . . . . 28 ASN HA . 11134 1 270 . 1 1 28 28 ASN HB2 H 1 0.607 0.030 . 2 . . . . 28 ASN HB2 . 11134 1 271 . 1 1 28 28 ASN HB3 H 1 1.780 0.030 . 2 . . . . 28 ASN HB3 . 11134 1 272 . 1 1 28 28 ASN HD21 H 1 7.118 0.030 . 1 . . . . 28 ASN HD21 . 11134 1 273 . 1 1 28 28 ASN HD22 H 1 7.118 0.030 . 1 . . . . 28 ASN HD22 . 11134 1 274 . 1 1 28 28 ASN C C 13 168.748 0.300 . 1 . . . . 28 ASN C . 11134 1 275 . 1 1 28 28 ASN CA C 13 48.905 0.300 . 1 . . . . 28 ASN CA . 11134 1 276 . 1 1 28 28 ASN CB C 13 36.679 0.300 . 1 . . . . 28 ASN CB . 11134 1 277 . 1 1 28 28 ASN N N 15 116.665 0.300 . 1 . . . . 28 ASN N . 11134 1 278 . 1 1 28 28 ASN ND2 N 15 113.382 0.300 . 1 . . . . 28 ASN ND2 . 11134 1 279 . 1 1 29 29 PRO HA H 1 4.388 0.030 . 1 . . . . 29 PRO HA . 11134 1 280 . 1 1 29 29 PRO HB2 H 1 1.848 0.030 . 2 . . . . 29 PRO HB2 . 11134 1 281 . 1 1 29 29 PRO HB3 H 1 2.197 0.030 . 2 . . . . 29 PRO HB3 . 11134 1 282 . 1 1 29 29 PRO HD2 H 1 3.432 0.030 . 2 . . . . 29 PRO HD2 . 11134 1 283 . 1 1 29 29 PRO HD3 H 1 3.166 0.030 . 2 . . . . 29 PRO HD3 . 11134 1 284 . 1 1 29 29 PRO HG2 H 1 1.845 0.030 . 2 . . . . 29 PRO HG2 . 11134 1 285 . 1 1 29 29 PRO HG3 H 1 1.741 0.030 . 2 . . . . 29 PRO HG3 . 11134 1 286 . 1 1 29 29 PRO C C 13 174.856 0.300 . 1 . . . . 29 PRO C . 11134 1 287 . 1 1 29 29 PRO CA C 13 62.127 0.300 . 1 . . . . 29 PRO CA . 11134 1 288 . 1 1 29 29 PRO CB C 13 29.558 0.300 . 1 . . . . 29 PRO CB . 11134 1 289 . 1 1 29 29 PRO CD C 13 47.741 0.300 . 1 . . . . 29 PRO CD . 11134 1 290 . 1 1 29 29 PRO CG C 13 24.762 0.300 . 1 . . . . 29 PRO CG . 11134 1 291 . 1 1 30 30 ASP H H 1 8.416 0.030 . 1 . . . . 30 ASP H . 11134 1 292 . 1 1 30 30 ASP HA H 1 4.538 0.030 . 1 . . . . 30 ASP HA . 11134 1 293 . 1 1 30 30 ASP HB2 H 1 2.549 0.030 . 2 . . . . 30 ASP HB2 . 11134 1 294 . 1 1 30 30 ASP HB3 H 1 2.664 0.030 . 2 . . . . 30 ASP HB3 . 11134 1 295 . 1 1 30 30 ASP C C 13 174.948 0.300 . 1 . . . . 30 ASP C . 11134 1 296 . 1 1 30 30 ASP CA C 13 51.776 0.300 . 1 . . . . 30 ASP CA . 11134 1 297 . 1 1 30 30 ASP CB C 13 38.001 0.300 . 1 . . . . 30 ASP CB . 11134 1 298 . 1 1 30 30 ASP N N 15 115.300 0.300 . 1 . . . . 30 ASP N . 11134 1 299 . 1 1 31 31 PHE H H 1 7.715 0.030 . 1 . . . . 31 PHE H . 11134 1 300 . 1 1 31 31 PHE HA H 1 4.869 0.030 . 1 . . . . 31 PHE HA . 11134 1 301 . 1 1 31 31 PHE HB2 H 1 2.824 0.030 . 2 . . . . 31 PHE HB2 . 11134 1 302 . 1 1 31 31 PHE HB3 H 1 3.329 0.030 . 2 . . . . 31 PHE HB3 . 11134 1 303 . 1 1 31 31 PHE HD1 H 1 6.872 0.030 . 1 . . . . 31 PHE HD1 . 11134 1 304 . 1 1 31 31 PHE HD2 H 1 6.872 0.030 . 1 . . . . 31 PHE HD2 . 11134 1 305 . 1 1 31 31 PHE HE1 H 1 7.083 0.030 . 1 . . . . 31 PHE HE1 . 11134 1 306 . 1 1 31 31 PHE HE2 H 1 7.083 0.030 . 1 . . . . 31 PHE HE2 . 11134 1 307 . 1 1 31 31 PHE HZ H 1 7.080 0.030 . 1 . . . . 31 PHE HZ . 11134 1 308 . 1 1 31 31 PHE C C 13 173.748 0.300 . 1 . . . . 31 PHE C . 11134 1 309 . 1 1 31 31 PHE CA C 13 52.941 0.300 . 1 . . . . 31 PHE CA . 11134 1 310 . 1 1 31 31 PHE CB C 13 34.772 0.300 . 1 . . . . 31 PHE CB . 11134 1 311 . 1 1 31 31 PHE CD1 C 13 126.680 0.300 . 1 . . . . 31 PHE CD1 . 11134 1 312 . 1 1 31 31 PHE CD2 C 13 126.680 0.300 . 1 . . . . 31 PHE CD2 . 11134 1 313 . 1 1 31 31 PHE CE1 C 13 129.183 0.300 . 1 . . . . 31 PHE CE1 . 11134 1 314 . 1 1 31 31 PHE CE2 C 13 129.183 0.300 . 1 . . . . 31 PHE CE2 . 11134 1 315 . 1 1 31 31 PHE CZ C 13 127.297 0.300 . 1 . . . . 31 PHE CZ . 11134 1 316 . 1 1 31 31 PHE N N 15 120.404 0.300 . 1 . . . . 31 PHE N . 11134 1 317 . 1 1 32 32 SER H H 1 8.863 0.030 . 1 . . . . 32 SER H . 11134 1 318 . 1 1 32 32 SER HA H 1 4.443 0.030 . 1 . . . . 32 SER HA . 11134 1 319 . 1 1 32 32 SER HB2 H 1 3.693 0.030 . 2 . . . . 32 SER HB2 . 11134 1 320 . 1 1 32 32 SER HB3 H 1 3.858 0.030 . 2 . . . . 32 SER HB3 . 11134 1 321 . 1 1 32 32 SER C C 13 171.220 0.300 . 1 . . . . 32 SER C . 11134 1 322 . 1 1 32 32 SER CA C 13 56.259 0.300 . 1 . . . . 32 SER CA . 11134 1 323 . 1 1 32 32 SER CB C 13 62.567 0.300 . 1 . . . . 32 SER CB . 11134 1 324 . 1 1 32 32 SER N N 15 115.719 0.300 . 1 . . . . 32 SER N . 11134 1 325 . 1 1 33 33 ASP H H 1 8.194 0.030 . 1 . . . . 33 ASP H . 11134 1 326 . 1 1 33 33 ASP HA H 1 4.728 0.030 . 1 . . . . 33 ASP HA . 11134 1 327 . 1 1 33 33 ASP HB2 H 1 2.534 0.030 . 2 . . . . 33 ASP HB2 . 11134 1 328 . 1 1 33 33 ASP HB3 H 1 2.690 0.030 . 2 . . . . 33 ASP HB3 . 11134 1 329 . 1 1 33 33 ASP C C 13 174.473 0.300 . 1 . . . . 33 ASP C . 11134 1 330 . 1 1 33 33 ASP CA C 13 51.110 0.300 . 1 . . . . 33 ASP CA . 11134 1 331 . 1 1 33 33 ASP CB C 13 40.938 0.300 . 1 . . . . 33 ASP CB . 11134 1 332 . 1 1 33 33 ASP N N 15 123.098 0.300 . 1 . . . . 33 ASP N . 11134 1 333 . 1 1 34 34 GLU H H 1 8.787 0.030 . 1 . . . . 34 GLU H . 11134 1 334 . 1 1 34 34 GLU HA H 1 3.977 0.030 . 1 . . . . 34 GLU HA . 11134 1 335 . 1 1 34 34 GLU HB2 H 1 1.832 0.030 . 2 . . . . 34 GLU HB2 . 11134 1 336 . 1 1 34 34 GLU HB3 H 1 2.006 0.030 . 2 . . . . 34 GLU HB3 . 11134 1 337 . 1 1 34 34 GLU HG2 H 1 2.267 0.030 . 1 . . . . 34 GLU HG2 . 11134 1 338 . 1 1 34 34 GLU HG3 H 1 2.267 0.030 . 1 . . . . 34 GLU HG3 . 11134 1 339 . 1 1 34 34 GLU C C 13 175.647 0.300 . 1 . . . . 34 GLU C . 11134 1 340 . 1 1 34 34 GLU CA C 13 56.412 0.300 . 1 . . . . 34 GLU CA . 11134 1 341 . 1 1 34 34 GLU CB C 13 27.195 0.300 . 1 . . . . 34 GLU CB . 11134 1 342 . 1 1 34 34 GLU CG C 13 32.381 0.300 . 1 . . . . 34 GLU CG . 11134 1 343 . 1 1 34 34 GLU N N 15 127.123 0.300 . 1 . . . . 34 GLU N . 11134 1 344 . 