data_11214 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11214 _Entry.Title ; Solution structure of the SH3 domain of Fyn-related kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _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 . . . 11214 2 C. Kurosaki . . . 11214 3 M. Yoshida . . . 11214 4 F. Hayashi . . . 11214 5 S. Yokoyama . . . 11214 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)' . 11214 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11214 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 11214 '15N chemical shifts' 79 11214 '1H chemical shifts' 488 11214 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 . . 2011-07-21 2010-07-22 original author . 11214 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D8J 'BMRB Entry Tracking System' 11214 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11214 _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 SH3 domain of Fyn-related kinase' _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 . . . 11214 1 2 C. Kurosaki . . . 11214 1 3 M. Yoshida . . . 11214 1 4 F. Hayashi . . . 11214 1 5 S. Yokoyama . . . 11214 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11214 _Assembly.ID 1 _Assembly.Name 'SH3 domain of Fyn-related kinase' _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.2.7.1.112 _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 'SH3 domain of Fyn-related kinase' 1 $entity_1 A . yes native no no . . . 11214 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 2d8j . . . . . . 11214 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11214 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; GSSGSSGQYFVALFDYQART AEDLSFRAGDKLQVLDTSHE GWWLARHLEKKGTGLGQQLQ GYIPSNYVAEDSGPSSG ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2D8J . "Solution Structure Of The Sh3 Domain Of Fyn-Related Kinase" . . . . . 100.00 77 100.00 100.00 4.22e-47 . . . . 11214 1 2 no DBJ BAC26155 . "unnamed protein product [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 3 no DBJ BAC35063 . "unnamed protein product [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 4 no DBJ BAC36718 . "unnamed protein product [Mus musculus]" . . . . . 87.01 393 98.51 98.51 3.97e-37 . . . . 11214 1 5 no DBJ BAE38741 . "unnamed protein product [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 6 no EMBL CAA88658 . "intestinal tyrosine kinase [Mus musculus]" . . . . . 87.01 512 98.51 98.51 9.04e-37 . . . . 11214 1 7 no GB AAA65197 . "protein tyrosine kinase [Mus musculus]" . . . . . 87.01 512 98.51 98.51 9.13e-37 . . . . 11214 1 8 no GB AAH07137 . "Fyn-related kinase [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 9 no GB EDL04891 . "fyn-related kinase, isoform CRA_a [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 10 no GB EDL04892 . "fyn-related kinase, isoform CRA_a [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 11 no GB EDL04893 . "fyn-related kinase, isoform CRA_b, partial [Mus musculus]" . . . . . 87.01 515 98.51 98.51 7.82e-37 . . . . 11214 1 12 no REF NP_001153016 . "tyrosine-protein kinase FRK [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 13 no REF NP_034367 . "tyrosine-protein kinase FRK [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 14 no REF XP_006512597 . "PREDICTED: tyrosine-protein kinase FRK isoform X1 [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 15 no REF XP_006512598 . "PREDICTED: tyrosine-protein kinase FRK isoform X1 [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 16 no REF XP_006512599 . "PREDICTED: tyrosine-protein kinase FRK isoform X1 [Mus musculus]" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 17 no SP Q922K9 . "RecName: Full=Tyrosine-protein kinase FRK; AltName: Full=Beta-cell Src-homology tyrosine kinase; Short=BSK; AltName: Full=FYN-r" . . . . . 87.01 512 98.51 98.51 8.27e-37 . . . . 11214 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11214 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 . 11214 1 2 . SER . 11214 1 3 . SER . 11214 1 4 . GLY . 11214 1 5 . SER . 11214 1 6 . SER . 11214 1 7 . GLY . 11214 1 8 . GLN . 11214 1 9 . TYR . 11214 1 10 . PHE . 11214 1 11 . VAL . 11214 1 12 . ALA . 11214 1 13 . LEU . 11214 1 14 . PHE . 11214 1 15 . ASP . 11214 1 16 . TYR . 11214 1 17 . GLN . 11214 1 18 . ALA . 11214 1 19 . ARG . 11214 1 20 . THR . 11214 1 21 . ALA . 11214 1 22 . GLU . 11214 1 23 . ASP . 11214 1 24 . LEU . 11214 1 25 . SER . 11214 1 26 . PHE . 11214 1 27 . ARG . 11214 1 28 . ALA . 11214 1 29 . GLY . 11214 1 30 . ASP . 11214 1 31 . LYS . 11214 1 32 . LEU . 11214 1 33 . GLN . 11214 1 34 . VAL . 11214 1 35 . LEU . 11214 1 36 . ASP . 11214 1 37 . THR . 11214 1 38 . SER . 11214 1 39 . HIS . 11214 1 40 . GLU . 11214 1 41 . GLY . 11214 1 42 . TRP . 11214 1 43 . TRP . 11214 1 44 . LEU . 11214 1 45 . ALA . 11214 1 46 . ARG . 11214 1 47 . HIS . 11214 1 48 . LEU . 11214 1 49 . GLU . 11214 1 50 . LYS . 11214 1 51 . LYS . 11214 1 52 . GLY . 11214 1 53 . THR . 11214 1 54 . GLY . 11214 1 55 . LEU . 11214 1 56 . GLY . 11214 1 57 . GLN . 11214 1 58 . GLN . 11214 1 59 . LEU . 11214 1 60 . GLN . 11214 1 61 . GLY . 11214 1 62 . TYR . 11214 1 63 . ILE . 11214 1 64 . PRO . 11214 1 65 . SER . 11214 1 66 . ASN . 11214 1 67 . TYR . 11214 1 68 . VAL . 11214 1 69 . ALA . 11214 1 70 . GLU . 11214 1 71 . ASP . 11214 1 72 . SER . 11214 1 73 . GLY . 11214 1 74 . PRO . 11214 1 75 . SER . 11214 1 76 . SER . 11214 1 77 . GLY . 11214 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 11214 1 . SER 2 2 11214 1 . SER 3 3 11214 1 . GLY 4 4 11214 1 . SER 5 5 11214 1 . SER 6 6 11214 1 . GLY 7 7 11214 1 . GLN 8 8 11214 1 . TYR 9 9 11214 1 . PHE 10 10 11214 1 . VAL 11 11 11214 1 . ALA 12 12 11214 1 . LEU 13 13 11214 1 . PHE 14 14 11214 1 . ASP 15 15 11214 1 . TYR 16 16 11214 1 . GLN 17 17 11214 1 . ALA 18 18 11214 1 . ARG 19 19 11214 1 . THR 20 20 11214 1 . ALA 21 21 11214 1 . GLU 22 22 11214 1 . ASP 23 23 11214 1 . LEU 24 24 11214 1 . SER 25 25 11214 1 . PHE 26 26 11214 1 . ARG 27 27 11214 1 . ALA 28 28 11214 1 . GLY 29 29 11214 1 . ASP 30 30 11214 1 . LYS 31 31 11214 1 . LEU 32 32 11214 1 . GLN 33 33 11214 1 . VAL 34 34 11214 1 . LEU 35 35 11214 1 . ASP 36 36 11214 1 . THR 37 37 11214 1 . SER 38 38 11214 1 . HIS 39 39 11214 1 . GLU 40 40 11214 1 . GLY 41 41 11214 1 . TRP 42 42 11214 1 . TRP 43 43 11214 1 . LEU 44 44 11214 1 . ALA 45 45 11214 1 . ARG 46 46 11214 1 . HIS 47 47 11214 1 . LEU 48 48 11214 1 . GLU 49 49 11214 1 . LYS 50 50 11214 1 . LYS 51 51 11214 1 . GLY 52 52 11214 1 . THR 53 53 11214 1 . GLY 54 54 11214 1 . LEU 55 55 11214 1 . GLY 56 56 11214 1 . GLN 57 57 11214 1 . GLN 58 58 11214 1 . LEU 59 59 11214 1 . GLN 60 60 11214 1 . GLY 61 61 11214 1 . TYR 62 62 11214 1 . ILE 63 63 11214 1 . PRO 64 64 11214 1 . SER 65 65 11214 1 . ASN 66 66 11214 1 . TYR 67 67 11214 1 . VAL 68 68 11214 1 . ALA 69 69 11214 1 . GLU 70 70 11214 1 . ASP 71 71 11214 1 . SER 72 72 11214 1 . GLY 73 73 11214 1 . PRO 74 74 11214 1 . SER 75 75 11214 1 . SER 76 76 11214 1 . GLY 77 77 11214 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 11214 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11214 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 11214 _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 . . P050425-22 . . . . . . 11214 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11214 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.17mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.17 . . mM . . . . 11214 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11214 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11214 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11214 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11214 1 6 H2O . . . . . . solvent 90 . . % . . . . 11214 1 7 D2O . . . . . . solvent 10 . . % . . . . 11214 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 11214 _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 11214 1 pH 7.0 0.05 pH 11214 1 pressure 1 0.001 atm 11214 1 temperature 298 0.1 K 11214 1 stop_ save_ ############################ # Computer software used # ############################ save_Delta_NMR _Software.Sf_category software _Software.Sf_framecode Delta_NMR _Software.Entry_ID 11214 _Software.ID 1 _Software.Name 'Delta NMR' _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID JEOL . . 11214 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11214 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11214 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11214 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11214 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11214 _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.' . . 11214 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11214 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11214 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11214 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11214 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11214 _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.' . . 11214 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11214 5 'structure solution' 11214 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 11214 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11214 _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 . 800 . . . 