data_11236 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11236 _Entry.Title ; Solution structure of the fourth Ig-like domain from myosin light chain kinase, smooth muscle ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _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 X. Qin . . . 11236 2 C. Kurosaki . . . 11236 3 M. Yoshida . . . 11236 4 F. Hayahsi . . . 11236 5 S. Yokoyama . . . 11236 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)' . 11236 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11236 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 400 11236 '15N chemical shifts' 96 11236 '1H chemical shifts' 637 11236 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 . . 2011-08-03 2010-07-23 original author . 11236 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YR3 'BMRB Entry Tracking System' 11236 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11236 _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 fourth Ig-like domain from myosin light chain kinase, smooth muscle ; _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 X. Qin . . . 11236 1 2 C. Kurosaki . . . 11236 1 3 M. Yoshida . . . 11236 1 4 F. Hayashi . . . 11236 1 5 S. Yokoyama . . . 11236 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11236 _Assembly.ID 1 _Assembly.Name 'Myosin light chain kinase, smooth muscle' _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 E.C.2.7.11.18 _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 'Ig domain' 1 $entity_1 A . yes native no no . . . 11236 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 2yr3 . . . . . . 11236 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11236 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ig 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 ; GSSGSSGMEVAPSFSSVLKD CAVIEGQDFVLQCSVRGTPV PRITWLLNGQPIQYARSTCE AGVAELHIQDALPEDHGTYT CLAENALGQVSCSAWVTVH ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2014-05-12 loop_ _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 no PDB 2YR3 . "Solution Structure Of The Fourth Ig-Like Domain From Myosin Light Chain Kinase, Smooth Muscle" . . . . . 100.00 99 100.00 100.00 1.25e-65 . . . . 11236 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ig domain' . 11236 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 . 11236 1 2 . SER . 11236 1 3 . SER . 11236 1 4 . GLY . 11236 1 5 . SER . 11236 1 6 . SER . 11236 1 7 . GLY . 11236 1 8 . MET . 11236 1 9 . GLU . 11236 1 10 . VAL . 11236 1 11 . ALA . 11236 1 12 . PRO . 11236 1 13 . SER . 11236 1 14 . PHE . 11236 1 15 . SER . 11236 1 16 . SER . 11236 1 17 . VAL . 11236 1 18 . LEU . 11236 1 19 . LYS . 11236 1 20 . ASP . 11236 1 21 . CYS . 11236 1 22 . ALA . 11236 1 23 . VAL . 11236 1 24 . ILE . 11236 1 25 . GLU . 11236 1 26 . GLY . 11236 1 27 . GLN . 11236 1 28 . ASP . 11236 1 29 . PHE . 11236 1 30 . VAL . 11236 1 31 . LEU . 11236 1 32 . GLN . 11236 1 33 . CYS . 11236 1 34 . SER . 11236 1 35 . VAL . 11236 1 36 . ARG . 11236 1 37 . GLY . 11236 1 38 . THR . 11236 1 39 . PRO . 11236 1 40 . VAL . 11236 1 41 . PRO . 11236 1 42 . ARG . 11236 1 43 . ILE . 11236 1 44 . THR . 11236 1 45 . TRP . 11236 1 46 . LEU . 11236 1 47 . LEU . 11236 1 48 . ASN . 11236 1 49 . GLY . 11236 1 50 . GLN . 11236 1 51 . PRO . 11236 1 52 . ILE . 11236 1 53 . GLN . 11236 1 54 . TYR . 11236 1 55 . ALA . 11236 1 56 . ARG . 11236 1 57 . SER . 11236 1 58 . THR . 11236 1 59 . CYS . 11236 1 60 . GLU . 11236 1 61 . ALA . 11236 1 62 . GLY . 11236 1 63 . VAL . 11236 1 64 . ALA . 11236 1 65 . GLU . 11236 1 66 . LEU . 11236 1 67 . HIS . 11236 1 68 . ILE . 11236 1 69 . GLN . 11236 1 70 . ASP . 11236 1 71 . ALA . 11236 1 72 . LEU . 11236 1 73 . PRO . 11236 1 74 . GLU . 11236 1 75 . ASP . 11236 1 76 . HIS . 11236 1 77 . GLY . 11236 1 78 . THR . 11236 1 79 . TYR . 11236 1 80 . THR . 11236 1 81 . CYS . 11236 1 82 . LEU . 11236 1 83 . ALA . 11236 1 84 . GLU . 11236 1 85 . ASN . 11236 1 86 . ALA . 11236 1 87 . LEU . 11236 1 88 . GLY . 11236 1 89 . GLN . 11236 1 90 . VAL . 11236 1 91 . SER . 11236 1 92 . CYS . 11236 1 93 . SER . 11236 1 94 . ALA . 11236 1 95 . TRP . 11236 1 96 . VAL . 11236 1 97 . THR . 11236 1 98 . VAL . 11236 1 99 . HIS . 11236 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 11236 1 . SER 2 2 11236 1 . SER 3 3 11236 1 . GLY 4 4 11236 1 . SER 5 5 11236 1 . SER 6 6 11236 1 . GLY 7 7 11236 1 . MET 8 8 11236 1 . GLU 9 9 11236 1 . VAL 10 10 11236 1 . ALA 11 11 11236 1 . PRO 12 12 11236 1 . SER 13 13 11236 1 . PHE 14 14 11236 1 . SER 15 15 11236 1 . SER 16 16 11236 1 . VAL 17 17 11236 1 . LEU 18 18 11236 1 . LYS 19 19 11236 1 . ASP 20 20 11236 1 . CYS 21 21 11236 1 . ALA 22 22 11236 1 . VAL 23 23 11236 1 . ILE 24 24 11236 1 . GLU 25 25 11236 1 . GLY 26 26 11236 1 . GLN 27 27 11236 1 . ASP 28 28 11236 1 . PHE 29 29 11236 1 . VAL 30 30 11236 1 . LEU 31 31 11236 1 . GLN 32 32 11236 1 . CYS 33 33 11236 1 . SER 34 34 11236 1 . VAL 35 35 11236 1 . ARG 36 36 11236 1 . GLY 37 37 11236 1 . THR 38 38 11236 1 . PRO 39 39 11236 1 . VAL 40 40 11236 1 . PRO 41 41 11236 1 . ARG 42 42 11236 1 . ILE 43 43 11236 1 . THR 44 44 11236 1 . TRP 45 45 11236 1 . LEU 46 46 11236 1 . LEU 47 47 11236 1 . ASN 48 48 11236 1 . GLY 49 49 11236 1 . GLN 50 50 11236 1 . PRO 51 51 11236 1 . ILE 52 52 11236 1 . GLN 53 53 11236 1 . TYR 54 54 11236 1 . ALA 55 55 11236 1 . ARG 56 56 11236 1 . SER 57 57 11236 1 . THR 58 58 11236 1 . CYS 59 59 11236 1 . GLU 60 60 11236 1 . ALA 61 61 11236 1 . GLY 62 62 11236 1 . VAL 63 63 11236 1 . ALA 64 64 11236 1 . GLU 65 65 11236 1 . LEU 66 66 11236 1 . HIS 67 67 11236 1 . ILE 68 68 11236 1 . GLN 69 69 11236 1 . ASP 70 70 11236 1 . ALA 71 71 11236 1 . LEU 72 72 11236 1 . PRO 73 73 11236 1 . GLU 74 74 11236 1 . ASP 75 75 11236 1 . HIS 76 76 11236 1 . GLY 77 77 11236 1 . THR 78 78 11236 1 . TYR 79 79 11236 1 . THR 80 80 11236 1 . CYS 81 81 11236 1 . LEU 82 82 11236 1 . ALA 83 83 11236 1 . GLU 84 84 11236 1 . ASN 85 85 11236 1 . ALA 86 86 11236 1 . LEU 87 87 11236 1 . GLY 88 88 11236 1 . GLN 89 89 11236 1 . VAL 90 90 11236 1 . SER 91 91 11236 1 . CYS 92 92 11236 1 . SER 93 93 11236 1 . ALA 94 94 11236 1 . TRP 95 95 11236 1 . VAL 96 96 11236 1 . THR 97 97 11236 1 . VAL 98 98 11236 1 . HIS 99 99 11236 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 11236 _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 . . . . . . . . . . . . . . . . . . . . . 11236 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 11236 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P061030-13 . . . . . . 11236 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11236 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM 13C, 15N-labeled {protein;} 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 'Ig domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11236 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11236 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11236 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11236 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11236 1 6 H2O . . . . . . solvent 90 . . % . . . . 11236 1 7 D2O . . . . . . solvent 10 . . % . . . . 11236 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 11236 _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 11236 1 pH 7.0 0.05 pH 11236 1 pressure 1 0.001 atm 11236 1 temperature 298 0.1 K 11236 1 stop_ save_ ############################ # Computer software used # ############################ save_Delta _Software.Sf_category software _Software.Sf_framecode Delta _Software.Entry_ID 11236 _Software.ID 1 _Software.Name Delta _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID JEOL . . 11236 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11236 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11236 _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.' . . 11236 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11236 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11236 _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.' . . 11236 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11236 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11236 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11236 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11236 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11236 _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.' . . 11236 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11236 5 'structure solution' 11236 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 11236 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11236 _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 JEOL ECA . 700 . . . 11236 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 11236 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11236 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11236 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 11236 _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 . . . . . . . . . 11236 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11236 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11236 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 11236 _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 13C-separated NOESY' 1 $sample_1 isotropic 11236 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11236 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 $Delta . . 11236 1 2 $NMRPipe . . 11236 1 3 $NMRVIEW . . 11236 1 4 $Kujira . . 11236 1 5 $CYANA . . 11236 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 6 6 SER HA H 1 4.387 0.030 . 1 . . . . 6 SER HA . 11236 1 2 . 1 1 6 6 SER HB2 H 1 3.805 0.030 . 1 . . . . 6 SER HB2 . 11236 1 3 . 1 1 6 6 SER HB3 H 1 3.805 0.030 . 1 . . . . 6 SER HB3 . 11236 1 4 . 1 1 6 6 SER C C 13 172.395 0.300 . 1 . . . . 6 SER C . 11236 1 5 . 1 1 6 6 SER CA C 13 56.057 0.300 . 1 . . . . 6 SER CA . 11236 1 6 . 1 1 6 6 SER CB C 13 61.170 0.300 . 1 . . . . 6 SER CB . 11236 1 7 . 1 1 7 7 GLY H H 1 8.348 0.030 . 1 . . . . 7 GLY H . 11236 1 8 . 1 1 7 7 GLY HA2 H 1 3.872 0.030 . 1 . . . . 7 GLY HA2 . 11236 1 9 . 1 1 7 7 GLY HA3 H 1 3.872 0.030 . 1 . . . . 7 GLY HA3 . 11236 1 10 . 1 1 7 7 GLY C C 13 171.256 0.300 . 1 . . . . 7 GLY C . 11236 1 11 . 1 1 7 7 GLY CA C 13 42.686 0.300 . 1 . . . . 7 GLY CA . 11236 1 12 . 1 1 7 7 GLY N N 15 110.787 0.300 . 1 . . . . 7 GLY N . 11236 1 13 . 1 1 8 8 MET H H 1 7.968 0.030 . 1 . . . . 8 MET H . 11236 1 14 . 1 1 8 8 MET HA H 1 4.315 0.030 . 1 . . . . 8 MET HA . 11236 1 15 . 1 1 8 8 MET HB2 H 1 1.960 0.030 . 2 . . . . 8 MET HB2 . 11236 1 16 . 1 1 8 8 MET HB3 H 1 1.845 0.030 . 2 . . . . 8 MET HB3 . 11236 1 17 . 1 1 8 8 MET HE1 H 1 1.981 0.030 . 1 . . . . 8 MET HE . 11236 1 18 . 1 1 8 8 MET HE2 H 1 1.981 0.030 . 1 . . . . 8 MET HE . 11236 1 19 . 1 1 8 8 MET HE3 H 1 1.981 0.030 . 1 . . . . 8 MET HE . 11236 1 20 . 1 1 8 8 MET HG2 H 1 2.445 0.030 . 2 . . . . 8 MET HG2 . 11236 1 21 . 1 1 8 8 MET HG3 H 1 2.379 0.030 . 2 . . . . 8 MET HG3 . 11236 1 22 . 1 1 8 8 MET C C 13 173.009 0.300 . 1 . . . . 8 MET C . 11236 1 23 . 1 1 8 8 MET CA C 13 52.726 0.300 . 1 . . . . 8 MET CA . 11236 1 24 . 1 1 8 8 MET CB C 13 30.275 0.300 . 1 . . . . 8 MET CB . 11236 1 25 . 1 1 8 8 MET CE C 13 14.179 0.300 . 1 . . . . 8 MET CE . 11236 1 26 . 1 1 8 8 MET CG C 13 29.266 0.300 . 1 . . . . 8 MET CG . 11236 1 27 . 1 1 8 8 MET N N 15 119.383 0.300 . 1 . . . . 8 MET N . 11236 1 28 . 1 1 9 9 GLU H H 1 8.129 0.030 . 1 . . . . 9 GLU H . 11236 1 29 . 1 1 9 9 GLU HA H 1 4.018 0.030 . 1 . . . . 9 GLU HA . 11236 1 30 . 1 1 9 9 GLU HB2 H 1 1.778 0.030 . 