1 1 35 35 ALA H H 1 8.694 0.030 . 1 . . . . 35 ALA H . 11134 1 345 . 1 1 35 35 ALA HA H 1 3.895 0.030 . 1 . . . . 35 ALA HA . 11134 1 346 . 1 1 35 35 ALA HB1 H 1 1.257 0.030 . 1 . . . . 35 ALA HB . 11134 1 347 . 1 1 35 35 ALA HB2 H 1 1.257 0.030 . 1 . . . . 35 ALA HB . 11134 1 348 . 1 1 35 35 ALA HB3 H 1 1.257 0.030 . 1 . . . . 35 ALA HB . 11134 1 349 . 1 1 35 35 ALA C C 13 178.657 0.300 . 1 . . . . 35 ALA C . 11134 1 350 . 1 1 35 35 ALA CA C 13 52.991 0.300 . 1 . . . . 35 ALA CA . 11134 1 351 . 1 1 35 35 ALA CB C 13 15.984 0.300 . 1 . . . . 35 ALA CB . 11134 1 352 . 1 1 35 35 ALA N N 15 118.648 0.300 . 1 . . . . 35 ALA N . 11134 1 353 . 1 1 36 36 ASP H H 1 7.247 0.030 . 1 . . . . 36 ASP H . 11134 1 354 . 1 1 36 36 ASP HA H 1 4.061 0.030 . 1 . . . . 36 ASP HA . 11134 1 355 . 1 1 36 36 ASP HB2 H 1 2.076 0.030 . 2 . . . . 36 ASP HB2 . 11134 1 356 . 1 1 36 36 ASP HB3 H 1 1.090 0.030 . 2 . . . . 36 ASP HB3 . 11134 1 357 . 1 1 36 36 ASP C C 13 175.588 0.300 . 1 . . . . 36 ASP C . 11134 1 358 . 1 1 36 36 ASP CA C 13 54.774 0.300 . 1 . . . . 36 ASP CA . 11134 1 359 . 1 1 36 36 ASP CB C 13 37.489 0.300 . 1 . . . . 36 ASP CB . 11134 1 360 . 1 1 36 36 ASP N N 15 116.500 0.300 . 1 . . . . 36 ASP N . 11134 1 361 . 1 1 37 37 ILE H H 1 6.912 0.030 . 1 . . . . 37 ILE H . 11134 1 362 . 1 1 37 37 ILE HA H 1 3.462 0.030 . 1 . . . . 37 ILE HA . 11134 1 363 . 1 1 37 37 ILE HB H 1 2.035 0.030 . 1 . . . . 37 ILE HB . 11134 1 364 . 1 1 37 37 ILE HD11 H 1 0.817 0.030 . 1 . . . . 37 ILE HD1 . 11134 1 365 . 1 1 37 37 ILE HD12 H 1 0.817 0.030 . 1 . . . . 37 ILE HD1 . 11134 1 366 . 1 1 37 37 ILE HD13 H 1 0.817 0.030 . 1 . . . . 37 ILE HD1 . 11134 1 367 . 1 1 37 37 ILE HG12 H 1 1.645 0.030 . 2 . . . . 37 ILE HG12 . 11134 1 368 . 1 1 37 37 ILE HG13 H 1 0.891 0.030 . 2 . . . . 37 ILE HG13 . 11134 1 369 . 1 1 37 37 ILE HG21 H 1 0.838 0.030 . 1 . . . . 37 ILE HG2 . 11134 1 370 . 1 1 37 37 ILE HG22 H 1 0.838 0.030 . 1 . . . . 37 ILE HG2 . 11134 1 371 . 1 1 37 37 ILE HG23 H 1 0.838 0.030 . 1 . . . . 37 ILE HG2 . 11134 1 372 . 1 1 37 37 ILE C C 13 175.576 0.300 . 1 . . . . 37 ILE C . 11134 1 373 . 1 1 37 37 ILE CA C 13 63.233 0.300 . 1 . . . . 37 ILE CA . 11134 1 374 . 1 1 37 37 ILE CB C 13 35.860 0.300 . 1 . . . . 37 ILE CB . 11134 1 375 . 1 1 37 37 ILE CD1 C 13 11.856 0.300 . 1 . . . . 37 ILE CD1 . 11134 1 376 . 1 1 37 37 ILE CG1 C 13 27.665 0.300 . 1 . . . . 37 ILE CG1 . 11134 1 377 . 1 1 37 37 ILE CG2 C 13 14.859 0.300 . 1 . . . . 37 ILE CG2 . 11134 1 378 . 1 1 37 37 ILE N N 15 121.090 0.300 . 1 . . . . 37 ILE N . 11134 1 379 . 1 1 38 38 ILE H H 1 8.404 0.030 . 1 . . . . 38 ILE H . 11134 1 380 . 1 1 38 38 ILE HA H 1 3.622 0.030 . 1 . . . . 38 ILE HA . 11134 1 381 . 1 1 38 38 ILE HB H 1 1.717 0.030 . 1 . . . . 38 ILE HB . 11134 1 382 . 1 1 38 38 ILE HD11 H 1 0.814 0.030 . 1 . . . . 38 ILE HD1 . 11134 1 383 . 1 1 38 38 ILE HD12 H 1 0.814 0.030 . 1 . . . . 38 ILE HD1 . 11134 1 384 . 1 1 38 38 ILE HD13 H 1 0.814 0.030 . 1 . . . . 38 ILE HD1 . 11134 1 385 . 1 1 38 38 ILE HG12 H 1 1.051 0.030 . 2 . . . . 38 ILE HG12 . 11134 1 386 . 1 1 38 38 ILE HG13 H 1 1.699 0.030 . 2 . . . . 38 ILE HG13 . 11134 1 387 . 1 1 38 38 ILE HG21 H 1 0.908 0.030 . 1 . . . . 38 ILE HG2 . 11134 1 388 . 1 1 38 38 ILE HG22 H 1 0.908 0.030 . 1 . . . . 38 ILE HG2 . 11134 1 389 . 1 1 38 38 ILE HG23 H 1 0.908 0.030 . 1 . . . . 38 ILE HG2 . 11134 1 390 . 1 1 38 38 ILE C C 13 175.337 0.300 . 1 . . . . 38 ILE C . 11134 1 391 . 1 1 38 38 ILE CA C 13 63.520 0.300 . 1 . . . . 38 ILE CA . 11134 1 392 . 1 1 38 38 ILE CB C 13 36.056 0.300 . 1 . . . . 38 ILE CB . 11134 1 393 . 1 1 38 38 ILE CD1 C 13 11.174 0.300 . 1 . . . . 38 ILE CD1 . 11134 1 394 . 1 1 38 38 ILE CG1 C 13 27.446 0.300 . 1 . . . . 38 ILE CG1 . 11134 1 395 . 1 1 38 38 ILE CG2 C 13 15.145 0.300 . 1 . . . . 38 ILE CG2 . 11134 1 396 . 1 1 38 38 ILE N N 15 119.033 0.300 . 1 . . . . 38 ILE N . 11134 1 397 . 1 1 39 39 LYS H H 1 7.657 0.030 . 1 . . . . 39 LYS H . 11134 1 398 . 1 1 39 39 LYS HA H 1 3.865 0.030 . 1 . . . . 39 LYS HA . 11134 1 399 . 1 1 39 39 LYS HB2 H 1 1.838 0.030 . 1 . . . . 39 LYS HB2 . 11134 1 400 . 1 1 39 39 LYS HB3 H 1 1.838 0.030 . 1 . . . . 39 LYS HB3 . 11134 1 401 . 1 1 39 39 LYS HD2 H 1 1.614 0.030 . 2 . . . . 39 LYS HD2 . 11134 1 402 . 1 1 39 39 LYS HD3 H 1 1.699 0.030 . 2 . . . . 39 LYS HD3 . 11134 1 403 . 1 1 39 39 LYS HE2 H 1 2.850 0.030 . 1 . . . . 39 LYS HE2 . 11134 1 404 . 1 1 39 39 LYS HE3 H 1 2.850 0.030 . 1 . . . . 39 LYS HE3 . 11134 1 405 . 1 1 39 39 LYS HG2 H 1 1.294 0.030 . 2 . . . . 39 LYS HG2 . 11134 1 406 . 1 1 39 39 LYS HG3 H 1 1.453 0.030 . 2 . . . . 39 LYS HG3 . 11134 1 407 . 1 1 39 39 LYS C C 13 176.769 0.300 . 1 . . . . 39 LYS C . 11134 1 408 . 1 1 39 39 LYS CA C 13 57.969 0.300 . 1 . . . . 39 LYS CA . 11134 1 409 . 1 1 39 39 LYS CB C 13 29.993 0.300 . 1 . . . . 39 LYS CB . 11134 1 410 . 1 1 39 39 LYS CD C 13 27.165 0.300 . 1 . . . . 39 LYS CD . 11134 1 411 . 1 1 39 39 LYS CE C 13 39.688 0.300 . 1 . . . . 39 LYS CE . 11134 1 412 . 1 1 39 39 LYS CG C 13 22.593 0.300 . 1 . . . . 39 LYS CG . 11134 1 413 . 1 1 39 39 LYS N N 15 119.300 0.300 . 1 . . . . 39 LYS N . 11134 1 414 . 1 1 40 40 GLU H H 1 7.571 0.030 . 1 . . . . 40 GLU H . 11134 1 415 . 1 1 40 40 GLU HA H 1 4.474 0.030 . 1 . . . . 40 GLU HA . 11134 1 416 . 1 1 40 40 GLU HB2 H 1 1.969 0.030 . 2 . . . . 40 GLU HB2 . 11134 1 417 . 1 1 40 40 GLU HB3 H 1 2.384 0.030 . 2 . . . . 40 GLU HB3 . 11134 1 418 . 