11214 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 11214 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11214 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11214 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 11214 _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 . . . . . . . . . 11214 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11214 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11214 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 11214 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11214 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11214 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_NMR . . 11214 1 2 $NMRPipe . . 11214 1 3 $NMRView . . 11214 1 4 $Kujira . . 11214 1 5 $CYANA . . 11214 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 4 4 GLY HA2 H 1 3.913 0.030 . 1 . . . . 4 GLY HA2 . 11214 1 2 . 1 1 4 4 GLY HA3 H 1 3.913 0.030 . 1 . . . . 4 GLY HA3 . 11214 1 3 . 1 1 4 4 GLY C C 13 171.619 0.300 . 1 . . . . 4 GLY C . 11214 1 4 . 1 1 4 4 GLY CA C 13 42.804 0.300 . 1 . . . . 4 GLY CA . 11214 1 5 . 1 1 5 5 SER H H 1 8.140 0.030 . 1 . . . . 5 SER H . 11214 1 6 . 1 1 5 5 SER C C 13 172.020 0.300 . 1 . . . . 5 SER C . 11214 1 7 . 1 1 5 5 SER CA C 13 55.327 0.300 . 1 . . . . 5 SER CA . 11214 1 8 . 1 1 5 5 SER CB C 13 61.261 0.300 . 1 . . . . 5 SER CB . 11214 1 9 . 1 1 5 5 SER N N 15 115.595 0.300 . 1 . . . . 5 SER N . 11214 1 10 . 1 1 6 6 SER HA H 1 4.353 0.030 . 1 . . . . 6 SER HA . 11214 1 11 . 1 1 6 6 SER HB2 H 1 3.784 0.030 . 1 . . . . 6 SER HB2 . 11214 1 12 . 1 1 6 6 SER HB3 H 1 3.784 0.030 . 1 . . . . 6 SER HB3 . 11214 1 13 . 1 1 6 6 SER C C 13 172.207 0.300 . 1 . . . . 6 SER C . 11214 1 14 . 1 1 6 6 SER CA C 13 56.098 0.300 . 1 . . . . 6 SER CA . 11214 1 15 . 1 1 6 6 SER CB C 13 61.293 0.300 . 1 . . . . 6 SER CB . 11214 1 16 . 1 1 7 7 GLY H H 1 8.307 0.030 . 1 . . . . 7 GLY H . 11214 1 17 . 1 1 7 7 GLY HA2 H 1 3.790 0.030 . 1 . . . . 7 GLY HA2 . 11214 1 18 . 1 1 7 7 GLY HA3 H 1 3.790 0.030 . 1 . . . . 7 GLY HA3 . 11214 1 19 . 1 1 7 7 GLY C C 13 170.824 0.300 . 1 . . . . 7 GLY C . 11214 1 20 . 1 1 7 7 GLY CA C 13 42.685 0.300 . 1 . . . . 7 GLY CA . 11214 1 21 . 1 1 7 7 GLY N N 15 110.574 0.300 . 1 . . . . 7 GLY N . 11214 1 22 . 1 1 8 8 GLN H H 1 8.017 0.030 . 1 . . . . 8 GLN H . 11214 1 23 . 1 1 8 8 GLN HA H 1 4.302 0.030 . 1 . . . . 8 GLN HA . 11214 1 24 . 1 1 8 8 GLN HB2 H 1 1.879 0.030 . 2 . . . . 8 GLN HB2 . 11214 1 25 . 1 1 8 8 GLN HB3 H 1 1.790 0.030 . 2 . . . . 8 GLN HB3 . 11214 1 26 . 1 1 8 8 GLN HE21 H 1 7.251 0.030 . 2 . . . . 8 GLN HE21 . 11214 1 27 . 1 1 8 8 GLN HE22 H 1 6.633 0.030 . 2 . . . . 8 GLN HE22 . 11214 1 28 . 1 1 8 8 GLN HG2 H 1 2.019 0.030 . 1 . . . . 8 GLN HG2 . 11214 1 29 . 1 1 8 8 GLN HG3 H 1 2.019 0.030 . 1 . . . . 8 GLN HG3 . 11214 1 30 . 1 1 8 8 GLN C C 13 172.211 0.300 . 1 . . . . 8 GLN C . 11214 1 31 . 1 1 8 8 GLN CA C 13 53.053 0.300 . 1 . . . . 8 GLN CA . 11214 1 32 . 1 1 8 8 GLN CB C 13 27.817 0.300 . 1 . . . . 8 GLN CB . 11214 1 33 . 1 1 8 8 GLN CG C 13 31.306 0.300 . 1 . . . . 8 GLN CG . 11214 1 34 . 1 1 8 8 GLN N N 15 118.100 0.300 . 1 . . . . 8 GLN N . 11214 1 35 . 1 1 8 8 GLN NE2 N 15 111.608 0.300 . 1 . . . . 8 GLN NE2 . 11214 1 36 . 1 1 9 9 TYR H H 1 8.038 0.030 . 1 . . . . 9 TYR H . 11214 1 37 . 1 1 9 9 TYR HA H 1 5.154 0.030 . 1 . . . . 9 TYR HA . 11214 1 38 . 1 1 9 9 TYR HB2 H 1 3.052 0.030 . 2 . . . . 9 TYR HB2 . 11214 1 39 . 1 1 9 9 TYR HB3 H 1 2.736 0.030 . 2 . . . . 9 TYR HB3 . 11214 1 40 . 1 1 9 9 TYR HD1 H 1 6.984 0.030 . 1 . . . . 9 TYR HD1 . 11214 1 41 . 1 1 9 9 TYR HD2 H 1 6.984 0.030 . 1 . . . . 9 TYR HD2 . 11214 1 42 . 1 1 9 9 TYR HE1 H 1 6.658 0.030 . 1 . . . . 9 TYR HE1 . 11214 1 43 . 1 1 9 9 TYR HE2 H 1 6.658 0.030 . 1 . . . . 9 TYR HE2 . 11214 1 44 . 1 1 9 9 TYR C C 13 172.023 0.300 . 1 . . . . 9 TYR C . 11214 1 45 . 1 1 9 9 TYR CA C 13 54.913 0.300 . 1 . . . . 9 TYR CA . 11214 1 46 . 1 1 9 9 TYR CB C 13 36.558 0.300 . 1 . . . . 9 TYR CB . 11214 1 47 . 1 1 9 9 TYR CD1 C 13 130.388 0.300 . 1 . . . . 9 TYR CD1 . 11214 1 48 . 1 1 9 9 TYR CD2 C 13 130.388 0.300 . 1 . . . . 9 TYR CD2 . 11214 1 49 . 1 1 9 9 TYR CE1 C 13 115.351 0.300 . 1 . . . . 9 TYR CE1 . 11214 1 50 . 1 1 9 9 TYR CE2 C 13 115.351 0.300 . 1 . . . . 9 TYR CE2 . 11214 1 51 . 1 1 9 9 TYR N N 15 120.392 0.300 . 1 . . . . 9 TYR N . 11214 1 52 . 1 1 10 10 PHE H H 1 9.188 0.030 . 1 . . . . 10 PHE H . 11214 1 53 . 1 1 10 10 PHE HA H 1 4.889 0.030 . 1 . . . . 10 PHE HA . 11214 1 54 . 1 1 10 10 PHE HB2 H 1 2.446 0.030 . 2 . . . . 10 PHE HB2 . 11214 1 55 . 1 1 10 10 PHE HB3 H 1 2.672 0.030 . 2 . . . . 10 PHE HB3 . 11214 1 56 . 1 1 10 10 PHE HD1 H 1 6.834 0.030 . 1 . . . . 10 PHE HD1 . 11214 1 57 . 1 1 10 10 PHE HD2 H 1 6.834 0.030 . 1 . . . . 10 PHE HD2 . 11214 1 58 . 1 1 10 10 PHE HE1 H 1 7.192 0.030 . 1 . . . . 10 PHE HE1 . 11214 1 59 . 1 1 10 10 PHE HE2 H 1 7.192 0.030 . 1 . . . . 10 PHE HE2 . 11214 1 60 . 1 1 10 10 PHE HZ H 1 7.130 0.030 . 1 . . . . 10 PHE HZ . 11214 1 61 . 1 1 10 10 PHE C C 13 171.299 0.300 . 1 . . . . 10 PHE C . 11214 1 62 . 1 1 10 10 PHE CA C 13 54.266 0.300 . 1 . . . . 10 PHE CA . 11214 1 63 . 1 1 10 10 PHE CB C 13 41.002 0.300 . 1 . . . . 10 PHE CB . 11214 1 64 . 1 1 10 10 PHE CD1 C 13 129.046 0.300 . 1 . . . . 10 PHE CD1 . 11214 1 65 . 1 1 10 10 PHE CD2 C 13 129.046 0.300 . 1 . . . . 10 PHE CD2 . 11214 1 66 . 1 1 10 10 PHE CE1 C 13 128.396 0.300 . 1 . . . . 10 PHE CE1 . 11214 1 67 . 1 1 10 10 PHE CE2 C 13 128.396 0.300 . 1 . . . . 10 PHE CE2 . 11214 1 68 . 1 1 10 10 PHE CZ C 13 128.078 0.300 . 1 . . . . 10 PHE CZ . 11214 1 69 . 1 1 10 10 PHE N N 15 121.573 0.300 . 1 . . . . 10 PHE N . 11214 1 70 . 1 1 11 11 VAL H H 1 9.505 0.030 . 1 . . . . 11 VAL H . 11214 1 71 . 1 1 11 11 VAL HA H 1 5.027 0.030 . 1 . . . . 11 VAL HA . 11214 1 72 . 1 1 11 11 VAL HB H 1 1.747 0.030 . 1 . . . . 11 VAL HB . 11214 1 73 . 1 1 11 11 VAL HG11 H 1 0.803 0.030 . 1 . . . . 11 VAL HG1 . 11214 1 74 . 1 1 11 11 VAL HG12 H 1 0.803 0.030 . 1 . . . . 11 VAL HG1 . 11214 1 75 . 1 1 11 11 VAL HG13 H 1 0.803 0.030 . 1 . . . . 11 VAL HG1 . 11214 1 76 . 1 1 11 11 VAL HG21 H 1 0.754 0.030 . 1 . . . . 11 VAL HG2 . 11214 1 77 . 1 1 11 11 VAL HG22 H 1 0.754 0.030 . 1 . . . . 11 VAL HG2 . 11214 1 78 . 1 1 11 11 VAL HG23 H 1 0.754 0.030 . 1 . . . . 11 VAL HG2 . 11214 1 79 . 1 1 11 11 VAL C C 13 171.999 0.300 . 1 . . . . 11 VAL C . 11214 1 80 . 1 1 11 11 VAL CA C 13 56.357 0.300 . 1 . . . . 11 VAL CA . 11214 1 81 . 1 1 11 11 VAL CB C 13 32.327 0.300 . 1 . . . . 11 VAL CB . 11214 1 82 . 1 1 11 11 VAL CG1 C 13 18.877 0.300 . 2 . . . . 11 VAL CG1 . 11214 1 83 . 1 1 11 11 VAL CG2 C 13 17.097 0.300 . 2 . . . . 11 VAL CG2 . 11214 1 84 . 1 1 11 11 VAL N N 15 120.115 0.300 . 1 . . . . 11 VAL N . 11214 1 85 . 1 1 12 12 ALA H H 1 8.651 0.030 . 1 . . . . 12 ALA H . 11214 1 86 . 1 1 12 12 ALA HA H 1 4.470 0.030 . 1 . . . . 12 ALA HA . 11214 1 87 . 1 1 12 12 ALA HB1 H 1 1.552 0.030 . 1 . . . . 12 ALA HB . 11214 1 88 . 1 1 12 12 ALA HB2 H 1 1.552 0.030 . 1 . . . . 12 ALA HB . 11214 1 89 . 1 1 12 12 ALA HB3 H 1 1.552 0.030 . 1 . . . . 12 ALA HB . 11214 1 90 . 1 1 12 12 ALA C C 13 176.869 0.300 . 1 . . . . 12 ALA C . 11214 1 91 . 1 1 12 12 ALA CA C 13 49.647 0.300 . 1 . . . . 12 ALA CA . 11214 1 92 . 1 1 12 12 ALA CB C 13 18.801 0.300 . 1 . . . . 12 ALA CB . 11214 1 93 . 1 1 12 12 ALA N N 15 127.101 0.300 . 1 . . . . 12 ALA N . 11214 1 94 . 1 1 13 13 LEU H H 1 9.416 0.030 . 1 . . . . 13 LEU H . 11214 1 95 . 1 1 13 13 LEU HA H 1 3.898 0.030 . 1 . . . . 13 LEU HA . 11214 1 96 . 1 1 13 13 LEU HB2 H 1 0.758 0.030 . 2 . . . . 13 LEU HB2 . 11214 1 97 . 1 1 13 13 LEU HB3 H 1 0.365 0.030 . 2 . . . . 13 LEU HB3 . 11214 1 98 . 1 1 13 13 LEU HD11 H 1 0.541 0.030 . 1 . . . . 13 LEU HD1 . 11214 1 99 . 1 1 13 13 LEU HD12 H 1 0.541 0.030 . 1 . . . . 13 LEU HD1 . 11214 1 100 . 1 1 13 13 LEU HD13 H 1 0.541 0.030 . 1 . . . . 13 LEU HD1 . 11214 1 101 . 1 1 13 13 LEU HD21 H 1 0.541 0.030 . 1 . . . . 13 LEU HD2 . 11214 1 102 . 1 1 13 13 LEU HD22 H 1 0.541 0.030 . 1 . . . . 13 LEU HD2 . 11214 1 103 . 1 1 13 13 LEU HD23 H 1 0.541 0.030 . 1 . . . . 13 LEU HD2 . 11214 1 104 . 1 1 13 13 LEU HG H 1 1.226 0.030 . 1 . . . . 13 LEU HG . 11214 1 105 . 1 1 13 13 LEU C C 13 173.033 0.300 . 1 . . . . 13 LEU C . 11214 1 106 . 1 1 13 13 LEU CA C 13 53.008 0.300 . 1 . . . . 13 LEU CA . 11214 1 107 . 1 1 13 13 LEU CB C 13 40.487 0.300 . 1 . . . . 13 LEU CB . 11214 1 108 . 1 1 13 13 LEU CD1 C 13 22.593 0.300 . 2 . . . . 13 LEU CD1 . 11214 1 109 . 1 1 13 13 LEU CD2 C 13 19.096 0.300 . 2 . . . . 13 LEU CD2 . 11214 1 110 . 1 1 13 13 LEU CG C 13 24.123 0.300 . 1 . . . . 13 LEU CG . 11214 1 111 . 1 1 13 13 LEU N N 15 125.302 0.300 . 1 . . . . 13 LEU N . 11214 1 112 . 1 1 14 14 PHE H H 1 6.989 0.030 . 1 . . . . 14 PHE H . 11214 1 113 . 1 1 14 14 PHE HA H 1 4.871 0.030 . 1 . . . . 14 PHE HA . 11214 1 114 . 1 1 14 14 PHE HB2 H 1 2.350 0.030 . 2 . . . . 14 PHE HB2 . 11214 1 115 . 1 1 14 14 PHE HB3 H 1 3.276 0.030 . 2 . . . . 14 PHE HB3 . 11214 1 116 . 1 1 14 14 PHE HD1 H 1 6.660 0.030 . 1 . . . . 14 PHE HD1 . 11214 1 117 . 1 1 14 14 PHE HD2 H 1 6.660 0.030 . 1 . . . . 14 PHE HD2 . 11214 1 118 . 1 1 14 14 PHE HE1 H 1 7.060 0.030 . 1 . . . . 14 PHE HE1 . 11214 1 119 . 1 1 14 14 PHE HE2 H 1 7.060 0.030 . 1 . . . . 14 PHE HE2 . 11214 1 120 . 1 1 14 14 PHE HZ H 1 7.077 0.030 . 1 . . . . 14 PHE HZ . 11214 1 121 . 1 1 14 14 PHE C C 13 170.655 0.300 . 