2 . . . . 9 GLU HB2 . 11236 1 31 . 1 1 9 9 GLU HB3 H 1 1.960 0.030 . 2 . . . . 9 GLU HB3 . 11236 1 32 . 1 1 9 9 GLU HG2 H 1 2.176 0.030 . 2 . . . . 9 GLU HG2 . 11236 1 33 . 1 1 9 9 GLU HG3 H 1 1.989 0.030 . 2 . . . . 9 GLU HG3 . 11236 1 34 . 1 1 9 9 GLU C C 13 173.458 0.300 . 1 . . . . 9 GLU C . 11236 1 35 . 1 1 9 9 GLU CA C 13 54.575 0.300 . 1 . . . . 9 GLU CA . 11236 1 36 . 1 1 9 9 GLU CB C 13 27.635 0.300 . 1 . . . . 9 GLU CB . 11236 1 37 . 1 1 9 9 GLU CG C 13 34.591 0.300 . 1 . . . . 9 GLU CG . 11236 1 38 . 1 1 9 9 GLU N N 15 121.361 0.300 . 1 . . . . 9 GLU N . 11236 1 39 . 1 1 10 10 VAL H H 1 9.426 0.030 . 1 . . . . 10 VAL H . 11236 1 40 . 1 1 10 10 VAL HA H 1 4.185 0.030 . 1 . . . . 10 VAL HA . 11236 1 41 . 1 1 10 10 VAL HB H 1 1.871 0.030 . 1 . . . . 10 VAL HB . 11236 1 42 . 1 1 10 10 VAL HG11 H 1 0.850 0.030 . 1 . . . . 10 VAL HG1 . 11236 1 43 . 1 1 10 10 VAL HG12 H 1 0.850 0.030 . 1 . . . . 10 VAL HG1 . 11236 1 44 . 1 1 10 10 VAL HG13 H 1 0.850 0.030 . 1 . . . . 10 VAL HG1 . 11236 1 45 . 1 1 10 10 VAL HG21 H 1 0.842 0.030 . 1 . . . . 10 VAL HG2 . 11236 1 46 . 1 1 10 10 VAL HG22 H 1 0.842 0.030 . 1 . . . . 10 VAL HG2 . 11236 1 47 . 1 1 10 10 VAL HG23 H 1 0.842 0.030 . 1 . . . . 10 VAL HG2 . 11236 1 48 . 1 1 10 10 VAL C C 13 171.486 0.300 . 1 . . . . 10 VAL C . 11236 1 49 . 1 1 10 10 VAL CA C 13 58.566 0.300 . 1 . . . . 10 VAL CA . 11236 1 50 . 1 1 10 10 VAL CB C 13 32.947 0.300 . 1 . . . . 10 VAL CB . 11236 1 51 . 1 1 10 10 VAL CG1 C 13 18.011 0.300 . 2 . . . . 10 VAL CG1 . 11236 1 52 . 1 1 10 10 VAL CG2 C 13 18.140 0.300 . 2 . . . . 10 VAL CG2 . 11236 1 53 . 1 1 10 10 VAL N N 15 121.257 0.300 . 1 . . . . 10 VAL N . 11236 1 54 . 1 1 11 11 ALA H H 1 8.477 0.030 . 1 . . . . 11 ALA H . 11236 1 55 . 1 1 11 11 ALA HA H 1 4.286 0.030 . 1 . . . . 11 ALA HA . 11236 1 56 . 1 1 11 11 ALA HB1 H 1 1.112 0.030 . 1 . . . . 11 ALA HB . 11236 1 57 . 1 1 11 11 ALA HB2 H 1 1.112 0.030 . 1 . . . . 11 ALA HB . 11236 1 58 . 1 1 11 11 ALA HB3 H 1 1.112 0.030 . 1 . . . . 11 ALA HB . 11236 1 59 . 1 1 11 11 ALA C C 13 170.417 0.300 . 1 . . . . 11 ALA C . 11236 1 60 . 1 1 11 11 ALA CA C 13 48.302 0.300 . 1 . . . . 11 ALA CA . 11236 1 61 . 1 1 11 11 ALA CB C 13 13.936 0.300 . 1 . . . . 11 ALA CB . 11236 1 62 . 1 1 11 11 ALA N N 15 129.203 0.300 . 1 . . . . 11 ALA N . 11236 1 63 . 1 1 12 12 PRO HA H 1 4.860 0.030 . 1 . . . . 12 PRO HA . 11236 1 64 . 1 1 12 12 PRO HB2 H 1 1.561 0.030 . 2 . . . . 12 PRO HB2 . 11236 1 65 . 1 1 12 12 PRO HB3 H 1 1.284 0.030 . 2 . . . . 12 PRO HB3 . 11236 1 66 . 1 1 12 12 PRO HD2 H 1 2.788 0.030 . 2 . . . . 12 PRO HD2 . 11236 1 67 . 1 1 12 12 PRO HD3 H 1 3.719 0.030 . 2 . . . . 12 PRO HD3 . 11236 1 68 . 1 1 12 12 PRO HG2 H 1 1.643 0.030 . 2 . . . . 12 PRO HG2 . 11236 1 69 . 1 1 12 12 PRO HG3 H 1 1.302 0.030 . 2 . . . . 12 PRO HG3 . 11236 1 70 . 1 1 12 12 PRO C C 13 171.785 0.300 . 1 . . . . 12 PRO C . 11236 1 71 . 1 1 12 12 PRO CA C 13 59.042 0.300 . 1 . . . . 12 PRO CA . 11236 1 72 . 1 1 12 12 PRO CB C 13 29.328 0.300 . 1 . . . . 12 PRO CB . 11236 1 73 . 1 1 12 12 PRO CD C 13 47.276 0.300 . 1 . . . . 12 PRO CD . 11236 1 74 . 1 1 12 12 PRO CG C 13 25.456 0.300 . 1 . . . . 12 PRO CG . 11236 1 75 . 1 1 13 13 SER H H 1 7.713 0.030 . 1 . . . . 13 SER H . 11236 1 76 . 1 1 13 13 SER HA H 1 4.144 0.030 . 1 . . . . 13 SER HA . 11236 1 77 . 1 1 13 13 SER HB2 H 1 3.677 0.030 . 2 . . . . 13 SER HB2 . 11236 1 78 . 1 1 13 13 SER HB3 H 1 3.589 0.030 . 2 . . . . 13 SER HB3 . 11236 1 79 . 1 1 13 13 SER C C 13 169.583 0.300 . 1 . . . . 13 SER C . 11236 1 80 . 1 1 13 13 SER CA C 13 54.672 0.300 . 1 . . . . 13 SER CA . 11236 1 81 . 1 1 13 13 SER CB C 13 62.575 0.300 . 1 . . . . 13 SER CB . 11236 1 82 . 1 1 13 13 SER N N 15 109.444 0.300 . 1 . . . . 13 SER N . 11236 1 83 . 1 1 14 14 PHE H H 1 8.775 0.030 . 1 . . . . 14 PHE H . 11236 1 84 . 1 1 14 14 PHE HA H 1 5.249 0.030 . 1 . . . . 14 PHE HA . 11236 1 85 . 1 1 14 14 PHE HB2 H 1 2.988 0.030 . 2 . . . . 14 PHE HB2 . 11236 1 86 . 1 1 14 14 PHE HB3 H 1 2.590 0.030 . 2 . . . . 14 PHE HB3 . 11236 1 87 . 1 1 14 14 PHE HD1 H 1 7.172 0.030 . 1 . . . . 14 PHE HD1 . 11236 1 88 . 1 1 14 14 PHE HD2 H 1 7.172 0.030 . 1 . . . . 14 PHE HD2 . 11236 1 89 . 1 1 14 14 PHE HE1 H 1 6.935 0.030 . 1 . . . . 14 PHE HE1 . 11236 1 90 . 1 1 14 14 PHE HE2 H 1 6.935 0.030 . 1 . . . . 14 PHE HE2 . 11236 1 91 . 1 1 14 14 PHE HZ H 1 7.013 0.030 . 1 . . . . 14 PHE HZ . 11236 1 92 . 1 1 14 14 PHE C C 13 174.364 0.300 . 1 . . . . 14 PHE C . 11236 1 93 . 1 1 14 14 PHE CA C 13 55.251 0.300 . 1 . . . . 14 PHE CA . 11236 1 94 . 1 1 14 14 PHE CB C 13 37.668 0.300 . 1 . . . . 14 PHE CB . 11236 1 95 . 1 1 14 14 PHE CD1 C 13 129.235 0.300 . 1 . . . . 14 PHE CD1 . 11236 1 96 . 1 1 14 14 PHE CD2 C 13 129.235 0.300 . 1 . . . . 14 PHE CD2 . 11236 1 97 . 1 1 14 14 PHE CE1 C 13 129.231 0.300 . 1 . . . . 14 PHE CE1 . 11236 1 98 . 1 1 14 14 PHE CE2 C 13 129.231 0.300 . 1 . . . . 14 PHE CE2 . 11236 1 99 . 1 1 14 14 PHE CZ C 13 127.397 0.300 . 1 . . . . 14 PHE CZ . 11236 1 100 . 1 1 14 14 PHE N N 15 117.358 0.300 . 1 . . . . 14 PHE N . 11236 1 101 . 1 1 15 15 SER H H 1 8.573 0.030 . 1 . . . . 15 SER H . 11236 1 102 . 1 1 15 15 SER HA H 1 4.417 0.030 . 1 . . . . 15 SER HA . 11236 1 103 . 1 1 15 15 SER HB2 H 1 3.823 0.030 . 2 . . . . 15 SER HB2 . 11236 1 104 . 1 1 15 15 SER HB3 H 1 3.546 0.030 . 2 . . . . 15 SER HB3 . 11236 1 105 . 1 1 15 15 SER C C 13 172.562 0.300 . 1 . . . . 15 SER C . 11236 1 106 . 1 1 15 15 SER CA C 13 56.114 0.300 . 1 . . . . 15 SER CA . 11236 1 107 . 1 1 15 15 SER CB C 13 60.661 0.300 . 1 . . . . 15 SER CB . 11236 1 108 . 1 1 15 15 SER N N 15 119.261 0.300 . 1 . . . . 15 SER N . 11236 1 109 . 1 1 16 16 SER H H 1 7.777 0.030 . 1 . . . . 16 SER H . 11236 1 110 . 1 1 16 16 SER HA H 1 4.705 0.030 . 1 . . . . 16 SER HA . 11236 1 111 . 1 1 16 16 SER HB2 H 1 3.835 0.030 . 1 . . . . 16 SER HB2 . 11236 1 112 . 1 1 16 16 SER HB3 H 1 3.835 0.030 . 1 . . . . 16 SER HB3 . 11236 1 113 . 1 1 16 16 SER C C 13 171.336 0.300 . 1 . . . . 16 SER C . 11236 1 114 . 1 1 16 16 SER CA C 13 55.601 0.300 . 1 . . . . 16 SER CA . 11236 1 115 . 1 1 16 16 SER CB C 13 62.114 0.300 . 1 . . . . 16 SER CB . 11236 1 116 . 1 1 16 16 SER N N 15 116.310 0.300 . 1 . . . . 16 SER N . 11236 1 117 . 1 1 17 17 VAL H H 1 8.097 0.030 . 1 . . . . 17 VAL H . 11236 1 118 . 1 1 17 17 VAL HA H 1 4.455 0.030 . 1 . . . . 17 VAL HA . 11236 1 119 . 1 1 17 17 VAL HB H 1 2.264 0.030 . 1 . . . . 17 VAL HB . 11236 1 120 . 1 1 17 17 VAL HG11 H 1 0.829 0.030 . 1 . . . . 17 VAL HG1 . 11236 1 121 . 1 1 17 17 VAL HG12 H 1 0.829 0.030 . 1 . . . . 17 VAL HG1 . 11236 1 122 . 1 1 17 17 VAL HG13 H 1 0.829 0.030 . 1 . . . . 17 VAL HG1 . 11236 1 123 . 1 1 17 17 VAL HG21 H 1 0.780 0.030 . 1 . . . . 17 VAL HG2 . 11236 1 124 . 1 1 17 17 VAL HG22 H 1 0.780 0.030 . 1 . . . . 17 VAL HG2 . 11236 1 125 . 1 1 17 17 VAL HG23 H 1 0.780 0.030 . 1 . . . . 17 VAL HG2 . 11236 1 126 . 1 1 17 17 VAL C C 13 173.345 0.300 . 1 . . . . 17 VAL C . 11236 1 127 . 1 1 17 17 VAL CA C 13 57.488 0.300 . 1 . . . . 17 VAL CA . 11236 1 128 . 1 1 17 17 VAL CB C 13 31.597 0.300 . 1 . . . . 17 VAL CB . 11236 1 129 . 1 1 17 17 VAL CG1 C 13 14.757 0.300 . 2 . . . . 17 VAL CG1 . 11236 1 130 . 1 1 17 17 VAL CG2 C 13 18.584 0.300 . 2 . . . . 17 VAL CG2 . 11236 1 131 . 1 1 17 17 VAL N N 15 114.485 0.300 . 1 . . . . 17 VAL N . 11236 1 132 . 1 1 18 18 LEU H H 1 6.479 0.030 . 1 . . . . 18 LEU H . 11236 1 133 . 1 1 18 18 LEU HA H 1 4.212 0.030 . 1 . . . . 18 LEU HA . 11236 1 134 . 1 1 18 18 LEU HB2 H 1 1.335 0.030 . 2 . . . . 18 LEU HB2 . 11236 1 135 . 1 1 18 18 LEU HB3 H 1 1.281 0.030 . 2 . . . . 18 LEU HB3 . 11236 1 136 . 1 1 18 18 LEU HD11 H 1 0.848 0.030 . 1 . . . . 18 LEU HD1 . 11236 1 137 . 1 1 18 18 LEU HD12 H 1 0.848 0.030 . 1 . . . . 18 LEU HD1 . 11236 1 138 . 1 1 18 18 LEU HD13 H 1 0.848 0.030 . 1 . . . . 18 LEU HD1 . 11236 1 139 . 1 1 18 18 LEU HD21 H 1 0.958 0.030 . 1 . . . . 18 LEU HD2 . 11236 1 140 . 1 1 18 18 LEU HD22 H 1 0.958 0.030 . 1 . . . . 18 LEU HD2 . 11236 1 141 . 1 1 18 18 LEU HD23 H 1 0.958 0.030 . 1 . . . . 18 LEU HD2 . 11236 1 142 . 1 1 18 18 LEU HG H 1 1.560 0.030 . 1 . . . . 18 LEU HG . 11236 1 143 . 1 1 18 18 LEU C C 13 173.617 0.300 . 1 . . . . 18 LEU C . 11236 1 144 . 1 1 18 18 LEU CA C 13 52.488 0.300 . 1 . . . . 18 LEU CA . 11236 1 145 . 1 1 18 18 LEU CB C 13 42.253 0.300 . 1 . . . . 18 LEU CB . 11236 1 146 . 1 1 18 18 LEU CD1 C 13 23.653 0.300 . 2 . . . . 18 LEU CD1 . 11236 1 147 . 1 1 18 18 LEU CD2 C 13 21.210 0.300 . 2 . . . . 18 LEU CD2 . 11236 1 148 . 1 1 18 18 LEU CG C 13 24.210 0.300 . 1 . . . . 18 LEU CG . 11236 1 149 . 1 1 18 18 LEU N N 15 118.942 0.300 . 1 . . . . 18 LEU N . 11236 1 150 . 1 1 19 19 LYS H H 1 8.092 0.030 . 1 . . . . 19 LYS H . 11236 1 151 . 1 1 19 19 LYS HA H 1 4.656 0.030 . 1 . . . . 19 LYS HA . 11236 1 152 . 1 1 19 19 LYS HB2 H 1 1.674 0.030 . 2 . . . . 19 LYS HB2 . 11236 1 153 . 1 1 19 19 LYS HB3 H 1 1.859 0.030 . 2 . . . . 19 LYS HB3 . 11236 1 154 . 1 1 19 19 LYS HD2 H 1 1.698 0.030 . 1 . . . . 19 LYS HD2 . 11236 1 155 . 1 1 19 19 LYS HD3 H 1 1.698 0.030 . 1 . . . . 19 LYS HD3 . 11236 1 156 . 1 1 19 19 LYS HE2 H 1 3.021 0.030 . 1 . . . . 19 LYS HE2 . 11236 1 157 . 1 1 19 19 LYS HE3 H 1 3.021 0.030 . 1 . . . . 19 LYS HE3 . 11236 1 158 . 1 1 19 19 LYS HG2 H 1 1.494 0.030 . 1 . . . . 19 LYS HG2 . 11236 1 159 . 1 1 19 19 LYS HG3 H 1 1.494 0.030 . 1 . . . . 19 LYS HG3 . 11236 1 160 . 1 1 19 19 LYS CA C 13 51.810 0.300 . 1 . . . . 19 LYS CA . 11236 1 161 . 1 1 19 19 LYS CB C 13 32.436 0.300 . 1 . . . . 19 LYS CB . 11236 1 162 . 1 1 19 19 LYS CD C 13 26.479 0.300 . 1 . . . . 19 LYS CD . 11236 1 163 . 1 1 19 19 LYS CE C 13 39.706 0.300 . 1 . . . . 19 LYS CE . 11236 1 164 . 1 1 19 19 LYS CG C 13 21.954 0.300 . 1 . . . . 19 LYS CG . 11236 1 165 . 1 1 19 19 LYS N N 15 120.110 0.300 . 1 . . . . 19 LYS N . 11236 1 166 . 1 1 20 20 ASP H H 1 8.279 0.030 . 1 . . . . 20 ASP H . 11236 1 167 . 1 1 20 20 ASP HA H 1 4.619 0.030 . 1 . . . . 20 ASP HA . 11236 1 168 . 1 1 20 20 ASP HB2 H 1 2.512 0.030 . 2 . . . . 20 ASP HB2 . 11236 1 169 . 1 1 20 20 ASP HB3 H 1 2.862 0.030 . 2 . . . . 20 ASP HB3 . 11236 1 170 . 1 1 20 20 ASP C C 13 173.983 0.300 . 1 . . . . 20 ASP C . 11236 1 171 . 1 1 20 20 ASP CA C 13 52.638 0.300 . 1 . . . . 20 ASP CA . 11236 1 172 . 1 1 20 20 ASP CB C 13 38.215 0.300 . 1 . . . . 20 ASP CB . 11236 1 173 . 1 1 21 21 CYS H H 1 8.173 0.030 . 1 . . . . 21 CYS H . 11236 1 174 . 1 1 21 21 CYS HA H 1 4.757 0.030 . 1 . . . . 21 CYS HA . 11236 1 175 . 1 1 21 21 CYS HB2 H 1 2.648 0.030 . 2 . . . . 21 CYS HB2 . 11236 1 176 . 1 1 21 21 CYS HB3 H 1 2.742 0.030 . 2 . . . . 21 CYS HB3 . 11236 1 177 . 1 1 21 21 CYS C C 13 168.561 0.300 . 1 . . . . 21 CYS C . 11236 1 178 . 1 1 21 21 CYS CA C 13 54.237 0.300 . 1 . . . . 21 CYS CA . 11236 1 179 . 1 1 21 21 CYS CB C 13 28.339 0.300 . 1 . . . . 21 CYS CB . 11236 1 180 . 1 1 21 21 CYS N N 15 115.168 0.300 . 1 . . . . 21 CYS N . 11236 1 181 . 1 1 22 22 ALA H H 1 8.159 0.030 . 1 . . . . 22 ALA H . 11236 1 182 . 1 1 22 22 ALA HA H 1 5.145 0.030 . 1 . . . . 22 ALA HA . 11236 1 183 . 1 1 22 22 ALA HB1 H 1 1.089 0.030 . 1 . . . . 22 ALA HB . 11236 1 184 . 1 1 22 22 ALA HB2 H 1 1.089 0.030 . 1 . . . . 22 ALA HB . 11236 1 185 . 1 1 22 22 ALA HB3 H 1 1.089 0.030 . 1 . . . . 22 ALA HB . 11236 1 186 . 1 1 22 22 ALA C C 13 173.656 0.300 . 1 . . . . 22 ALA C . 11236 1 187 . 1 1 22 22 ALA CA C 13 47.744 0.300 . 1 . . . . 22 ALA CA . 11236 1 188 . 1 1 22 22 ALA CB C 13 18.478 0.300 . 1 . . . . 22 ALA CB . 11236 1 189 . 1 1 22 22 ALA N N 15 124.918 0.300 . 1 . . . . 22 ALA N . 