1 1 40 40 GLU HG2 H 1 2.449 0.030 . 2 . . . . 40 GLU HG2 . 11134 1 419 . 1 1 40 40 GLU HG3 H 1 2.072 0.030 . 2 . . . . 40 GLU HG3 . 11134 1 420 . 1 1 40 40 GLU C C 13 176.417 0.300 . 1 . . . . 40 GLU C . 11134 1 421 . 1 1 40 40 GLU CA C 13 55.265 0.300 . 1 . . . . 40 GLU CA . 11134 1 422 . 1 1 40 40 GLU CB C 13 26.460 0.300 . 1 . . . . 40 GLU CB . 11134 1 423 . 1 1 40 40 GLU CG C 13 33.184 0.300 . 1 . . . . 40 GLU CG . 11134 1 424 . 1 1 40 40 GLU N N 15 118.553 0.300 . 1 . . . . 40 GLU N . 11134 1 425 . 1 1 41 41 GLY H H 1 9.173 0.030 . 1 . . . . 41 GLY H . 11134 1 426 . 1 1 41 41 GLY HA2 H 1 4.042 0.030 . 2 . . . . 41 GLY HA2 . 11134 1 427 . 1 1 41 41 GLY HA3 H 1 3.917 0.030 . 2 . . . . 41 GLY HA3 . 11134 1 428 . 1 1 41 41 GLY C C 13 172.344 0.300 . 1 . . . . 41 GLY C . 11134 1 429 . 1 1 41 41 GLY CA C 13 46.147 0.300 . 1 . . . . 41 GLY CA . 11134 1 430 . 1 1 41 41 GLY N N 15 107.882 0.300 . 1 . . . . 41 GLY N . 11134 1 431 . 1 1 42 42 MET H H 1 8.948 0.030 . 1 . . . . 42 MET H . 11134 1 432 . 1 1 42 42 MET HA H 1 3.771 0.030 . 1 . . . . 42 MET HA . 11134 1 433 . 1 1 42 42 MET HB2 H 1 1.772 0.030 . 2 . . . . 42 MET HB2 . 11134 1 434 . 1 1 42 42 MET HB3 H 1 1.960 0.030 . 2 . . . . 42 MET HB3 . 11134 1 435 . 1 1 42 42 MET HE1 H 1 1.530 0.030 . 1 . . . . 42 MET HE . 11134 1 436 . 1 1 42 42 MET HE2 H 1 1.530 0.030 . 1 . . . . 42 MET HE . 11134 1 437 . 1 1 42 42 MET HE3 H 1 1.530 0.030 . 1 . . . . 42 MET HE . 11134 1 438 . 1 1 42 42 MET HG2 H 1 2.344 0.030 . 2 . . . . 42 MET HG2 . 11134 1 439 . 1 1 42 42 MET HG3 H 1 1.802 0.030 . 2 . . . . 42 MET HG3 . 11134 1 440 . 1 1 42 42 MET C C 13 176.273 0.300 . 1 . . . . 42 MET C . 11134 1 441 . 1 1 42 42 MET CA C 13 56.564 0.300 . 1 . . . . 42 MET CA . 11134 1 442 . 1 1 42 42 MET CB C 13 29.291 0.300 . 1 . . . . 42 MET CB . 11134 1 443 . 1 1 42 42 MET CE C 13 13.834 0.300 . 1 . . . . 42 MET CE . 11134 1 444 . 1 1 42 42 MET CG C 13 30.442 0.300 . 1 . . . . 42 MET CG . 11134 1 445 . 1 1 42 42 MET N N 15 121.450 0.300 . 1 . . . . 42 MET N . 11134 1 446 . 1 1 43 43 ILE H H 1 7.361 0.030 . 1 . . . . 43 ILE H . 11134 1 447 . 1 1 43 43 ILE HA H 1 3.481 0.030 . 1 . . . . 43 ILE HA . 11134 1 448 . 1 1 43 43 ILE HB H 1 2.071 0.030 . 1 . . . . 43 ILE HB . 11134 1 449 . 1 1 43 43 ILE HD11 H 1 0.831 0.030 . 1 . . . . 43 ILE HD1 . 11134 1 450 . 1 1 43 43 ILE HD12 H 1 0.831 0.030 . 1 . . . . 43 ILE HD1 . 11134 1 451 . 1 1 43 43 ILE HD13 H 1 0.831 0.030 . 1 . . . . 43 ILE HD1 . 11134 1 452 . 1 1 43 43 ILE HG12 H 1 1.708 0.030 . 2 . . . . 43 ILE HG12 . 11134 1 453 . 1 1 43 43 ILE HG13 H 1 0.998 0.030 . 2 . . . . 43 ILE HG13 . 11134 1 454 . 1 1 43 43 ILE HG21 H 1 0.843 0.030 . 1 . . . . 43 ILE HG2 . 11134 1 455 . 1 1 43 43 ILE HG22 H 1 0.843 0.030 . 1 . . . . 43 ILE HG2 . 11134 1 456 . 1 1 43 43 ILE HG23 H 1 0.843 0.030 . 1 . . . . 43 ILE HG2 . 11134 1 457 . 1 1 43 43 ILE C C 13 176.251 0.300 . 1 . . . . 43 ILE C . 11134 1 458 . 1 1 43 43 ILE CA C 13 63.058 0.300 . 1 . . . . 43 ILE CA . 11134 1 459 . 1 1 43 43 ILE CB C 13 35.742 0.300 . 1 . . . . 43 ILE CB . 11134 1 460 . 1 1 43 43 ILE CD1 C 13 11.238 0.300 . 1 . . . . 43 ILE CD1 . 11134 1 461 . 1 1 43 43 ILE CG1 C 13 27.096 0.300 . 1 . . . . 43 ILE CG1 . 11134 1 462 . 1 1 43 43 ILE CG2 C 13 14.648 0.300 . 1 . . . . 43 ILE CG2 . 11134 1 463 . 1 1 43 43 ILE N N 15 120.094 0.300 . 1 . . . . 43 ILE N . 11134 1 464 . 1 1 44 44 ARG H H 1 7.749 0.030 . 1 . . . . 44 ARG H . 11134 1 465 . 1 1 44 44 ARG HA H 1 3.953 0.030 . 1 . . . . 44 ARG HA . 11134 1 466 . 1 1 44 44 ARG HB2 H 1 1.919 0.030 . 2 . . . . 44 ARG HB2 . 11134 1 467 . 1 1 44 44 ARG HB3 H 1 2.141 0.030 . 2 . . . . 44 ARG HB3 . 11134 1 468 . 1 1 44 44 ARG HD2 H 1 2.965 0.030 . 2 . . . . 44 ARG HD2 . 11134 1 469 . 1 1 44 44 ARG HD3 H 1 3.507 0.030 . 2 . . . . 44 ARG HD3 . 11134 1 470 . 1 1 44 44 ARG HE H 1 9.357 0.030 . 1 . . . . 44 ARG HE . 11134 1 471 . 1 1 44 44 ARG HG2 H 1 1.652 0.030 . 2 . . . . 44 ARG HG2 . 11134 1 472 . 1 1 44 44 ARG HG3 H 1 2.143 0.030 . 2 . . . . 44 ARG HG3 . 11134 1 473 . 1 1 44 44 ARG C C 13 176.856 0.300 . 1 . . . . 44 ARG C . 11134 1 474 . 1 1 44 44 ARG CA C 13 56.680 0.300 . 1 . . . . 44 ARG CA . 11134 1 475 . 1 1 44 44 ARG CB C 13 29.067 0.300 . 1 . . . . 44 ARG CB . 11134 1 476 . 1 1 44 44 ARG CD C 13 42.168 0.300 . 1 . . . . 44 ARG CD . 11134 1 477 . 1 1 44 44 ARG CG C 13 25.903 0.300 . 1 . . . . 44 ARG CG . 11134 1 478 . 1 1 44 44 ARG N N 15 117.786 0.300 . 1 . . . . 44 ARG N . 11134 1 479 . 1 1 44 44 ARG NE N 15 87.900 0.300 . 1 . . . . 44 ARG NE . 11134 1 480 . 1 1 45 45 PHE H H 1 8.762 0.030 . 1 . . . . 45 PHE H . 11134 1 481 . 1 1 45 45 PHE HA H 1 3.175 0.030 . 1 . . . . 45 PHE HA . 11134 1 482 . 1 1 45 45 PHE HB2 H 1 2.139 0.030 . 2 . . . . 45 PHE HB2 . 11134 1 483 . 1 1 45 45 PHE HB3 H 1 2.506 0.030 . 2 . . . . 45 PHE HB3 . 11134 1 484 . 1 1 45 45 PHE HD1 H 1 6.070 0.030 . 1 . . . . 45 PHE HD1 . 11134 1 485 . 1 1 45 45 PHE HD2 H 1 6.070 0.030 . 1 . . . . 45 PHE HD2 . 11134 1 486 . 1 1 45 45 PHE HE1 H 1 6.861 0.030 . 1 . . . . 45 PHE HE1 . 11134 1 487 . 1 1 45 45 PHE HE2 H 1 6.861 0.030 . 1 . . . . 45 PHE HE2 . 11134 1 488 . 1 1 45 45 PHE HZ H 1 7.169 0.030 . 1 . . . . 45 PHE HZ . 11134 1 489 . 1 1 45 45 PHE C C 13 174.891 0.300 . 1 . . . . 45 PHE C . 11134 1 490 . 1 1 45 45 PHE CA C 13 57.972 0.300 . 1 . . . . 45 PHE CA . 11134 1 491 . 1 1 45 45 PHE CB C 13 37.724 0.300 . 1 . . . . 45 PHE CB . 11134 1 492 . 1 1 45 45 PHE CD1 C 13 130.206 0.300 . 1 . . . . 