1 . . . . 14 PHE C . 11214 1 122 . 1 1 14 14 PHE CA C 13 51.377 0.300 . 1 . . . . 14 PHE CA . 11214 1 123 . 1 1 14 14 PHE CB C 13 41.034 0.300 . 1 . . . . 14 PHE CB . 11214 1 124 . 1 1 14 14 PHE CD1 C 13 129.870 0.300 . 1 . . . . 14 PHE CD1 . 11214 1 125 . 1 1 14 14 PHE CD2 C 13 129.870 0.300 . 1 . . . . 14 PHE CD2 . 11214 1 126 . 1 1 14 14 PHE CE1 C 13 128.304 0.300 . 1 . . . . 14 PHE CE1 . 11214 1 127 . 1 1 14 14 PHE CE2 C 13 128.304 0.300 . 1 . . . . 14 PHE CE2 . 11214 1 128 . 1 1 14 14 PHE CZ C 13 127.082 0.300 . 1 . . . . 14 PHE CZ . 11214 1 129 . 1 1 14 14 PHE N N 15 112.791 0.300 . 1 . . . . 14 PHE N . 11214 1 130 . 1 1 15 15 ASP H H 1 8.385 0.030 . 1 . . . . 15 ASP H . 11214 1 131 . 1 1 15 15 ASP HA H 1 4.621 0.030 . 1 . . . . 15 ASP HA . 11214 1 132 . 1 1 15 15 ASP HB2 H 1 2.677 0.030 . 2 . . . . 15 ASP HB2 . 11214 1 133 . 1 1 15 15 ASP HB3 H 1 2.582 0.030 . 2 . . . . 15 ASP HB3 . 11214 1 134 . 1 1 15 15 ASP C C 13 173.154 0.300 . 1 . . . . 15 ASP C . 11214 1 135 . 1 1 15 15 ASP CA C 13 51.984 0.300 . 1 . . . . 15 ASP CA . 11214 1 136 . 1 1 15 15 ASP CB C 13 39.208 0.300 . 1 . . . . 15 ASP CB . 11214 1 137 . 1 1 15 15 ASP N N 15 117.730 0.300 . 1 . . . . 15 ASP N . 11214 1 138 . 1 1 16 16 TYR H H 1 8.402 0.030 . 1 . . . . 16 TYR H . 11214 1 139 . 1 1 16 16 TYR HA H 1 4.424 0.030 . 1 . . . . 16 TYR HA . 11214 1 140 . 1 1 16 16 TYR HB2 H 1 2.241 0.030 . 2 . . . . 16 TYR HB2 . 11214 1 141 . 1 1 16 16 TYR HB3 H 1 0.784 0.030 . 2 . . . . 16 TYR HB3 . 11214 1 142 . 1 1 16 16 TYR HD1 H 1 6.930 0.030 . 1 . . . . 16 TYR HD1 . 11214 1 143 . 1 1 16 16 TYR HD2 H 1 6.930 0.030 . 1 . . . . 16 TYR HD2 . 11214 1 144 . 1 1 16 16 TYR HE1 H 1 6.625 0.030 . 1 . . . . 16 TYR HE1 . 11214 1 145 . 1 1 16 16 TYR HE2 H 1 6.625 0.030 . 1 . . . . 16 TYR HE2 . 11214 1 146 . 1 1 16 16 TYR C C 13 170.698 0.300 . 1 . . . . 16 TYR C . 11214 1 147 . 1 1 16 16 TYR CA C 13 55.821 0.300 . 1 . . . . 16 TYR CA . 11214 1 148 . 1 1 16 16 TYR CB C 13 39.675 0.300 . 1 . . . . 16 TYR CB . 11214 1 149 . 1 1 16 16 TYR CD1 C 13 131.135 0.300 . 1 . . . . 16 TYR CD1 . 11214 1 150 . 1 1 16 16 TYR CD2 C 13 131.135 0.300 . 1 . . . . 16 TYR CD2 . 11214 1 151 . 1 1 16 16 TYR CE1 C 13 114.852 0.300 . 1 . . . . 16 TYR CE1 . 11214 1 152 . 1 1 16 16 TYR CE2 C 13 114.852 0.300 . 1 . . . . 16 TYR CE2 . 11214 1 153 . 1 1 16 16 TYR N N 15 120.415 0.300 . 1 . . . . 16 TYR N . 11214 1 154 . 1 1 17 17 GLN H H 1 7.341 0.030 . 1 . . . . 17 GLN H . 11214 1 155 . 1 1 17 17 GLN HA H 1 4.203 0.030 . 1 . . . . 17 GLN HA . 11214 1 156 . 1 1 17 17 GLN HB2 H 1 1.605 0.030 . 1 . . . . 17 GLN HB2 . 11214 1 157 . 1 1 17 17 GLN HB3 H 1 1.605 0.030 . 1 . . . . 17 GLN HB3 . 11214 1 158 . 1 1 17 17 GLN HE21 H 1 6.690 0.030 . 2 . . . . 17 GLN HE21 . 11214 1 159 . 1 1 17 17 GLN HE22 H 1 7.452 0.030 . 2 . . . . 17 GLN HE22 . 11214 1 160 . 1 1 17 17 GLN HG2 H 1 2.080 0.030 . 1 . . . . 17 GLN HG2 . 11214 1 161 . 1 1 17 17 GLN HG3 H 1 2.080 0.030 . 1 . . . . 17 GLN HG3 . 11214 1 162 . 1 1 17 17 GLN C C 13 170.538 0.300 . 1 . . . . 17 GLN C . 11214 1 163 . 1 1 17 17 GLN CA C 13 50.437 0.300 . 1 . . . . 17 GLN CA . 11214 1 164 . 1 1 17 17 GLN CB C 13 26.916 0.300 . 1 . . . . 17 GLN CB . 11214 1 165 . 1 1 17 17 GLN CG C 13 30.822 0.300 . 1 . . . . 17 GLN CG . 11214 1 166 . 1 1 17 17 GLN N N 15 127.633 0.300 . 1 . . . . 17 GLN N . 11214 1 167 . 1 1 17 17 GLN NE2 N 15 112.652 0.300 . 1 . . . . 17 GLN NE2 . 11214 1 168 . 1 1 18 18 ALA H H 1 8.174 0.030 . 1 . . . . 18 ALA H . 11214 1 169 . 1 1 18 18 ALA HA H 1 3.770 0.030 . 1 . . . . 18 ALA HA . 11214 1 170 . 1 1 18 18 ALA HB1 H 1 1.227 0.030 . 1 . . . . 18 ALA HB . 11214 1 171 . 1 1 18 18 ALA HB2 H 1 1.227 0.030 . 1 . . . . 18 ALA HB . 11214 1 172 . 1 1 18 18 ALA HB3 H 1 1.227 0.030 . 1 . . . . 18 ALA HB . 11214 1 173 . 1 1 18 18 ALA C C 13 175.849 0.300 . 1 . . . . 18 ALA C . 11214 1 174 . 1 1 18 18 ALA CA C 13 50.427 0.300 . 1 . . . . 18 ALA CA . 11214 1 175 . 1 1 18 18 ALA CB C 13 17.656 0.300 . 1 . . . . 18 ALA CB . 11214 1 176 . 1 1 18 18 ALA N N 15 126.743 0.300 . 1 . . . . 18 ALA N . 11214 1 177 . 1 1 19 19 ARG H H 1 9.204 0.030 . 1 . . . . 19 ARG H . 11214 1 178 . 1 1 19 19 ARG HA H 1 4.186 0.030 . 1 . . . . 19 ARG HA . 11214 1 179 . 1 1 19 19 ARG HB2 H 1 1.828 0.030 . 2 . . . . 19 ARG HB2 . 11214 1 180 . 1 1 19 19 ARG HB3 H 1 1.724 0.030 . 2 . . . . 19 ARG HB3 . 11214 1 181 . 1 1 19 19 ARG HD2 H 1 3.070 0.030 . 1 . . . . 19 ARG HD2 . 11214 1 182 . 1 1 19 19 ARG HD3 H 1 3.070 0.030 . 1 . . . . 19 ARG HD3 . 11214 1 183 . 1 1 19 19 ARG HG2 H 1 1.710 0.030 . 2 . . . . 19 ARG HG2 . 11214 1 184 . 1 1 19 19 ARG HG3 H 1 1.557 0.030 . 2 . . . . 19 ARG HG3 . 11214 1 185 . 1 1 19 19 ARG C C 13 174.194 0.300 . 1 . . . . 19 ARG C . 11214 1 186 . 1 1 19 19 ARG CA C 13 54.305 0.300 . 1 . . . . 19 ARG CA . 11214 1 187 . 1 1 19 19 ARG CB C 13 29.494 0.300 . 1 . . . . 19 ARG CB . 11214 1 188 . 1 1 19 19 ARG CD C 13 40.670 0.300 . 1 . . . . 19 ARG CD . 11214 1 189 . 1 1 19 19 ARG CG C 13 24.344 0.300 . 1 . . . . 19 ARG CG . 11214 1 190 . 1 1 19 19 ARG N N 15 122.274 0.300 . 1 . . . . 19 ARG N . 11214 1 191 . 1 1 20 20 THR H H 1 7.955 0.030 . 1 . . . . 20 THR H . 11214 1 192 . 1 1 20 20 THR HA H 1 4.607 0.030 . 1 . . . . 20 THR HA . 11214 1 193 . 1 1 20 20 THR HB H 1 4.371 0.030 . 1 . . . . 20 THR HB . 11214 1 194 . 1 1 20 20 THR HG21 H 1 1.004 0.030 . 1 . . . . 20 THR HG2 . 11214 1 195 . 1 1 20 20 THR HG22 H 1 1.004 0.030 . 1 . . . . 20 THR HG2 . 11214 1 196 . 1 1 20 20 THR HG23 H 1 1.004 0.030 . 1 . . . . 20 THR HG2 . 11214 1 197 . 1 1 20 20 THR C C 13 172.105 0.300 . 1 . . . . 20 THR C . 11214 1 198 . 1 1 20 20 THR CA C 13 56.749 0.300 . 1 . . . . 20 THR CA . 11214 1 199 . 1 1 20 20 THR CB C 13 69.702 0.300 . 1 . . . . 20 THR CB . 11214 1 200 . 1 1 20 20 THR CG2 C 13 18.456 0.300 . 1 . . . . 20 THR CG2 . 11214 1 201 . 1 1 20 20 THR N N 15 109.824 0.300 . 1 . . . . 20 THR N . 11214 1 202 . 1 1 21 21 ALA H H 1 8.533 0.030 . 1 . . . . 21 ALA H . 11214 1 203 . 1 1 21 21 ALA HA H 1 4.273 0.030 . 1 . . . . 21 ALA HA . 11214 1 204 . 1 1 21 21 ALA HB1 H 1 1.399 0.030 . 1 . . . . 21 ALA HB . 11214 1 205 . 1 1 21 21 ALA HB2 H 1 1.399 0.030 . 1 . . . . 21 ALA HB . 11214 1 206 . 1 1 21 21 ALA HB3 H 1 1.399 0.030 . 1 . . . . 21 ALA HB . 11214 1 207 . 1 1 21 21 ALA C C 13 175.388 0.300 . 1 . . . . 21 ALA C . 11214 1 208 . 1 1 21 21 ALA CA C 13 51.272 0.300 . 1 . . . . 21 ALA CA . 11214 1 209 . 1 1 21 21 ALA CB C 13 16.151 0.300 . 1 . . . . 21 ALA CB . 11214 1 210 . 1 1 21 21 ALA N N 15 121.402 0.300 . 1 . . . . 21 ALA N . 11214 1 211 . 1 1 22 22 GLU H H 1 7.995 0.030 . 1 . . . . 22 GLU H . 11214 1 212 . 1 1 22 22 GLU HA H 1 4.395 0.030 . 1 . . . . 22 GLU HA . 11214 1 213 . 1 1 22 22 GLU HB2 H 1 1.878 0.030 . 2 . . . . 22 GLU HB2 . 11214 1 214 . 1 1 22 22 GLU HB3 H 1 2.184 0.030 . 2 . . . . 22 GLU HB3 . 11214 1 215 . 1 1 22 22 GLU HG2 H 1 2.241 0.030 . 2 . . . . 22 GLU HG2 . 11214 1 216 . 1 1 22 22 GLU HG3 H 1 2.182 0.030 . 2 . . . . 22 GLU HG3 . 11214 1 217 . 1 1 22 22 GLU C C 13 174.208 0.300 . 1 . . . . 22 GLU C . 11214 1 218 . 1 1 22 22 GLU CA C 13 54.215 0.300 . 1 . . . . 22 GLU CA . 11214 1 219 . 1 1 22 22 GLU CB C 13 28.106 0.300 . 1 . . . . 22 GLU CB . 11214 1 220 . 1 1 22 22 GLU CG C 13 34.362 0.300 . 1 . . . . 22 GLU CG . 11214 1 221 . 1 1 22 22 GLU N N 15 114.100 0.300 . 1 . . . . 22 GLU N . 11214 1 222 . 1 1 23 23 ASP H H 1 7.817 0.030 . 1 . . . . 23 ASP H . 11214 1 223 . 1 1 23 23 ASP HA H 1 5.338 0.030 . 1 . . . . 23 ASP HA . 11214 1 224 . 1 1 23 23 ASP HB2 H 1 2.973 0.030 . 1 . . . . 23 ASP HB2 . 11214 1 225 . 1 1 23 23 ASP HB3 H 1 2.973 0.030 . 1 . . . . 23 ASP HB3 . 11214 1 226 . 1 1 23 23 ASP C C 13 172.126 0.300 . 1 . . . . 23 ASP C . 11214 1 227 . 1 1 23 23 ASP CA C 13 50.931 0.300 . 1 . . . . 23 ASP CA . 11214 1 228 . 1 1 23 23 ASP CB C 13 40.604 0.300 . 1 . . . . 23 ASP CB . 11214 1 229 . 1 1 23 23 ASP N N 15 120.790 0.300 . 1 . . . . 23 ASP N . 11214 1 230 . 1 1 24 24 LEU H H 1 8.564 0.030 . 1 . . . . 24 LEU H . 11214 1 231 . 1 1 24 24 LEU HA H 1 4.550 0.030 . 1 . . . . 24 LEU HA . 11214 1 232 . 1 1 24 24 LEU HB2 H 1 0.749 0.030 . 2 . . . . 24 LEU HB2 . 11214 1 233 . 1 1 24 24 LEU HB3 H 1 1.716 0.030 . 2 . . . . 24 LEU HB3 . 11214 1 234 . 1 1 24 24 LEU HD11 H 1 0.483 0.030 . 1 . . . . 24 LEU HD1 . 11214 1 235 . 1 1 24 24 LEU HD12 H 1 0.483 0.030 . 1 . . . . 24 LEU HD1 . 11214 1 236 . 1 1 24 24 LEU HD13 H 1 0.483 0.030 . 1 . . . . 24 LEU HD1 . 11214 1 237 . 1 1 24 24 LEU HD21 H 1 0.751 0.030 . 1 . . . . 24 LEU HD2 . 11214 1 238 . 1 1 24 24 LEU HD22 H 1 0.751 0.030 . 1 . . . . 24 LEU HD2 . 11214 1 239 . 1 1 24 24 LEU HD23 H 1 0.751 0.030 . 1 . . . . 24 LEU HD2 . 11214 1 240 . 1 1 24 24 LEU HG H 1 1.605 0.030 . 1 . . . . 24 LEU HG . 11214 1 241 . 1 1 24 24 LEU C C 13 172.690 0.300 . 1 . . . . 24 LEU C . 11214 1 242 . 1 1 24 24 LEU CA C 13 50.977 0.300 . 1 . . . . 24 LEU CA . 11214 1 243 . 1 1 24 24 LEU CB C 13 43.256 0.300 . 1 . . . . 24 LEU CB . 11214 1 244 . 1 1 24 24 LEU CD1 C 13 22.186 0.300 . 2 . . . . 24 LEU CD1 . 11214 1 245 . 1 1 24 24 LEU CD2 C 13 21.634 0.300 . 2 . . . . 24 LEU CD2 . 11214 1 246 . 1 1 24 24 LEU CG C 13 23.631 0.300 . 1 . . . . 24 LEU CG . 11214 1 247 . 1 1 24 24 LEU N N 15 122.473 0.300 . 1 . . . . 24 LEU N . 11214 1 248 . 1 1 25 25 SER H H 1 7.969 0.030 . 1 . . . . 25 SER H . 11214 1 249 . 1 1 25 25 SER HA H 1 4.866 0.030 . 1 . . . . 