11236 1 190 . 1 1 23 23 VAL H H 1 8.684 0.030 . 1 . . . . 23 VAL H . 11236 1 191 . 1 1 23 23 VAL HA H 1 4.340 0.030 . 1 . . . . 23 VAL HA . 11236 1 192 . 1 1 23 23 VAL HB H 1 1.665 0.030 . 1 . . . . 23 VAL HB . 11236 1 193 . 1 1 23 23 VAL HG11 H 1 0.211 0.030 . 1 . . . . 23 VAL HG1 . 11236 1 194 . 1 1 23 23 VAL HG12 H 1 0.211 0.030 . 1 . . . . 23 VAL HG1 . 11236 1 195 . 1 1 23 23 VAL HG13 H 1 0.211 0.030 . 1 . . . . 23 VAL HG1 . 11236 1 196 . 1 1 23 23 VAL HG21 H 1 0.247 0.030 . 1 . . . . 23 VAL HG2 . 11236 1 197 . 1 1 23 23 VAL HG22 H 1 0.247 0.030 . 1 . . . . 23 VAL HG2 . 11236 1 198 . 1 1 23 23 VAL HG23 H 1 0.247 0.030 . 1 . . . . 23 VAL HG2 . 11236 1 199 . 1 1 23 23 VAL C C 13 171.181 0.300 . 1 . . . . 23 VAL C . 11236 1 200 . 1 1 23 23 VAL CA C 13 56.520 0.300 . 1 . . . . 23 VAL CA . 11236 1 201 . 1 1 23 23 VAL CB C 13 32.431 0.300 . 1 . . . . 23 VAL CB . 11236 1 202 . 1 1 23 23 VAL CG1 C 13 16.903 0.300 . 2 . . . . 23 VAL CG1 . 11236 1 203 . 1 1 23 23 VAL CG2 C 13 17.917 0.300 . 2 . . . . 23 VAL CG2 . 11236 1 204 . 1 1 23 23 VAL N N 15 119.604 0.300 . 1 . . . . 23 VAL N . 11236 1 205 . 1 1 24 24 ILE H H 1 7.978 0.030 . 1 . . . . 24 ILE H . 11236 1 206 . 1 1 24 24 ILE HA H 1 4.365 0.030 . 1 . . . . 24 ILE HA . 11236 1 207 . 1 1 24 24 ILE HB H 1 1.554 0.030 . 1 . . . . 24 ILE HB . 11236 1 208 . 1 1 24 24 ILE HD11 H 1 0.718 0.030 . 1 . . . . 24 ILE HD1 . 11236 1 209 . 1 1 24 24 ILE HD12 H 1 0.718 0.030 . 1 . . . . 24 ILE HD1 . 11236 1 210 . 1 1 24 24 ILE HD13 H 1 0.718 0.030 . 1 . . . . 24 ILE HD1 . 11236 1 211 . 1 1 24 24 ILE HG12 H 1 1.366 0.030 . 2 . . . . 24 ILE HG12 . 11236 1 212 . 1 1 24 24 ILE HG13 H 1 1.040 0.030 . 2 . . . . 24 ILE HG13 . 11236 1 213 . 1 1 24 24 ILE HG21 H 1 0.898 0.030 . 1 . . . . 24 ILE HG2 . 11236 1 214 . 1 1 24 24 ILE HG22 H 1 0.898 0.030 . 1 . . . . 24 ILE HG2 . 11236 1 215 . 1 1 24 24 ILE HG23 H 1 0.898 0.030 . 1 . . . . 24 ILE HG2 . 11236 1 216 . 1 1 24 24 ILE C C 13 172.924 0.300 . 1 . . . . 24 ILE C . 11236 1 217 . 1 1 24 24 ILE CA C 13 56.821 0.300 . 1 . . . . 24 ILE CA . 11236 1 218 . 1 1 24 24 ILE CB C 13 36.421 0.300 . 1 . . . . 24 ILE CB . 11236 1 219 . 1 1 24 24 ILE CD1 C 13 9.923 0.300 . 1 . . . . 24 ILE CD1 . 11236 1 220 . 1 1 24 24 ILE CG1 C 13 24.970 0.300 . 1 . . . . 24 ILE CG1 . 11236 1 221 . 1 1 24 24 ILE CG2 C 13 14.693 0.300 . 1 . . . . 24 ILE CG2 . 11236 1 222 . 1 1 24 24 ILE N N 15 122.816 0.300 . 1 . . . . 24 ILE N . 11236 1 223 . 1 1 25 25 GLU H H 1 8.418 0.030 . 1 . . . . 25 GLU H . 11236 1 224 . 1 1 25 25 GLU HA H 1 3.626 0.030 . 1 . . . . 25 GLU HA . 11236 1 225 . 1 1 25 25 GLU HB2 H 1 1.796 0.030 . 1 . . . . 25 GLU HB2 . 11236 1 226 . 1 1 25 25 GLU HB3 H 1 1.796 0.030 . 1 . . . . 25 GLU HB3 . 11236 1 227 . 1 1 25 25 GLU HG2 H 1 2.324 0.030 . 2 . . . . 25 GLU HG2 . 11236 1 228 . 1 1 25 25 GLU HG3 H 1 2.041 0.030 . 2 . . . . 25 GLU HG3 . 11236 1 229 . 1 1 25 25 GLU C C 13 174.893 0.300 . 1 . . . . 25 GLU C . 11236 1 230 . 1 1 25 25 GLU CA C 13 55.645 0.300 . 1 . . . . 25 GLU CA . 11236 1 231 . 1 1 25 25 GLU CB C 13 27.078 0.300 . 1 . . . . 25 GLU CB . 11236 1 232 . 1 1 25 25 GLU CG C 13 33.922 0.300 . 1 . . . . 25 GLU CG . 11236 1 233 . 1 1 25 25 GLU N N 15 125.655 0.300 . 1 . . . . 25 GLU N . 11236 1 234 . 1 1 26 26 GLY H H 1 10.118 0.030 . 1 . . . . 26 GLY H . 11236 1 235 . 1 1 26 26 GLY HA2 H 1 3.839 0.030 . 2 . . . . 26 GLY HA2 . 11236 1 236 . 1 1 26 26 GLY HA3 H 1 4.226 0.030 . 2 . . . . 26 GLY HA3 . 11236 1 237 . 1 1 26 26 GLY C C 13 172.156 0.300 . 1 . . . . 26 GLY C . 11236 1 238 . 1 1 26 26 GLY CA C 13 42.056 0.300 . 1 . . . . 26 GLY CA . 11236 1 239 . 1 1 26 26 GLY N N 15 116.164 0.300 . 1 . . . . 26 GLY N . 11236 1 240 . 1 1 27 27 GLN H H 1 8.129 0.030 . 1 . . . . 27 GLN H . 11236 1 241 . 1 1 27 27 GLN HA H 1 4.501 0.030 . 1 . . . . 27 GLN HA . 11236 1 242 . 1 1 27 27 GLN HB2 H 1 2.230 0.030 . 2 . . . . 27 GLN HB2 . 11236 1 243 . 1 1 27 27 GLN HB3 H 1 2.155 0.030 . 2 . . . . 27 GLN HB3 . 11236 1 244 . 1 1 27 27 GLN HE21 H 1 7.616 0.030 . 2 . . . . 27 GLN HE21 . 11236 1 245 . 1 1 27 27 GLN HE22 H 1 6.839 0.030 . 2 . . . . 27 GLN HE22 . 11236 1 246 . 1 1 27 27 GLN HG2 H 1 2.423 0.030 . 2 . . . . 27 GLN HG2 . 11236 1 247 . 1 1 27 27 GLN HG3 H 1 2.329 0.030 . 2 . . . . 27 GLN HG3 . 11236 1 248 . 1 1 27 27 GLN C C 13 171.914 0.300 . 1 . . . . 27 GLN C . 11236 1 249 . 1 1 27 27 GLN CA C 13 52.662 0.300 . 1 . . . . 27 GLN CA . 11236 1 250 . 1 1 27 27 GLN CB C 13 27.715 0.300 . 1 . . . . 27 GLN CB . 11236 1 251 . 1 1 27 27 GLN CG C 13 31.824 0.300 . 1 . . . . 27 GLN CG . 11236 1 252 . 1 1 27 27 GLN N N 15 120.280 0.300 . 1 . . . . 27 GLN N . 11236 1 253 . 1 1 27 27 GLN NE2 N 15 112.573 0.300 . 1 . . . . 27 GLN NE2 . 11236 1 254 . 1 1 28 28 ASP H H 1 8.196 0.030 . 1 . . . . 28 ASP H . 11236 1 255 . 1 1 28 28 ASP HA H 1 5.226 0.030 . 1 . . . . 28 ASP HA . 11236 1 256 . 1 1 28 28 ASP HB2 H 1 2.729 0.030 . 2 . . . . 28 ASP HB2 . 11236 1 257 . 1 1 28 28 ASP HB3 H 1 2.557 0.030 . 2 . . . . 28 ASP HB3 . 11236 1 258 . 1 1 28 28 ASP C C 13 173.967 0.300 . 1 . . . . 28 ASP C . 11236 1 259 . 1 1 28 28 ASP CA C 13 50.136 0.300 . 1 . . . . 28 ASP CA . 11236 1 260 . 1 1 28 28 ASP CB C 13 39.329 0.300 . 1 . . . . 28 ASP CB . 11236 1 261 . 1 1 28 28 ASP N N 15 120.458 0.300 . 1 . . . . 28 ASP N . 11236 1 262 . 1 1 29 29 PHE H H 1 8.944 0.030 . 1 . . . . 29 PHE H . 11236 1 263 . 1 1 29 29 PHE HA H 1 4.833 0.030 . 1 . . . . 29 PHE HA . 11236 1 264 . 1 1 29 29 PHE HB2 H 1 2.855 0.030 . 1 . . . . 29 PHE HB2 . 11236 1 265 . 1 1 29 29 PHE HB3 H 1 2.855 0.030 . 1 . . . . 29 PHE HB3 . 11236 1 266 . 1 1 29 29 PHE HD1 H 1 6.638 0.030 . 1 . . . . 29 PHE HD1 . 11236 1 267 . 1 1 29 29 PHE HD2 H 1 6.638 0.030 . 1 . . . . 29 PHE HD2 . 11236 1 268 . 1 1 29 29 PHE HE1 H 1 6.571 0.030 . 1 . . . . 29 PHE HE1 . 11236 1 269 . 1 1 29 29 PHE HE2 H 1 6.571 0.030 . 1 . . . . 29 PHE HE2 . 11236 1 270 . 1 1 29 29 PHE HZ H 1 6.879 0.030 . 1 . . . . 29 PHE HZ . 11236 1 271 . 1 1 29 29 PHE C C 13 169.346 0.300 . 1 . . . . 29 PHE C . 11236 1 272 . 1 1 29 29 PHE CA C 13 54.245 0.300 . 1 . . . . 29 PHE CA . 11236 1 273 . 1 1 29 29 PHE CB C 13 38.896 0.300 . 1 . . . . 29 PHE CB . 11236 1 274 . 1 1 29 29 PHE CD1 C 13 129.620 0.300 . 1 . . . . 29 PHE CD1 . 11236 1 275 . 1 1 29 29 PHE CD2 C 13 129.620 0.300 . 1 . . . . 29 PHE CD2 . 11236 1 276 . 1 1 29 29 PHE CE1 C 13 127.737 0.300 . 1 . . . . 29 PHE CE1 . 11236 1 277 . 1 1 29 29 PHE CE2 C 13 127.737 0.300 . 1 . . . . 29 PHE CE2 . 11236 1 278 . 1 1 29 29 PHE CZ C 13 127.500 0.300 . 1 . . . . 29 PHE CZ . 11236 1 279 . 1 1 29 29 PHE N N 15 117.073 0.300 . 1 . . . . 29 PHE N . 11236 1 280 . 1 1 30 30 VAL H H 1 8.057 0.030 . 1 . . . . 30 VAL H . 11236 1 281 . 1 1 30 30 VAL HA H 1 4.714 0.030 . 1 . . . . 30 VAL HA . 11236 1 282 . 1 1 30 30 VAL HB H 1 1.539 0.030 . 1 . . . . 30 VAL HB . 11236 1 283 . 1 1 30 30 VAL HG11 H 1 0.386 0.030 . 1 . . . . 30 VAL HG1 . 11236 1 284 . 1 1 30 30 VAL HG12 H 1 0.386 0.030 . 1 . . . . 30 VAL HG1 . 11236 1 285 . 1 1 30 30 VAL HG13 H 1 0.386 0.030 . 1 . . . . 30 VAL HG1 . 11236 1 286 . 1 1 30 30 VAL HG21 H 1 0.350 0.030 . 1 . . . . 30 VAL HG2 . 11236 1 287 . 1 1 30 30 VAL HG22 H 1 0.350 0.030 . 1 . . . . 30 VAL HG2 . 11236 1 288 . 1 1 30 30 VAL HG23 H 1 0.350 0.030 . 1 . . . . 30 VAL HG2 . 11236 1 289 . 1 1 30 30 VAL C C 13 172.982 0.300 . 1 . . . . 30 VAL C . 11236 1 290 . 1 1 30 30 VAL CA C 13 56.770 0.300 . 1 . . . . 30 VAL CA . 11236 1 291 . 1 1 30 30 VAL CB C 13 32.399 0.300 . 1 . . . . 30 VAL CB . 11236 1 292 . 1 1 30 30 VAL CG1 C 13 17.886 0.300 . 2 . . . . 30 VAL CG1 . 11236 1 293 . 1 1 30 30 VAL CG2 C 13 18.336 0.300 . 2 . . . . 30 VAL CG2 . 11236 1 294 . 1 1 30 30 VAL N N 15 119.144 0.300 . 1 . . . . 30 VAL N . 11236 1 295 . 1 1 31 31 LEU H H 1 8.379 0.030 . 1 . . . . 31 LEU H . 11236 1 296 . 1 1 31 31 LEU HA H 1 4.553 0.030 . 1 . . . . 31 LEU HA . 11236 1 297 . 1 1 31 31 LEU HB2 H 1 1.329 0.030 . 1 . . . . 31 LEU HB2 . 11236 1 298 . 1 1 31 31 LEU HB3 H 1 1.329 0.030 . 1 . . . . 31 LEU HB3 . 11236 1 299 . 1 1 31 31 LEU HD11 H 1 0.290 0.030 . 1 . . . . 31 LEU HD1 . 11236 1 300 . 1 1 31 31 LEU HD12 H 1 0.290 0.030 . 1 . . . . 31 LEU HD1 . 11236 1 301 . 1 1 31 31 LEU HD13 H 1 0.290 0.030 . 1 . . . . 31 LEU HD1 . 11236 1 302 . 1 1 31 31 LEU HD21 H 1 0.693 0.030 . 1 . . . . 31 LEU HD2 . 11236 1 303 . 1 1 31 31 LEU HD22 H 1 0.693 0.030 . 1 . . . . 31 LEU HD2 . 11236 1 304 . 1 1 31 31 LEU HD23 H 1 0.693 0.030 . 1 . . . . 31 LEU HD2 . 11236 1 305 . 1 1 31 31 LEU HG H 1 1.288 0.030 . 1 . . . . 31 LEU HG . 11236 1 306 . 1 1 31 31 LEU C C 13 172.471 0.300 . 1 . . . . 31 LEU C . 11236 1 307 . 1 1 31 31 LEU CA C 13 50.620 0.300 . 1 . . . . 31 LEU CA . 11236 1 308 . 1 1 31 31 LEU CB C 13 41.000 0.300 . 1 . . . . 31 LEU CB . 11236 1 309 . 1 1 31 31 LEU CD1 C 13 24.037 0.300 . 2 . . . . 31 LEU CD1 . 11236 1 310 . 1 1 31 31 LEU CD2 C 13 20.453 0.300 . 2 . . . . 31 LEU CD2 . 11236 1 311 . 1 1 31 31 LEU CG C 13 24.037 0.300 . 1 . . . . 31 LEU CG . 11236 1 312 . 1 1 31 31 LEU N N 15 126.955 0.300 . 1 . . . . 31 LEU N . 11236 1 313 . 1 1 32 32 GLN H H 1 8.036 0.030 . 1 . . . . 32 GLN H . 11236 1 314 . 1 1 32 32 GLN HA H 1 5.739 0.030 . 1 . . . . 32 GLN HA . 11236 1 315 . 1 1 32 32 GLN HB2 H 1 1.848 0.030 . 2 . . . . 32 GLN HB2 . 11236 1 316 . 1 1 32 32 GLN HB3 H 1 1.769 0.030 . 2 . . . . 32 GLN HB3 . 11236 1 317 . 1 1 32 32 GLN HE21 H 1 6.666 0.030 . 2 . . . . 32 GLN HE21 . 11236 1 318 . 1 1 32 32 GLN HE22 H 1 7.938 0.030 . 2 . . . . 32 GLN HE22 . 11236 1 319 . 1 1 32 32 GLN HG2 H 1 2.019 0.030 . 2 . . . . 32 GLN HG2 . 11236 1 320 . 1 1 32 32 GLN HG3 H 1 2.179 0.030 . 2 . . . . 32 GLN HG3 . 11236 1 321 . 1 1 32 32 GLN C C 13 171.635 0.300 . 1 . . . . 32 GLN C . 11236 1 322 . 1 1 32 32 GLN CA C 13 51.778 0.300 . 1 . . . . 32 GLN CA . 11236 1 323 . 1 1 32 32 GLN CB C 13 31.773 0.300 . 1 . . . . 32 GLN CB . 11236 1 324 . 1 1 32 32 GLN CG C 13 32.187 0.300 . 1 . . . . 32 GLN CG . 11236 1 325 . 1 1 32 32 GLN N N 15 119.371 0.300 . 1 . . . . 32 GLN N . 11236 1 326 . 1 1 32 32 GLN NE2 N 15 113.430 0.300 . 1 . . . . 32 GLN NE2 . 11236 1 327 . 1 1 33 33 CYS H H 1 9.177 0.030 . 1 . . . . 33 CYS H . 11236 1 328 . 1 1 33 33 CYS HA H 1 4.606 0.030 . 1 . . . . 33 CYS HA . 11236 1 329 . 1 1 33 33 CYS HB2 H 1 2.740 0.030 . 2 . . . . 33 CYS HB2 . 11236 1 330 . 1 1 33 33 CYS HB3 H 1 3.145 0.030 . 2 . . . . 33 CYS HB3 . 11236 1 331 . 1 1 33 33 CYS C C 13 169.275 0.300 . 1 . . . . 33 CYS C . 11236 1 332 . 1 1 33 33 CYS CA C 13 54.162 0.300 . 1 . . . . 33 CYS CA . 11236 1 333 . 1 1 33 33 CYS CB C 13 27.545 0.300 . 1 . . . . 33 CYS CB . 11236 1 334 . 1 1 33 33 CYS N N 15 119.312 0.300 . 1 . . . . 33 CYS N . 11236 1 335 . 1 1 34 34 SER H H 1 8.374 0.030 . 1 . . . . 34 SER H . 11236 1 336 . 1 1 34 34 SER HA H 1 5.726 0.030 . 1 . . . . 34 SER HA . 11236 1 337 . 1 1 34 34 SER HB2 H 1 3.749 0.030 . 1 . . . . 34 SER HB2 . 11236 1 338 . 1 1 34 34 SER HB3 H 1 3.749 0.030 . 1 . . . . 34 SER HB3 . 11236 1 339 . 1 1 34 34 SER C C 13 171.614 0.300 . 1 . . . . 34 SER C . 11236 1 340 . 1 1 34 34 SER CA C 13 55.094 0.300 . 1 . . . . 34 SER CA . 11236 1 341 . 1 1 34 34 SER CB C 13 62.689 0.300 . 1 . . . . 34 SER CB . 11236 1 342 . 1 1 34 34 SER N N 15 114.575 0.300 . 1 . . . . 34 SER N . 11236 1 343 . 1 1 35 35 VAL H H 1 9.283 0.030 . 1 . . . . 35 VAL H . 11236 1 344 . 1 1 35 35 VAL HA H 1 4.838 0.030 . 1 . . . . 35 VAL HA . 11236 1 345 . 1 1 35 35 VAL HB H 1 1.667 0.030 . 1 . . . . 35 VAL HB . 11236 1 346 . 1 1 35 35 VAL HG11 H 1 0.526 0.030 . 1 . . . . 35 VAL HG1 . 11236 1 347 . 1 1 35 35 VAL HG12 H 1 0.526 0.030 . 