45 PHE CD1 . 11134 1 493 . 1 1 45 45 PHE CD2 C 13 130.206 0.300 . 1 . . . . 45 PHE CD2 . 11134 1 494 . 1 1 45 45 PHE CE1 C 13 128.478 0.300 . 1 . . . . 45 PHE CE1 . 11134 1 495 . 1 1 45 45 PHE CE2 C 13 128.478 0.300 . 1 . . . . 45 PHE CE2 . 11134 1 496 . 1 1 45 45 PHE CZ C 13 126.523 0.300 . 1 . . . . 45 PHE CZ . 11134 1 497 . 1 1 45 45 PHE N N 15 120.995 0.300 . 1 . . . . 45 PHE N . 11134 1 498 . 1 1 46 46 ARG H H 1 7.490 0.030 . 1 . . . . 46 ARG H . 11134 1 499 . 1 1 46 46 ARG HA H 1 3.727 0.030 . 1 . . . . 46 ARG HA . 11134 1 500 . 1 1 46 46 ARG HB2 H 1 1.800 0.030 . 2 . . . . 46 ARG HB2 . 11134 1 501 . 1 1 46 46 ARG HB3 H 1 1.763 0.030 . 2 . . . . 46 ARG HB3 . 11134 1 502 . 1 1 46 46 ARG HD2 H 1 3.022 0.030 . 1 . . . . 46 ARG HD2 . 11134 1 503 . 1 1 46 46 ARG HD3 H 1 3.022 0.030 . 1 . . . . 46 ARG HD3 . 11134 1 504 . 1 1 46 46 ARG HG2 H 1 1.647 0.030 . 1 . . . . 46 ARG HG2 . 11134 1 505 . 1 1 46 46 ARG HG3 H 1 1.647 0.030 . 1 . . . . 46 ARG HG3 . 11134 1 506 . 1 1 46 46 ARG C C 13 174.875 0.300 . 1 . . . . 46 ARG C . 11134 1 507 . 1 1 46 46 ARG CA C 13 55.880 0.300 . 1 . . . . 46 ARG CA . 11134 1 508 . 1 1 46 46 ARG CB C 13 27.908 0.300 . 1 . . . . 46 ARG CB . 11134 1 509 . 1 1 46 46 ARG CD C 13 41.390 0.300 . 1 . . . . 46 ARG CD . 11134 1 510 . 1 1 46 46 ARG CG C 13 25.470 0.300 . 1 . . . . 46 ARG CG . 11134 1 511 . 1 1 46 46 ARG N N 15 113.321 0.300 . 1 . . . . 46 ARG N . 11134 1 512 . 1 1 47 47 VAL H H 1 6.840 0.030 . 1 . . . . 47 VAL H . 11134 1 513 . 1 1 47 47 VAL HA H 1 4.045 0.030 . 1 . . . . 47 VAL HA . 11134 1 514 . 1 1 47 47 VAL HB H 1 2.229 0.030 . 1 . . . . 47 VAL HB . 11134 1 515 . 1 1 47 47 VAL HG11 H 1 0.876 0.030 . 1 . . . . 47 VAL HG1 . 11134 1 516 . 1 1 47 47 VAL HG12 H 1 0.876 0.030 . 1 . . . . 47 VAL HG1 . 11134 1 517 . 1 1 47 47 VAL HG13 H 1 0.876 0.030 . 1 . . . . 47 VAL HG1 . 11134 1 518 . 1 1 47 47 VAL HG21 H 1 0.922 0.030 . 1 . . . . 47 VAL HG2 . 11134 1 519 . 1 1 47 47 VAL HG22 H 1 0.922 0.030 . 1 . . . . 47 VAL HG2 . 11134 1 520 . 1 1 47 47 VAL HG23 H 1 0.922 0.030 . 1 . . . . 47 VAL HG2 . 11134 1 521 . 1 1 47 47 VAL C C 13 174.813 0.300 . 1 . . . . 47 VAL C . 11134 1 522 . 1 1 47 47 VAL CA C 13 59.691 0.300 . 1 . . . . 47 VAL CA . 11134 1 523 . 1 1 47 47 VAL CB C 13 29.213 0.300 . 1 . . . . 47 VAL CB . 11134 1 524 . 1 1 47 47 VAL CG1 C 13 19.144 0.300 . 2 . . . . 47 VAL CG1 . 11134 1 525 . 1 1 47 47 VAL CG2 C 13 18.263 0.300 . 2 . . . . 47 VAL CG2 . 11134 1 526 . 1 1 47 47 VAL N N 15 111.481 0.300 . 1 . . . . 47 VAL N . 11134 1 527 . 1 1 48 48 LEU H H 1 6.765 0.030 . 1 . . . . 48 LEU H . 11134 1 528 . 1 1 48 48 LEU HA H 1 4.119 0.030 . 1 . . . . 48 LEU HA . 11134 1 529 . 1 1 48 48 LEU HB2 H 1 1.341 0.030 . 2 . . . . 48 LEU HB2 . 11134 1 530 . 1 1 48 48 LEU HB3 H 1 1.235 0.030 . 2 . . . . 48 LEU HB3 . 11134 1 531 . 1 1 48 48 LEU HD11 H 1 0.384 0.030 . 1 . . . . 48 LEU HD1 . 11134 1 532 . 1 1 48 48 LEU HD12 H 1 0.384 0.030 . 1 . . . . 48 LEU HD1 . 11134 1 533 . 1 1 48 48 LEU HD13 H 1 0.384 0.030 . 1 . . . . 48 LEU HD1 . 11134 1 534 . 1 1 48 48 LEU HD21 H 1 0.764 0.030 . 1 . . . . 48 LEU HD2 . 11134 1 535 . 1 1 48 48 LEU HD22 H 1 0.764 0.030 . 1 . . . . 48 LEU HD2 . 11134 1 536 . 1 1 48 48 LEU HD23 H 1 0.764 0.030 . 1 . . . . 48 LEU HD2 . 11134 1 537 . 1 1 48 48 LEU HG H 1 1.641 0.030 . 1 . . . . 48 LEU HG . 11134 1 538 . 1 1 48 48 LEU C C 13 175.027 0.300 . 1 . . . . 48 LEU C . 11134 1 539 . 1 1 48 48 LEU CA C 13 52.806 0.300 . 1 . . . . 48 LEU CA . 11134 1 540 . 1 1 48 48 LEU CB C 13 39.983 0.300 . 1 . . . . 48 LEU CB . 11134 1 541 . 1 1 48 48 LEU CD1 C 13 23.373 0.300 . 2 . . . . 48 LEU CD1 . 11134 1 542 . 1 1 48 48 LEU CD2 C 13 20.240 0.300 . 2 . . . . 48 LEU CD2 . 11134 1 543 . 1 1 48 48 LEU CG C 13 24.350 0.300 . 1 . . . . 48 LEU CG . 11134 1 544 . 1 1 48 48 LEU N N 15 120.947 0.300 . 1 . . . . 48 LEU N . 11134 1 545 . 1 1 49 49 SER H H 1 8.857 0.030 . 1 . . . . 49 SER H . 11134 1 546 . 1 1 49 49 SER HA H 1 4.324 0.030 . 1 . . . . 49 SER HA . 11134 1 547 . 1 1 49 49 SER HB2 H 1 4.044 0.030 . 2 . . . . 49 SER HB2 . 11134 1 548 . 1 1 49 49 SER HB3 H 1 4.357 0.030 . 2 . . . . 49 SER HB3 . 11134 1 549 . 1 1 49 49 SER C C 13 172.807 0.300 . 1 . . . . 49 SER C . 11134 1 550 . 1 1 49 49 SER CA C 13 55.485 0.300 . 1 . . . . 49 SER CA . 11134 1 551 . 1 1 49 49 SER CB C 13 62.717 0.300 . 1 . . . . 49 SER CB . 11134 1 552 . 1 1 49 49 SER N N 15 117.494 0.300 . 1 . . . . 49 SER N . 11134 1 553 . 1 1 50 50 THR H H 1 8.750 0.030 . 1 . . . . 50 THR H . 11134 1 554 . 1 1 50 50 THR HA H 1 3.620 0.030 . 1 . . . . 50 THR HA . 11134 1 555 . 1 1 50 50 THR HB H 1 4.028 0.030 . 1 . . . . 50 THR HB . 11134 1 556 . 1 1 50 50 THR HG21 H 1 1.171 0.030 . 1 . . . . 50 THR HG2 . 11134 1 557 . 1 1 50 50 THR HG22 H 1 1.171 0.030 . 1 . . . . 50 THR HG2 . 11134 1 558 . 1 1 50 50 THR HG23 H 1 1.171 0.030 . 1 . . . . 50 THR HG2 . 11134 1 559 . 1 1 50 50 THR C C 13 174.870 0.300 . 1 . . . . 50 THR C . 11134 1 560 . 1 1 50 50 THR CA C 13 64.252 0.300 . 1 . . . . 50 THR CA . 11134 1 561 . 1 1 50 50 THR CB C 13 66.270 0.300 . 1 . . . . 50 THR CB . 11134 1 562 . 1 1 50 50 THR CG2 C 13 19.856 0.300 . 1 . . . . 50 THR CG2 . 11134 1 563 . 1 1 50 50 THR N N 15 116.986 0.300 . 1 . . . . 50 THR N . 11134 1 564 . 1 1 51 51 GLU H H 1 8.573 0.030 . 1 . . . . 51 GLU H . 11134 1 565 . 1 1 51 51 GLU HA H 1 3.881 0.030 . 1 . . . . 51 GLU HA . 11134 1 566 . 1 1 51 51 GLU HB2 H 1 1.886 0.030 . 2 . . . . 51 GLU HB2 . 