25 SER HA . 11214 1 250 . 1 1 25 25 SER HB2 H 1 3.775 0.030 . 2 . . . . 25 SER HB2 . 11214 1 251 . 1 1 25 25 SER HB3 H 1 3.991 0.030 . 2 . . . . 25 SER HB3 . 11214 1 252 . 1 1 25 25 SER C C 13 171.975 0.300 . 1 . . . . 25 SER C . 11214 1 253 . 1 1 25 25 SER CA C 13 55.908 0.300 . 1 . . . . 25 SER CA . 11214 1 254 . 1 1 25 25 SER CB C 13 62.076 0.300 . 1 . . . . 25 SER CB . 11214 1 255 . 1 1 25 25 SER N N 15 116.532 0.300 . 1 . . . . 25 SER N . 11214 1 256 . 1 1 26 26 PHE H H 1 8.808 0.030 . 1 . . . . 26 PHE H . 11214 1 257 . 1 1 26 26 PHE HA H 1 5.022 0.030 . 1 . . . . 26 PHE HA . 11214 1 258 . 1 1 26 26 PHE HB2 H 1 3.423 0.030 . 2 . . . . 26 PHE HB2 . 11214 1 259 . 1 1 26 26 PHE HB3 H 1 3.253 0.030 . 2 . . . . 26 PHE HB3 . 11214 1 260 . 1 1 26 26 PHE HD1 H 1 6.941 0.030 . 1 . . . . 26 PHE HD1 . 11214 1 261 . 1 1 26 26 PHE HD2 H 1 6.941 0.030 . 1 . . . . 26 PHE HD2 . 11214 1 262 . 1 1 26 26 PHE HE1 H 1 7.388 0.030 . 1 . . . . 26 PHE HE1 . 11214 1 263 . 1 1 26 26 PHE HE2 H 1 7.388 0.030 . 1 . . . . 26 PHE HE2 . 11214 1 264 . 1 1 26 26 PHE HZ H 1 6.748 0.030 . 1 . . . . 26 PHE HZ . 11214 1 265 . 1 1 26 26 PHE C C 13 170.548 0.300 . 1 . . . . 26 PHE C . 11214 1 266 . 1 1 26 26 PHE CA C 13 54.099 0.300 . 1 . . . . 26 PHE CA . 11214 1 267 . 1 1 26 26 PHE CB C 13 37.704 0.300 . 1 . . . . 26 PHE CB . 11214 1 268 . 1 1 26 26 PHE CD1 C 13 130.752 0.300 . 1 . . . . 26 PHE CD1 . 11214 1 269 . 1 1 26 26 PHE CD2 C 13 130.752 0.300 . 1 . . . . 26 PHE CD2 . 11214 1 270 . 1 1 26 26 PHE CE1 C 13 129.138 0.300 . 1 . . . . 26 PHE CE1 . 11214 1 271 . 1 1 26 26 PHE CE2 C 13 129.138 0.300 . 1 . . . . 26 PHE CE2 . 11214 1 272 . 1 1 26 26 PHE CZ C 13 126.001 0.300 . 1 . . . . 26 PHE CZ . 11214 1 273 . 1 1 26 26 PHE N N 15 117.455 0.300 . 1 . . . . 26 PHE N . 11214 1 274 . 1 1 27 27 ARG H H 1 9.457 0.030 . 1 . . . . 27 ARG H . 11214 1 275 . 1 1 27 27 ARG HA H 1 4.966 0.030 . 1 . . . . 27 ARG HA . 11214 1 276 . 1 1 27 27 ARG HB2 H 1 1.819 0.030 . 2 . . . . 27 ARG HB2 . 11214 1 277 . 1 1 27 27 ARG HB3 H 1 1.734 0.030 . 2 . . . . 27 ARG HB3 . 11214 1 278 . 1 1 27 27 ARG HD2 H 1 3.136 0.030 . 1 . . . . 27 ARG HD2 . 11214 1 279 . 1 1 27 27 ARG HD3 H 1 3.136 0.030 . 1 . . . . 27 ARG HD3 . 11214 1 280 . 1 1 27 27 ARG HG2 H 1 1.555 0.030 . 2 . . . . 27 ARG HG2 . 11214 1 281 . 1 1 27 27 ARG HG3 H 1 1.693 0.030 . 2 . . . . 27 ARG HG3 . 11214 1 282 . 1 1 27 27 ARG C C 13 173.161 0.300 . 1 . . . . 27 ARG C . 11214 1 283 . 1 1 27 27 ARG CA C 13 50.614 0.300 . 1 . . . . 27 ARG CA . 11214 1 284 . 1 1 27 27 ARG CB C 13 30.303 0.300 . 1 . . . . 27 ARG CB . 11214 1 285 . 1 1 27 27 ARG CD C 13 40.437 0.300 . 1 . . . . 27 ARG CD . 11214 1 286 . 1 1 27 27 ARG CG C 13 24.453 0.300 . 1 . . . . 27 ARG CG . 11214 1 287 . 1 1 27 27 ARG N N 15 121.600 0.300 . 1 . . . . 27 ARG N . 11214 1 288 . 1 1 28 28 ALA H H 1 9.161 0.030 . 1 . . . . 28 ALA H . 11214 1 289 . 1 1 28 28 ALA HA H 1 3.428 0.030 . 1 . . . . 28 ALA HA . 11214 1 290 . 1 1 28 28 ALA HB1 H 1 1.085 0.030 . 1 . . . . 28 ALA HB . 11214 1 291 . 1 1 28 28 ALA HB2 H 1 1.085 0.030 . 1 . . . . 28 ALA HB . 11214 1 292 . 1 1 28 28 ALA HB3 H 1 1.085 0.030 . 1 . . . . 28 ALA HB . 11214 1 293 . 1 1 28 28 ALA C C 13 175.832 0.300 . 1 . . . . 28 ALA C . 11214 1 294 . 1 1 28 28 ALA CA C 13 51.282 0.300 . 1 . . . . 28 ALA CA . 11214 1 295 . 1 1 28 28 ALA CB C 13 15.224 0.300 . 1 . . . . 28 ALA CB . 11214 1 296 . 1 1 28 28 ALA N N 15 123.644 0.300 . 1 . . . . 28 ALA N . 11214 1 297 . 1 1 29 29 GLY H H 1 8.930 0.030 . 1 . . . . 29 GLY H . 11214 1 298 . 1 1 29 29 GLY HA2 H 1 4.389 0.030 . 2 . . . . 29 GLY HA2 . 11214 1 299 . 1 1 29 29 GLY HA3 H 1 3.377 0.030 . 2 . . . . 29 GLY HA3 . 11214 1 300 . 1 1 29 29 GLY C C 13 171.981 0.300 . 1 . . . . 29 GLY C . 11214 1 301 . 1 1 29 29 GLY CA C 13 42.271 0.300 . 1 . . . . 29 GLY CA . 11214 1 302 . 1 1 29 29 GLY N N 15 112.250 0.300 . 1 . . . . 29 GLY N . 11214 1 303 . 1 1 30 30 ASP H H 1 8.512 0.030 . 1 . . . . 30 ASP H . 11214 1 304 . 1 1 30 30 ASP HA H 1 4.583 0.030 . 1 . . . . 30 ASP HA . 11214 1 305 . 1 1 30 30 ASP HB2 H 1 2.651 0.030 . 2 . . . . 30 ASP HB2 . 11214 1 306 . 1 1 30 30 ASP HB3 H 1 2.955 0.030 . 2 . . . . 30 ASP HB3 . 11214 1 307 . 1 1 30 30 ASP C C 13 172.732 0.300 . 1 . . . . 30 ASP C . 11214 1 308 . 1 1 30 30 ASP CA C 13 53.100 0.300 . 1 . . . . 30 ASP CA . 11214 1 309 . 1 1 30 30 ASP CB C 13 38.822 0.300 . 1 . . . . 30 ASP CB . 11214 1 310 . 1 1 30 30 ASP N N 15 122.552 0.300 . 1 . . . . 30 ASP N . 11214 1 311 . 1 1 31 31 LYS H H 1 8.471 0.030 . 1 . . . . 31 LYS H . 11214 1 312 . 1 1 31 31 LYS HA H 1 4.914 0.030 . 1 . . . . 31 LYS HA . 11214 1 313 . 1 1 31 31 LYS HB2 H 1 1.719 0.030 . 1 . . . . 31 LYS HB2 . 11214 1 314 . 1 1 31 31 LYS HB3 H 1 1.719 0.030 . 1 . . . . 31 LYS HB3 . 11214 1 315 . 1 1 31 31 LYS HD2 H 1 1.464 0.030 . 2 . . . . 31 LYS HD2 . 11214 1 316 . 1 1 31 31 LYS HD3 H 1 1.420 0.030 . 2 . . . . 31 LYS HD3 . 11214 1 317 . 1 1 31 31 LYS HE2 H 1 2.823 0.030 . 1 . . . . 31 LYS HE2 . 11214 1 318 . 1 1 31 31 LYS HE3 H 1 2.823 0.030 . 1 . . . . 31 LYS HE3 . 11214 1 319 . 1 1 31 31 LYS HG2 H 1 1.318 0.030 . 2 . . . . 31 LYS HG2 . 11214 1 320 . 1 1 31 31 LYS HG3 H 1 1.527 0.030 . 2 . . . . 31 LYS HG3 . 11214 1 321 . 1 1 31 31 LYS C C 13 173.348 0.300 . 1 . . . . 31 LYS C . 11214 1 322 . 1 1 31 31 LYS CA C 13 52.705 0.300 . 1 . . . . 31 LYS CA . 11214 1 323 . 1 1 31 31 LYS CB C 13 30.700 0.300 . 1 . . . . 31 LYS CB . 11214 1 324 . 1 1 31 31 LYS CD C 13 25.931 0.300 . 1 . . . . 31 LYS CD . 11214 1 325 . 1 1 31 31 LYS CE C 13 39.510 0.300 . 1 . . . . 31 LYS CE . 11214 1 326 . 1 1 31 31 LYS CG C 13 22.703 0.300 . 1 . . . . 31 LYS CG . 11214 1 327 . 1 1 31 31 LYS N N 15 119.628 0.300 . 1 . . . . 31 LYS N . 11214 1 328 . 1 1 32 32 LEU H H 1 8.973 0.030 . 1 . . . . 32 LEU H . 11214 1 329 . 1 1 32 32 LEU HA H 1 4.904 0.030 . 1 . . . . 32 LEU HA . 11214 1 330 . 1 1 32 32 LEU HB2 H 1 1.045 0.030 . 2 . . . . 32 LEU HB2 . 11214 1 331 . 1 1 32 32 LEU HB3 H 1 0.904 0.030 . 2 . . . . 32 LEU HB3 . 11214 1 332 . 1 1 32 32 LEU HD11 H 1 -0.108 0.030 . 1 . . . . 32 LEU HD1 . 11214 1 333 . 1 1 32 32 LEU HD12 H 1 -0.108 0.030 . 1 . . . . 32 LEU HD1 . 11214 1 334 . 1 1 32 32 LEU HD13 H 1 -0.108 0.030 . 1 . . . . 32 LEU HD1 . 11214 1 335 . 1 1 32 32 LEU HD21 H 1 0.056 0.030 . 1 . . . . 32 LEU HD2 . 11214 1 336 . 1 1 32 32 LEU HD22 H 1 0.056 0.030 . 1 . . . . 32 LEU HD2 . 11214 1 337 . 1 1 32 32 LEU HD23 H 1 0.056 0.030 . 1 . . . . 32 LEU HD2 . 11214 1 338 . 1 1 32 32 LEU HG H 1 1.091 0.030 . 1 . . . . 32 LEU HG . 11214 1 339 . 1 1 32 32 LEU C C 13 172.470 0.300 . 1 . . . . 32 LEU C . 11214 1 340 . 1 1 32 32 LEU CA C 13 50.827 0.300 . 1 . . . . 32 LEU CA . 11214 1 341 . 1 1 32 32 LEU CB C 13 43.796 0.300 . 1 . . . . 32 LEU CB . 11214 1 342 . 1 1 32 32 LEU CD1 C 13 23.214 0.300 . 2 . . . . 32 LEU CD1 . 11214 1 343 . 1 1 32 32 LEU CD2 C 13 21.282 0.300 . 2 . . . . 32 LEU CD2 . 11214 1 344 . 1 1 32 32 LEU CG C 13 24.289 0.300 . 1 . . . . 32 LEU CG . 11214 1 345 . 1 1 32 32 LEU N N 15 123.797 0.300 . 1 . . . . 32 LEU N . 11214 1 346 . 1 1 33 33 GLN H H 1 8.914 0.030 . 1 . . . . 33 GLN H . 11214 1 347 . 1 1 33 33 GLN HA H 1 4.950 0.030 . 1 . . . . 33 GLN HA . 11214 1 348 . 1 1 33 33 GLN HB2 H 1 1.914 0.030 . 2 . . . . 33 GLN HB2 . 11214 1 349 . 1 1 33 33 GLN HB3 H 1 1.717 0.030 . 2 . . . . 33 GLN HB3 . 11214 1 350 . 1 1 33 33 GLN HE21 H 1 6.784 0.030 . 2 . . . . 33 GLN HE21 . 11214 1 351 . 1 1 33 33 GLN HE22 H 1 7.233 0.030 . 2 . . . . 33 GLN HE22 . 11214 1 352 . 1 1 33 33 GLN HG2 H 1 1.806 0.030 . 2 . . . . 33 GLN HG2 . 11214 1 353 . 1 1 33 33 GLN HG3 H 1 1.942 0.030 . 2 . . . . 33 GLN HG3 . 11214 1 354 . 1 1 33 33 GLN C C 13 172.858 0.300 . 1 . . . . 33 GLN C . 11214 1 355 . 1 1 33 33 GLN CA C 13 51.211 0.300 . 1 . . . . 33 GLN CA . 11214 1 356 . 1 1 33 33 GLN CB C 13 28.144 0.300 . 1 . . . . 33 GLN CB . 11214 1 357 . 1 1 33 33 GLN CG C 13 30.860 0.300 . 1 . . . . 33 GLN CG . 11214 1 358 . 1 1 33 33 GLN N N 15 121.674 0.300 . 1 . . . . 33 GLN N . 11214 1 359 . 1 1 33 33 GLN NE2 N 15 111.065 0.300 . 1 . . . . 33 GLN NE2 . 11214 1 360 . 1 1 34 34 VAL H H 1 8.862 0.030 . 1 . . . . 34 VAL H . 11214 1 361 . 1 1 34 34 VAL HA H 1 3.951 0.030 . 1 . . . . 34 VAL HA . 11214 1 362 . 1 1 34 34 VAL HB H 1 1.549 0.030 . 1 . . . . 34 VAL HB . 11214 1 363 . 1 1 34 34 VAL HG11 H 1 0.331 0.030 . 1 . . . . 34 VAL HG1 . 11214 1 364 . 1 1 34 34 VAL HG12 H 1 0.331 0.030 . 1 . . . . 34 VAL HG1 . 11214 1 365 . 1 1 34 34 VAL HG13 H 1 0.331 0.030 . 1 . . . . 34 VAL HG1 . 11214 1 366 . 1 1 34 34 VAL HG21 H 1 0.212 0.030 . 1 . . . . 34 VAL HG2 . 11214 1 367 . 1 1 34 34 VAL HG22 H 1 0.212 0.030 . 1 . . . . 34 VAL HG2 . 11214 1 368 . 1 1 34 34 VAL HG23 H 1 0.212 0.030 . 1 . . . . 34 VAL HG2 . 11214 1 369 . 1 1 34 34 VAL C C 13 172.651 0.300 . 1 . . . . 34 VAL C . 11214 1 370 . 1 1 34 34 VAL CA C 13 60.511 0.300 . 1 . . . . 34 VAL CA . 11214 1 371 . 1 1 34 34 VAL CB C 13 29.561 0.300 . 1 . . . . 34 VAL CB . 11214 1 372 . 1 1 34 34 VAL CG1 C 13 20.277 0.300 . 2 . . . . 34 VAL CG1 . 11214 1 373 . 1 1 34 34 VAL CG2 C 13 19.413 0.300 . 2 . . . . 34 VAL CG2 . 11214 1 374 . 1 1 34 34 VAL N N 15 127.337 0.300 . 1 . . . . 34 VAL N . 11214 1 375 . 1 1 35 35 LEU H H 1 9.037 0.030 . 1 . . . . 35 LEU H . 11214 1 376 . 1 1 35 35 LEU HA H 1 4.214 0.030 . 1 . . . . 35 LEU HA . 11214 1 377 . 1 1 35 35 LEU HB2 H 1 1.090 0.030 . 2 . . . . 35 LEU HB2 . 