1 . . . . 35 VAL HG1 . 11236 1 348 . 1 1 35 35 VAL HG13 H 1 0.526 0.030 . 1 . . . . 35 VAL HG1 . 11236 1 349 . 1 1 35 35 VAL HG21 H 1 0.526 0.030 . 1 . . . . 35 VAL HG2 . 11236 1 350 . 1 1 35 35 VAL HG22 H 1 0.526 0.030 . 1 . . . . 35 VAL HG2 . 11236 1 351 . 1 1 35 35 VAL HG23 H 1 0.526 0.030 . 1 . . . . 35 VAL HG2 . 11236 1 352 . 1 1 35 35 VAL C C 13 171.830 0.300 . 1 . . . . 35 VAL C . 11236 1 353 . 1 1 35 35 VAL CA C 13 57.539 0.300 . 1 . . . . 35 VAL CA . 11236 1 354 . 1 1 35 35 VAL CB C 13 33.530 0.300 . 1 . . . . 35 VAL CB . 11236 1 355 . 1 1 35 35 VAL CG1 C 13 18.171 0.300 . 2 . . . . 35 VAL CG1 . 11236 1 356 . 1 1 35 35 VAL CG2 C 13 18.149 0.300 . 2 . . . . 35 VAL CG2 . 11236 1 357 . 1 1 35 35 VAL N N 15 124.054 0.300 . 1 . . . . 35 VAL N . 11236 1 358 . 1 1 36 36 ARG H H 1 8.729 0.030 . 1 . . . . 36 ARG H . 11236 1 359 . 1 1 36 36 ARG HA H 1 4.596 0.030 . 1 . . . . 36 ARG HA . 11236 1 360 . 1 1 36 36 ARG HB2 H 1 1.616 0.030 . 2 . . . . 36 ARG HB2 . 11236 1 361 . 1 1 36 36 ARG HB3 H 1 1.530 0.030 . 2 . . . . 36 ARG HB3 . 11236 1 362 . 1 1 36 36 ARG HD2 H 1 2.948 0.030 . 2 . . . . 36 ARG HD2 . 11236 1 363 . 1 1 36 36 ARG HD3 H 1 3.003 0.030 . 2 . . . . 36 ARG HD3 . 11236 1 364 . 1 1 36 36 ARG HG2 H 1 1.378 0.030 . 1 . . . . 36 ARG HG2 . 11236 1 365 . 1 1 36 36 ARG HG3 H 1 1.378 0.030 . 1 . . . . 36 ARG HG3 . 11236 1 366 . 1 1 36 36 ARG C C 13 172.055 0.300 . 1 . . . . 36 ARG C . 11236 1 367 . 1 1 36 36 ARG CA C 13 51.218 0.300 . 1 . . . . 36 ARG CA . 11236 1 368 . 1 1 36 36 ARG CB C 13 30.408 0.300 . 1 . . . . 36 ARG CB . 11236 1 369 . 1 1 36 36 ARG CD C 13 40.705 0.300 . 1 . . . . 36 ARG CD . 11236 1 370 . 1 1 36 36 ARG CG C 13 24.442 0.300 . 1 . . . . 36 ARG CG . 11236 1 371 . 1 1 36 36 ARG N N 15 125.122 0.300 . 1 . . . . 36 ARG N . 11236 1 372 . 1 1 37 37 GLY H H 1 7.576 0.030 . 1 . . . . 37 GLY H . 11236 1 373 . 1 1 37 37 GLY HA2 H 1 3.757 0.030 . 2 . . . . 37 GLY HA2 . 11236 1 374 . 1 1 37 37 GLY HA3 H 1 3.192 0.030 . 2 . . . . 37 GLY HA3 . 11236 1 375 . 1 1 37 37 GLY C C 13 168.827 0.300 . 1 . . . . 37 GLY C . 11236 1 376 . 1 1 37 37 GLY CA C 13 42.673 0.300 . 1 . . . . 37 GLY CA . 11236 1 377 . 1 1 37 37 GLY N N 15 106.228 0.300 . 1 . . . . 37 GLY N . 11236 1 378 . 1 1 38 38 THR H H 1 7.732 0.030 . 1 . . . . 38 THR H . 11236 1 379 . 1 1 38 38 THR HA H 1 4.196 0.030 . 1 . . . . 38 THR HA . 11236 1 380 . 1 1 38 38 THR HB H 1 3.957 0.030 . 1 . . . . 38 THR HB . 11236 1 381 . 1 1 38 38 THR HG21 H 1 1.035 0.030 . 1 . . . . 38 THR HG2 . 11236 1 382 . 1 1 38 38 THR HG22 H 1 1.035 0.030 . 1 . . . . 38 THR HG2 . 11236 1 383 . 1 1 38 38 THR HG23 H 1 1.035 0.030 . 1 . . . . 38 THR HG2 . 11236 1 384 . 1 1 38 38 THR C C 13 168.752 0.300 . 1 . . . . 38 THR C . 11236 1 385 . 1 1 38 38 THR CA C 13 57.670 0.300 . 1 . . . . 38 THR CA . 11236 1 386 . 1 1 38 38 THR CB C 13 70.239 0.300 . 1 . . . . 38 THR CB . 11236 1 387 . 1 1 38 38 THR CG2 C 13 18.867 0.300 . 1 . . . . 38 THR CG2 . 11236 1 388 . 1 1 38 38 THR N N 15 118.758 0.300 . 1 . . . . 38 THR N . 11236 1 389 . 1 1 39 39 PRO HA H 1 4.597 0.030 . 1 . . . . 39 PRO HA . 11236 1 390 . 1 1 39 39 PRO HB2 H 1 2.465 0.030 . 2 . . . . 39 PRO HB2 . 11236 1 391 . 1 1 39 39 PRO HB3 H 1 1.930 0.030 . 2 . . . . 39 PRO HB3 . 11236 1 392 . 1 1 39 39 PRO HD2 H 1 3.101 0.030 . 2 . . . . 39 PRO HD2 . 11236 1 393 . 1 1 39 39 PRO HD3 H 1 3.585 0.030 . 2 . . . . 39 PRO HD3 . 11236 1 394 . 1 1 39 39 PRO HG2 H 1 1.881 0.030 . 2 . . . . 39 PRO HG2 . 11236 1 395 . 1 1 39 39 PRO HG3 H 1 1.829 0.030 . 2 . . . . 39 PRO HG3 . 11236 1 396 . 1 1 39 39 PRO CA C 13 59.904 0.300 . 1 . . . . 39 PRO CA . 11236 1 397 . 1 1 39 39 PRO CB C 13 32.399 0.300 . 1 . . . . 39 PRO CB . 11236 1 398 . 1 1 39 39 PRO CD C 13 47.744 0.300 . 1 . . . . 39 PRO CD . 11236 1 399 . 1 1 39 39 PRO CG C 13 23.594 0.300 . 1 . . . . 39 PRO CG . 11236 1 400 . 1 1 40 40 VAL H H 1 8.241 0.030 . 1 . . . . 40 VAL H . 11236 1 401 . 1 1 40 40 VAL HA H 1 3.822 0.030 . 1 . . . . 40 VAL HA . 11236 1 402 . 1 1 40 40 VAL HB H 1 1.884 0.030 . 1 . . . . 40 VAL HB . 11236 1 403 . 1 1 40 40 VAL HG11 H 1 1.061 0.030 . 1 . . . . 40 VAL HG1 . 11236 1 404 . 1 1 40 40 VAL HG12 H 1 1.061 0.030 . 1 . . . . 40 VAL HG1 . 11236 1 405 . 1 1 40 40 VAL HG13 H 1 1.061 0.030 . 1 . . . . 40 VAL HG1 . 11236 1 406 . 1 1 40 40 VAL HG21 H 1 0.927 0.030 . 1 . . . . 40 VAL HG2 . 11236 1 407 . 1 1 40 40 VAL HG22 H 1 0.927 0.030 . 1 . . . . 40 VAL HG2 . 11236 1 408 . 1 1 40 40 VAL HG23 H 1 0.927 0.030 . 1 . . . . 40 VAL HG2 . 11236 1 409 . 1 1 40 40 VAL CA C 13 58.554 0.300 . 1 . . . . 40 VAL CA . 11236 1 410 . 1 1 40 40 VAL CB C 13 29.556 0.300 . 1 . . . . 40 VAL CB . 11236 1 411 . 1 1 40 40 VAL CG1 C 13 19.079 0.300 . 2 . . . . 40 VAL CG1 . 11236 1 412 . 1 1 40 40 VAL CG2 C 13 17.911 0.300 . 2 . . . . 40 VAL CG2 . 11236 1 413 . 1 1 40 40 VAL N N 15 122.259 0.300 . 1 . . . . 40 VAL N . 11236 1 414 . 1 1 41 41 PRO HA H 1 4.211 0.030 . 1 . . . . 41 PRO HA . 11236 1 415 . 1 1 41 41 PRO HB2 H 1 1.491 0.030 . 2 . . . . 41 PRO HB2 . 11236 1 416 . 1 1 41 41 PRO HB3 H 1 1.596 0.030 . 2 . . . . 41 PRO HB3 . 11236 1 417 . 1 1 41 41 PRO HD2 H 1 3.351 0.030 . 2 . . . . 41 PRO HD2 . 11236 1 418 . 1 1 41 41 PRO HD3 H 1 3.560 0.030 . 2 . . . . 41 PRO HD3 . 11236 1 419 . 1 1 41 41 PRO HG2 H 1 1.344 0.030 . 2 . . . . 41 PRO HG2 . 11236 1 420 . 1 1 41 41 PRO HG3 H 1 1.642 0.030 . 2 . . . . 41 PRO HG3 . 11236 1 421 . 1 1 41 41 PRO C C 13 172.915 0.300 . 1 . . . . 41 PRO C . 11236 1 422 . 1 1 41 41 PRO CA C 13 59.952 0.300 . 1 . . . . 41 PRO CA . 11236 1 423 . 1 1 41 41 PRO CB C 13 30.276 0.300 . 1 . . . . 41 PRO CB . 11236 1 424 . 1 1 41 41 PRO CD C 13 48.449 0.300 . 1 . . . . 41 PRO CD . 11236 1 425 . 1 1 41 41 PRO CG C 13 24.960 0.300 . 1 . . . . 41 PRO CG . 11236 1 426 . 1 1 42 42 ARG H H 1 8.779 0.030 . 1 . . . . 42 ARG H . 11236 1 427 . 1 1 42 42 ARG HA H 1 4.326 0.030 . 1 . . . . 42 ARG HA . 11236 1 428 . 1 1 42 42 ARG HB2 H 1 1.726 0.030 . 1 . . . . 42 ARG HB2 . 11236 1 429 . 1 1 42 42 ARG HB3 H 1 1.726 0.030 . 1 . . . . 42 ARG HB3 . 11236 1 430 . 1 1 42 42 ARG HD2 H 1 3.111 0.030 . 1 . . . . 42 ARG HD2 . 11236 1 431 . 1 1 42 42 ARG HD3 H 1 3.111 0.030 . 1 . . . . 42 ARG HD3 . 11236 1 432 . 1 1 42 42 ARG HG2 H 1 1.662 0.030 . 2 . . . . 42 ARG HG2 . 11236 1 433 . 1 1 42 42 ARG HG3 H 1 1.524 0.030 . 2 . . . . 42 ARG HG3 . 11236 1 434 . 1 1 42 42 ARG C C 13 173.734 0.300 . 1 . . . . 42 ARG C . 11236 1 435 . 1 1 42 42 ARG CA C 13 53.004 0.300 . 1 . . . . 42 ARG CA . 11236 1 436 . 1 1 42 42 ARG CB C 13 28.767 0.300 . 1 . . . . 42 ARG CB . 11236 1 437 . 1 1 42 42 ARG CD C 13 40.855 0.300 . 1 . . . . 42 ARG CD . 11236 1 438 . 1 1 42 42 ARG CG C 13 24.754 0.300 . 1 . . . . 42 ARG CG . 11236 1 439 . 1 1 42 42 ARG N N 15 121.634 0.300 . 1 . . . . 42 ARG N . 11236 1 440 . 1 1 43 43 ILE H H 1 8.546 0.030 . 1 . . . . 43 ILE H . 11236 1 441 . 1 1 43 43 ILE HA H 1 4.955 0.030 . 1 . . . . 43 ILE HA . 11236 1 442 . 1 1 43 43 ILE HB H 1 1.757 0.030 . 1 . . . . 43 ILE HB . 11236 1 443 . 1 1 43 43 ILE HD11 H 1 0.446 0.030 . 1 . . . . 43 ILE HD1 . 11236 1 444 . 1 1 43 43 ILE HD12 H 1 0.446 0.030 . 1 . . . . 43 ILE HD1 . 11236 1 445 . 1 1 43 43 ILE HD13 H 1 0.446 0.030 . 1 . . . . 43 ILE HD1 . 11236 1 446 . 1 1 43 43 ILE HG12 H 1 1.287 0.030 . 2 . . . . 43 ILE HG12 . 11236 1 447 . 1 1 43 43 ILE HG13 H 1 1.173 0.030 . 2 . . . . 43 ILE HG13 . 11236 1 448 . 1 1 43 43 ILE HG21 H 1 0.298 0.030 . 1 . . . . 43 ILE HG2 . 11236 1 449 . 1 1 43 43 ILE HG22 H 1 0.298 0.030 . 1 . . . . 43 ILE HG2 . 11236 1 450 . 1 1 43 43 ILE HG23 H 1 0.298 0.030 . 1 . . . . 43 ILE HG2 . 11236 1 451 . 1 1 43 43 ILE C C 13 173.842 0.300 . 1 . . . . 43 ILE C . 11236 1 452 . 1 1 43 43 ILE CA C 13 55.587 0.300 . 1 . . . . 43 ILE CA . 11236 1 453 . 1 1 43 43 ILE CB C 13 35.605 0.300 . 1 . . . . 43 ILE CB . 11236 1 454 . 1 1 43 43 ILE CD1 C 13 8.298 0.300 . 1 . . . . 43 ILE CD1 . 11236 1 455 . 1 1 43 43 ILE CG1 C 13 24.586 0.300 . 1 . . . . 43 ILE CG1 . 11236 1 456 . 1 1 43 43 ILE CG2 C 13 15.553 0.300 . 1 . . . . 43 ILE CG2 . 11236 1 457 . 1 1 43 43 ILE N N 15 127.495 0.300 . 1 . . . . 43 ILE N . 11236 1 458 . 1 1 44 44 THR H H 1 9.018 0.030 . 1 . . . . 44 THR H . 11236 1 459 . 1 1 44 44 THR HA H 1 4.431 0.030 . 1 . . . . 44 THR HA . 11236 1 460 . 1 1 44 44 THR HB H 1 3.782 0.030 . 1 . . . . 44 THR HB . 11236 1 461 . 1 1 44 44 THR HG21 H 1 1.095 0.030 . 1 . . . . 44 THR HG2 . 11236 1 462 . 1 1 44 44 THR HG22 H 1 1.095 0.030 . 1 . . . . 44 THR HG2 . 11236 1 463 . 1 1 44 44 THR HG23 H 1 1.095 0.030 . 1 . . . . 44 THR HG2 . 11236 1 464 . 1 1 44 44 THR C C 13 169.004 0.300 . 1 . . . . 44 THR C . 11236 1 465 . 1 1 44 44 THR CA C 13 59.477 0.300 . 1 . . . . 44 THR CA . 11236 1 466 . 1 1 44 44 THR CB C 13 68.962 0.300 . 1 . . . . 44 THR CB . 11236 1 467 . 1 1 44 44 THR CG2 C 13 18.231 0.300 . 1 . . . . 44 THR CG2 . 11236 1 468 . 1 1 44 44 THR N N 15 125.171 0.300 . 1 . . . . 44 THR N . 11236 1 469 . 1 1 45 45 TRP H H 1 8.625 0.030 . 1 . . . . 45 TRP H . 11236 1 470 . 1 1 45 45 TRP HA H 1 5.468 0.030 . 1 . . . . 45 TRP HA . 11236 1 471 . 1 1 45 45 TRP HB2 H 1 3.025 0.030 . 2 . . . . 45 TRP HB2 . 11236 1 472 . 1 1 45 45 TRP HB3 H 1 2.835 0.030 . 2 . . . . 45 TRP HB3 . 11236 1 473 . 1 1 45 45 TRP HD1 H 1 7.117 0.030 . 1 . . . . 45 TRP HD1 . 11236 1 474 . 1 1 45 45 TRP HE1 H 1 10.406 0.030 . 1 . . . . 45 TRP HE1 . 11236 1 475 . 1 1 45 45 TRP HE3 H 1 7.300 0.030 . 1 . . . . 45 TRP HE3 . 11236 1 476 . 1 1 45 45 TRP HH2 H 1 6.697 0.030 . 1 . . . . 45 TRP HH2 . 11236 1 477 . 1 1 45 45 TRP HZ2 H 1 6.884 0.030 . 1 . . . . 45 TRP HZ2 . 11236 1 478 . 1 1 45 45 TRP HZ3 H 1 6.726 0.030 . 1 . . . . 45 TRP HZ3 . 11236 1 479 . 1 1 45 45 TRP C C 13 173.182 0.300 . 1 . . . . 45 TRP C . 11236 1 480 . 1 1 45 45 TRP CA C 13 53.180 0.300 . 1 . . . . 45 TRP CA . 11236 1 481 . 1 1 45 45 TRP CB C 13 29.104 0.300 . 1 . . . . 45 TRP CB . 11236 1 482 . 1 1 45 45 TRP CD1 C 13 124.302 0.300 . 1 . . . . 45 TRP CD1 . 11236 1 483 . 1 1 45 45 TRP CE3 C 13 117.245 0.300 . 1 . . . . 45 TRP CE3 . 11236 1 484 . 1 1 45 45 TRP CH2 C 13 121.175 0.300 . 1 . . . . 45 TRP CH2 . 11236 1 485 . 1 1 45 45 TRP CZ2 C 13 112.198 0.300 . 1 . . . . 45 TRP CZ2 . 11236 1 486 . 1 1 45 45 TRP CZ3 C 13 118.242 0.300 . 1 . . . . 45 TRP CZ3 . 11236 1 487 . 1 1 45 45 TRP N N 15 125.158 0.300 . 1 . . . . 45 TRP N . 11236 1 488 . 1 1 45 45 TRP NE1 N 15 130.624 0.300 . 1 . . . . 45 TRP NE1 . 11236 1 489 . 1 1 46 46 LEU H H 1 9.375 0.030 . 1 . . . . 46 LEU H . 11236 1 490 . 1 1 46 46 LEU HA H 1 4.976 0.030 . 1 . . . . 46 LEU HA . 11236 1 491 . 1 1 46 46 LEU HB2 H 1 1.435 0.030 . 2 . . . . 46 LEU HB2 . 11236 1 492 . 1 1 46 46 LEU HB3 H 1 0.882 0.030 . 2 . . . . 46 LEU HB3 . 11236 1 493 . 1 1 46 46 LEU HD11 H 1 0.559 0.030 . 1 . . . . 46 LEU HD1 . 11236 1 494 . 1 1 46 46 LEU HD12 H 1 0.559 0.030 . 1 . . . . 46 LEU HD1 . 11236 1 495 . 1 1 46 46 LEU HD13 H 1 0.559 0.030 . 1 . . . . 46 LEU HD1 . 11236 1 496 . 1 1 46 46 LEU HD21 H 1 0.434 0.030 . 1 . . . . 46 LEU HD2 . 11236 1 497 . 1 1 46 46 LEU HD22 H 1 0.434 0.030 . 1 . . . . 46 LEU HD2 . 11236 1 498 . 1 1 46 46 LEU HD23 H 1 0.434 0.030 . 1 . . . . 46 LEU HD2 . 11236 1 499 . 1 1 46 46 LEU HG H 1 1.204 0.030 . 1 . . . . 46 LEU HG . 11236 1 500 . 1 1 46 46 LEU C C 13 172.344 0.300 . 1 . . . . 46 LEU C . 11236 1 501 . 1 1 46 46 LEU CA C 13 50.994 0.300 . 1 . . . . 46 LEU CA . 11236 1 502 . 1 1 46 46 LEU CB C 13 42.539 0.300 . 1 . . . . 46 LEU CB . 11236 1 503 . 1 1 46 46 LEU CD1 C 13 23.167 0.300 . 2 . . . . 46 LEU CD1 . 11236 1 504 . 1 1 46 46 LEU CD2 C 13 21.559 0.300 . 2 . . . . 