11134 1 567 . 1 1 51 51 GLU HB3 H 1 1.958 0.030 . 2 . . . . 51 GLU HB3 . 11134 1 568 . 1 1 51 51 GLU HG2 H 1 2.202 0.030 . 2 . . . . 51 GLU HG2 . 11134 1 569 . 1 1 51 51 GLU HG3 H 1 2.315 0.030 . 2 . . . . 51 GLU HG3 . 11134 1 570 . 1 1 51 51 GLU C C 13 176.576 0.300 . 1 . . . . 51 GLU C . 11134 1 571 . 1 1 51 51 GLU CA C 13 57.793 0.300 . 1 . . . . 51 GLU CA . 11134 1 572 . 1 1 51 51 GLU CB C 13 26.641 0.300 . 1 . . . . 51 GLU CB . 11134 1 573 . 1 1 51 51 GLU CG C 13 34.342 0.300 . 1 . . . . 51 GLU CG . 11134 1 574 . 1 1 51 51 GLU N N 15 120.249 0.300 . 1 . . . . 51 GLU N . 11134 1 575 . 1 1 52 52 GLU H H 1 7.891 0.030 . 1 . . . . 52 GLU H . 11134 1 576 . 1 1 52 52 GLU HA H 1 4.033 0.030 . 1 . . . . 52 GLU HA . 11134 1 577 . 1 1 52 52 GLU HB2 H 1 2.194 0.030 . 2 . . . . 52 GLU HB2 . 11134 1 578 . 1 1 52 52 GLU HB3 H 1 2.006 0.030 . 2 . . . . 52 GLU HB3 . 11134 1 579 . 1 1 52 52 GLU HG2 H 1 2.388 0.030 . 2 . . . . 52 GLU HG2 . 11134 1 580 . 1 1 52 52 GLU HG3 H 1 2.350 0.030 . 2 . . . . 52 GLU HG3 . 11134 1 581 . 1 1 52 52 GLU C C 13 177.210 0.300 . 1 . . . . 52 GLU C . 11134 1 582 . 1 1 52 52 GLU CA C 13 57.147 0.300 . 1 . . . . 52 GLU CA . 11134 1 583 . 1 1 52 52 GLU CB C 13 27.699 0.300 . 1 . . . . 52 GLU CB . 11134 1 584 . 1 1 52 52 GLU CG C 13 35.256 0.300 . 1 . . . . 52 GLU CG . 11134 1 585 . 1 1 52 52 GLU N N 15 120.766 0.300 . 1 . . . . 52 GLU N . 11134 1 586 . 1 1 53 53 ARG H H 1 8.328 0.030 . 1 . . . . 53 ARG H . 11134 1 587 . 1 1 53 53 ARG HA H 1 3.857 0.030 . 1 . . . . 53 ARG HA . 11134 1 588 . 1 1 53 53 ARG HB2 H 1 1.705 0.030 . 1 . . . . 53 ARG HB2 . 11134 1 589 . 1 1 53 53 ARG HB3 H 1 1.705 0.030 . 1 . . . . 53 ARG HB3 . 11134 1 590 . 1 1 53 53 ARG HD2 H 1 2.675 0.030 . 2 . . . . 53 ARG HD2 . 11134 1 591 . 1 1 53 53 ARG HD3 H 1 2.606 0.030 . 2 . . . . 53 ARG HD3 . 11134 1 592 . 1 1 53 53 ARG HG2 H 1 0.494 0.030 . 2 . . . . 53 ARG HG2 . 11134 1 593 . 1 1 53 53 ARG HG3 H 1 1.256 0.030 . 2 . . . . 53 ARG HG3 . 11134 1 594 . 1 1 53 53 ARG C C 13 177.135 0.300 . 1 . . . . 53 ARG C . 11134 1 595 . 1 1 53 53 ARG CA C 13 58.661 0.300 . 1 . . . . 53 ARG CA . 11134 1 596 . 1 1 53 53 ARG CB C 13 27.646 0.300 . 1 . . . . 53 ARG CB . 11134 1 597 . 1 1 53 53 ARG CD C 13 40.607 0.300 . 1 . . . . 53 ARG CD . 11134 1 598 . 1 1 53 53 ARG CG C 13 27.202 0.300 . 1 . . . . 53 ARG CG . 11134 1 599 . 1 1 53 53 ARG N N 15 117.870 0.300 . 1 . . . . 53 ARG N . 11134 1 600 . 1 1 54 54 LYS H H 1 7.888 0.030 . 1 . . . . 54 LYS H . 11134 1 601 . 1 1 54 54 LYS HA H 1 4.048 0.030 . 1 . . . . 54 LYS HA . 11134 1 602 . 1 1 54 54 LYS HB2 H 1 1.884 0.030 . 1 . . . . 54 LYS HB2 . 11134 1 603 . 1 1 54 54 LYS HB3 H 1 1.884 0.030 . 1 . . . . 54 LYS HB3 . 11134 1 604 . 1 1 54 54 LYS HD2 H 1 1.597 0.030 . 1 . . . . 54 LYS HD2 . 11134 1 605 . 1 1 54 54 LYS HD3 H 1 1.597 0.030 . 1 . . . . 54 LYS HD3 . 11134 1 606 . 1 1 54 54 LYS HE2 H 1 2.888 0.030 . 1 . . . . 54 LYS HE2 . 11134 1 607 . 1 1 54 54 LYS HE3 H 1 2.888 0.030 . 1 . . . . 54 LYS HE3 . 11134 1 608 . 1 1 54 54 LYS HG2 H 1 1.358 0.030 . 2 . . . . 54 LYS HG2 . 11134 1 609 . 1 1 54 54 LYS HG3 H 1 1.528 0.030 . 2 . . . . 54 LYS HG3 . 11134 1 610 . 1 1 54 54 LYS C C 13 176.087 0.300 . 1 . . . . 54 LYS C . 11134 1 611 . 1 1 54 54 LYS CA C 13 57.154 0.300 . 1 . . . . 54 LYS CA . 11134 1 612 . 1 1 54 54 LYS CB C 13 29.845 0.300 . 1 . . . . 54 LYS CB . 11134 1 613 . 1 1 54 54 LYS CD C 13 27.467 0.300 . 1 . . . . 54 LYS CD . 11134 1 614 . 1 1 54 54 LYS CE C 13 39.860 0.300 . 1 . . . . 54 LYS CE . 11134 1 615 . 1 1 54 54 LYS CG C 13 22.777 0.300 . 1 . . . . 54 LYS CG . 11134 1 616 . 1 1 54 54 LYS N N 15 120.662 0.300 . 1 . . . . 54 LYS N . 11134 1 617 . 1 1 55 55 VAL H H 1 7.459 0.030 . 1 . . . . 55 VAL H . 11134 1 618 . 1 1 55 55 VAL HA H 1 3.517 0.030 . 1 . . . . 55 VAL HA . 11134 1 619 . 1 1 55 55 VAL HB H 1 2.110 0.030 . 1 . . . . 55 VAL HB . 11134 1 620 . 1 1 55 55 VAL HG11 H 1 0.387 0.030 . 1 . . . . 55 VAL HG1 . 11134 1 621 . 1 1 55 55 VAL HG12 H 1 0.387 0.030 . 1 . . . . 55 VAL HG1 . 11134 1 622 . 1 1 55 55 VAL HG13 H 1 0.387 0.030 . 1 . . . . 55 VAL HG1 . 11134 1 623 . 1 1 55 55 VAL HG21 H 1 0.941 0.030 . 1 . . . . 55 VAL HG2 . 11134 1 624 . 1 1 55 55 VAL HG22 H 1 0.941 0.030 . 1 . . . . 55 VAL HG2 . 11134 1 625 . 1 1 55 55 VAL HG23 H 1 0.941 0.030 . 1 . . . . 55 VAL HG2 . 11134 1 626 . 1 1 55 55 VAL C C 13 177.214 0.300 . 1 . . . . 55 VAL C . 11134 1 627 . 1 1 55 55 VAL CA C 13 64.375 0.300 . 1 . . . . 55 VAL CA . 11134 1 628 . 1 1 55 55 VAL CB C 13 29.006 0.300 . 1 . . . . 55 VAL CB . 11134 1 629 . 1 1 55 55 VAL CG1 C 13 18.197 0.300 . 2 . . . . 55 VAL CG1 . 11134 1 630 . 1 1 55 55 VAL CG2 C 13 20.155 0.300 . 2 . . . . 55 VAL CG2 . 11134 1 631 . 1 1 55 55 VAL N N 15 119.900 0.300 . 1 . . . . 55 VAL N . 11134 1 632 . 1 1 56 56 TRP H H 1 7.390 0.030 . 1 . . . . 56 TRP H . 11134 1 633 . 1 1 56 56 TRP HA H 1 4.217 0.030 . 1 . . . . 56 TRP HA . 11134 1 634 . 1 1 56 56 TRP HB2 H 1 3.230 0.030 . 2 . . . . 56 TRP HB2 . 11134 1 635 . 1 1 56 56 TRP HB3 H 1 3.743 0.030 . 2 . . . . 56 TRP HB3 . 11134 1 636 . 1 1 56 56 TRP HD1 H 1 7.461 0.030 . 1 . . . . 56 TRP HD1 . 11134 1 637 . 1 1 56 56 TRP HE1 H 1 10.964 0.030 . 1 . . . . 56 TRP HE1 . 11134 1 638 . 1 1 56 56 TRP HE3 H 1 7.572 0.030 . 1 . . . . 56 TRP HE3 . 11134 1 639 . 1 1 56 56 TRP HH2 H 1 7.124 0.030 . 1 . . . . 56 TRP HH2 . 11134 1 640 . 1 1 56 56 TRP HZ2 H 1 7.634 0.030 . 1 . . . . 56 TRP HZ2 . 11134 1 641 . 1 1 56 56 TRP HZ3 H 1 6.917 0.030 . 