11214 1 378 . 1 1 35 35 LEU HB3 H 1 1.435 0.030 . 2 . . . . 35 LEU HB3 . 11214 1 379 . 1 1 35 35 LEU HD11 H 1 0.549 0.030 . 1 . . . . 35 LEU HD1 . 11214 1 380 . 1 1 35 35 LEU HD12 H 1 0.549 0.030 . 1 . . . . 35 LEU HD1 . 11214 1 381 . 1 1 35 35 LEU HD13 H 1 0.549 0.030 . 1 . . . . 35 LEU HD1 . 11214 1 382 . 1 1 35 35 LEU HD21 H 1 0.547 0.030 . 1 . . . . 35 LEU HD2 . 11214 1 383 . 1 1 35 35 LEU HD22 H 1 0.547 0.030 . 1 . . . . 35 LEU HD2 . 11214 1 384 . 1 1 35 35 LEU HD23 H 1 0.547 0.030 . 1 . . . . 35 LEU HD2 . 11214 1 385 . 1 1 35 35 LEU HG H 1 1.364 0.030 . 1 . . . . 35 LEU HG . 11214 1 386 . 1 1 35 35 LEU C C 13 174.319 0.300 . 1 . . . . 35 LEU C . 11214 1 387 . 1 1 35 35 LEU CA C 13 52.612 0.300 . 1 . . . . 35 LEU CA . 11214 1 388 . 1 1 35 35 LEU CB C 13 40.868 0.300 . 1 . . . . 35 LEU CB . 11214 1 389 . 1 1 35 35 LEU CD1 C 13 22.341 0.300 . 2 . . . . 35 LEU CD1 . 11214 1 390 . 1 1 35 35 LEU CD2 C 13 19.664 0.300 . 2 . . . . 35 LEU CD2 . 11214 1 391 . 1 1 35 35 LEU CG C 13 24.578 0.300 . 1 . . . . 35 LEU CG . 11214 1 392 . 1 1 35 35 LEU N N 15 127.337 0.300 . 1 . . . . 35 LEU N . 11214 1 393 . 1 1 36 36 ASP H H 1 7.056 0.030 . 1 . . . . 36 ASP H . 11214 1 394 . 1 1 36 36 ASP HA H 1 4.744 0.030 . 1 . . . . 36 ASP HA . 11214 1 395 . 1 1 36 36 ASP HB2 H 1 2.631 0.030 . 2 . . . . 36 ASP HB2 . 11214 1 396 . 1 1 36 36 ASP HB3 H 1 2.579 0.030 . 2 . . . . 36 ASP HB3 . 11214 1 397 . 1 1 36 36 ASP C C 13 173.570 0.300 . 1 . . . . 36 ASP C . 11214 1 398 . 1 1 36 36 ASP CA C 13 52.193 0.300 . 1 . . . . 36 ASP CA . 11214 1 399 . 1 1 36 36 ASP CB C 13 41.430 0.300 . 1 . . . . 36 ASP CB . 11214 1 400 . 1 1 36 36 ASP N N 15 115.766 0.300 . 1 . . . . 36 ASP N . 11214 1 401 . 1 1 37 37 THR H H 1 8.566 0.030 . 1 . . . . 37 THR H . 11214 1 402 . 1 1 37 37 THR HA H 1 4.054 0.030 . 1 . . . . 37 THR HA . 11214 1 403 . 1 1 37 37 THR HB H 1 3.849 0.030 . 1 . . . . 37 THR HB . 11214 1 404 . 1 1 37 37 THR HG21 H 1 -0.469 0.030 . 1 . . . . 37 THR HG2 . 11214 1 405 . 1 1 37 37 THR HG22 H 1 -0.469 0.030 . 1 . . . . 37 THR HG2 . 11214 1 406 . 1 1 37 37 THR HG23 H 1 -0.469 0.030 . 1 . . . . 37 THR HG2 . 11214 1 407 . 1 1 37 37 THR C C 13 171.866 0.300 . 1 . . . . 37 THR C . 11214 1 408 . 1 1 37 37 THR CA C 13 57.655 0.300 . 1 . . . . 37 THR CA . 11214 1 409 . 1 1 37 37 THR CB C 13 65.441 0.300 . 1 . . . . 37 THR CB . 11214 1 410 . 1 1 37 37 THR CG2 C 13 17.139 0.300 . 1 . . . . 37 THR CG2 . 11214 1 411 . 1 1 37 37 THR N N 15 118.721 0.300 . 1 . . . . 37 THR N . 11214 1 412 . 1 1 38 38 SER H H 1 8.419 0.030 . 1 . . . . 38 SER H . 11214 1 413 . 1 1 38 38 SER HA H 1 3.992 0.030 . 1 . . . . 38 SER HA . 11214 1 414 . 1 1 38 38 SER HB2 H 1 3.793 0.030 . 1 . . . . 38 SER HB2 . 11214 1 415 . 1 1 38 38 SER HB3 H 1 3.793 0.030 . 1 . . . . 38 SER HB3 . 11214 1 416 . 1 1 38 38 SER C C 13 172.344 0.300 . 1 . . . . 38 SER C . 11214 1 417 . 1 1 38 38 SER CA C 13 59.212 0.300 . 1 . . . . 38 SER CA . 11214 1 418 . 1 1 38 38 SER CB C 13 60.932 0.300 . 1 . . . . 38 SER CB . 11214 1 419 . 1 1 38 38 SER N N 15 118.373 0.300 . 1 . . . . 38 SER N . 11214 1 420 . 1 1 39 39 HIS H H 1 8.784 0.030 . 1 . . . . 39 HIS H . 11214 1 421 . 1 1 39 39 HIS HA H 1 4.742 0.030 . 1 . . . . 39 HIS HA . 11214 1 422 . 1 1 39 39 HIS HB2 H 1 3.467 0.030 . 2 . . . . 39 HIS HB2 . 11214 1 423 . 1 1 39 39 HIS HB3 H 1 3.390 0.030 . 2 . . . . 39 HIS HB3 . 11214 1 424 . 1 1 39 39 HIS HD2 H 1 7.194 0.030 . 1 . . . . 39 HIS HD2 . 11214 1 425 . 1 1 39 39 HIS HE1 H 1 8.085 0.030 . 1 . . . . 39 HIS HE1 . 11214 1 426 . 1 1 39 39 HIS C C 13 172.186 0.300 . 1 . . . . 39 HIS C . 11214 1 427 . 1 1 39 39 HIS CA C 13 52.612 0.300 . 1 . . . . 39 HIS CA . 11214 1 428 . 1 1 39 39 HIS CB C 13 27.185 0.300 . 1 . . . . 39 HIS CB . 11214 1 429 . 1 1 39 39 HIS CD2 C 13 117.274 0.300 . 1 . . . . 39 HIS CD2 . 11214 1 430 . 1 1 39 39 HIS CE1 C 13 134.721 0.300 . 1 . . . . 39 HIS CE1 . 11214 1 431 . 1 1 39 39 HIS N N 15 122.373 0.300 . 1 . . . . 39 HIS N . 11214 1 432 . 1 1 40 40 GLU H H 1 8.526 0.030 . 1 . . . . 40 GLU H . 11214 1 433 . 1 1 40 40 GLU HA H 1 4.193 0.030 . 1 . . . . 40 GLU HA . 11214 1 434 . 1 1 40 40 GLU HB2 H 1 1.953 0.030 . 1 . . . . 40 GLU HB2 . 11214 1 435 . 1 1 40 40 GLU HB3 H 1 1.953 0.030 . 1 . . . . 40 GLU HB3 . 11214 1 436 . 1 1 40 40 GLU HG2 H 1 2.203 0.030 . 1 . . . . 40 GLU HG2 . 11214 1 437 . 1 1 40 40 GLU HG3 H 1 2.203 0.030 . 1 . . . . 40 GLU HG3 . 11214 1 438 . 1 1 40 40 GLU C C 13 175.613 0.300 . 1 . . . . 40 GLU C . 11214 1 439 . 1 1 40 40 GLU CA C 13 55.726 0.300 . 1 . . . . 40 GLU CA . 11214 1 440 . 1 1 40 40 GLU CB C 13 26.937 0.300 . 1 . . . . 40 GLU CB . 11214 1 441 . 1 1 40 40 GLU CG C 13 33.474 0.300 . 1 . . . . 40 GLU CG . 11214 1 442 . 1 1 40 40 GLU N N 15 122.839 0.300 . 1 . . . . 40 GLU N . 11214 1 443 . 1 1 41 41 GLY H H 1 8.860 0.030 . 1 . . . . 41 GLY H . 11214 1 444 . 1 1 41 41 GLY HA2 H 1 3.764 0.030 . 2 . . . . 41 GLY HA2 . 11214 1 445 . 1 1 41 41 GLY HA3 H 1 3.570 0.030 . 2 . . . . 41 GLY HA3 . 11214 1 446 . 1 1 41 41 GLY C C 13 171.280 0.300 . 1 . . . . 41 GLY C . 11214 1 447 . 1 1 41 41 GLY CA C 13 43.188 0.300 . 1 . . . . 41 GLY CA . 11214 1 448 . 1 1 41 41 GLY N N 15 112.131 0.300 . 1 . . . . 41 GLY N . 11214 1 449 . 1 1 42 42 TRP H H 1 7.419 0.030 . 1 . . . . 42 TRP H . 11214 1 450 . 1 1 42 42 TRP HA H 1 5.215 0.030 . 1 . . . . 42 TRP HA . 11214 1 451 . 1 1 42 42 TRP HB2 H 1 2.801 0.030 . 2 . . . . 42 TRP HB2 . 11214 1 452 . 1 1 42 42 TRP HB3 H 1 2.496 0.030 . 2 . . . . 42 TRP HB3 . 11214 1 453 . 1 1 42 42 TRP HD1 H 1 6.803 0.030 . 1 . . . . 42 TRP HD1 . 11214 1 454 . 1 1 42 42 TRP HE1 H 1 9.705 0.030 . 1 . . . . 42 TRP HE1 . 11214 1 455 . 1 1 42 42 TRP HE3 H 1 7.060 0.030 . 1 . . . . 42 TRP HE3 . 11214 1 456 . 1 1 42 42 TRP HH2 H 1 7.102 0.030 . 1 . . . . 42 TRP HH2 . 11214 1 457 . 1 1 42 42 TRP HZ2 H 1 7.236 0.030 . 1 . . . . 42 TRP HZ2 . 11214 1 458 . 1 1 42 42 TRP HZ3 H 1 6.582 0.030 . 1 . . . . 42 TRP HZ3 . 11214 1 459 . 1 1 42 42 TRP C C 13 171.717 0.300 . 1 . . . . 42 TRP C . 11214 1 460 . 1 1 42 42 TRP CA C 13 53.376 0.300 . 1 . . . . 42 TRP CA . 11214 1 461 . 1 1 42 42 TRP CB C 13 29.090 0.300 . 1 . . . . 42 TRP CB . 11214 1 462 . 1 1 42 42 TRP CD1 C 13 124.025 0.300 . 1 . . . . 42 TRP CD1 . 11214 1 463 . 1 1 42 42 TRP CE3 C 13 117.533 0.300 . 1 . . . . 42 TRP CE3 . 11214 1 464 . 1 1 42 42 TRP CH2 C 13 122.049 0.300 . 1 . . . . 42 TRP CH2 . 11214 1 465 . 1 1 42 42 TRP CZ2 C 13 111.762 0.300 . 1 . . . . 42 TRP CZ2 . 11214 1 466 . 1 1 42 42 TRP CZ3 C 13 118.660 0.300 . 1 . . . . 42 TRP CZ3 . 11214 1 467 . 1 1 42 42 TRP N N 15 123.046 0.300 . 1 . . . . 42 TRP N . 11214 1 468 . 1 1 42 42 TRP NE1 N 15 128.320 0.300 . 1 . . . . 42 TRP NE1 . 11214 1 469 . 1 1 43 43 TRP H H 1 8.956 0.030 . 1 . . . . 43 TRP H . 11214 1 470 . 1 1 43 43 TRP HA H 1 5.347 0.030 . 1 . . . . 43 TRP HA . 11214 1 471 . 1 1 43 43 TRP HB2 H 1 2.798 0.030 . 2 . . . . 43 TRP HB2 . 11214 1 472 . 1 1 43 43 TRP HB3 H 1 2.685 0.030 . 2 . . . . 43 TRP HB3 . 11214 1 473 . 1 1 43 43 TRP HD1 H 1 7.154 0.030 . 1 . . . . 43 TRP HD1 . 11214 1 474 . 1 1 43 43 TRP HE1 H 1 9.875 0.030 . 1 . . . . 43 TRP HE1 . 11214 1 475 . 1 1 43 43 TRP HE3 H 1 6.486 0.030 . 1 . . . . 43 TRP HE3 . 11214 1 476 . 1 1 43 43 TRP HH2 H 1 6.990 0.030 . 1 . . . . 43 TRP HH2 . 11214 1 477 . 1 1 43 43 TRP HZ2 H 1 7.372 0.030 . 1 . . . . 43 TRP HZ2 . 11214 1 478 . 1 1 43 43 TRP HZ3 H 1 5.833 0.030 . 1 . . . . 43 TRP HZ3 . 11214 1 479 . 1 1 43 43 TRP C C 13 172.861 0.300 . 1 . . . . 43 TRP C . 11214 1 480 . 1 1 43 43 TRP CA C 13 50.218 0.300 . 1 . . . . 43 TRP CA . 11214 1 481 . 1 1 43 43 TRP CB C 13 29.423 0.300 . 1 . . . . 43 TRP CB . 11214 1 482 . 1 1 43 43 TRP CD1 C 13 120.824 0.300 . 1 . . . . 43 TRP CD1 . 11214 1 483 . 1 1 43 43 TRP CE3 C 13 116.710 0.300 . 1 . . . . 43 TRP CE3 . 11214 1 484 . 1 1 43 43 TRP CH2 C 13 122.001 0.300 . 1 . . . . 43 TRP CH2 . 11214 1 485 . 1 1 43 43 TRP CZ2 C 13 111.762 0.300 . 1 . . . . 43 TRP CZ2 . 11214 1 486 . 1 1 43 43 TRP CZ3 C 13 119.407 0.300 . 1 . . . . 43 TRP CZ3 . 11214 1 487 . 1 1 43 43 TRP N N 15 124.498 0.300 . 1 . . . . 43 TRP N . 11214 1 488 . 1 1 43 43 TRP NE1 N 15 128.271 0.300 . 1 . . . . 43 TRP NE1 . 11214 1 489 . 1 1 44 44 LEU H H 1 8.400 0.030 . 1 . . . . 44 LEU H . 11214 1 490 . 1 1 44 44 LEU HA H 1 4.018 0.030 . 1 . . . . 44 LEU HA . 11214 1 491 . 1 1 44 44 LEU HB2 H 1 1.598 0.030 . 2 . . . . 44 LEU HB2 . 11214 1 492 . 1 1 44 44 LEU HB3 H 1 1.134 0.030 . 2 . . . . 44 LEU HB3 . 11214 1 493 . 1 1 44 44 LEU HD11 H 1 0.628 0.030 . 1 . . . . 44 LEU HD1 . 11214 1 494 . 1 1 44 44 LEU HD12 H 1 0.628 0.030 . 1 . . . . 44 LEU HD1 . 11214 1 495 . 1 1 44 44 LEU HD13 H 1 0.628 0.030 . 1 . . . . 44 LEU HD1 . 11214 1 496 . 1 1 44 44 LEU HD21 H 1 0.212 0.030 . 1 . . . . 44 LEU HD2 . 11214 1 497 . 1 1 44 44 LEU HD22 H 1 0.212 0.030 . 1 . . . . 44 LEU HD2 . 11214 1 498 . 1 1 44 44 LEU HD23 H 1 0.212 0.030 . 1 . . . . 44 LEU HD2 . 11214 1 499 . 1 1 44 44 LEU HG H 1 1.100 0.030 . 1 . . . . 44 LEU HG . 11214 1 500 . 1 1 44 44 LEU C C 13 172.826 0.300 . 1 . . . . 44 LEU C . 11214 1 501 . 1 1 44 44 LEU CA C 13 52.193 0.300 . 1 . . . . 44 LEU CA . 11214 1 502 . 1 1 44 44 LEU CB C 13 40.952 0.300 . 1 . . . . 44 LEU CB . 11214 1 503 . 1 1 44 44 LEU CD1 C 13 22.659 0.300 . 2 . . . . 44 LEU CD1 . 11214 1 504 . 1 1 44 44 LEU CD2 C 13 18.999 0.300 . 2 . . . . 44 LEU CD2 . 11214 1 505 . 1 1 44 44 LEU CG C 13 24.419 0.300 . 