46 LEU CD2 . 11236 1 505 . 1 1 46 46 LEU CG C 13 24.853 0.300 . 1 . . . . 46 LEU CG . 11236 1 506 . 1 1 46 46 LEU N N 15 121.428 0.300 . 1 . . . . 46 LEU N . 11236 1 507 . 1 1 47 47 LEU H H 1 8.502 0.030 . 1 . . . . 47 LEU H . 11236 1 508 . 1 1 47 47 LEU HA H 1 4.570 0.030 . 1 . . . . 47 LEU HA . 11236 1 509 . 1 1 47 47 LEU HB2 H 1 1.458 0.030 . 2 . . . . 47 LEU HB2 . 11236 1 510 . 1 1 47 47 LEU HB3 H 1 0.705 0.030 . 2 . . . . 47 LEU HB3 . 11236 1 511 . 1 1 47 47 LEU HD11 H 1 0.650 0.030 . 1 . . . . 47 LEU HD1 . 11236 1 512 . 1 1 47 47 LEU HD12 H 1 0.650 0.030 . 1 . . . . 47 LEU HD1 . 11236 1 513 . 1 1 47 47 LEU HD13 H 1 0.650 0.030 . 1 . . . . 47 LEU HD1 . 11236 1 514 . 1 1 47 47 LEU HD21 H 1 -0.379 0.030 . 1 . . . . 47 LEU HD2 . 11236 1 515 . 1 1 47 47 LEU HD22 H 1 -0.379 0.030 . 1 . . . . 47 LEU HD2 . 11236 1 516 . 1 1 47 47 LEU HD23 H 1 -0.379 0.030 . 1 . . . . 47 LEU HD2 . 11236 1 517 . 1 1 47 47 LEU HG H 1 0.901 0.030 . 1 . . . . 47 LEU HG . 11236 1 518 . 1 1 47 47 LEU C C 13 174.542 0.300 . 1 . . . . 47 LEU C . 11236 1 519 . 1 1 47 47 LEU CA C 13 50.643 0.300 . 1 . . . . 47 LEU CA . 11236 1 520 . 1 1 47 47 LEU CB C 13 40.539 0.300 . 1 . . . . 47 LEU CB . 11236 1 521 . 1 1 47 47 LEU CD1 C 13 23.128 0.300 . 2 . . . . 47 LEU CD1 . 11236 1 522 . 1 1 47 47 LEU CD2 C 13 18.201 0.300 . 2 . . . . 47 LEU CD2 . 11236 1 523 . 1 1 47 47 LEU CG C 13 24.745 0.300 . 1 . . . . 47 LEU CG . 11236 1 524 . 1 1 47 47 LEU N N 15 120.024 0.300 . 1 . . . . 47 LEU N . 11236 1 525 . 1 1 48 48 ASN H H 1 9.719 0.030 . 1 . . . . 48 ASN H . 11236 1 526 . 1 1 48 48 ASN HA H 1 4.154 0.030 . 1 . . . . 48 ASN HA . 11236 1 527 . 1 1 48 48 ASN HB2 H 1 2.789 0.030 . 2 . . . . 48 ASN HB2 . 11236 1 528 . 1 1 48 48 ASN HB3 H 1 2.860 0.030 . 2 . . . . 48 ASN HB3 . 11236 1 529 . 1 1 48 48 ASN HD21 H 1 6.724 0.030 . 2 . . . . 48 ASN HD21 . 11236 1 530 . 1 1 48 48 ASN HD22 H 1 7.734 0.030 . 2 . . . . 48 ASN HD22 . 11236 1 531 . 1 1 48 48 ASN C C 13 173.162 0.300 . 1 . . . . 48 ASN C . 11236 1 532 . 1 1 48 48 ASN CA C 13 51.393 0.300 . 1 . . . . 48 ASN CA . 11236 1 533 . 1 1 48 48 ASN CB C 13 34.280 0.300 . 1 . . . . 48 ASN CB . 11236 1 534 . 1 1 48 48 ASN N N 15 127.121 0.300 . 1 . . . . 48 ASN N . 11236 1 535 . 1 1 48 48 ASN ND2 N 15 115.632 0.300 . 1 . . . . 48 ASN ND2 . 11236 1 536 . 1 1 49 49 GLY H H 1 8.350 0.030 . 1 . . . . 49 GLY H . 11236 1 537 . 1 1 49 49 GLY HA2 H 1 3.250 0.030 . 2 . . . . 49 GLY HA2 . 11236 1 538 . 1 1 49 49 GLY HA3 H 1 4.046 0.030 . 2 . . . . 49 GLY HA3 . 11236 1 539 . 1 1 49 49 GLY C C 13 170.619 0.300 . 1 . . . . 49 GLY C . 11236 1 540 . 1 1 49 49 GLY CA C 13 42.814 0.300 . 1 . . . . 49 GLY CA . 11236 1 541 . 1 1 49 49 GLY N N 15 101.381 0.300 . 1 . . . . 49 GLY N . 11236 1 542 . 1 1 50 50 GLN H H 1 7.704 0.030 . 1 . . . . 50 GLN H . 11236 1 543 . 1 1 50 50 GLN HA H 1 4.894 0.030 . 1 . . . . 50 GLN HA . 11236 1 544 . 1 1 50 50 GLN HB2 H 1 1.898 0.030 . 2 . . . . 50 GLN HB2 . 11236 1 545 . 1 1 50 50 GLN HB3 H 1 2.078 0.030 . 2 . . . . 50 GLN HB3 . 11236 1 546 . 1 1 50 50 GLN HE21 H 1 7.467 0.030 . 2 . . . . 50 GLN HE21 . 11236 1 547 . 1 1 50 50 GLN HE22 H 1 6.784 0.030 . 2 . . . . 50 GLN HE22 . 11236 1 548 . 1 1 50 50 GLN HG2 H 1 2.230 0.030 . 2 . . . . 50 GLN HG2 . 11236 1 549 . 1 1 50 50 GLN HG3 H 1 2.341 0.030 . 2 . . . . 50 GLN HG3 . 11236 1 550 . 1 1 50 50 GLN C C 13 170.651 0.300 . 1 . . . . 50 GLN C . 11236 1 551 . 1 1 50 50 GLN CA C 13 49.311 0.300 . 1 . . . . 50 GLN CA . 11236 1 552 . 1 1 50 50 GLN CB C 13 27.504 0.300 . 1 . . . . 50 GLN CB . 11236 1 553 . 1 1 50 50 GLN CG C 13 30.404 0.300 . 1 . . . . 50 GLN CG . 11236 1 554 . 1 1 50 50 GLN N N 15 120.089 0.300 . 1 . . . . 50 GLN N . 11236 1 555 . 1 1 50 50 GLN NE2 N 15 112.375 0.300 . 1 . . . . 50 GLN NE2 . 11236 1 556 . 1 1 51 51 PRO HA H 1 4.536 0.030 . 1 . . . . 51 PRO HA . 11236 1 557 . 1 1 51 51 PRO HB2 H 1 2.103 0.030 . 2 . . . . 51 PRO HB2 . 11236 1 558 . 1 1 51 51 PRO HB3 H 1 1.754 0.030 . 2 . . . . 51 PRO HB3 . 11236 1 559 . 1 1 51 51 PRO HD2 H 1 3.626 0.030 . 2 . . . . 51 PRO HD2 . 11236 1 560 . 1 1 51 51 PRO HD3 H 1 3.748 0.030 . 2 . . . . 51 PRO HD3 . 11236 1 561 . 1 1 51 51 PRO HG2 H 1 2.052 0.030 . 2 . . . . 51 PRO HG2 . 11236 1 562 . 1 1 51 51 PRO HG3 H 1 1.786 0.030 . 2 . . . . 51 PRO HG3 . 11236 1 563 . 1 1 51 51 PRO C C 13 174.119 0.300 . 1 . . . . 51 PRO C . 11236 1 564 . 1 1 51 51 PRO CA C 13 60.841 0.300 . 1 . . . . 51 PRO CA . 11236 1 565 . 1 1 51 51 PRO CB C 13 29.368 0.300 . 1 . . . . 51 PRO CB . 11236 1 566 . 1 1 51 51 PRO CD C 13 48.178 0.300 . 1 . . . . 51 PRO CD . 11236 1 567 . 1 1 51 51 PRO CG C 13 25.129 0.300 . 1 . . . . 51 PRO CG . 11236 1 568 . 1 1 52 52 ILE H H 1 8.439 0.030 . 1 . . . . 52 ILE H . 11236 1 569 . 1 1 52 52 ILE HA H 1 3.982 0.030 . 1 . . . . 52 ILE HA . 11236 1 570 . 1 1 52 52 ILE HB H 1 1.554 0.030 . 1 . . . . 52 ILE HB . 11236 1 571 . 1 1 52 52 ILE HD11 H 1 0.816 0.030 . 1 . . . . 52 ILE HD1 . 11236 1 572 . 1 1 52 52 ILE HD12 H 1 0.816 0.030 . 1 . . . . 52 ILE HD1 . 11236 1 573 . 1 1 52 52 ILE HD13 H 1 0.816 0.030 . 1 . . . . 52 ILE HD1 . 11236 1 574 . 1 1 52 52 ILE HG12 H 1 0.927 0.030 . 2 . . . . 52 ILE HG12 . 11236 1 575 . 1 1 52 52 ILE HG13 H 1 1.522 0.030 . 2 . . . . 52 ILE HG13 . 11236 1 576 . 1 1 52 52 ILE HG21 H 1 0.679 0.030 . 1 . . . . 52 ILE HG2 . 11236 1 577 . 1 1 52 52 ILE HG22 H 1 0.679 0.030 . 1 . . . . 52 ILE HG2 . 11236 1 578 . 1 1 52 52 ILE HG23 H 1 0.679 0.030 . 1 . . . . 52 ILE HG2 . 11236 1 579 . 1 1 52 52 ILE C C 13 174.121 0.300 . 1 . . . . 52 ILE C . 11236 1 580 . 1 1 52 52 ILE CA C 13 58.779 0.300 . 1 . . . . 52 ILE CA . 11236 1 581 . 1 1 52 52 ILE CB C 13 36.539 0.300 . 1 . . . . 52 ILE CB . 11236 1 582 . 1 1 52 52 ILE CD1 C 13 12.295 0.300 . 1 . . . . 52 ILE CD1 . 11236 1 583 . 1 1 52 52 ILE CG1 C 13 25.426 0.300 . 1 . . . . 52 ILE CG1 . 11236 1 584 . 1 1 52 52 ILE CG2 C 13 15.172 0.300 . 1 . . . . 52 ILE CG2 . 11236 1 585 . 1 1 52 52 ILE N N 15 124.578 0.300 . 1 . . . . 52 ILE N . 11236 1 586 . 1 1 53 53 GLN H H 1 8.712 0.030 . 1 . . . . 53 GLN H . 11236 1 587 . 1 1 53 53 GLN HA H 1 4.125 0.030 . 1 . . . . 53 GLN HA . 11236 1 588 . 1 1 53 53 GLN HB2 H 1 1.718 0.030 . 1 . . . . 53 GLN HB2 . 11236 1 589 . 1 1 53 53 GLN HB3 H 1 1.718 0.030 . 1 . . . . 53 GLN HB3 . 11236 1 590 . 1 1 53 53 GLN HE21 H 1 7.282 0.030 . 2 . . . . 53 GLN HE21 . 11236 1 591 . 1 1 53 53 GLN HE22 H 1 6.748 0.030 . 2 . . . . 53 GLN HE22 . 11236 1 592 . 1 1 53 53 GLN HG2 H 1 1.960 0.030 . 2 . . . . 53 GLN HG2 . 11236 1 593 . 1 1 53 53 GLN HG3 H 1 2.117 0.030 . 2 . . . . 53 GLN HG3 . 11236 1 594 . 1 1 53 53 GLN C C 13 173.382 0.300 . 1 . . . . 53 GLN C . 11236 1 595 . 1 1 53 53 GLN CA C 13 54.370 0.300 . 1 . . . . 53 GLN CA . 11236 1 596 . 1 1 53 53 GLN CB C 13 26.769 0.300 . 1 . . . . 53 GLN CB . 11236 1 597 . 1 1 53 53 GLN CG C 13 31.086 0.300 . 1 . . . . 53 GLN CG . 11236 1 598 . 1 1 53 53 GLN N N 15 127.131 0.300 . 1 . . . . 53 GLN N . 11236 1 599 . 1 1 53 53 GLN NE2 N 15 111.698 0.300 . 1 . . . . 53 GLN NE2 . 11236 1 600 . 1 1 54 54 TYR H H 1 7.988 0.030 . 1 . . . . 54 TYR H . 11236 1 601 . 1 1 54 54 TYR HA H 1 4.506 0.030 . 1 . . . . 54 TYR HA . 11236 1 602 . 1 1 54 54 TYR HB2 H 1 3.007 0.030 . 1 . . . . 54 TYR HB2 . 11236 1 603 . 1 1 54 54 TYR HB3 H 1 3.007 0.030 . 1 . . . . 54 TYR HB3 . 11236 1 604 . 1 1 54 54 TYR HD1 H 1 7.046 0.030 . 1 . . . . 54 TYR HD1 . 11236 1 605 . 1 1 54 54 TYR HD2 H 1 7.046 0.030 . 1 . . . . 54 TYR HD2 . 11236 1 606 . 1 1 54 54 TYR HE1 H 1 6.776 0.030 . 1 . . . . 54 TYR HE1 . 11236 1 607 . 1 1 54 54 TYR HE2 H 1 6.776 0.030 . 1 . . . . 54 TYR HE2 . 11236 1 608 . 1 1 54 54 TYR C C 13 172.549 0.300 . 1 . . . . 54 TYR C . 11236 1 609 . 1 1 54 54 TYR CA C 13 54.437 0.300 . 1 . . . . 54 TYR CA . 11236 1 610 . 1 1 54 54 TYR CB C 13 34.422 0.300 . 1 . . . . 54 TYR CB . 11236 1 611 . 1 1 54 54 TYR CD1 C 13 130.763 0.300 . 1 . . . . 54 TYR CD1 . 11236 1 612 . 1 1 54 54 TYR CD2 C 13 130.763 0.300 . 1 . . . . 54 TYR CD2 . 11236 1 613 . 1 1 54 54 TYR CE1 C 13 115.746 0.300 . 1 . . . . 54 TYR CE1 . 11236 1 614 . 1 1 54 54 TYR CE2 C 13 115.746 0.300 . 1 . . . . 54 TYR CE2 . 11236 1 615 . 1 1 54 54 TYR N N 15 117.643 0.300 . 1 . . . . 54 TYR N . 11236 1 616 . 1 1 55 55 ALA H H 1 7.460 0.030 . 1 . . . . 55 ALA H . 11236 1 617 . 1 1 55 55 ALA HA H 1 4.164 0.030 . 1 . . . . 55 ALA HA . 11236 1 618 . 1 1 55 55 ALA HB1 H 1 1.173 0.030 . 1 . . . . 55 ALA HB . 11236 1 619 . 1 1 55 55 ALA HB2 H 1 1.173 0.030 . 1 . . . . 55 ALA HB . 11236 1 620 . 1 1 55 55 ALA HB3 H 1 1.173 0.030 . 1 . . . . 55 ALA HB . 11236 1 621 . 1 1 55 55 ALA C C 13 174.508 0.300 . 1 . . . . 55 ALA C . 11236 1 622 . 1 1 55 55 ALA CA C 13 49.428 0.300 . 1 . . . . 55 ALA CA . 11236 1 623 . 1 1 55 55 ALA CB C 13 17.386 0.300 . 1 . . . . 55 ALA CB . 11236 1 624 . 1 1 55 55 ALA N N 15 122.998 0.300 . 1 . . . . 55 ALA N . 11236 1 625 . 1 1 56 56 ARG H H 1 8.519 0.030 . 1 . . . . 56 ARG H . 11236 1 626 . 1 1 56 56 ARG HA H 1 4.391 0.030 . 1 . . . . 56 ARG HA . 11236 1 627 . 1 1 56 56 ARG HB2 H 1 1.816 0.030 . 1 . . . . 56 ARG HB2 . 11236 1 628 . 1 1 56 56 ARG HB3 H 1 1.816 0.030 . 1 . . . . 56 ARG HB3 . 11236 1 629 . 1 1 56 56 ARG HD2 H 1 3.030 0.030 . 1 . . . . 56 ARG HD2 . 11236 1 630 . 1 1 56 56 ARG HD3 H 1 3.030 0.030 . 1 . . . . 56 ARG HD3 . 11236 1 631 . 1 1 56 56 ARG HG2 H 1 1.417 0.030 . 2 . . . . 56 ARG HG2 . 11236 1 632 . 1 1 56 56 ARG HG3 H 1 1.575 0.030 . 2 . . . . 56 ARG HG3 . 11236 1 633 . 1 1 56 56 ARG C C 13 172.073 0.300 . 1 . . . . 56 ARG C . 11236 1 634 . 1 1 56 56 ARG CA C 13 53.090 0.300 . 1 . . . . 56 ARG CA . 11236 1 635 . 1 1 56 56 ARG CB C 13 27.162 0.300 . 1 . . . . 56 ARG CB . 11236 1 636 . 1 1 56 56 ARG CD C 13 40.758 0.300 . 1 . . . . 56 ARG CD . 11236 1 637 . 1 1 56 56 ARG CG C 13 24.788 0.300 . 1 . . . . 56 ARG CG . 11236 1 638 . 1 1 56 56 ARG N N 15 123.540 0.300 . 1 . . . . 56 ARG N . 11236 1 639 . 1 1 57 57 SER H H 1 8.134 0.030 . 1 . . . . 57 SER H . 11236 1 640 . 1 1 57 57 SER HA H 1 5.423 0.030 . 1 . . . . 57 SER HA . 11236 1 641 . 1 1 57 57 SER HB2 H 1 4.140 0.030 . 2 . . . . 57 SER HB2 . 11236 1 642 . 1 1 57 57 SER HB3 H 1 3.552 0.030 . 2 . . . . 57 SER HB3 . 11236 1 643 . 1 1 57 57 SER C C 13 171.821 0.300 . 1 . . . . 57 SER C . 11236 1 644 . 1 1 57 57 SER CA C 13 53.365 0.300 . 1 . . . . 57 SER CA . 11236 1 645 . 1 1 57 57 SER CB C 13 63.680 0.300 . 1 . . . . 57 SER CB . 11236 1 646 . 1 1 57 57 SER N N 15 118.486 0.300 . 1 . . . . 57 SER N . 11236 1 647 . 1 1 58 58 THR H H 1 8.794 0.030 . 1 . . . . 58 THR H . 11236 1 648 . 1 1 58 58 THR HA H 1 4.685 0.030 . 1 . . . . 58 THR HA . 11236 1 649 . 1 1 58 58 THR HB H 1 4.229 0.030 . 1 . . . . 58 THR HB . 11236 1 650 . 1 1 58 58 THR HG21 H 1 1.055 0.030 . 1 . . . . 58 THR HG2 . 11236 1 651 . 1 1 58 58 THR HG22 H 1 1.055 0.030 . 1 . . . . 58 THR HG2 . 11236 1 652 . 1 1 58 58 THR HG23 H 1 1.055 0.030 . 1 . . . . 58 THR HG2 . 11236 1 653 . 1 1 58 58 THR C C 13 172.177 0.300 . 1 . . . . 58 THR C . 11236 1 654 . 1 1 58 58 THR CA C 13 57.681 0.300 . 1 . . . . 58 THR CA . 11236 1 655 . 1 1 58 58 THR CB C 13 69.647 0.300 . 1 . . . . 58 THR CB . 11236 1 656 . 1 1 58 58 THR CG2 C 13 19.122 0.300 . 1 . . . . 58 THR CG2 . 11236 1 657 . 1 1 58 58 THR N N 15 113.582 0.300 . 1 . . . . 58 THR N . 11236 1 658 . 1 1 59 59 CYS H H 1 8.970 0.030 . 1 . . . . 59 CYS H . 11236 1 659 . 1 1 59 59 CYS HA H 1 5.272 0.030 . 1 . . . . 59 CYS HA . 11236 1 660 . 1 1 59 59 CYS HB2 H 1 2.810 0.030 . 2 . . . . 59 CYS HB2 . 11236 1 661 . 1 1 59 59 CYS HB3 H 1 2.696 0.030 . 2 . . . . 59 CYS HB3 . 11236 1 662 . 1 1 59 59 CYS C C 13 170.780 0.300 . 