1 . . . . 56 TRP HZ3 . 11134 1 642 . 1 1 56 56 TRP C C 13 175.748 0.300 . 1 . . . . 56 TRP C . 11134 1 643 . 1 1 56 56 TRP CA C 13 58.753 0.300 . 1 . . . . 56 TRP CA . 11134 1 644 . 1 1 56 56 TRP CB C 13 26.236 0.300 . 1 . . . . 56 TRP CB . 11134 1 645 . 1 1 56 56 TRP CD1 C 13 125.702 0.300 . 1 . . . . 56 TRP CD1 . 11134 1 646 . 1 1 56 56 TRP CE3 C 13 117.685 0.300 . 1 . . . . 56 TRP CE3 . 11134 1 647 . 1 1 56 56 TRP CH2 C 13 122.504 0.300 . 1 . . . . 56 TRP CH2 . 11134 1 648 . 1 1 56 56 TRP CZ2 C 13 113.086 0.300 . 1 . . . . 56 TRP CZ2 . 11134 1 649 . 1 1 56 56 TRP CZ3 C 13 119.611 0.300 . 1 . . . . 56 TRP CZ3 . 11134 1 650 . 1 1 56 56 TRP N N 15 119.968 0.300 . 1 . . . . 56 TRP N . 11134 1 651 . 1 1 56 56 TRP NE1 N 15 129.669 0.300 . 1 . . . . 56 TRP NE1 . 11134 1 652 . 1 1 57 57 ALA H H 1 8.201 0.030 . 1 . . . . 57 ALA H . 11134 1 653 . 1 1 57 57 ALA HA H 1 4.056 0.030 . 1 . . . . 57 ALA HA . 11134 1 654 . 1 1 57 57 ALA HB1 H 1 1.597 0.030 . 1 . . . . 57 ALA HB . 11134 1 655 . 1 1 57 57 ALA HB2 H 1 1.597 0.030 . 1 . . . . 57 ALA HB . 11134 1 656 . 1 1 57 57 ALA HB3 H 1 1.597 0.030 . 1 . . . . 57 ALA HB . 11134 1 657 . 1 1 57 57 ALA C C 13 178.444 0.300 . 1 . . . . 57 ALA C . 11134 1 658 . 1 1 57 57 ALA CA C 13 53.112 0.300 . 1 . . . . 57 ALA CA . 11134 1 659 . 1 1 57 57 ALA CB C 13 15.963 0.300 . 1 . . . . 57 ALA CB . 11134 1 660 . 1 1 57 57 ALA N N 15 121.576 0.300 . 1 . . . . 57 ALA N . 11134 1 661 . 1 1 58 58 ASN H H 1 8.427 0.030 . 1 . . . . 58 ASN H . 11134 1 662 . 1 1 58 58 ASN HA H 1 4.455 0.030 . 1 . . . . 58 ASN HA . 11134 1 663 . 1 1 58 58 ASN HB2 H 1 2.741 0.030 . 2 . . . . 58 ASN HB2 . 11134 1 664 . 1 1 58 58 ASN HB3 H 1 2.879 0.030 . 2 . . . . 58 ASN HB3 . 11134 1 665 . 1 1 58 58 ASN HD21 H 1 6.786 0.030 . 2 . . . . 58 ASN HD21 . 11134 1 666 . 1 1 58 58 ASN HD22 H 1 7.522 0.030 . 2 . . . . 58 ASN HD22 . 11134 1 667 . 1 1 58 58 ASN C C 13 176.321 0.300 . 1 . . . . 58 ASN C . 11134 1 668 . 1 1 58 58 ASN CA C 13 53.220 0.300 . 1 . . . . 58 ASN CA . 11134 1 669 . 1 1 58 58 ASN CB C 13 35.405 0.300 . 1 . . . . 58 ASN CB . 11134 1 670 . 1 1 58 58 ASN N N 15 117.312 0.300 . 1 . . . . 58 ASN N . 11134 1 671 . 1 1 58 58 ASN ND2 N 15 111.266 0.300 . 1 . . . . 58 ASN ND2 . 11134 1 672 . 1 1 59 59 LYS H H 1 8.132 0.030 . 1 . . . . 59 LYS H . 11134 1 673 . 1 1 59 59 LYS HA H 1 3.963 0.030 . 1 . . . . 59 LYS HA . 11134 1 674 . 1 1 59 59 LYS HB2 H 1 1.921 0.030 . 2 . . . . 59 LYS HB2 . 11134 1 675 . 1 1 59 59 LYS HB3 H 1 1.827 0.030 . 2 . . . . 59 LYS HB3 . 11134 1 676 . 1 1 59 59 LYS HD2 H 1 1.102 0.030 . 2 . . . . 59 LYS HD2 . 11134 1 677 . 1 1 59 59 LYS HD3 H 1 1.316 0.030 . 2 . . . . 59 LYS HD3 . 11134 1 678 . 1 1 59 59 LYS HE2 H 1 2.355 0.030 . 2 . . . . 59 LYS HE2 . 11134 1 679 . 1 1 59 59 LYS HE3 H 1 2.472 0.030 . 2 . . . . 59 LYS HE3 . 11134 1 680 . 1 1 59 59 LYS HG2 H 1 1.426 0.030 . 2 . . . . 59 LYS HG2 . 11134 1 681 . 1 1 59 59 LYS HG3 H 1 1.280 0.030 . 2 . . . . 59 LYS HG3 . 11134 1 682 . 1 1 59 59 LYS C C 13 176.481 0.300 . 1 . . . . 59 LYS C . 11134 1 683 . 1 1 59 59 LYS CA C 13 57.099 0.300 . 1 . . . . 59 LYS CA . 11134 1 684 . 1 1 59 59 LYS CB C 13 30.501 0.300 . 1 . . . . 59 LYS CB . 11134 1 685 . 1 1 59 59 LYS CD C 13 27.413 0.300 . 1 . . . . 59 LYS CD . 11134 1 686 . 1 1 59 59 LYS CE C 13 39.321 0.300 . 1 . . . . 59 LYS CE . 11134 1 687 . 1 1 59 59 LYS CG C 13 23.380 0.300 . 1 . . . . 59 LYS CG . 11134 1 688 . 1 1 59 59 LYS N N 15 122.046 0.300 . 1 . . . . 59 LYS N . 11134 1 689 . 1 1 60 60 ALA H H 1 7.820 0.030 . 1 . . . . 60 ALA H . 11134 1 690 . 1 1 60 60 ALA HA H 1 4.174 0.030 . 1 . . . . 60 ALA HA . 11134 1 691 . 1 1 60 60 ALA HB1 H 1 1.358 0.030 . 1 . . . . 60 ALA HB . 11134 1 692 . 1 1 60 60 ALA HB2 H 1 1.358 0.030 . 1 . . . . 60 ALA HB . 11134 1 693 . 1 1 60 60 ALA HB3 H 1 1.358 0.030 . 1 . . . . 60 ALA HB . 11134 1 694 . 1 1 60 60 ALA C C 13 176.228 0.300 . 1 . . . . 60 ALA C . 11134 1 695 . 1 1 60 60 ALA CA C 13 51.742 0.300 . 1 . . . . 60 ALA CA . 11134 1 696 . 1 1 60 60 ALA CB C 13 16.147 0.300 . 1 . . . . 60 ALA CB . 11134 1 697 . 1 1 60 60 ALA N N 15 120.874 0.300 . 1 . . . . 60 ALA N . 11134 1 698 . 1 1 61 61 LYS H H 1 7.542 0.030 . 1 . . . . 61 LYS H . 11134 1 699 . 1 1 61 61 LYS HA H 1 4.174 0.030 . 1 . . . . 61 LYS HA . 11134 1 700 . 1 1 61 61 LYS HB2 H 1 1.877 0.030 . 1 . . . . 61 LYS HB2 . 11134 1 701 . 1 1 61 61 LYS HB3 H 1 1.877 0.030 . 1 . . . . 61 LYS HB3 . 11134 1 702 . 1 1 61 61 LYS HD2 H 1 1.663 0.030 . 2 . . . . 61 LYS HD2 . 11134 1 703 . 1 1 61 61 LYS HD3 H 1 1.599 0.030 . 2 . . . . 61 LYS HD3 . 11134 1 704 . 1 1 61 61 LYS HE2 H 1 2.878 0.030 . 1 . . . . 61 LYS HE2 . 11134 1 705 . 1 1 61 61 LYS HE3 H 1 2.878 0.030 . 1 . . . . 61 LYS HE3 . 11134 1 706 . 1 1 61 61 LYS HG2 H 1 1.557 0.030 . 2 . . . . 61 LYS HG2 . 11134 1 707 . 1 1 61 61 LYS HG3 H 1 1.468 0.030 . 2 . . . . 61 LYS HG3 . 11134 1 708 . 1 1 61 61 LYS C C 13 175.382 0.300 . 1 . . . . 61 LYS C . 11134 1 709 . 1 1 61 61 LYS CA C 13 55.243 0.300 . 1 . . . . 61 LYS CA . 11134 1 710 . 1 1 61 61 LYS CB C 13 30.548 0.300 . 1 . . . . 61 LYS CB . 11134 1 711 . 1 1 61 61 LYS CD C 13 26.918 0.300 . 1 . . . . 61 LYS CD . 11134 1 712 . 1 1 61 61 LYS CE C 13 39.942 0.300 . 1 . . . . 61 LYS CE . 11134 1 713 . 1 1 61 61 LYS CG C 13 22.714 0.300 . 1 . . . . 61 LYS CG . 11134 1 714 . 1 1 61 61 LYS N N 15 117.172 0.300 . 1 . . . . 61 LYS N . 11134 1 715 . 1 1 62 62 GLY H H 1 7.844 0.030 . 1 . . . . 