1 . . . . 44 LEU CG . 11214 1 506 . 1 1 44 44 LEU N N 15 124.487 0.300 . 1 . . . . 44 LEU N . 11214 1 507 . 1 1 45 45 ALA H H 1 9.154 0.030 . 1 . . . . 45 ALA H . 11214 1 508 . 1 1 45 45 ALA HA H 1 5.236 0.030 . 1 . . . . 45 ALA HA . 11214 1 509 . 1 1 45 45 ALA HB1 H 1 1.060 0.030 . 1 . . . . 45 ALA HB . 11214 1 510 . 1 1 45 45 ALA HB2 H 1 1.060 0.030 . 1 . . . . 45 ALA HB . 11214 1 511 . 1 1 45 45 ALA HB3 H 1 1.060 0.030 . 1 . . . . 45 ALA HB . 11214 1 512 . 1 1 45 45 ALA C C 13 170.979 0.300 . 1 . . . . 45 ALA C . 11214 1 513 . 1 1 45 45 ALA CA C 13 48.032 0.300 . 1 . . . . 45 ALA CA . 11214 1 514 . 1 1 45 45 ALA CB C 13 22.545 0.300 . 1 . . . . 45 ALA CB . 11214 1 515 . 1 1 45 45 ALA N N 15 130.899 0.300 . 1 . . . . 45 ALA N . 11214 1 516 . 1 1 46 46 ARG H H 1 8.677 0.030 . 1 . . . . 46 ARG H . 11214 1 517 . 1 1 46 46 ARG HA H 1 5.210 0.030 . 1 . . . . 46 ARG HA . 11214 1 518 . 1 1 46 46 ARG HB2 H 1 1.772 0.030 . 2 . . . . 46 ARG HB2 . 11214 1 519 . 1 1 46 46 ARG HB3 H 1 1.694 0.030 . 2 . . . . 46 ARG HB3 . 11214 1 520 . 1 1 46 46 ARG HD2 H 1 3.110 0.030 . 1 . . . . 46 ARG HD2 . 11214 1 521 . 1 1 46 46 ARG HD3 H 1 3.110 0.030 . 1 . . . . 46 ARG HD3 . 11214 1 522 . 1 1 46 46 ARG HG2 H 1 1.597 0.030 . 2 . . . . 46 ARG HG2 . 11214 1 523 . 1 1 46 46 ARG HG3 H 1 1.466 0.030 . 2 . . . . 46 ARG HG3 . 11214 1 524 . 1 1 46 46 ARG C C 13 173.053 0.300 . 1 . . . . 46 ARG C . 11214 1 525 . 1 1 46 46 ARG CA C 13 51.380 0.300 . 1 . . . . 46 ARG CA . 11214 1 526 . 1 1 46 46 ARG CB C 13 32.423 0.300 . 1 . . . . 46 ARG CB . 11214 1 527 . 1 1 46 46 ARG CD C 13 41.282 0.300 . 1 . . . . 46 ARG CD . 11214 1 528 . 1 1 46 46 ARG CG C 13 24.090 0.300 . 1 . . . . 46 ARG CG . 11214 1 529 . 1 1 46 46 ARG N N 15 114.249 0.300 . 1 . . . . 46 ARG N . 11214 1 530 . 1 1 47 47 HIS H H 1 8.716 0.030 . 1 . . . . 47 HIS H . 11214 1 531 . 1 1 47 47 HIS HA H 1 4.440 0.030 . 1 . . . . 47 HIS HA . 11214 1 532 . 1 1 47 47 HIS HB2 H 1 2.946 0.030 . 2 . . . . 47 HIS HB2 . 11214 1 533 . 1 1 47 47 HIS HB3 H 1 3.259 0.030 . 2 . . . . 47 HIS HB3 . 11214 1 534 . 1 1 47 47 HIS HD2 H 1 7.119 0.030 . 1 . . . . 47 HIS HD2 . 11214 1 535 . 1 1 47 47 HIS HE1 H 1 8.313 0.030 . 1 . . . . 47 HIS HE1 . 11214 1 536 . 1 1 47 47 HIS C C 13 173.990 0.300 . 1 . . . . 47 HIS C . 11214 1 537 . 1 1 47 47 HIS CA C 13 56.075 0.300 . 1 . . . . 47 HIS CA . 11214 1 538 . 1 1 47 47 HIS CB C 13 30.238 0.300 . 1 . . . . 47 HIS CB . 11214 1 539 . 1 1 47 47 HIS CD2 C 13 114.540 0.300 . 1 . . . . 47 HIS CD2 . 11214 1 540 . 1 1 47 47 HIS CE1 C 13 136.633 0.300 . 1 . . . . 47 HIS CE1 . 11214 1 541 . 1 1 47 47 HIS N N 15 122.565 0.300 . 1 . . . . 47 HIS N . 11214 1 542 . 1 1 48 48 LEU H H 1 8.101 0.030 . 1 . . . . 48 LEU H . 11214 1 543 . 1 1 48 48 LEU HA H 1 4.307 0.030 . 1 . . . . 48 LEU HA . 11214 1 544 . 1 1 48 48 LEU HB2 H 1 1.559 0.030 . 2 . . . . 48 LEU HB2 . 11214 1 545 . 1 1 48 48 LEU HB3 H 1 1.442 0.030 . 2 . . . . 48 LEU HB3 . 11214 1 546 . 1 1 48 48 LEU HD11 H 1 0.746 0.030 . 1 . . . . 48 LEU HD1 . 11214 1 547 . 1 1 48 48 LEU HD12 H 1 0.746 0.030 . 1 . . . . 48 LEU HD1 . 11214 1 548 . 1 1 48 48 LEU HD13 H 1 0.746 0.030 . 1 . . . . 48 LEU HD1 . 11214 1 549 . 1 1 48 48 LEU HD21 H 1 0.769 0.030 . 1 . . . . 48 LEU HD2 . 11214 1 550 . 1 1 48 48 LEU HD22 H 1 0.769 0.030 . 1 . . . . 48 LEU HD2 . 11214 1 551 . 1 1 48 48 LEU HD23 H 1 0.769 0.030 . 1 . . . . 48 LEU HD2 . 11214 1 552 . 1 1 48 48 LEU HG H 1 1.567 0.030 . 1 . . . . 48 LEU HG . 11214 1 553 . 1 1 48 48 LEU C C 13 174.895 0.300 . 1 . . . . 48 LEU C . 11214 1 554 . 1 1 48 48 LEU CA C 13 53.215 0.300 . 1 . . . . 48 LEU CA . 11214 1 555 . 1 1 48 48 LEU CB C 13 40.288 0.300 . 1 . . . . 48 LEU CB . 11214 1 556 . 1 1 48 48 LEU CD1 C 13 22.848 0.300 . 2 . . . . 48 LEU CD1 . 11214 1 557 . 1 1 48 48 LEU CD2 C 13 21.171 0.300 . 2 . . . . 48 LEU CD2 . 11214 1 558 . 1 1 48 48 LEU CG C 13 24.711 0.300 . 1 . . . . 48 LEU CG . 11214 1 559 . 1 1 48 48 LEU N N 15 121.711 0.300 . 1 . . . . 48 LEU N . 11214 1 560 . 1 1 49 49 GLU H H 1 8.499 0.030 . 1 . . . . 49 GLU H . 11214 1 561 . 1 1 49 49 GLU HA H 1 4.337 0.030 . 1 . . . . 49 GLU HA . 11214 1 562 . 1 1 49 49 GLU HB2 H 1 2.009 0.030 . 2 . . . . 49 GLU HB2 . 11214 1 563 . 1 1 49 49 GLU HB3 H 1 1.903 0.030 . 2 . . . . 49 GLU HB3 . 11214 1 564 . 1 1 49 49 GLU HG2 H 1 2.162 0.030 . 2 . . . . 49 GLU HG2 . 11214 1 565 . 1 1 49 49 GLU HG3 H 1 2.129 0.030 . 2 . . . . 49 GLU HG3 . 11214 1 566 . 1 1 49 49 GLU C C 13 173.218 0.300 . 1 . . . . 49 GLU C . 11214 1 567 . 1 1 49 49 GLU CA C 13 53.382 0.300 . 1 . . . . 49 GLU CA . 11214 1 568 . 1 1 49 49 GLU CB C 13 28.515 0.300 . 1 . . . . 49 GLU CB . 11214 1 569 . 1 1 49 49 GLU CG C 13 33.872 0.300 . 1 . . . . 49 GLU CG . 11214 1 570 . 1 1 49 49 GLU N N 15 119.643 0.300 . 1 . . . . 49 GLU N . 11214 1 571 . 1 1 50 50 LYS H H 1 8.262 0.030 . 1 . . . . 50 LYS H . 11214 1 572 . 1 1 50 50 LYS HA H 1 4.221 0.030 . 1 . . . . 50 LYS HA . 11214 1 573 . 1 1 50 50 LYS HB2 H 1 1.671 0.030 . 2 . . . . 50 LYS HB2 . 11214 1 574 . 1 1 50 50 LYS HB3 H 1 1.579 0.030 . 2 . . . . 50 LYS HB3 . 11214 1 575 . 1 1 50 50 LYS HD2 H 1 1.523 0.030 . 1 . . . . 50 LYS HD2 . 11214 1 576 . 1 1 50 50 LYS HD3 H 1 1.523 0.030 . 1 . . . . 50 LYS HD3 . 11214 1 577 . 1 1 50 50 LYS HE2 H 1 2.824 0.030 . 1 . . . . 50 LYS HE2 . 11214 1 578 . 1 1 50 50 LYS HE3 H 1 2.824 0.030 . 1 . . . . 50 LYS HE3 . 11214 1 579 . 1 1 50 50 LYS HG2 H 1 1.261 0.030 . 1 . . . . 50 LYS HG2 . 11214 1 580 . 1 1 50 50 LYS HG3 H 1 1.261 0.030 . 1 . . . . 50 LYS HG3 . 11214 1 581 . 1 1 50 50 LYS C C 13 173.652 0.300 . 1 . . . . 50 LYS C . 11214 1 582 . 1 1 50 50 LYS CA C 13 53.628 0.300 . 1 . . . . 50 LYS CA . 11214 1 583 . 1 1 50 50 LYS CB C 13 30.443 0.300 . 1 . . . . 50 LYS CB . 11214 1 584 . 1 1 50 50 LYS CD C 13 26.312 0.300 . 1 . . . . 50 LYS CD . 11214 1 585 . 1 1 50 50 LYS CE C 13 39.597 0.300 . 1 . . . . 50 LYS CE . 11214 1 586 . 1 1 50 50 LYS CG C 13 22.010 0.300 . 1 . . . . 50 LYS CG . 11214 1 587 . 1 1 50 50 LYS N N 15 122.479 0.300 . 1 . . . . 50 LYS N . 11214 1 588 . 1 1 51 51 LYS H H 1 8.299 0.030 . 1 . . . . 51 LYS H . 11214 1 589 . 1 1 51 51 LYS HA H 1 4.287 0.030 . 1 . . . . 51 LYS HA . 11214 1 590 . 1 1 51 51 LYS HB2 H 1 1.723 0.030 . 2 . . . . 51 LYS HB2 . 11214 1 591 . 1 1 51 51 LYS HB3 H 1 1.643 0.030 . 2 . . . . 51 LYS HB3 . 11214 1 592 . 1 1 51 51 LYS HD2 H 1 1.525 0.030 . 1 . . . . 51 LYS HD2 . 11214 1 593 . 1 1 51 51 LYS HD3 H 1 1.525 0.030 . 1 . . . . 51 LYS HD3 . 11214 1 594 . 1 1 51 51 LYS HE2 H 1 2.824 0.030 . 1 . . . . 51 LYS HE2 . 11214 1 595 . 1 1 51 51 LYS HE3 H 1 2.824 0.030 . 1 . . . . 51 LYS HE3 . 11214 1 596 . 1 1 51 51 LYS HG2 H 1 1.261 0.030 . 1 . . . . 51 LYS HG2 . 11214 1 597 . 1 1 51 51 LYS HG3 H 1 1.261 0.030 . 1 . . . . 51 LYS HG3 . 11214 1 598 . 1 1 51 51 LYS C C 13 174.403 0.300 . 1 . . . . 51 LYS C . 11214 1 599 . 1 1 51 51 LYS CA C 13 53.367 0.300 . 1 . . . . 51 LYS CA . 11214 1 600 . 1 1 51 51 LYS CB C 13 30.679 0.300 . 1 . . . . 51 LYS CB . 11214 1 601 . 1 1 51 51 LYS CD C 13 26.307 0.300 . 1 . . . . 51 LYS CD . 11214 1 602 . 1 1 51 51 LYS CE C 13 39.507 0.300 . 1 . . . . 51 LYS CE . 11214 1 603 . 1 1 51 51 LYS CG C 13 21.859 0.300 . 1 . . . . 51 LYS CG . 11214 1 604 . 1 1 51 51 LYS N N 15 122.863 0.300 . 1 . . . . 51 LYS N . 11214 1 605 . 1 1 52 52 GLY H H 1 8.376 0.030 . 1 . . . . 52 GLY H . 11214 1 606 . 1 1 52 52 GLY HA2 H 1 3.923 0.030 . 1 . . . . 52 GLY HA2 . 11214 1 607 . 1 1 52 52 GLY HA3 H 1 3.923 0.030 . 1 . . . . 52 GLY HA3 . 11214 1 608 . 1 1 52 52 GLY C C 13 171.717 0.300 . 1 . . . . 52 GLY C . 11214 1 609 . 1 1 52 52 GLY CA C 13 42.688 0.300 . 1 . . . . 52 GLY CA . 11214 1 610 . 1 1 52 52 GLY N N 15 109.839 0.300 . 1 . . . . 52 GLY N . 11214 1 611 . 1 1 53 53 THR H H 1 8.016 0.030 . 1 . . . . 53 THR H . 11214 1 612 . 1 1 53 53 THR HA H 1 4.279 0.030 . 1 . . . . 53 THR HA . 11214 1 613 . 1 1 53 53 THR HB H 1 4.188 0.030 . 1 . . . . 53 THR HB . 11214 1 614 . 1 1 53 53 THR HG21 H 1 1.103 0.030 . 1 . . . . 53 THR HG2 . 11214 1 615 . 1 1 53 53 THR HG22 H 1 1.103 0.030 . 1 . . . . 53 THR HG2 . 11214 1 616 . 1 1 53 53 THR HG23 H 1 1.103 0.030 . 1 . . . . 53 THR HG2 . 11214 1 617 . 1 1 53 53 THR C C 13 172.756 0.300 . 1 . . . . 53 THR C . 11214 1 618 . 1 1 53 53 THR CA C 13 59.142 0.300 . 1 . . . . 53 THR CA . 11214 1 619 . 1 1 53 53 THR CB C 13 67.307 0.300 . 1 . . . . 53 THR CB . 11214 1 620 . 1 1 53 53 THR CG2 C 13 18.928 0.300 . 1 . . . . 53 THR CG2 . 11214 1 621 . 1 1 53 53 THR N N 15 112.511 0.300 . 1 . . . . 53 THR N . 11214 1 622 . 1 1 54 54 GLY H H 1 8.391 0.030 . 1 . . . . 54 GLY H . 11214 1 623 . 1 1 54 54 GLY HA2 H 1 3.885 0.030 . 1 . . . . 54 GLY HA2 . 11214 1 624 . 1 1 54 54 GLY HA3 H 1 3.885 0.030 . 1 . . . . 54 GLY HA3 . 11214 1 625 . 1 1 54 54 GLY C C 13 171.674 0.300 . 1 . . . . 54 GLY C . 11214 1 626 . 1 1 54 54 GLY CA C 13 42.776 0.300 . 1 . . . . 54 GLY CA . 11214 1 627 . 1 1 54 54 GLY N N 15 110.870 0.300 . 1 . . . . 54 GLY N . 11214 1 628 . 1 1 55 55 LEU H H 1 8.157 0.030 . 1 . . . . 55 LEU H . 11214 1 629 . 1 1 55 55 LEU HA H 1 4.239 0.030 . 1 . . . . 55 LEU HA . 11214 1 630 . 1 1 55 55 LEU HB2 H 1 1.550 0.030 . 2 . . . . 55 LEU HB2 . 11214 1 631 . 1 1 55 55 LEU HB3 H 1 1.519 0.030 . 2 . . . . 55 LEU HB3 . 11214 1 632 . 1 1 55 55 LEU HD11 H 1 0.818 0.030 . 1 . . . . 55 LEU HD1 . 11214 1 633 . 1 1 55 55 LEU HD12 H 1 0.818 0.030 . 1 . . . . 55 LEU HD1 . 