1 . . . . 59 CYS C . 11236 1 663 . 1 1 59 59 CYS CA C 13 55.827 0.300 . 1 . . . . 59 CYS CA . 11236 1 664 . 1 1 59 59 CYS CB C 13 24.418 0.300 . 1 . . . . 59 CYS CB . 11236 1 665 . 1 1 59 59 CYS N N 15 123.404 0.300 . 1 . . . . 59 CYS N . 11236 1 666 . 1 1 60 60 GLU H H 1 8.313 0.030 . 1 . . . . 60 GLU H . 11236 1 667 . 1 1 60 60 GLU HA H 1 4.535 0.030 . 1 . . . . 60 GLU HA . 11236 1 668 . 1 1 60 60 GLU HB2 H 1 1.904 0.030 . 1 . . . . 60 GLU HB2 . 11236 1 669 . 1 1 60 60 GLU HB3 H 1 1.904 0.030 . 1 . . . . 60 GLU HB3 . 11236 1 670 . 1 1 60 60 GLU HG2 H 1 2.192 0.030 . 1 . . . . 60 GLU HG2 . 11236 1 671 . 1 1 60 60 GLU HG3 H 1 2.192 0.030 . 1 . . . . 60 GLU HG3 . 11236 1 672 . 1 1 60 60 GLU C C 13 173.672 0.300 . 1 . . . . 60 GLU C . 11236 1 673 . 1 1 60 60 GLU CA C 13 52.980 0.300 . 1 . . . . 60 GLU CA . 11236 1 674 . 1 1 60 60 GLU CB C 13 28.996 0.300 . 1 . . . . 60 GLU CB . 11236 1 675 . 1 1 60 60 GLU CG C 13 33.107 0.300 . 1 . . . . 60 GLU CG . 11236 1 676 . 1 1 60 60 GLU N N 15 127.393 0.300 . 1 . . . . 60 GLU N . 11236 1 677 . 1 1 61 61 ALA H H 1 9.321 0.030 . 1 . . . . 61 ALA H . 11236 1 678 . 1 1 61 61 ALA HA H 1 4.034 0.030 . 1 . . . . 61 ALA HA . 11236 1 679 . 1 1 61 61 ALA HB1 H 1 1.372 0.030 . 1 . . . . 61 ALA HB . 11236 1 680 . 1 1 61 61 ALA HB2 H 1 1.372 0.030 . 1 . . . . 61 ALA HB . 11236 1 681 . 1 1 61 61 ALA HB3 H 1 1.372 0.030 . 1 . . . . 61 ALA HB . 11236 1 682 . 1 1 61 61 ALA C C 13 174.441 0.300 . 1 . . . . 61 ALA C . 11236 1 683 . 1 1 61 61 ALA CA C 13 50.429 0.300 . 1 . . . . 61 ALA CA . 11236 1 684 . 1 1 61 61 ALA CB C 13 14.626 0.300 . 1 . . . . 61 ALA CB . 11236 1 685 . 1 1 61 61 ALA N N 15 130.151 0.300 . 1 . . . . 61 ALA N . 11236 1 686 . 1 1 62 62 GLY H H 1 8.236 0.030 . 1 . . . . 62 GLY H . 11236 1 687 . 1 1 62 62 GLY HA2 H 1 3.519 0.030 . 2 . . . . 62 GLY HA2 . 11236 1 688 . 1 1 62 62 GLY HA3 H 1 4.151 0.030 . 2 . . . . 62 GLY HA3 . 11236 1 689 . 1 1 62 62 GLY C C 13 170.146 0.300 . 1 . . . . 62 GLY C . 11236 1 690 . 1 1 62 62 GLY CA C 13 42.997 0.300 . 1 . . . . 62 GLY CA . 11236 1 691 . 1 1 62 62 GLY N N 15 104.263 0.300 . 1 . . . . 62 GLY N . 11236 1 692 . 1 1 63 63 VAL H H 1 7.735 0.030 . 1 . . . . 63 VAL H . 11236 1 693 . 1 1 63 63 VAL HA H 1 4.356 0.030 . 1 . . . . 63 VAL HA . 11236 1 694 . 1 1 63 63 VAL HB H 1 2.137 0.030 . 1 . . . . 63 VAL HB . 11236 1 695 . 1 1 63 63 VAL HG11 H 1 0.841 0.030 . 1 . . . . 63 VAL HG1 . 11236 1 696 . 1 1 63 63 VAL HG12 H 1 0.841 0.030 . 1 . . . . 63 VAL HG1 . 11236 1 697 . 1 1 63 63 VAL HG13 H 1 0.841 0.030 . 1 . . . . 63 VAL HG1 . 11236 1 698 . 1 1 63 63 VAL HG21 H 1 0.789 0.030 . 1 . . . . 63 VAL HG2 . 11236 1 699 . 1 1 63 63 VAL HG22 H 1 0.789 0.030 . 1 . . . . 63 VAL HG2 . 11236 1 700 . 1 1 63 63 VAL HG23 H 1 0.789 0.030 . 1 . . . . 63 VAL HG2 . 11236 1 701 . 1 1 63 63 VAL C C 13 172.055 0.300 . 1 . . . . 63 VAL C . 11236 1 702 . 1 1 63 63 VAL CA C 13 59.938 0.300 . 1 . . . . 63 VAL CA . 11236 1 703 . 1 1 63 63 VAL CB C 13 29.491 0.300 . 1 . . . . 63 VAL CB . 11236 1 704 . 1 1 63 63 VAL CG1 C 13 18.373 0.300 . 2 . . . . 63 VAL CG1 . 11236 1 705 . 1 1 63 63 VAL CG2 C 13 18.745 0.300 . 2 . . . . 63 VAL CG2 . 11236 1 706 . 1 1 63 63 VAL N N 15 121.065 0.300 . 1 . . . . 63 VAL N . 11236 1 707 . 1 1 64 64 ALA H H 1 9.168 0.030 . 1 . . . . 64 ALA H . 11236 1 708 . 1 1 64 64 ALA HA H 1 5.144 0.030 . 1 . . . . 64 ALA HA . 11236 1 709 . 1 1 64 64 ALA HB1 H 1 1.456 0.030 . 1 . . . . 64 ALA HB . 11236 1 710 . 1 1 64 64 ALA HB2 H 1 1.456 0.030 . 1 . . . . 64 ALA HB . 11236 1 711 . 1 1 64 64 ALA HB3 H 1 1.456 0.030 . 1 . . . . 64 ALA HB . 11236 1 712 . 1 1 64 64 ALA C C 13 173.016 0.300 . 1 . . . . 64 ALA C . 11236 1 713 . 1 1 64 64 ALA CA C 13 48.477 0.300 . 1 . . . . 64 ALA CA . 11236 1 714 . 1 1 64 64 ALA CB C 13 17.986 0.300 . 1 . . . . 64 ALA CB . 11236 1 715 . 1 1 64 64 ALA N N 15 134.960 0.300 . 1 . . . . 64 ALA N . 11236 1 716 . 1 1 65 65 GLU H H 1 8.694 0.030 . 1 . . . . 65 GLU H . 11236 1 717 . 1 1 65 65 GLU HA H 1 5.543 0.030 . 1 . . . . 65 GLU HA . 11236 1 718 . 1 1 65 65 GLU HB2 H 1 1.858 0.030 . 2 . . . . 65 GLU HB2 . 11236 1 719 . 1 1 65 65 GLU HB3 H 1 1.512 0.030 . 2 . . . . 65 GLU HB3 . 11236 1 720 . 1 1 65 65 GLU HG2 H 1 1.892 0.030 . 2 . . . . 65 GLU HG2 . 11236 1 721 . 1 1 65 65 GLU HG3 H 1 2.140 0.030 . 2 . . . . 65 GLU HG3 . 11236 1 722 . 1 1 65 65 GLU C C 13 171.540 0.300 . 1 . . . . 65 GLU C . 11236 1 723 . 1 1 65 65 GLU CA C 13 51.561 0.300 . 1 . . . . 65 GLU CA . 11236 1 724 . 1 1 65 65 GLU CB C 13 32.272 0.300 . 1 . . . . 65 GLU CB . 11236 1 725 . 1 1 65 65 GLU CG C 13 35.018 0.300 . 1 . . . . 65 GLU CG . 11236 1 726 . 1 1 65 65 GLU N N 15 120.496 0.300 . 1 . . . . 65 GLU N . 11236 1 727 . 1 1 66 66 LEU H H 1 8.129 0.030 . 1 . . . . 66 LEU H . 11236 1 728 . 1 1 66 66 LEU HA H 1 4.037 0.030 . 1 . . . . 66 LEU HA . 11236 1 729 . 1 1 66 66 LEU HB2 H 1 0.279 0.030 . 2 . . . . 66 LEU HB2 . 11236 1 730 . 1 1 66 66 LEU HB3 H 1 -1.452 0.030 . 2 . . . . 66 LEU HB3 . 11236 1 731 . 1 1 66 66 LEU HD11 H 1 0.278 0.030 . 1 . . . . 66 LEU HD1 . 11236 1 732 . 1 1 66 66 LEU HD12 H 1 0.278 0.030 . 1 . . . . 66 LEU HD1 . 11236 1 733 . 1 1 66 66 LEU HD13 H 1 0.278 0.030 . 1 . . . . 66 LEU HD1 . 11236 1 734 . 1 1 66 66 LEU HD21 H 1 0.064 0.030 . 1 . . . . 66 LEU HD2 . 11236 1 735 . 1 1 66 66 LEU HD22 H 1 0.064 0.030 . 1 . . . . 66 LEU HD2 . 11236 1 736 . 1 1 66 66 LEU HD23 H 1 0.064 0.030 . 1 . . . . 66 LEU HD2 . 11236 1 737 . 1 1 66 66 LEU HG H 1 0.555 0.030 . 1 . . . . 66 LEU HG . 11236 1 738 . 1 1 66 66 LEU C C 13 171.547 0.300 . 1 . . . . 66 LEU C . 11236 1 739 . 1 1 66 66 LEU CA C 13 50.472 0.300 . 1 . . . . 66 LEU CA . 11236 1 740 . 1 1 66 66 LEU CB C 13 39.897 0.300 . 1 . . . . 66 LEU CB . 11236 1 741 . 1 1 66 66 LEU CD1 C 13 24.361 0.300 . 2 . . . . 66 LEU CD1 . 11236 1 742 . 1 1 66 66 LEU CD2 C 13 20.312 0.300 . 2 . . . . 66 LEU CD2 . 11236 1 743 . 1 1 66 66 LEU CG C 13 23.762 0.300 . 1 . . . . 66 LEU CG . 11236 1 744 . 1 1 66 66 LEU N N 15 124.135 0.300 . 1 . . . . 66 LEU N . 11236 1 745 . 1 1 67 67 HIS H H 1 8.253 0.030 . 1 . . . . 67 HIS H . 11236 1 746 . 1 1 67 67 HIS HA H 1 4.569 0.030 . 1 . . . . 67 HIS HA . 11236 1 747 . 1 1 67 67 HIS HB2 H 1 2.861 0.030 . 1 . . . . 67 HIS HB2 . 11236 1 748 . 1 1 67 67 HIS HB3 H 1 2.861 0.030 . 1 . . . . 67 HIS HB3 . 11236 1 749 . 1 1 67 67 HIS HD2 H 1 6.639 0.030 . 1 . . . . 67 HIS HD2 . 11236 1 750 . 1 1 67 67 HIS HE1 H 1 7.926 0.030 . 1 . . . . 67 HIS HE1 . 11236 1 751 . 1 1 67 67 HIS C C 13 170.900 0.300 . 1 . . . . 67 HIS C . 11236 1 752 . 1 1 67 67 HIS CA C 13 51.744 0.300 . 1 . . . . 67 HIS CA . 11236 1 753 . 1 1 67 67 HIS CB C 13 28.431 0.300 . 1 . . . . 67 HIS CB . 11236 1 754 . 1 1 67 67 HIS CD2 C 13 114.922 0.300 . 1 . . . . 67 HIS CD2 . 11236 1 755 . 1 1 67 67 HIS CE1 C 13 134.597 0.300 . 1 . . . . 67 HIS CE1 . 11236 1 756 . 1 1 67 67 HIS N N 15 125.226 0.300 . 1 . . . . 67 HIS N . 11236 1 757 . 1 1 68 68 ILE H H 1 8.168 0.030 . 1 . . . . 68 ILE H . 11236 1 758 . 1 1 68 68 ILE HA H 1 3.939 0.030 . 1 . . . . 68 ILE HA . 11236 1 759 . 1 1 68 68 ILE HB H 1 0.119 0.030 . 1 . . . . 68 ILE HB . 11236 1 760 . 1 1 68 68 ILE HD11 H 1 0.335 0.030 . 1 . . . . 68 ILE HD1 . 11236 1 761 . 1 1 68 68 ILE HD12 H 1 0.335 0.030 . 1 . . . . 68 ILE HD1 . 11236 1 762 . 1 1 68 68 ILE HD13 H 1 0.335 0.030 . 1 . . . . 68 ILE HD1 . 11236 1 763 . 1 1 68 68 ILE HG12 H 1 0.581 0.030 . 2 . . . . 68 ILE HG12 . 11236 1 764 . 1 1 68 68 ILE HG13 H 1 0.749 0.030 . 2 . . . . 68 ILE HG13 . 11236 1 765 . 1 1 68 68 ILE HG21 H 1 0.438 0.030 . 1 . . . . 68 ILE HG2 . 11236 1 766 . 1 1 68 68 ILE HG22 H 1 0.438 0.030 . 1 . . . . 68 ILE HG2 . 11236 1 767 . 1 1 68 68 ILE HG23 H 1 0.438 0.030 . 1 . . . . 68 ILE HG2 . 11236 1 768 . 1 1 68 68 ILE C C 13 171.855 0.300 . 1 . . . . 68 ILE C . 11236 1 769 . 1 1 68 68 ILE CA C 13 56.555 0.300 . 1 . . . . 68 ILE CA . 11236 1 770 . 1 1 68 68 ILE CB C 13 34.008 0.300 . 1 . . . . 68 ILE CB . 11236 1 771 . 1 1 68 68 ILE CD1 C 13 8.781 0.300 . 1 . . . . 68 ILE CD1 . 11236 1 772 . 1 1 68 68 ILE CG1 C 13 24.745 0.300 . 1 . . . . 68 ILE CG1 . 11236 1 773 . 1 1 68 68 ILE CG2 C 13 15.495 0.300 . 1 . . . . 68 ILE CG2 . 11236 1 774 . 1 1 68 68 ILE N N 15 127.613 0.300 . 1 . . . . 68 ILE N . 11236 1 775 . 1 1 69 69 GLN H H 1 8.058 0.030 . 1 . . . . 69 GLN H . 11236 1 776 . 1 1 69 69 GLN HA H 1 4.450 0.030 . 1 . . . . 69 GLN HA . 11236 1 777 . 1 1 69 69 GLN HB2 H 1 1.761 0.030 . 2 . . . . 69 GLN HB2 . 11236 1 778 . 1 1 69 69 GLN HB3 H 1 1.651 0.030 . 2 . . . . 69 GLN HB3 . 11236 1 779 . 1 1 69 69 GLN HE21 H 1 6.523 0.030 . 2 . . . . 69 GLN HE21 . 11236 1 780 . 1 1 69 69 GLN HE22 H 1 7.436 0.030 . 2 . . . . 69 GLN HE22 . 11236 1 781 . 1 1 69 69 GLN HG2 H 1 1.982 0.030 . 1 . . . . 69 GLN HG2 . 11236 1 782 . 1 1 69 69 GLN HG3 H 1 1.982 0.030 . 1 . . . . 69 GLN HG3 . 11236 1 783 . 1 1 69 69 GLN C C 13 172.817 0.300 . 1 . . . . 69 GLN C . 11236 1 784 . 1 1 69 69 GLN CA C 13 51.245 0.300 . 1 . . . . 69 GLN CA . 11236 1 785 . 1 1 69 69 GLN CB C 13 28.811 0.300 . 1 . . . . 69 GLN CB . 11236 1 786 . 1 1 69 69 GLN CG C 13 31.949 0.300 . 1 . . . . 69 GLN CG . 11236 1 787 . 1 1 69 69 GLN N N 15 124.940 0.300 . 1 . . . . 69 GLN N . 11236 1 788 . 1 1 69 69 GLN NE2 N 15 111.472 0.300 . 1 . . . . 69 GLN NE2 . 11236 1 789 . 1 1 70 70 ASP H H 1 8.542 0.030 . 1 . . . . 70 ASP H . 11236 1 790 . 1 1 70 70 ASP HA H 1 3.719 0.030 . 1 . . . . 70 ASP HA . 11236 1 791 . 1 1 70 70 ASP HB2 H 1 2.357 0.030 . 2 . . . . 70 ASP HB2 . 11236 1 792 . 1 1 70 70 ASP HB3 H 1 2.723 0.030 . 2 . . . . 70 ASP HB3 . 11236 1 793 . 1 1 70 70 ASP C C 13 172.417 0.300 . 1 . . . . 70 ASP C . 11236 1 794 . 1 1 70 70 ASP CA C 13 51.603 0.300 . 1 . . . . 70 ASP CA . 11236 1 795 . 1 1 70 70 ASP CB C 13 36.607 0.300 . 1 . . . . 70 ASP CB . 11236 1 796 . 1 1 70 70 ASP N N 15 120.300 0.300 . 1 . . . . 70 ASP N . 11236 1 797 . 1 1 71 71 ALA H H 1 8.111 0.030 . 1 . . . . 71 ALA H . 11236 1 798 . 1 1 71 71 ALA HA H 1 4.008 0.030 . 1 . . . . 71 ALA HA . 11236 1 799 . 1 1 71 71 ALA HB1 H 1 1.356 0.030 . 1 . . . . 71 ALA HB . 11236 1 800 . 1 1 71 71 ALA HB2 H 1 1.356 0.030 . 1 . . . . 71 ALA HB . 11236 1 801 . 1 1 71 71 ALA HB3 H 1 1.356 0.030 . 1 . . . . 71 ALA HB . 11236 1 802 . 1 1 71 71 ALA C C 13 174.940 0.300 . 1 . . . . 71 ALA C . 11236 1 803 . 1 1 71 71 ALA CA C 13 51.345 0.300 . 1 . . . . 71 ALA CA . 11236 1 804 . 1 1 71 71 ALA CB C 13 16.869 0.300 . 1 . . . . 71 ALA CB . 11236 1 805 . 1 1 71 71 ALA N N 15 119.292 0.300 . 1 . . . . 71 ALA N . 11236 1 806 . 1 1 72 72 LEU H H 1 9.656 0.030 . 1 . . . . 72 LEU H . 11236 1 807 . 1 1 72 72 LEU HA H 1 4.794 0.030 . 1 . . . . 72 LEU HA . 11236 1 808 . 1 1 72 72 LEU HB2 H 1 1.676 0.030 . 2 . . . . 72 LEU HB2 . 11236 1 809 . 1 1 72 72 LEU HB3 H 1 1.449 0.030 . 2 . . . . 72 LEU HB3 . 11236 1 810 . 1 1 72 72 LEU HD11 H 1 0.859 0.030 . 1 . . . . 72 LEU HD1 . 11236 1 811 . 1 1 72 72 LEU HD12 H 1 0.859 0.030 . 1 . . . . 72 LEU HD1 . 11236 1 812 . 1 1 72 72 LEU HD13 H 1 0.859 0.030 . 1 . . . . 72 LEU HD1 . 11236 1 813 . 1 1 72 72 LEU HD21 H 1 0.903 0.030 . 1 . . . . 72 LEU HD2 . 11236 1 814 . 1 1 72 72 LEU HD22 H 1 0.903 0.030 . 1 . . . . 72 LEU HD2 . 11236 1 815 . 1 1 72 72 LEU HD23 H 1 0.903 0.030 . 1 . . . . 72 LEU HD2 . 11236 1 816 . 1 1 72 72 LEU HG H 1 1.901 0.030 . 1 . . . . 72 LEU HG . 11236 1 817 . 1 1 72 72 LEU C C 13 173.981 0.300 . 1 . . . . 72 LEU C . 11236 1 818 . 1 1 72 72 LEU CA C 13 49.451 0.300 . 1 . . . . 72 LEU CA . 11236 1 819 . 1 1 72 72 LEU CB C 13 41.014 0.300 . 1 . . . . 72 LEU CB . 11236 1 820 . 1 1 72 72 LEU CD1 C 13 23.323 0.300 . 