62 GLY H . 11134 1 716 . 1 1 62 62 GLY HA2 H 1 3.897 0.030 . 1 . . . . 62 GLY HA2 . 11134 1 717 . 1 1 62 62 GLY HA3 H 1 3.897 0.030 . 1 . . . . 62 GLY HA3 . 11134 1 718 . 1 1 62 62 GLY C C 13 172.057 0.300 . 1 . . . . 62 GLY C . 11134 1 719 . 1 1 62 62 GLY CA C 13 43.240 0.300 . 1 . . . . 62 GLY CA . 11134 1 720 . 1 1 62 62 GLY N N 15 106.988 0.300 . 1 . . . . 62 GLY N . 11134 1 721 . 1 1 63 63 GLU H H 1 8.041 0.030 . 1 . . . . 63 GLU H . 11134 1 722 . 1 1 63 63 GLU HA H 1 4.297 0.030 . 1 . . . . 63 GLU HA . 11134 1 723 . 1 1 63 63 GLU HB2 H 1 2.005 0.030 . 2 . . . . 63 GLU HB2 . 11134 1 724 . 1 1 63 63 GLU HB3 H 1 1.863 0.030 . 2 . . . . 63 GLU HB3 . 11134 1 725 . 1 1 63 63 GLU HG2 H 1 2.159 0.030 . 2 . . . . 63 GLU HG2 . 11134 1 726 . 1 1 63 63 GLU HG3 H 1 2.211 0.030 . 2 . . . . 63 GLU HG3 . 11134 1 727 . 1 1 63 63 GLU C C 13 174.551 0.300 . 1 . . . . 63 GLU C . 11134 1 728 . 1 1 63 63 GLU CA C 13 54.273 0.300 . 1 . . . . 63 GLU CA . 11134 1 729 . 1 1 63 63 GLU CB C 13 28.033 0.300 . 1 . . . . 63 GLU CB . 11134 1 730 . 1 1 63 63 GLU CG C 13 33.971 0.300 . 1 . . . . 63 GLU CG . 11134 1 731 . 1 1 63 63 GLU N N 15 120.197 0.300 . 1 . . . . 63 GLU N . 11134 1 732 . 1 1 64 64 THR H H 1 8.127 0.030 . 1 . . . . 64 THR H . 11134 1 733 . 1 1 64 64 THR HA H 1 4.249 0.030 . 1 . . . . 64 THR HA . 11134 1 734 . 1 1 64 64 THR HB H 1 4.136 0.030 . 1 . . . . 64 THR HB . 11134 1 735 . 1 1 64 64 THR HG21 H 1 1.121 0.030 . 1 . . . . 64 THR HG2 . 11134 1 736 . 1 1 64 64 THR HG22 H 1 1.121 0.030 . 1 . . . . 64 THR HG2 . 11134 1 737 . 1 1 64 64 THR HG23 H 1 1.121 0.030 . 1 . . . . 64 THR HG2 . 11134 1 738 . 1 1 64 64 THR CA C 13 59.670 0.300 . 1 . . . . 64 THR CA . 11134 1 739 . 1 1 64 64 THR CB C 13 67.606 0.300 . 1 . . . . 64 THR CB . 11134 1 740 . 1 1 64 64 THR CG2 C 13 19.367 0.300 . 1 . . . . 64 THR CG2 . 11134 1 741 . 1 1 64 64 THR N N 15 114.906 0.300 . 1 . . . . 64 THR N . 11134 1 742 . 1 1 65 65 ALA H H 1 8.285 0.030 . 1 . . . . 65 ALA H . 11134 1 743 . 1 1 65 65 ALA HA H 1 4.276 0.030 . 1 . . . . 65 ALA HA . 11134 1 744 . 1 1 65 65 ALA HB1 H 1 1.323 0.030 . 1 . . . . 65 ALA HB . 11134 1 745 . 1 1 65 65 ALA HB2 H 1 1.323 0.030 . 1 . . . . 65 ALA HB . 11134 1 746 . 1 1 65 65 ALA HB3 H 1 1.323 0.030 . 1 . . . . 65 ALA HB . 11134 1 747 . 1 1 65 65 ALA CA C 13 50.367 0.300 . 1 . . . . 65 ALA CA . 11134 1 748 . 1 1 65 65 ALA CB C 13 16.929 0.300 . 1 . . . . 65 ALA CB . 11134 1 749 . 1 1 65 65 ALA N N 15 126.306 0.300 . 1 . . . . 65 ALA N . 11134 1 750 . 1 1 66 66 SER H H 1 8.241 0.030 . 1 . . . . 66 SER H . 11134 1 751 . 1 1 66 66 SER HA H 1 4.340 0.030 . 1 . . . . 66 SER HA . 11134 1 752 . 1 1 66 66 SER HB2 H 1 3.798 0.030 . 1 . . . . 66 SER HB2 . 11134 1 753 . 1 1 66 66 SER HB3 H 1 3.798 0.030 . 1 . . . . 66 SER HB3 . 11134 1 754 . 1 1 66 66 SER CA C 13 56.137 0.300 . 1 . . . . 66 SER CA . 11134 1 755 . 1 1 66 66 SER CB C 13 61.375 0.300 . 1 . . . . 66 SER CB . 11134 1 756 . 1 1 66 66 SER N N 15 115.026 0.300 . 1 . . . . 66 SER N . 11134 1 757 . 1 1 67 67 GLU H H 1 8.394 0.030 . 1 . . . . 67 GLU H . 11134 1 758 . 1 1 67 67 GLU HA H 1 4.226 0.030 . 1 . . . . 67 GLU HA . 11134 1 759 . 1 1 67 67 GLU HB2 H 1 1.880 0.030 . 2 . . . . 67 GLU HB2 . 11134 1 760 . 1 1 67 67 GLU HB3 H 1 1.991 0.030 . 2 . . . . 67 GLU HB3 . 11134 1 761 . 1 1 67 67 GLU HG2 H 1 2.183 0.030 . 1 . . . . 67 GLU HG2 . 11134 1 762 . 1 1 67 67 GLU HG3 H 1 2.183 0.030 . 1 . . . . 67 GLU HG3 . 11134 1 763 . 1 1 67 67 GLU CA C 13 54.636 0.300 . 1 . . . . 67 GLU CA . 11134 1 764 . 1 1 67 67 GLU CB C 13 28.072 0.300 . 1 . . . . 67 GLU CB . 11134 1 765 . 1 1 67 67 GLU CG C 13 33.860 0.300 . 1 . . . . 67 GLU CG . 11134 1 766 . 1 1 67 67 GLU N N 15 122.531 0.300 . 1 . . . . 67 GLU N . 11134 1 767 . 1 1 68 68 GLY H H 1 8.392 0.030 . 1 . . . . 68 GLY H . 11134 1 768 . 1 1 68 68 GLY HA2 H 1 3.946 0.030 . 1 . . . . 68 GLY HA2 . 11134 1 769 . 1 1 68 68 GLY HA3 H 1 3.946 0.030 . 1 . . . . 68 GLY HA3 . 11134 1 770 . 1 1 68 68 GLY CA C 13 43.115 0.300 . 1 . . . . 68 GLY CA . 11134 1 771 . 1 1 68 68 GLY N N 15 109.366 0.300 . 1 . . . . 68 GLY N . 11134 1 772 . 1 1 69 69 THR H H 1 8.005 0.030 . 1 . . . . 69 THR H . 11134 1 773 . 1 1 69 69 THR HA H 1 4.161 0.030 . 1 . . . . 69 THR HA . 11134 1 774 . 1 1 69 69 THR HB H 1 4.171 0.030 . 1 . . . . 69 THR HB . 11134 1 775 . 1 1 69 69 THR HG21 H 1 1.123 0.030 . 1 . . . . 69 THR HG2 . 11134 1 776 . 1 1 69 69 THR HG22 H 1 1.123 0.030 . 1 . . . . 69 THR HG2 . 11134 1 777 . 1 1 69 69 THR HG23 H 1 1.123 0.030 . 1 . . . . 69 THR HG2 . 11134 1 778 . 1 1 69 69 THR CA C 13 60.372 0.300 . 1 . . . . 69 THR CA . 11134 1 779 . 1 1 69 69 THR CB C 13 67.279 0.300 . 1 . . . . 69 THR CB . 11134 1 780 . 1 1 69 69 THR CG2 C 13 19.373 0.300 . 1 . . . . 69 THR CG2 . 11134 1 781 . 1 1 69 69 THR N N 15 113.193 0.300 . 1 . . . . 69 THR N . 11134 1 782 . 1 1 70 70 GLU H H 1 8.451 0.030 . 1 . . . . 70 GLU H . 11134 1 783 . 1 1 70 70 GLU HA H 1 4.120 0.030 . 1 . . . . 70 GLU HA . 11134 1 784 . 1 1 70 70 GLU HB2 H 1 1.882 0.030 . 2 . . . . 70 GLU HB2 . 11134 1 785 . 1 1 70 70 GLU HB3 H 1 1.960 0.030 . 2 . . . . 70 GLU HB3 . 11134 1 786 . 1 1 70 70 GLU HG2 H 1 2.170 0.030 . 1 . . . . 70 GLU HG2 . 11134 1 787 . 1 1 70 70 GLU HG3 H 1 2.170 0.030 . 1 . . . . 70 GLU HG3 . 11134 1 788 . 1 1 70 70 GLU CA C 13 54.983 0.300 . 1 . . . . 70 GLU CA . 11134 1 789 . 1 1 70 70 GLU CB C 13 27.466 0.300 . 1 . . . . 70 GLU CB . 11134 1 790 . 1 1 70 70 GLU CG C 13 33.925 0.300 . 