11214 1 634 . 1 1 55 55 LEU HD13 H 1 0.818 0.030 . 1 . . . . 55 LEU HD1 . 11214 1 635 . 1 1 55 55 LEU HD21 H 1 0.767 0.030 . 1 . . . . 55 LEU HD2 . 11214 1 636 . 1 1 55 55 LEU HD22 H 1 0.767 0.030 . 1 . . . . 55 LEU HD2 . 11214 1 637 . 1 1 55 55 LEU HD23 H 1 0.767 0.030 . 1 . . . . 55 LEU HD2 . 11214 1 638 . 1 1 55 55 LEU HG H 1 1.513 0.030 . 1 . . . . 55 LEU HG . 11214 1 639 . 1 1 55 55 LEU C C 13 175.612 0.300 . 1 . . . . 55 LEU C . 11214 1 640 . 1 1 55 55 LEU CA C 13 52.938 0.300 . 1 . . . . 55 LEU CA . 11214 1 641 . 1 1 55 55 LEU CB C 13 39.586 0.300 . 1 . . . . 55 LEU CB . 11214 1 642 . 1 1 55 55 LEU CD1 C 13 22.211 0.300 . 2 . . . . 55 LEU CD1 . 11214 1 643 . 1 1 55 55 LEU CD2 C 13 20.879 0.300 . 2 . . . . 55 LEU CD2 . 11214 1 644 . 1 1 55 55 LEU CG C 13 24.308 0.300 . 1 . . . . 55 LEU CG . 11214 1 645 . 1 1 55 55 LEU N N 15 121.911 0.300 . 1 . . . . 55 LEU N . 11214 1 646 . 1 1 56 56 GLY H H 1 8.441 0.030 . 1 . . . . 56 GLY H . 11214 1 647 . 1 1 56 56 GLY HA2 H 1 3.855 0.030 . 1 . . . . 56 GLY HA2 . 11214 1 648 . 1 1 56 56 GLY HA3 H 1 3.855 0.030 . 1 . . . . 56 GLY HA3 . 11214 1 649 . 1 1 56 56 GLY C C 13 171.642 0.300 . 1 . . . . 56 GLY C . 11214 1 650 . 1 1 56 56 GLY CA C 13 42.944 0.300 . 1 . . . . 56 GLY CA . 11214 1 651 . 1 1 56 56 GLY N N 15 109.809 0.300 . 1 . . . . 56 GLY N . 11214 1 652 . 1 1 57 57 GLN H H 1 7.977 0.030 . 1 . . . . 57 GLN H . 11214 1 653 . 1 1 57 57 GLN HA H 1 4.272 0.030 . 1 . . . . 57 GLN HA . 11214 1 654 . 1 1 57 57 GLN HB2 H 1 2.013 0.030 . 2 . . . . 57 GLN HB2 . 11214 1 655 . 1 1 57 57 GLN HB3 H 1 1.867 0.030 . 2 . . . . 57 GLN HB3 . 11214 1 656 . 1 1 57 57 GLN HE21 H 1 6.765 0.030 . 2 . . . . 57 GLN HE21 . 11214 1 657 . 1 1 57 57 GLN HE22 H 1 7.421 0.030 . 2 . . . . 57 GLN HE22 . 11214 1 658 . 1 1 57 57 GLN HG2 H 1 2.229 0.030 . 1 . . . . 57 GLN HG2 . 11214 1 659 . 1 1 57 57 GLN HG3 H 1 2.229 0.030 . 1 . . . . 57 GLN HG3 . 11214 1 660 . 1 1 57 57 GLN C C 13 173.114 0.300 . 1 . . . . 57 GLN C . 11214 1 661 . 1 1 57 57 GLN CA C 13 53.007 0.300 . 1 . . . . 57 GLN CA . 11214 1 662 . 1 1 57 57 GLN CB C 13 27.199 0.300 . 1 . . . . 57 GLN CB . 11214 1 663 . 1 1 57 57 GLN CG C 13 31.117 0.300 . 1 . . . . 57 GLN CG . 11214 1 664 . 1 1 57 57 GLN N N 15 119.164 0.300 . 1 . . . . 57 GLN N . 11214 1 665 . 1 1 57 57 GLN NE2 N 15 112.095 0.300 . 1 . . . . 57 GLN NE2 . 11214 1 666 . 1 1 58 58 GLN H H 1 8.481 0.030 . 1 . . . . 58 GLN H . 11214 1 667 . 1 1 58 58 GLN HA H 1 4.347 0.030 . 1 . . . . 58 GLN HA . 11214 1 668 . 1 1 58 58 GLN HB2 H 1 1.992 0.030 . 2 . . . . 58 GLN HB2 . 11214 1 669 . 1 1 58 58 GLN HB3 H 1 2.111 0.030 . 2 . . . . 58 GLN HB3 . 11214 1 670 . 1 1 58 58 GLN HE21 H 1 6.810 0.030 . 2 . . . . 58 GLN HE21 . 11214 1 671 . 1 1 58 58 GLN HE22 H 1 7.454 0.030 . 2 . . . . 58 GLN HE22 . 11214 1 672 . 1 1 58 58 GLN HG2 H 1 2.302 0.030 . 2 . . . . 58 GLN HG2 . 11214 1 673 . 1 1 58 58 GLN HG3 H 1 2.385 0.030 . 2 . . . . 58 GLN HG3 . 11214 1 674 . 1 1 58 58 GLN C C 13 173.119 0.300 . 1 . . . . 58 GLN C . 11214 1 675 . 1 1 58 58 GLN CA C 13 53.355 0.300 . 1 . . . . 58 GLN CA . 11214 1 676 . 1 1 58 58 GLN CB C 13 26.717 0.300 . 1 . . . . 58 GLN CB . 11214 1 677 . 1 1 58 58 GLN CG C 13 31.309 0.300 . 1 . . . . 58 GLN CG . 11214 1 678 . 1 1 58 58 GLN N N 15 122.031 0.300 . 1 . . . . 58 GLN N . 11214 1 679 . 1 1 58 58 GLN NE2 N 15 111.940 0.300 . 1 . . . . 58 GLN NE2 . 11214 1 680 . 1 1 59 59 LEU H H 1 8.481 0.030 . 1 . . . . 59 LEU H . 11214 1 681 . 1 1 59 59 LEU HA H 1 4.440 0.030 . 1 . . . . 59 LEU HA . 11214 1 682 . 1 1 59 59 LEU HB2 H 1 1.676 0.030 . 2 . . . . 59 LEU HB2 . 11214 1 683 . 1 1 59 59 LEU HB3 H 1 1.617 0.030 . 2 . . . . 59 LEU HB3 . 11214 1 684 . 1 1 59 59 LEU HD11 H 1 0.878 0.030 . 1 . . . . 59 LEU HD1 . 11214 1 685 . 1 1 59 59 LEU HD12 H 1 0.878 0.030 . 1 . . . . 59 LEU HD1 . 11214 1 686 . 1 1 59 59 LEU HD13 H 1 0.878 0.030 . 1 . . . . 59 LEU HD1 . 11214 1 687 . 1 1 59 59 LEU HD21 H 1 0.813 0.030 . 1 . . . . 59 LEU HD2 . 11214 1 688 . 1 1 59 59 LEU HD22 H 1 0.813 0.030 . 1 . . . . 59 LEU HD2 . 11214 1 689 . 1 1 59 59 LEU HD23 H 1 0.813 0.030 . 1 . . . . 59 LEU HD2 . 11214 1 690 . 1 1 59 59 LEU HG H 1 1.617 0.030 . 1 . . . . 59 LEU HG . 11214 1 691 . 1 1 59 59 LEU C C 13 172.933 0.300 . 1 . . . . 59 LEU C . 11214 1 692 . 1 1 59 59 LEU CA C 13 53.127 0.300 . 1 . . . . 59 LEU CA . 11214 1 693 . 1 1 59 59 LEU CB C 13 40.625 0.300 . 1 . . . . 59 LEU CB . 11214 1 694 . 1 1 59 59 LEU CD1 C 13 22.511 0.300 . 2 . . . . 59 LEU CD1 . 11214 1 695 . 1 1 59 59 LEU CD2 C 13 20.907 0.300 . 2 . . . . 59 LEU CD2 . 11214 1 696 . 1 1 59 59 LEU CG C 13 24.430 0.300 . 1 . . . . 59 LEU CG . 11214 1 697 . 1 1 59 59 LEU N N 15 124.059 0.300 . 1 . . . . 59 LEU N . 11214 1 698 . 1 1 60 60 GLN H H 1 7.911 0.030 . 1 . . . . 60 GLN H . 11214 1 699 . 1 1 60 60 GLN HA H 1 5.444 0.030 . 1 . . . . 60 GLN HA . 11214 1 700 . 1 1 60 60 GLN HB2 H 1 1.876 0.030 . 2 . . . . 60 GLN HB2 . 11214 1 701 . 1 1 60 60 GLN HB3 H 1 1.821 0.030 . 2 . . . . 60 GLN HB3 . 11214 1 702 . 1 1 60 60 GLN HE21 H 1 6.689 0.030 . 2 . . . . 60 GLN HE21 . 11214 1 703 . 1 1 60 60 GLN HE22 H 1 7.298 0.030 . 2 . . . . 60 GLN HE22 . 11214 1 704 . 1 1 60 60 GLN HG2 H 1 2.070 0.030 . 1 . . . . 60 GLN HG2 . 11214 1 705 . 1 1 60 60 GLN HG3 H 1 2.070 0.030 . 1 . . . . 60 GLN HG3 . 11214 1 706 . 1 1 60 60 GLN C C 13 172.138 0.300 . 1 . . . . 60 GLN C . 11214 1 707 . 1 1 60 60 GLN CA C 13 51.148 0.300 . 1 . . . . 60 GLN CA . 11214 1 708 . 1 1 60 60 GLN CB C 13 30.171 0.300 . 1 . . . . 60 GLN CB . 11214 1 709 . 1 1 60 60 GLN CG C 13 30.743 0.300 . 1 . . . . 60 GLN CG . 11214 1 710 . 1 1 60 60 GLN N N 15 116.993 0.300 . 1 . . . . 60 GLN N . 11214 1 711 . 1 1 60 60 GLN NE2 N 15 111.295 0.300 . 1 . . . . 60 GLN NE2 . 11214 1 712 . 1 1 61 61 GLY H H 1 8.852 0.030 . 1 . . . . 61 GLY H . 11214 1 713 . 1 1 61 61 GLY HA2 H 1 3.895 0.030 . 2 . . . . 61 GLY HA2 . 11214 1 714 . 1 1 61 61 GLY HA3 H 1 3.802 0.030 . 2 . . . . 61 GLY HA3 . 11214 1 715 . 1 1 61 61 GLY C C 13 168.646 0.300 . 1 . . . . 61 GLY C . 11214 1 716 . 1 1 61 61 GLY CA C 13 42.700 0.300 . 1 . . . . 61 GLY CA . 11214 1 717 . 1 1 61 61 GLY N N 15 109.137 0.300 . 1 . . . . 61 GLY N . 11214 1 718 . 1 1 62 62 TYR H H 1 8.943 0.030 . 1 . . . . 62 TYR H . 11214 1 719 . 1 1 62 62 TYR HA H 1 5.181 0.030 . 1 . . . . 62 TYR HA . 11214 1 720 . 1 1 62 62 TYR HB2 H 1 2.798 0.030 . 2 . . . . 62 TYR HB2 . 11214 1 721 . 1 1 62 62 TYR HB3 H 1 2.584 0.030 . 2 . . . . 62 TYR HB3 . 11214 1 722 . 1 1 62 62 TYR HD1 H 1 6.814 0.030 . 1 . . . . 62 TYR HD1 . 11214 1 723 . 1 1 62 62 TYR HD2 H 1 6.814 0.030 . 1 . . . . 62 TYR HD2 . 11214 1 724 . 1 1 62 62 TYR HE1 H 1 6.699 0.030 . 1 . . . . 62 TYR HE1 . 11214 1 725 . 1 1 62 62 TYR HE2 H 1 6.699 0.030 . 1 . . . . 62 TYR HE2 . 11214 1 726 . 1 1 62 62 TYR C C 13 173.647 0.300 . 1 . . . . 62 TYR C . 11214 1 727 . 1 1 62 62 TYR CA C 13 57.138 0.300 . 1 . . . . 62 TYR CA . 11214 1 728 . 1 1 62 62 TYR CB C 13 37.696 0.300 . 1 . . . . 62 TYR CB . 11214 1 729 . 1 1 62 62 TYR CD1 C 13 130.066 0.300 . 1 . . . . 62 TYR CD1 . 11214 1 730 . 1 1 62 62 TYR CD2 C 13 130.066 0.300 . 1 . . . . 62 TYR CD2 . 11214 1 731 . 1 1 62 62 TYR CE1 C 13 115.667 0.300 . 1 . . . . 62 TYR CE1 . 11214 1 732 . 1 1 62 62 TYR CE2 C 13 115.667 0.300 . 1 . . . . 62 TYR CE2 . 11214 1 733 . 1 1 62 62 TYR N N 15 119.752 0.300 . 1 . . . . 62 TYR N . 11214 1 734 . 1 1 63 63 ILE H H 1 9.253 0.030 . 1 . . . . 63 ILE H . 11214 1 735 . 1 1 63 63 ILE HA H 1 4.914 0.030 . 1 . . . . 63 ILE HA . 11214 1 736 . 1 1 63 63 ILE HB H 1 1.468 0.030 . 1 . . . . 63 ILE HB . 11214 1 737 . 1 1 63 63 ILE HD11 H 1 0.220 0.030 . 1 . . . . 63 ILE HD1 . 11214 1 738 . 1 1 63 63 ILE HD12 H 1 0.220 0.030 . 1 . . . . 63 ILE HD1 . 11214 1 739 . 1 1 63 63 ILE HD13 H 1 0.220 0.030 . 1 . . . . 63 ILE HD1 . 11214 1 740 . 1 1 63 63 ILE HG12 H 1 0.921 0.030 . 2 . . . . 63 ILE HG12 . 11214 1 741 . 1 1 63 63 ILE HG13 H 1 1.187 0.030 . 2 . . . . 63 ILE HG13 . 11214 1 742 . 1 1 63 63 ILE HG21 H 1 0.922 0.030 . 1 . . . . 63 ILE HG2 . 11214 1 743 . 1 1 63 63 ILE HG22 H 1 0.922 0.030 . 1 . . . . 63 ILE HG2 . 11214 1 744 . 1 1 63 63 ILE HG23 H 1 0.922 0.030 . 1 . . . . 63 ILE HG2 . 11214 1 745 . 1 1 63 63 ILE C C 13 169.507 0.300 . 1 . . . . 63 ILE C . 11214 1 746 . 1 1 63 63 ILE CA C 13 54.180 0.300 . 1 . . . . 63 ILE CA . 11214 1 747 . 1 1 63 63 ILE CB C 13 37.561 0.300 . 1 . . . . 63 ILE CB . 11214 1 748 . 1 1 63 63 ILE CD1 C 13 12.557 0.300 . 1 . . . . 63 ILE CD1 . 11214 1 749 . 1 1 63 63 ILE CG1 C 13 22.310 0.300 . 1 . . . . 63 ILE CG1 . 11214 1 750 . 1 1 63 63 ILE CG2 C 13 18.647 0.300 . 1 . . . . 63 ILE CG2 . 11214 1 751 . 1 1 63 63 ILE N N 15 112.378 0.300 . 1 . . . . 63 ILE N . 11214 1 752 . 1 1 64 64 PRO HA H 1 3.782 0.030 . 1 . . . . 64 PRO HA . 11214 1 753 . 1 1 64 64 PRO HB2 H 1 1.117 0.030 . 2 . . . . 64 PRO HB2 . 11214 1 754 . 1 1 64 64 PRO HB3 H 1 1.296 0.030 . 2 . . . . 64 PRO HB3 . 11214 1 755 . 1 1 64 64 PRO HD2 H 1 2.678 0.030 . 1 . . . . 64 PRO HD2 . 11214 1 756 . 1 1 64 64 PRO HD3 H 1 2.678 0.030 . 1 . . . . 64 PRO HD3 . 11214 1 757 . 1 1 64 64 PRO HG2 H 1 0.574 0.030 . 1 . . . . 64 PRO HG2 . 11214 1 758 . 1 1 64 64 PRO HG3 H 1 0.574 0.030 . 1 . . . . 64 PRO HG3 . 11214 1 759 . 1 1 64 64 PRO C C 13 176.759 0.300 . 1 . . . . 64 PRO C . 11214 1 760 . 1 1 64 64 PRO CA C 13 58.120 0.300 . 1 . . . . 64 PRO CA . 11214 1 761 . 1 1 64 64 PRO CB C 13 27.405 0.300 . 