2 . . . . 72 LEU CD1 . 11236 1 821 . 1 1 72 72 LEU CD2 C 13 20.542 0.300 . 2 . . . . 72 LEU CD2 . 11236 1 822 . 1 1 72 72 LEU CG C 13 23.729 0.300 . 1 . . . . 72 LEU CG . 11236 1 823 . 1 1 72 72 LEU N N 15 125.006 0.300 . 1 . . . . 72 LEU N . 11236 1 824 . 1 1 73 73 PRO HA H 1 4.065 0.030 . 1 . . . . 73 PRO HA . 11236 1 825 . 1 1 73 73 PRO HB2 H 1 2.322 0.030 . 2 . . . . 73 PRO HB2 . 11236 1 826 . 1 1 73 73 PRO HB3 H 1 1.817 0.030 . 2 . . . . 73 PRO HB3 . 11236 1 827 . 1 1 73 73 PRO HD2 H 1 3.584 0.030 . 2 . . . . 73 PRO HD2 . 11236 1 828 . 1 1 73 73 PRO HD3 H 1 3.718 0.030 . 2 . . . . 73 PRO HD3 . 11236 1 829 . 1 1 73 73 PRO HG2 H 1 2.143 0.030 . 2 . . . . 73 PRO HG2 . 11236 1 830 . 1 1 73 73 PRO HG3 H 1 1.857 0.030 . 2 . . . . 73 PRO HG3 . 11236 1 831 . 1 1 73 73 PRO C C 13 176.699 0.300 . 1 . . . . 73 PRO C . 11236 1 832 . 1 1 73 73 PRO CA C 13 63.832 0.300 . 1 . . . . 73 PRO CA . 11236 1 833 . 1 1 73 73 PRO CB C 13 28.853 0.300 . 1 . . . . 73 PRO CB . 11236 1 834 . 1 1 73 73 PRO CD C 13 47.572 0.300 . 1 . . . . 73 PRO CD . 11236 1 835 . 1 1 73 73 PRO CG C 13 25.827 0.300 . 1 . . . . 73 PRO CG . 11236 1 836 . 1 1 74 74 GLU H H 1 8.697 0.030 . 1 . . . . 74 GLU H . 11236 1 837 . 1 1 74 74 GLU HA H 1 4.192 0.030 . 1 . . . . 74 GLU HA . 11236 1 838 . 1 1 74 74 GLU HB2 H 1 1.990 0.030 . 1 . . . . 74 GLU HB2 . 11236 1 839 . 1 1 74 74 GLU HB3 H 1 1.990 0.030 . 1 . . . . 74 GLU HB3 . 11236 1 840 . 1 1 74 74 GLU HG2 H 1 2.209 0.030 . 2 . . . . 74 GLU HG2 . 11236 1 841 . 1 1 74 74 GLU HG3 H 1 2.131 0.030 . 2 . . . . 74 GLU HG3 . 11236 1 842 . 1 1 74 74 GLU C C 13 173.618 0.300 . 1 . . . . 74 GLU C . 11236 1 843 . 1 1 74 74 GLU CA C 13 56.171 0.300 . 1 . . . . 74 GLU CA . 11236 1 844 . 1 1 74 74 GLU CB C 13 25.969 0.300 . 1 . . . . 74 GLU CB . 11236 1 845 . 1 1 74 74 GLU CG C 13 34.156 0.300 . 1 . . . . 74 GLU CG . 11236 1 846 . 1 1 74 74 GLU N N 15 114.840 0.300 . 1 . . . . 74 GLU N . 11236 1 847 . 1 1 75 75 ASP H H 1 8.468 0.030 . 1 . . . . 75 ASP H . 11236 1 848 . 1 1 75 75 ASP HA H 1 4.711 0.030 . 1 . . . . 75 ASP HA . 11236 1 849 . 1 1 75 75 ASP HB2 H 1 2.921 0.030 . 2 . . . . 75 ASP HB2 . 11236 1 850 . 1 1 75 75 ASP HB3 H 1 2.722 0.030 . 2 . . . . 75 ASP HB3 . 11236 1 851 . 1 1 75 75 ASP C C 13 173.414 0.300 . 1 . . . . 75 ASP C . 11236 1 852 . 1 1 75 75 ASP CA C 13 52.695 0.300 . 1 . . . . 75 ASP CA . 11236 1 853 . 1 1 75 75 ASP CB C 13 38.889 0.300 . 1 . . . . 75 ASP CB . 11236 1 854 . 1 1 75 75 ASP N N 15 119.155 0.300 . 1 . . . . 75 ASP N . 11236 1 855 . 1 1 76 76 HIS H H 1 7.663 0.030 . 1 . . . . 76 HIS H . 11236 1 856 . 1 1 76 76 HIS HA H 1 4.320 0.030 . 1 . . . . 76 HIS HA . 11236 1 857 . 1 1 76 76 HIS HB2 H 1 3.027 0.030 . 2 . . . . 76 HIS HB2 . 11236 1 858 . 1 1 76 76 HIS HB3 H 1 3.551 0.030 . 2 . . . . 76 HIS HB3 . 11236 1 859 . 1 1 76 76 HIS HD2 H 1 6.868 0.030 . 1 . . . . 76 HIS HD2 . 11236 1 860 . 1 1 76 76 HIS HE1 H 1 7.937 0.030 . 1 . . . . 76 HIS HE1 . 11236 1 861 . 1 1 76 76 HIS C C 13 170.113 0.300 . 1 . . . . 76 HIS C . 11236 1 862 . 1 1 76 76 HIS CA C 13 53.282 0.300 . 1 . . . . 76 HIS CA . 11236 1 863 . 1 1 76 76 HIS CB C 13 27.563 0.300 . 1 . . . . 76 HIS CB . 11236 1 864 . 1 1 76 76 HIS CD2 C 13 119.966 0.300 . 1 . . . . 76 HIS CD2 . 11236 1 865 . 1 1 76 76 HIS CE1 C 13 135.070 0.300 . 1 . . . . 76 HIS CE1 . 11236 1 866 . 1 1 76 76 HIS N N 15 119.163 0.300 . 1 . . . . 76 HIS N . 11236 1 867 . 1 1 77 77 GLY H H 1 8.229 0.030 . 1 . . . . 77 GLY H . 11236 1 868 . 1 1 77 77 GLY HA2 H 1 2.557 0.030 . 2 . . . . 77 GLY HA2 . 11236 1 869 . 1 1 77 77 GLY HA3 H 1 4.101 0.030 . 2 . . . . 77 GLY HA3 . 11236 1 870 . 1 1 77 77 GLY C C 13 169.191 0.300 . 1 . . . . 77 GLY C . 11236 1 871 . 1 1 77 77 GLY CA C 13 41.346 0.300 . 1 . . . . 77 GLY CA . 11236 1 872 . 1 1 77 77 GLY N N 15 108.994 0.300 . 1 . . . . 77 GLY N . 11236 1 873 . 1 1 78 78 THR H H 1 7.827 0.030 . 1 . . . . 78 THR H . 11236 1 874 . 1 1 78 78 THR HA H 1 4.872 0.030 . 1 . . . . 78 THR HA . 11236 1 875 . 1 1 78 78 THR HB H 1 3.872 0.030 . 1 . . . . 78 THR HB . 11236 1 876 . 1 1 78 78 THR HG21 H 1 0.992 0.030 . 1 . . . . 78 THR HG2 . 11236 1 877 . 1 1 78 78 THR HG22 H 1 0.992 0.030 . 1 . . . . 78 THR HG2 . 11236 1 878 . 1 1 78 78 THR HG23 H 1 0.992 0.030 . 1 . . . . 78 THR HG2 . 11236 1 879 . 1 1 78 78 THR C C 13 174.748 0.300 . 1 . . . . 78 THR C . 11236 1 880 . 1 1 78 78 THR CA C 13 59.321 0.300 . 1 . . . . 78 THR CA . 11236 1 881 . 1 1 78 78 THR CB C 13 66.470 0.300 . 1 . . . . 78 THR CB . 11236 1 882 . 1 1 78 78 THR CG2 C 13 19.150 0.300 . 1 . . . . 78 THR CG2 . 11236 1 883 . 1 1 78 78 THR N N 15 116.189 0.300 . 1 . . . . 78 THR N . 11236 1 884 . 1 1 79 79 TYR H H 1 9.668 0.030 . 1 . . . . 79 TYR H . 11236 1 885 . 1 1 79 79 TYR HA H 1 5.330 0.030 . 1 . . . . 79 TYR HA . 11236 1 886 . 1 1 79 79 TYR HB2 H 1 2.589 0.030 . 2 . . . . 79 TYR HB2 . 11236 1 887 . 1 1 79 79 TYR HB3 H 1 2.748 0.030 . 2 . . . . 79 TYR HB3 . 11236 1 888 . 1 1 79 79 TYR HD1 H 1 6.786 0.030 . 1 . . . . 79 TYR HD1 . 11236 1 889 . 1 1 79 79 TYR HD2 H 1 6.786 0.030 . 1 . . . . 79 TYR HD2 . 11236 1 890 . 1 1 79 79 TYR HE1 H 1 6.537 0.030 . 1 . . . . 79 TYR HE1 . 11236 1 891 . 1 1 79 79 TYR HE2 H 1 6.537 0.030 . 1 . . . . 79 TYR HE2 . 11236 1 892 . 1 1 79 79 TYR C C 13 172.666 0.300 . 1 . . . . 79 TYR C . 11236 1 893 . 1 1 79 79 TYR CA C 13 54.753 0.300 . 1 . . . . 79 TYR CA . 11236 1 894 . 1 1 79 79 TYR CB C 13 38.958 0.300 . 1 . . . . 79 TYR CB . 11236 1 895 . 1 1 79 79 TYR CD1 C 13 130.594 0.300 . 1 . . . . 79 TYR CD1 . 11236 1 896 . 1 1 79 79 TYR CD2 C 13 130.594 0.300 . 1 . . . . 79 TYR CD2 . 11236 1 897 . 1 1 79 79 TYR CE1 C 13 115.105 0.300 . 1 . . . . 79 TYR CE1 . 11236 1 898 . 1 1 79 79 TYR CE2 C 13 115.105 0.300 . 1 . . . . 79 TYR CE2 . 11236 1 899 . 1 1 79 79 TYR N N 15 132.691 0.300 . 1 . . . . 79 TYR N . 11236 1 900 . 1 1 80 80 THR H H 1 9.139 0.030 . 1 . . . . 80 THR H . 11236 1 901 . 1 1 80 80 THR HA H 1 5.152 0.030 . 1 . . . . 80 THR HA . 11236 1 902 . 1 1 80 80 THR HB H 1 3.480 0.030 . 1 . . . . 80 THR HB . 11236 1 903 . 1 1 80 80 THR HG21 H 1 0.958 0.030 . 1 . . . . 80 THR HG2 . 11236 1 904 . 1 1 80 80 THR HG22 H 1 0.958 0.030 . 1 . . . . 80 THR HG2 . 11236 1 905 . 1 1 80 80 THR HG23 H 1 0.958 0.030 . 1 . . . . 80 THR HG2 . 11236 1 906 . 1 1 80 80 THR C C 13 169.633 0.300 . 1 . . . . 80 THR C . 11236 1 907 . 1 1 80 80 THR CA C 13 58.094 0.300 . 1 . . . . 80 THR CA . 11236 1 908 . 1 1 80 80 THR CB C 13 69.756 0.300 . 1 . . . . 80 THR CB . 11236 1 909 . 1 1 80 80 THR CG2 C 13 19.053 0.300 . 1 . . . . 80 THR CG2 . 11236 1 910 . 1 1 80 80 THR N N 15 118.058 0.300 . 1 . . . . 80 THR N . 11236 1 911 . 1 1 81 81 CYS H H 1 8.756 0.030 . 1 . . . . 81 CYS H . 11236 1 912 . 1 1 81 81 CYS HA H 1 3.960 0.030 . 1 . . . . 81 CYS HA . 11236 1 913 . 1 1 81 81 CYS HB2 H 1 2.179 0.030 . 2 . . . . 81 CYS HB2 . 11236 1 914 . 1 1 81 81 CYS HB3 H 1 1.574 0.030 . 2 . . . . 81 CYS HB3 . 11236 1 915 . 1 1 81 81 CYS C C 13 169.561 0.300 . 1 . . . . 81 CYS C . 11236 1 916 . 1 1 81 81 CYS CA C 13 55.568 0.300 . 1 . . . . 81 CYS CA . 11236 1 917 . 1 1 81 81 CYS CB C 13 25.771 0.300 . 1 . . . . 81 CYS CB . 11236 1 918 . 1 1 81 81 CYS N N 15 126.919 0.300 . 1 . . . . 81 CYS N . 11236 1 919 . 1 1 82 82 LEU H H 1 8.800 0.030 . 1 . . . . 82 LEU H . 11236 1 920 . 1 1 82 82 LEU HA H 1 4.809 0.030 . 1 . . . . 82 LEU HA . 11236 1 921 . 1 1 82 82 LEU HB2 H 1 1.585 0.030 . 2 . . . . 82 LEU HB2 . 11236 1 922 . 1 1 82 82 LEU HB3 H 1 1.102 0.030 . 2 . . . . 82 LEU HB3 . 11236 1 923 . 1 1 82 82 LEU HD11 H 1 0.625 0.030 . 1 . . . . 82 LEU HD1 . 11236 1 924 . 1 1 82 82 LEU HD12 H 1 0.625 0.030 . 1 . . . . 82 LEU HD1 . 11236 1 925 . 1 1 82 82 LEU HD13 H 1 0.625 0.030 . 1 . . . . 82 LEU HD1 . 11236 1 926 . 1 1 82 82 LEU HD21 H 1 0.654 0.030 . 1 . . . . 82 LEU HD2 . 11236 1 927 . 1 1 82 82 LEU HD22 H 1 0.654 0.030 . 1 . . . . 82 LEU HD2 . 11236 1 928 . 1 1 82 82 LEU HD23 H 1 0.654 0.030 . 1 . . . . 82 LEU HD2 . 11236 1 929 . 1 1 82 82 LEU HG H 1 1.256 0.030 . 1 . . . . 82 LEU HG . 11236 1 930 . 1 1 82 82 LEU C C 13 171.438 0.300 . 1 . . . . 82 LEU C . 11236 1 931 . 1 1 82 82 LEU CA C 13 51.120 0.300 . 1 . . . . 82 LEU CA . 11236 1 932 . 1 1 82 82 LEU CB C 13 42.123 0.300 . 1 . . . . 82 LEU CB . 11236 1 933 . 1 1 82 82 LEU CD1 C 13 22.887 0.300 . 2 . . . . 82 LEU CD1 . 11236 1 934 . 1 1 82 82 LEU CD2 C 13 21.861 0.300 . 2 . . . . 82 LEU CD2 . 11236 1 935 . 1 1 82 82 LEU CG C 13 24.962 0.300 . 1 . . . . 82 LEU CG . 11236 1 936 . 1 1 82 82 LEU N N 15 131.067 0.300 . 1 . . . . 82 LEU N . 11236 1 937 . 1 1 83 83 ALA H H 1 8.966 0.030 . 1 . . . . 83 ALA H . 11236 1 938 . 1 1 83 83 ALA HA H 1 5.264 0.030 . 1 . . . . 83 ALA HA . 11236 1 939 . 1 1 83 83 ALA HB1 H 1 0.699 0.030 . 1 . . . . 83 ALA HB . 11236 1 940 . 1 1 83 83 ALA HB2 H 1 0.699 0.030 . 1 . . . . 83 ALA HB . 11236 1 941 . 1 1 83 83 ALA HB3 H 1 0.699 0.030 . 1 . . . . 83 ALA HB . 11236 1 942 . 1 1 83 83 ALA C C 13 173.181 0.300 . 1 . . . . 83 ALA C . 11236 1 943 . 1 1 83 83 ALA CA C 13 46.974 0.300 . 1 . . . . 83 ALA CA . 11236 1 944 . 1 1 83 83 ALA CB C 13 19.336 0.300 . 1 . . . . 83 ALA CB . 11236 1 945 . 1 1 83 83 ALA N N 15 127.229 0.300 . 1 . . . . 83 ALA N . 11236 1 946 . 1 1 84 84 GLU H H 1 8.540 0.030 . 1 . . . . 84 GLU H . 11236 1 947 . 1 1 84 84 GLU HA H 1 5.258 0.030 . 1 . . . . 84 GLU HA . 11236 1 948 . 1 1 84 84 GLU HB2 H 1 1.801 0.030 . 1 . . . . 84 GLU HB2 . 11236 1 949 . 1 1 84 84 GLU HB3 H 1 1.801 0.030 . 1 . . . . 84 GLU HB3 . 11236 1 950 . 1 1 84 84 GLU HG2 H 1 1.965 0.030 . 2 . . . . 84 GLU HG2 . 11236 1 951 . 1 1 84 84 GLU HG3 H 1 2.060 0.030 . 2 . . . . 84 GLU HG3 . 11236 1 952 . 1 1 84 84 GLU C C 13 172.732 0.300 . 1 . . . . 84 GLU C . 11236 1 953 . 1 1 84 84 GLU CA C 13 52.206 0.300 . 1 . . . . 84 GLU CA . 11236 1 954 . 1 1 84 84 GLU CB C 13 32.578 0.300 . 1 . . . . 84 GLU CB . 11236 1 955 . 1 1 84 84 GLU CG C 13 33.896 0.300 . 1 . . . . 84 GLU CG . 11236 1 956 . 1 1 84 84 GLU N N 15 120.052 0.300 . 1 . . . . 84 GLU N . 11236 1 957 . 1 1 85 85 ASN H H 1 8.969 0.030 . 1 . . . . 85 ASN H . 11236 1 958 . 1 1 85 85 ASN HA H 1 4.615 0.030 . 1 . . . . 85 ASN HA . 11236 1 959 . 1 1 85 85 ASN HB2 H 1 2.440 0.030 . 2 . . . . 85 ASN HB2 . 11236 1 960 . 1 1 85 85 ASN HB3 H 1 3.129 0.030 . 2 . . . . 85 ASN HB3 . 11236 1 961 . 1 1 85 85 ASN HD21 H 1 7.923 0.030 . 2 . . . . 85 ASN HD21 . 11236 1 962 . 1 1 85 85 ASN HD22 H 1 6.759 0.030 . 2 . . . . 85 ASN HD22 . 11236 1 963 . 1 1 85 85 ASN C C 13 173.180 0.300 . 1 . . . . 85 ASN C . 11236 1 964 . 1 1 85 85 ASN CA C 13 49.161 0.300 . 1 . . . . 85 ASN CA . 11236 1 965 . 1 1 85 85 ASN CB C 13 37.798 0.300 . 1 . . . . 85 ASN CB . 11236 1 966 . 1 1 85 85 ASN N N 15 122.360 0.300 . 1 . . . . 85 ASN N . 11236 1 967 . 1 1 85 85 ASN ND2 N 15 107.007 0.300 . 1 . . . . 85 ASN ND2 . 11236 1 968 . 1 1 86 86 ALA H H 1 8.462 0.030 . 1 . . . . 86 ALA H . 11236 1 969 . 1 1 86 86 ALA HA H 1 3.978 0.030 . 1 . . . . 86 ALA HA . 11236 1 970 . 1 1 86 86 ALA HB1 H 1 1.273 0.030 . 1 . . . . 86 ALA HB . 11236 1 971 . 1 1 86 86 ALA HB2 H 1 1.273 0.030 . 1 . . . . 86 ALA HB . 11236 1 972 . 1 1 86 86 ALA HB3 H 1 1.273 0.030 . 1 . . . . 86 ALA HB . 11236 1 973 . 1 1 86 86 ALA C C 13 175.111 0.300 . 1 . . . . 86 ALA C . 11236 1 974 . 1 1 86 86 ALA CA C 13 52.068 0.300 . 1 . . . . 86 ALA CA . 11236 1 975 . 1 1 86 86 ALA CB C 13 15.903 0.300 . 1 . . . . 86 ALA CB . 11236 1 976 . 1 1 86 86 ALA N N 15 118.158 0.300 . 1 . . . . 86 ALA N . 11236 1 977 . 1 1 87 87 LEU H H 1 7.835 0.030 . 1 . . . . 87 LEU H . 11236 1 978 . 1 1 87 87 LEU HA H 1 4.340 0.030 . 