1 . . . . 70 GLU CG . 11134 1 791 . 1 1 70 70 GLU N N 15 122.545 0.300 . 1 . . . . 70 GLU N . 11134 1 792 . 1 1 71 71 ALA H H 1 8.133 0.030 . 1 . . . . 71 ALA H . 11134 1 793 . 1 1 71 71 ALA HA H 1 4.114 0.030 . 1 . . . . 71 ALA HA . 11134 1 794 . 1 1 71 71 ALA HB1 H 1 1.296 0.030 . 1 . . . . 71 ALA HB . 11134 1 795 . 1 1 71 71 ALA HB2 H 1 1.296 0.030 . 1 . . . . 71 ALA HB . 11134 1 796 . 1 1 71 71 ALA HB3 H 1 1.296 0.030 . 1 . . . . 71 ALA HB . 11134 1 797 . 1 1 71 71 ALA CA C 13 50.910 0.300 . 1 . . . . 71 ALA CA . 11134 1 798 . 1 1 71 71 ALA CB C 13 16.566 0.300 . 1 . . . . 71 ALA CB . 11134 1 799 . 1 1 71 71 ALA N N 15 123.968 0.300 . 1 . . . . 71 ALA N . 11134 1 800 . 1 1 72 72 LYS H H 1 8.004 0.030 . 1 . . . . 72 LYS H . 11134 1 801 . 1 1 72 72 LYS HA H 1 4.164 0.030 . 1 . . . . 72 LYS HA . 11134 1 802 . 1 1 72 72 LYS HB2 H 1 1.676 0.030 . 2 . . . . 72 LYS HB2 . 11134 1 803 . 1 1 72 72 LYS HB3 H 1 1.748 0.030 . 2 . . . . 72 LYS HB3 . 11134 1 804 . 1 1 72 72 LYS HD2 H 1 1.587 0.030 . 1 . . . . 72 LYS HD2 . 11134 1 805 . 1 1 72 72 LYS HD3 H 1 1.587 0.030 . 1 . . . . 72 LYS HD3 . 11134 1 806 . 1 1 72 72 LYS HE2 H 1 2.881 0.030 . 1 . . . . 72 LYS HE2 . 11134 1 807 . 1 1 72 72 LYS HE3 H 1 2.881 0.030 . 1 . . . . 72 LYS HE3 . 11134 1 808 . 1 1 72 72 LYS HG2 H 1 1.357 0.030 . 2 . . . . 72 LYS HG2 . 11134 1 809 . 1 1 72 72 LYS HG3 H 1 1.314 0.030 . 2 . . . . 72 LYS HG3 . 11134 1 810 . 1 1 72 72 LYS CA C 13 54.368 0.300 . 1 . . . . 72 LYS CA . 11134 1 811 . 1 1 72 72 LYS CB C 13 30.380 0.300 . 1 . . . . 72 LYS CB . 11134 1 812 . 1 1 72 72 LYS CD C 13 26.754 0.300 . 1 . . . . 72 LYS CD . 11134 1 813 . 1 1 72 72 LYS CE C 13 39.860 0.300 . 1 . . . . 72 LYS CE . 11134 1 814 . 1 1 72 72 LYS CG C 13 22.632 0.300 . 1 . . . . 72 LYS CG . 11134 1 815 . 1 1 72 72 LYS N N 15 118.940 0.300 . 1 . . . . 72 LYS N . 11134 1 816 . 1 1 73 73 LYS H H 1 8.008 0.030 . 1 . . . . 73 LYS H . 11134 1 817 . 1 1 73 73 LYS HA H 1 4.137 0.030 . 1 . . . . 73 LYS HA . 11134 1 818 . 1 1 73 73 LYS HB2 H 1 1.750 0.030 . 2 . . . . 73 LYS HB2 . 11134 1 819 . 1 1 73 73 LYS HB3 H 1 1.674 0.030 . 2 . . . . 73 LYS HB3 . 11134 1 820 . 1 1 73 73 LYS CA C 13 54.368 0.300 . 1 . . . . 73 LYS CA . 11134 1 821 . 1 1 73 73 LYS CB C 13 30.628 0.300 . 1 . . . . 73 LYS CB . 11134 1 822 . 1 1 73 73 LYS CD C 13 26.918 0.300 . 1 . . . . 73 LYS CD . 11134 1 823 . 1 1 73 73 LYS CE C 13 39.860 0.300 . 1 . . . . 73 LYS CE . 11134 1 824 . 1 1 73 73 LYS CG C 13 22.549 0.300 . 1 . . . . 73 LYS CG . 11134 1 825 . 1 1 73 73 LYS N N 15 121.237 0.300 . 1 . . . . 73 LYS N . 11134 1 826 . 1 1 74 74 ARG H H 1 8.137 0.030 . 1 . . . . 74 ARG H . 11134 1 827 . 1 1 74 74 ARG HA H 1 4.207 0.030 . 1 . . . . 74 ARG HA . 11134 1 828 . 1 1 74 74 ARG HB2 H 1 1.755 0.030 . 2 . . . . 74 ARG HB2 . 11134 1 829 . 1 1 74 74 ARG HB3 H 1 1.686 0.030 . 2 . . . . 74 ARG HB3 . 11134 1 830 . 1 1 74 74 ARG HD2 H 1 3.110 0.030 . 1 . . . . 74 ARG HD2 . 11134 1 831 . 1 1 74 74 ARG HD3 H 1 3.110 0.030 . 1 . . . . 74 ARG HD3 . 11134 1 832 . 1 1 74 74 ARG HG2 H 1 1.522 0.030 . 2 . . . . 74 ARG HG2 . 11134 1 833 . 1 1 74 74 ARG HG3 H 1 1.573 0.030 . 2 . . . . 74 ARG HG3 . 11134 1 834 . 1 1 74 74 ARG CA C 13 53.915 0.300 . 1 . . . . 74 ARG CA . 11134 1 835 . 1 1 74 74 ARG CB C 13 28.559 0.300 . 1 . . . . 74 ARG CB . 11134 1 836 . 1 1 74 74 ARG CD C 13 41.034 0.300 . 1 . . . . 74 ARG CD . 11134 1 837 . 1 1 74 74 ARG CG C 13 24.857 0.300 . 1 . . . . 74 ARG CG . 11134 1 838 . 1 1 74 74 ARG N N 15 121.727 0.300 . 1 . . . . 74 ARG N . 11134 1 839 . 1 1 75 75 LYS H H 1 8.279 0.030 . 1 . . . . 75 LYS H . 11134 1 840 . 1 1 75 75 LYS HB2 H 1 1.635 0.030 . 2 . . . . 75 LYS HB2 . 11134 1 841 . 1 1 75 75 LYS CA C 13 54.121 0.300 . 1 . . . . 75 LYS CA . 11134 1 842 . 1 1 75 75 LYS CB C 13 30.710 0.300 . 1 . . . . 75 LYS CB . 11134 1 843 . 1 1 75 75 LYS N N 15 122.719 0.300 . 1 . . . . 75 LYS N . 11134 1 844 . 1 1 77 77 GLY HA2 H 1 4.052 0.030 . 2 . . . . 77 GLY HA2 . 11134 1 845 . 1 1 78 78 PRO HA H 1 4.384 0.030 . 1 . . . . 78 PRO HA . 11134 1 846 . 1 1 78 78 PRO HB2 H 1 1.879 0.030 . 2 . . . . 78 PRO HB2 . 11134 1 847 . 1 1 78 78 PRO HB3 H 1 2.195 0.030 . 2 . . . . 78 PRO HB3 . 11134 1 848 . 1 1 78 78 PRO HD2 H 1 3.540 0.030 . 1 . . . . 78 PRO HD2 . 11134 1 849 . 1 1 78 78 PRO HD3 H 1 3.540 0.030 . 1 . . . . 78 PRO HD3 . 11134 1 850 . 1 1 78 78 PRO HG2 H 1 1.930 0.030 . 1 . . . . 78 PRO HG2 . 11134 1 851 . 1 1 78 78 PRO HG3 H 1 1.930 0.030 . 1 . . . . 78 PRO HG3 . 11134 1 852 . 1 1 78 78 PRO CA C 13 60.971 0.300 . 1 . . . . 78 PRO CA . 11134 1 853 . 1 1 78 78 PRO CB C 13 29.891 0.300 . 1 . . . . 78 PRO CB . 11134 1 854 . 1 1 78 78 PRO CD C 13 47.459 0.300 . 1 . . . . 78 PRO CD . 11134 1 855 . 1 1 78 78 PRO CG C 13 24.826 0.300 . 1 . . . . 78 PRO CG . 11134 1 856 . 1 1 80 80 SER HA H 1 4.403 0.030 . 1 . . . . 80 SER HA . 11134 1 857 . 1 1 80 80 SER HB2 H 1 3.812 0.030 . 2 . . . . 80 SER HB2 . 11134 1 858 . 1 1 80 80 SER CA C 13 55.956 0.300 . 1 . . . . 80 SER CA . 11134 1 859 . 1 1 80 80 SER CB C 13 61.637 0.300 . 1 . . . . 80 SER CB . 11134 1 860 . 1 1 81 81 GLY H H 1 7.960 0.030 . 1 . . . . 81 GLY H . 11134 1 861 . 1 1 81 81 GLY HA2 H 1 3.664 0.030 . 2 . . . . 81 GLY HA2 . 11134 1 862 . 1 1 81 81 GLY HA3 H 1 3.703 0.030 . 2 . . . . 81 GLY HA3 . 11134 1 863 . 1 1 81 81 GLY CA C 13 43.870 0.300 . 1 . . . . 81 GLY CA . 11134 1 864 . 1 1 81 81 GLY N N 15 116.464 0.300 . 1 . . . . 81 GLY N . 11134 1 stop_ save_