1 . . . . 87 LEU HA . 11236 1 979 . 1 1 87 87 LEU HB2 H 1 1.400 0.030 . 2 . . . . 87 LEU HB2 . 11236 1 980 . 1 1 87 87 LEU HB3 H 1 1.682 0.030 . 2 . . . . 87 LEU HB3 . 11236 1 981 . 1 1 87 87 LEU HD11 H 1 0.708 0.030 . 1 . . . . 87 LEU HD1 . 11236 1 982 . 1 1 87 87 LEU HD12 H 1 0.708 0.030 . 1 . . . . 87 LEU HD1 . 11236 1 983 . 1 1 87 87 LEU HD13 H 1 0.708 0.030 . 1 . . . . 87 LEU HD1 . 11236 1 984 . 1 1 87 87 LEU HD21 H 1 0.708 0.030 . 1 . . . . 87 LEU HD2 . 11236 1 985 . 1 1 87 87 LEU HD22 H 1 0.708 0.030 . 1 . . . . 87 LEU HD2 . 11236 1 986 . 1 1 87 87 LEU HD23 H 1 0.708 0.030 . 1 . . . . 87 LEU HD2 . 11236 1 987 . 1 1 87 87 LEU HG H 1 1.481 0.030 . 1 . . . . 87 LEU HG . 11236 1 988 . 1 1 87 87 LEU C C 13 174.659 0.300 . 1 . . . . 87 LEU C . 11236 1 989 . 1 1 87 87 LEU CA C 13 53.179 0.300 . 1 . . . . 87 LEU CA . 11236 1 990 . 1 1 87 87 LEU CB C 13 39.698 0.300 . 1 . . . . 87 LEU CB . 11236 1 991 . 1 1 87 87 LEU CD1 C 13 22.562 0.300 . 2 . . . . 87 LEU CD1 . 11236 1 992 . 1 1 87 87 LEU CD2 C 13 22.442 0.300 . 2 . . . . 87 LEU CD2 . 11236 1 993 . 1 1 87 87 LEU CG C 13 26.776 0.300 . 1 . . . . 87 LEU CG . 11236 1 994 . 1 1 87 87 LEU N N 15 115.971 0.300 . 1 . . . . 87 LEU N . 11236 1 995 . 1 1 88 88 GLY H H 1 7.641 0.030 . 1 . . . . 88 GLY H . 11236 1 996 . 1 1 88 88 GLY HA2 H 1 3.910 0.030 . 2 . . . . 88 GLY HA2 . 11236 1 997 . 1 1 88 88 GLY HA3 H 1 4.252 0.030 . 2 . . . . 88 GLY HA3 . 11236 1 998 . 1 1 88 88 GLY C C 13 167.069 0.300 . 1 . . . . 88 GLY C . 11236 1 999 . 1 1 88 88 GLY CA C 13 43.324 0.300 . 1 . . . . 88 GLY CA . 11236 1 1000 . 1 1 88 88 GLY N N 15 106.891 0.300 . 1 . . . . 88 GLY N . 11236 1 1001 . 1 1 89 89 GLN H H 1 8.147 0.030 . 1 . . . . 89 GLN H . 11236 1 1002 . 1 1 89 89 GLN HA H 1 5.404 0.030 . 1 . . . . 89 GLN HA . 11236 1 1003 . 1 1 89 89 GLN HB2 H 1 1.861 0.030 . 2 . . . . 89 GLN HB2 . 11236 1 1004 . 1 1 89 89 GLN HB3 H 1 1.902 0.030 . 2 . . . . 89 GLN HB3 . 11236 1 1005 . 1 1 89 89 GLN HE21 H 1 7.399 0.030 . 2 . . . . 89 GLN HE21 . 11236 1 1006 . 1 1 89 89 GLN HE22 H 1 6.659 0.030 . 2 . . . . 89 GLN HE22 . 11236 1 1007 . 1 1 89 89 GLN HG2 H 1 2.097 0.030 . 1 . . . . 89 GLN HG2 . 11236 1 1008 . 1 1 89 89 GLN HG3 H 1 2.097 0.030 . 1 . . . . 89 GLN HG3 . 11236 1 1009 . 1 1 89 89 GLN C C 13 171.981 0.300 . 1 . . . . 89 GLN C . 11236 1 1010 . 1 1 89 89 GLN CA C 13 51.203 0.300 . 1 . . . . 89 GLN CA . 11236 1 1011 . 1 1 89 89 GLN CB C 13 30.647 0.300 . 1 . . . . 89 GLN CB . 11236 1 1012 . 1 1 89 89 GLN CG C 13 31.129 0.300 . 1 . . . . 89 GLN CG . 11236 1 1013 . 1 1 89 89 GLN N N 15 115.460 0.300 . 1 . . . . 89 GLN N . 11236 1 1014 . 1 1 89 89 GLN NE2 N 15 111.781 0.300 . 1 . . . . 89 GLN NE2 . 11236 1 1015 . 1 1 90 90 VAL H H 1 8.743 0.030 . 1 . . . . 90 VAL H . 11236 1 1016 . 1 1 90 90 VAL HA H 1 4.603 0.030 . 1 . . . . 90 VAL HA . 11236 1 1017 . 1 1 90 90 VAL HB H 1 2.081 0.030 . 1 . . . . 90 VAL HB . 11236 1 1018 . 1 1 90 90 VAL HG11 H 1 0.605 0.030 . 1 . . . . 90 VAL HG1 . 11236 1 1019 . 1 1 90 90 VAL HG12 H 1 0.605 0.030 . 1 . . . . 90 VAL HG1 . 11236 1 1020 . 1 1 90 90 VAL HG13 H 1 0.605 0.030 . 1 . . . . 90 VAL HG1 . 11236 1 1021 . 1 1 90 90 VAL HG21 H 1 0.606 0.030 . 1 . . . . 90 VAL HG2 . 11236 1 1022 . 1 1 90 90 VAL HG22 H 1 0.606 0.030 . 1 . . . . 90 VAL HG2 . 11236 1 1023 . 1 1 90 90 VAL HG23 H 1 0.606 0.030 . 1 . . . . 90 VAL HG2 . 11236 1 1024 . 1 1 90 90 VAL C C 13 170.196 0.300 . 1 . . . . 90 VAL C . 11236 1 1025 . 1 1 90 90 VAL CA C 13 57.739 0.300 . 1 . . . . 90 VAL CA . 11236 1 1026 . 1 1 90 90 VAL CB C 13 33.093 0.300 . 1 . . . . 90 VAL CB . 11236 1 1027 . 1 1 90 90 VAL CG1 C 13 18.945 0.300 . 2 . . . . 90 VAL CG1 . 11236 1 1028 . 1 1 90 90 VAL CG2 C 13 17.545 0.300 . 2 . . . . 90 VAL CG2 . 11236 1 1029 . 1 1 90 90 VAL N N 15 119.177 0.300 . 1 . . . . 90 VAL N . 11236 1 1030 . 1 1 91 91 SER H H 1 8.432 0.030 . 1 . . . . 91 SER H . 11236 1 1031 . 1 1 91 91 SER HA H 1 6.063 0.030 . 1 . . . . 91 SER HA . 11236 1 1032 . 1 1 91 91 SER HB2 H 1 3.633 0.030 . 1 . . . . 91 SER HB2 . 11236 1 1033 . 1 1 91 91 SER HB3 H 1 3.633 0.030 . 1 . . . . 91 SER HB3 . 11236 1 1034 . 1 1 91 91 SER C C 13 171.150 0.300 . 1 . . . . 91 SER C . 11236 1 1035 . 1 1 91 91 SER CA C 13 54.404 0.300 . 1 . . . . 91 SER CA . 11236 1 1036 . 1 1 91 91 SER CB C 13 65.030 0.300 . 1 . . . . 91 SER CB . 11236 1 1037 . 1 1 91 91 SER N N 15 115.615 0.300 . 1 . . . . 91 SER N . 11236 1 1038 . 1 1 92 92 CYS H H 1 8.452 0.030 . 1 . . . . 92 CYS H . 11236 1 1039 . 1 1 92 92 CYS HA H 1 4.808 0.030 . 1 . . . . 92 CYS HA . 11236 1 1040 . 1 1 92 92 CYS HB2 H 1 2.535 0.030 . 2 . . . . 92 CYS HB2 . 11236 1 1041 . 1 1 92 92 CYS HB3 H 1 3.132 0.030 . 2 . . . . 92 CYS HB3 . 11236 1 1042 . 1 1 92 92 CYS C C 13 169.402 0.300 . 1 . . . . 92 CYS C . 11236 1 1043 . 1 1 92 92 CYS CA C 13 53.636 0.300 . 1 . . . . 92 CYS CA . 11236 1 1044 . 1 1 92 92 CYS CB C 13 27.387 0.300 . 1 . . . . 92 CYS CB . 11236 1 1045 . 1 1 92 92 CYS N N 15 115.845 0.300 . 1 . . . . 92 CYS N . 11236 1 1046 . 1 1 93 93 SER H H 1 8.564 0.030 . 1 . . . . 93 SER H . 11236 1 1047 . 1 1 93 93 SER HA H 1 6.046 0.030 . 1 . . . . 93 SER HA . 11236 1 1048 . 1 1 93 93 SER HB2 H 1 3.566 0.030 . 1 . . . . 93 SER HB2 . 11236 1 1049 . 1 1 93 93 SER HB3 H 1 3.566 0.030 . 1 . . . . 93 SER HB3 . 11236 1 1050 . 1 1 93 93 SER C C 13 170.084 0.300 . 1 . . . . 93 SER C . 11236 1 1051 . 1 1 93 93 SER CA C 13 55.445 0.300 . 1 . . . . 93 SER CA . 11236 1 1052 . 1 1 93 93 SER CB C 13 64.927 0.300 . 1 . . . . 93 SER CB . 11236 1 1053 . 1 1 94 94 ALA H H 1 9.284 0.030 . 1 . . . . 94 ALA H . 11236 1 1054 . 1 1 94 94 ALA HA H 1 4.545 0.030 . 1 . . . . 94 ALA HA . 11236 1 1055 . 1 1 94 94 ALA HB1 H 1 1.178 0.030 . 1 . . . . 94 ALA HB . 11236 1 1056 . 1 1 94 94 ALA HB2 H 1 1.178 0.030 . 1 . . . . 94 ALA HB . 11236 1 1057 . 1 1 94 94 ALA HB3 H 1 1.178 0.030 . 1 . . . . 94 ALA HB . 11236 1 1058 . 1 1 94 94 ALA C C 13 171.543 0.300 . 1 . . . . 94 ALA C . 11236 1 1059 . 1 1 94 94 ALA CA C 13 49.019 0.300 . 1 . . . . 94 ALA CA . 11236 1 1060 . 1 1 94 94 ALA CB C 13 21.200 0.300 . 1 . . . . 94 ALA CB . 11236 1 1061 . 1 1 94 94 ALA N N 15 123.873 0.300 . 1 . . . . 94 ALA N . 11236 1 1062 . 1 1 95 95 TRP H H 1 9.062 0.030 . 1 . . . . 95 TRP H . 11236 1 1063 . 1 1 95 95 TRP HA H 1 5.054 0.030 . 1 . . . . 95 TRP HA . 11236 1 1064 . 1 1 95 95 TRP HB2 H 1 2.961 0.030 . 2 . . . . 95 TRP HB2 . 11236 1 1065 . 1 1 95 95 TRP HB3 H 1 2.887 0.030 . 2 . . . . 95 TRP HB3 . 11236 1 1066 . 1 1 95 95 TRP HD1 H 1 7.050 0.030 . 1 . . . . 95 TRP HD1 . 11236 1 1067 . 1 1 95 95 TRP HE1 H 1 9.698 0.030 . 1 . . . . 95 TRP HE1 . 11236 1 1068 . 1 1 95 95 TRP HE3 H 1 7.557 0.030 . 1 . . . . 95 TRP HE3 . 11236 1 1069 . 1 1 95 95 TRP HH2 H 1 7.133 0.030 . 1 . . . . 95 TRP HH2 . 11236 1 1070 . 1 1 95 95 TRP HZ2 H 1 7.422 0.030 . 1 . . . . 95 TRP HZ2 . 11236 1 1071 . 1 1 95 95 TRP HZ3 H 1 6.998 0.030 . 1 . . . . 95 TRP HZ3 . 11236 1 1072 . 1 1 95 95 TRP C C 13 172.978 0.300 . 1 . . . . 95 TRP C . 11236 1 1073 . 1 1 95 95 TRP CA C 13 53.624 0.300 . 1 . . . . 95 TRP CA . 11236 1 1074 . 1 1 95 95 TRP CB C 13 28.246 0.300 . 1 . . . . 95 TRP CB . 11236 1 1075 . 1 1 95 95 TRP CD1 C 13 124.659 0.300 . 1 . . . . 95 TRP CD1 . 11236 1 1076 . 1 1 95 95 TRP CE3 C 13 118.964 0.300 . 1 . . . . 95 TRP CE3 . 11236 1 1077 . 1 1 95 95 TRP CH2 C 13 121.461 0.300 . 1 . . . . 95 TRP CH2 . 11236 1 1078 . 1 1 95 95 TRP CZ2 C 13 111.379 0.300 . 1 . . . . 95 TRP CZ2 . 11236 1 1079 . 1 1 95 95 TRP CZ3 C 13 118.974 0.300 . 1 . . . . 95 TRP CZ3 . 11236 1 1080 . 1 1 95 95 TRP N N 15 123.236 0.300 . 1 . . . . 95 TRP N . 11236 1 1081 . 1 1 95 95 TRP NE1 N 15 128.490 0.300 . 1 . . . . 95 TRP NE1 . 11236 1 1082 . 1 1 96 96 VAL H H 1 8.689 0.030 . 1 . . . . 96 VAL H . 11236 1 1083 . 1 1 96 96 VAL HA H 1 4.788 0.030 . 1 . . . . 96 VAL HA . 11236 1 1084 . 1 1 96 96 VAL HB H 1 1.983 0.030 . 1 . . . . 96 VAL HB . 11236 1 1085 . 1 1 96 96 VAL HG11 H 1 0.650 0.030 . 1 . . . . 96 VAL HG1 . 11236 1 1086 . 1 1 96 96 VAL HG12 H 1 0.650 0.030 . 1 . . . . 96 VAL HG1 . 11236 1 1087 . 1 1 96 96 VAL HG13 H 1 0.650 0.030 . 1 . . . . 96 VAL HG1 . 11236 1 1088 . 1 1 96 96 VAL HG21 H 1 0.180 0.030 . 1 . . . . 96 VAL HG2 . 11236 1 1089 . 1 1 96 96 VAL HG22 H 1 0.180 0.030 . 1 . . . . 96 VAL HG2 . 11236 1 1090 . 1 1 96 96 VAL HG23 H 1 0.180 0.030 . 1 . . . . 96 VAL HG2 . 11236 1 1091 . 1 1 96 96 VAL C C 13 172.693 0.300 . 1 . . . . 96 VAL C . 11236 1 1092 . 1 1 96 96 VAL CA C 13 58.102 0.300 . 1 . . . . 96 VAL CA . 11236 1 1093 . 1 1 96 96 VAL CB C 13 31.319 0.300 . 1 . . . . 96 VAL CB . 11236 1 1094 . 1 1 96 96 VAL CG1 C 13 19.771 0.300 . 2 . . . . 96 VAL CG1 . 11236 1 1095 . 1 1 96 96 VAL CG2 C 13 17.525 0.300 . 2 . . . . 96 VAL CG2 . 11236 1 1096 . 1 1 96 96 VAL N N 15 129.498 0.300 . 1 . . . . 96 VAL N . 11236 1 1097 . 1 1 97 97 THR H H 1 8.105 0.030 . 1 . . . . 97 THR H . 11236 1 1098 . 1 1 97 97 THR HA H 1 4.274 0.030 . 1 . . . . 97 THR HA . 11236 1 1099 . 1 1 97 97 THR HB H 1 3.778 0.030 . 1 . . . . 97 THR HB . 11236 1 1100 . 1 1 97 97 THR HG21 H 1 0.810 0.030 . 1 . . . . 97 THR HG2 . 11236 1 1101 . 1 1 97 97 THR HG22 H 1 0.810 0.030 . 1 . . . . 97 THR HG2 . 11236 1 1102 . 1 1 97 97 THR HG23 H 1 0.810 0.030 . 1 . . . . 97 THR HG2 . 11236 1 1103 . 1 1 97 97 THR CA C 13 57.807 0.300 . 1 . . . . 97 THR CA . 11236 1 1104 . 1 1 97 97 THR CB C 13 67.982 0.300 . 1 . . . . 97 THR CB . 11236 1 1105 . 1 1 97 97 THR CG2 C 13 18.738 0.300 . 1 . . . . 97 THR CG2 . 11236 1 1106 . 1 1 97 97 THR N N 15 121.329 0.300 . 1 . . . . 97 THR N . 11236 1 1107 . 1 1 98 98 VAL H H 1 8.296 0.030 . 1 . . . . 98 VAL H . 11236 1 1108 . 1 1 98 98 VAL HA H 1 4.482 0.030 . 1 . . . . 98 VAL HA . 11236 1 1109 . 1 1 98 98 VAL HB H 1 1.739 0.030 . 1 . . . . 98 VAL HB . 11236 1 1110 . 1 1 98 98 VAL HG11 H 1 0.473 0.030 . 1 . . . . 98 VAL HG1 . 11236 1 1111 . 1 1 98 98 VAL HG12 H 1 0.473 0.030 . 1 . . . . 98 VAL HG1 . 11236 1 1112 . 1 1 98 98 VAL HG13 H 1 0.473 0.030 . 1 . . . . 98 VAL HG1 . 11236 1 1113 . 1 1 98 98 VAL HG21 H 1 0.510 0.030 . 1 . . . . 98 VAL HG2 . 11236 1 1114 . 1 1 98 98 VAL HG22 H 1 0.510 0.030 . 1 . . . . 98 VAL HG2 . 11236 1 1115 . 1 1 98 98 VAL HG23 H 1 0.510 0.030 . 1 . . . . 98 VAL HG2 . 11236 1 1116 . 1 1 98 98 VAL C C 13 172.806 0.300 . 1 . . . . 98 VAL C . 11236 1 1117 . 1 1 98 98 VAL CA C 13 58.448 0.300 . 1 . . . . 98 VAL CA . 11236 1 1118 . 1 1 98 98 VAL CB C 13 30.874 0.300 . 1 . . . . 98 VAL CB . 11236 1 1119 . 1 1 98 98 VAL CG1 C 13 17.453 0.300 . 2 . . . . 98 VAL CG1 . 11236 1 1120 . 1 1 98 98 VAL CG2 C 13 16.664 0.300 . 2 . . . . 98 VAL CG2 . 11236 1 1121 . 1 1 98 98 VAL N N 15 125.062 0.300 . 1 . . . . 98 VAL N . 11236 1 1122 . 1 1 99 99 HIS H H 1 8.813 0.030 . 1 . . . . 99 HIS H . 11236 1 1123 . 1 1 99 99 HIS HA H 1 4.508 0.030 . 1 . . . . 99 HIS HA . 11236 1 1124 . 1 1 99 99 HIS HB2 H 1 2.998 0.030 . 2 . . . . 99 HIS HB2 . 11236 1 1125 . 1 1 99 99 HIS HB3 H 1 2.898 0.030 . 2 . . . . 99 HIS HB3 . 11236 1 1126 . 1 1 99 99 HIS HD2 H 1 6.838 0.030 . 1 . . . . 99 HIS HD2 . 11236 1 1127 . 1 1 99 99 HIS HE1 H 1 8.024 0.030 . 1 . . . . 99 HIS HE1 . 11236 1 1128 . 1 1 99 99 HIS C C 13 176.166 0.300 . 1 . . . . 99 HIS C . 11236 1 1129 . 1 1 99 99 HIS CA C 13 54.278 0.300 . 1 . . . . 99 HIS CA . 11236 1 1130 . 1 1 99 99 HIS CB C 13 28.823 0.300 . 1 . . . . 99 HIS CB . 11236 1 1131 . 1 1 99 99 HIS CD2 C 13 117.354 0.300 . 1 . . . . 99 HIS CD2 . 11236 1 1132 . 1 1 99 99 HIS CE1 C 13 134.509 0.300 . 1 . . . . 99 HIS CE1 . 11236 1 1133 . 1 1 99 99 HIS N N 15 131.777 0.300 . 1 . . . . 99 HIS N . 11236 1 stop_ save_