1 . . . . 64 PRO CB . 11214 1 762 . 1 1 64 64 PRO CD C 13 47.004 0.300 . 1 . . . . 64 PRO CD . 11214 1 763 . 1 1 64 64 PRO CG C 13 24.374 0.300 . 1 . . . . 64 PRO CG . 11214 1 764 . 1 1 65 65 SER H H 1 7.362 0.030 . 1 . . . . 65 SER H . 11214 1 765 . 1 1 65 65 SER HA H 1 2.435 0.030 . 1 . . . . 65 SER HA . 11214 1 766 . 1 1 65 65 SER HB2 H 1 1.712 0.030 . 2 . . . . 65 SER HB2 . 11214 1 767 . 1 1 65 65 SER HB3 H 1 1.289 0.030 . 2 . . . . 65 SER HB3 . 11214 1 768 . 1 1 65 65 SER C C 13 171.424 0.300 . 1 . . . . 65 SER C . 11214 1 769 . 1 1 65 65 SER CA C 13 57.934 0.300 . 1 . . . . 65 SER CA . 11214 1 770 . 1 1 65 65 SER CB C 13 58.166 0.300 . 1 . . . . 65 SER CB . 11214 1 771 . 1 1 65 65 SER N N 15 121.087 0.300 . 1 . . . . 65 SER N . 11214 1 772 . 1 1 66 66 ASN H H 1 7.903 0.030 . 1 . . . . 66 ASN H . 11214 1 773 . 1 1 66 66 ASN HA H 1 4.542 0.030 . 1 . . . . 66 ASN HA . 11214 1 774 . 1 1 66 66 ASN HB2 H 1 2.577 0.030 . 2 . . . . 66 ASN HB2 . 11214 1 775 . 1 1 66 66 ASN HB3 H 1 2.890 0.030 . 2 . . . . 66 ASN HB3 . 11214 1 776 . 1 1 66 66 ASN HD21 H 1 7.404 0.030 . 2 . . . . 66 ASN HD21 . 11214 1 777 . 1 1 66 66 ASN HD22 H 1 6.604 0.030 . 2 . . . . 66 ASN HD22 . 11214 1 778 . 1 1 66 66 ASN C C 13 172.854 0.300 . 1 . . . . 66 ASN C . 11214 1 779 . 1 1 66 66 ASN CA C 13 50.550 0.300 . 1 . . . . 66 ASN CA . 11214 1 780 . 1 1 66 66 ASN CB C 13 33.668 0.300 . 1 . . . . 66 ASN CB . 11214 1 781 . 1 1 66 66 ASN N N 15 114.429 0.300 . 1 . . . . 66 ASN N . 11214 1 782 . 1 1 66 66 ASN ND2 N 15 111.801 0.300 . 1 . . . . 66 ASN ND2 . 11214 1 783 . 1 1 67 67 TYR H H 1 7.738 0.030 . 1 . . . . 67 TYR H . 11214 1 784 . 1 1 67 67 TYR HA H 1 4.724 0.030 . 1 . . . . 67 TYR HA . 11214 1 785 . 1 1 67 67 TYR HB2 H 1 3.298 0.030 . 2 . . . . 67 TYR HB2 . 11214 1 786 . 1 1 67 67 TYR HB3 H 1 3.582 0.030 . 2 . . . . 67 TYR HB3 . 11214 1 787 . 1 1 67 67 TYR HD1 H 1 7.058 0.030 . 1 . . . . 67 TYR HD1 . 11214 1 788 . 1 1 67 67 TYR HD2 H 1 7.058 0.030 . 1 . . . . 67 TYR HD2 . 11214 1 789 . 1 1 67 67 TYR HE1 H 1 6.907 0.030 . 1 . . . . 67 TYR HE1 . 11214 1 790 . 1 1 67 67 TYR HE2 H 1 6.907 0.030 . 1 . . . . 67 TYR HE2 . 11214 1 791 . 1 1 67 67 TYR C C 13 172.266 0.300 . 1 . . . . 67 TYR C . 11214 1 792 . 1 1 67 67 TYR CA C 13 55.772 0.300 . 1 . . . . 67 TYR CA . 11214 1 793 . 1 1 67 67 TYR CB C 13 36.227 0.300 . 1 . . . . 67 TYR CB . 11214 1 794 . 1 1 67 67 TYR CD1 C 13 129.247 0.300 . 1 . . . . 67 TYR CD1 . 11214 1 795 . 1 1 67 67 TYR CD2 C 13 129.247 0.300 . 1 . . . . 67 TYR CD2 . 11214 1 796 . 1 1 67 67 TYR CE1 C 13 115.894 0.300 . 1 . . . . 67 TYR CE1 . 11214 1 797 . 1 1 67 67 TYR CE2 C 13 115.894 0.300 . 1 . . . . 67 TYR CE2 . 11214 1 798 . 1 1 67 67 TYR N N 15 119.477 0.300 . 1 . . . . 67 TYR N . 11214 1 799 . 1 1 68 68 VAL H H 1 6.998 0.030 . 1 . . . . 68 VAL H . 11214 1 800 . 1 1 68 68 VAL HA H 1 5.281 0.030 . 1 . . . . 68 VAL HA . 11214 1 801 . 1 1 68 68 VAL HB H 1 1.980 0.030 . 1 . . . . 68 VAL HB . 11214 1 802 . 1 1 68 68 VAL HG11 H 1 0.268 0.030 . 1 . . . . 68 VAL HG1 . 11214 1 803 . 1 1 68 68 VAL HG12 H 1 0.268 0.030 . 1 . . . . 68 VAL HG1 . 11214 1 804 . 1 1 68 68 VAL HG13 H 1 0.268 0.030 . 1 . . . . 68 VAL HG1 . 11214 1 805 . 1 1 68 68 VAL HG21 H 1 0.459 0.030 . 1 . . . . 68 VAL HG2 . 11214 1 806 . 1 1 68 68 VAL HG22 H 1 0.459 0.030 . 1 . . . . 68 VAL HG2 . 11214 1 807 . 1 1 68 68 VAL HG23 H 1 0.459 0.030 . 1 . . . . 68 VAL HG2 . 11214 1 808 . 1 1 68 68 VAL C C 13 171.201 0.300 . 1 . . . . 68 VAL C . 11214 1 809 . 1 1 68 68 VAL CA C 13 55.808 0.300 . 1 . . . . 68 VAL CA . 11214 1 810 . 1 1 68 68 VAL CB C 13 33.879 0.300 . 1 . . . . 68 VAL CB . 11214 1 811 . 1 1 68 68 VAL CG1 C 13 19.272 0.300 . 2 . . . . 68 VAL CG1 . 11214 1 812 . 1 1 68 68 VAL CG2 C 13 16.068 0.300 . 2 . . . . 68 VAL CG2 . 11214 1 813 . 1 1 68 68 VAL N N 15 108.445 0.300 . 1 . . . . 68 VAL N . 11214 1 814 . 1 1 69 69 ALA H H 1 8.736 0.030 . 1 . . . . 69 ALA H . 11214 1 815 . 1 1 69 69 ALA HA H 1 4.840 0.030 . 1 . . . . 69 ALA HA . 11214 1 816 . 1 1 69 69 ALA HB1 H 1 1.346 0.030 . 1 . . . . 69 ALA HB . 11214 1 817 . 1 1 69 69 ALA HB2 H 1 1.346 0.030 . 1 . . . . 69 ALA HB . 11214 1 818 . 1 1 69 69 ALA HB3 H 1 1.346 0.030 . 1 . . . . 69 ALA HB . 11214 1 819 . 1 1 69 69 ALA C C 13 173.574 0.300 . 1 . . . . 69 ALA C . 11214 1 820 . 1 1 69 69 ALA CA C 13 47.895 0.300 . 1 . . . . 69 ALA CA . 11214 1 821 . 1 1 69 69 ALA CB C 13 20.664 0.300 . 1 . . . . 69 ALA CB . 11214 1 822 . 1 1 69 69 ALA N N 15 121.675 0.300 . 1 . . . . 69 ALA N . 11214 1 823 . 1 1 70 70 GLU H H 1 8.916 0.030 . 1 . . . . 70 GLU H . 11214 1 824 . 1 1 70 70 GLU HA H 1 3.134 0.030 . 1 . . . . 70 GLU HA . 11214 1 825 . 1 1 70 70 GLU HB2 H 1 1.654 0.030 . 1 . . . . 70 GLU HB2 . 11214 1 826 . 1 1 70 70 GLU HB3 H 1 1.654 0.030 . 1 . . . . 70 GLU HB3 . 11214 1 827 . 1 1 70 70 GLU HG2 H 1 1.886 0.030 . 1 . . . . 70 GLU HG2 . 11214 1 828 . 1 1 70 70 GLU HG3 H 1 1.886 0.030 . 1 . . . . 70 GLU HG3 . 11214 1 829 . 1 1 70 70 GLU C C 13 173.091 0.300 . 1 . . . . 70 GLU C . 11214 1 830 . 1 1 70 70 GLU CA C 13 55.470 0.300 . 1 . . . . 70 GLU CA . 11214 1 831 . 1 1 70 70 GLU CB C 13 27.132 0.300 . 1 . . . . 70 GLU CB . 11214 1 832 . 1 1 70 70 GLU CG C 13 34.008 0.300 . 1 . . . . 70 GLU CG . 11214 1 833 . 1 1 70 70 GLU N N 15 122.870 0.300 . 1 . . . . 70 GLU N . 11214 1 834 . 1 1 71 71 ASP H H 1 8.168 0.030 . 1 . . . . 71 ASP H . 11214 1 835 . 1 1 71 71 ASP HA H 1 4.592 0.030 . 1 . . . . 71 ASP HA . 11214 1 836 . 1 1 71 71 ASP HB2 H 1 2.341 0.030 . 2 . . . . 71 ASP HB2 . 11214 1 837 . 1 1 71 71 ASP HB3 H 1 2.133 0.030 . 2 . . . . 71 ASP HB3 . 11214 1 838 . 1 1 71 71 ASP C C 13 172.734 0.300 . 1 . . . . 71 ASP C . 11214 1 839 . 1 1 71 71 ASP CA C 13 50.590 0.300 . 1 . . . . 71 ASP CA . 11214 1 840 . 1 1 71 71 ASP CB C 13 40.362 0.300 . 1 . . . . 71 ASP CB . 11214 1 841 . 1 1 71 71 ASP N N 15 124.248 0.300 . 1 . . . . 71 ASP N . 11214 1 842 . 1 1 72 72 SER H H 1 8.111 0.030 . 1 . . . . 72 SER H . 11214 1 843 . 1 1 72 72 SER HA H 1 4.323 0.030 . 1 . . . . 72 SER HA . 11214 1 844 . 1 1 72 72 SER HB2 H 1 3.775 0.030 . 2 . . . . 72 SER HB2 . 11214 1 845 . 1 1 72 72 SER HB3 H 1 3.694 0.030 . 2 . . . . 72 SER HB3 . 11214 1 846 . 1 1 72 72 SER C C 13 172.253 0.300 . 1 . . . . 72 SER C . 11214 1 847 . 1 1 72 72 SER CA C 13 55.772 0.300 . 1 . . . . 72 SER CA . 11214 1 848 . 1 1 72 72 SER CB C 13 61.404 0.300 . 1 . . . . 72 SER CB . 11214 1 849 . 1 1 72 72 SER N N 15 117.456 0.300 . 1 . . . . 72 SER N . 11214 1 850 . 1 1 73 73 GLY H H 1 8.161 0.030 . 1 . . . . 73 GLY H . 11214 1 851 . 1 1 73 73 GLY HA2 H 1 3.800 0.030 . 1 . . . . 73 GLY HA2 . 11214 1 852 . 1 1 73 73 GLY HA3 H 1 3.800 0.030 . 1 . . . . 73 GLY HA3 . 11214 1 853 . 1 1 73 73 GLY C C 13 169.184 0.300 . 1 . . . . 73 GLY C . 11214 1 854 . 1 1 73 73 GLY CA C 13 42.110 0.300 . 1 . . . . 73 GLY CA . 11214 1 855 . 1 1 73 73 GLY N N 15 110.273 0.300 . 1 . . . . 73 GLY N . 11214 1 856 . 1 1 74 74 PRO HA H 1 4.304 0.030 . 1 . . . . 74 PRO HA . 11214 1 857 . 1 1 74 74 PRO HB2 H 1 2.119 0.030 . 2 . . . . 74 PRO HB2 . 11214 1 858 . 1 1 74 74 PRO HB3 H 1 1.818 0.030 . 2 . . . . 74 PRO HB3 . 11214 1 859 . 1 1 74 74 PRO HD2 H 1 3.292 0.030 . 2 . . . . 74 PRO HD2 . 11214 1 860 . 1 1 74 74 PRO HD3 H 1 3.226 0.030 . 2 . . . . 74 PRO HD3 . 11214 1 861 . 1 1 74 74 PRO HG2 H 1 1.838 0.030 . 1 . . . . 74 PRO HG2 . 11214 1 862 . 1 1 74 74 PRO HG3 H 1 1.838 0.030 . 1 . . . . 74 PRO HG3 . 11214 1 863 . 1 1 74 74 PRO C C 13 174.686 0.300 . 1 . . . . 74 PRO C . 11214 1 864 . 1 1 74 74 PRO CA C 13 60.490 0.300 . 1 . . . . 74 PRO CA . 11214 1 865 . 1 1 74 74 PRO CB C 13 29.494 0.300 . 1 . . . . 74 PRO CB . 11214 1 866 . 1 1 74 74 PRO CD C 13 46.901 0.300 . 1 . . . . 74 PRO CD . 11214 1 867 . 1 1 74 74 PRO CG C 13 24.419 0.300 . 1 . . . . 74 PRO CG . 11214 1 868 . 1 1 75 75 SER H H 1 8.351 0.030 . 1 . . . . 75 SER H . 11214 1 869 . 1 1 75 75 SER HA H 1 4.366 0.030 . 1 . . . . 75 SER HA . 11214 1 870 . 1 1 75 75 SER HB2 H 1 3.773 0.030 . 1 . . . . 75 SER HB2 . 11214 1 871 . 1 1 75 75 SER HB3 H 1 3.773 0.030 . 1 . . . . 75 SER HB3 . 11214 1 872 . 1 1 75 75 SER C C 13 172.068 0.300 . 1 . . . . 75 SER C . 11214 1 873 . 1 1 75 75 SER CA C 13 55.703 0.300 . 1 . . . . 75 SER CA . 11214 1 874 . 1 1 75 75 SER CB C 13 61.201 0.300 . 1 . . . . 75 SER CB . 11214 1 875 . 1 1 75 75 SER N N 15 116.341 0.300 . 1 . . . . 75 SER N . 11214 1 876 . 1 1 76 76 SER H H 1 8.193 0.030 . 1 . . . . 76 SER H . 11214 1 877 . 1 1 76 76 SER HA H 1 4.389 0.030 . 1 . . . . 76 SER HA . 11214 1 878 . 1 1 76 76 SER HB2 H 1 3.777 0.030 . 1 . . . . 76 SER HB2 . 11214 1 879 . 1 1 76 76 SER HB3 H 1 3.777 0.030 . 1 . . . . 76 SER HB3 . 11214 1 880 . 1 1 76 76 SER C C 13 171.310 0.300 . 1 . . . . 76 SER C . 11214 1 881 . 1 1 76 76 SER CA C 13 55.749 0.300 . 1 . . . . 76 SER CA . 11214 1 882 . 1 1 76 76 SER CB C 13 61.336 0.300 . 1 . . . . 76 SER CB . 11214 1 883 . 1 1 76 76 SER N N 15 117.730 0.300 . 1 . . . . 76 SER N . 11214 1 884 . 1 1 77 77 GLY H H 1 7.928 0.030 . 1 . . . . 77 GLY H . 11214 1 885 . 1 1 77 77 GLY HA2 H 1 3.698 0.030 . 2 . . . . 77 GLY HA2 . 11214 1 886 . 1 1 77 77 GLY HA3 H 1 3.657 0.030 . 2 . . . . 77 GLY HA3 . 11214 1 887 . 1 1 77 77 GLY C C 13 176.358 0.300 . 1 . . . . 77 GLY C . 11214 1 888 . 1 1 77 77 GLY CA C 13 43.526 0.300 . 1 . . . . 77 GLY CA . 11214 1 889 . 1 1 77 77 GLY N N 15 116.745 0.300 . 1 . . . . 77 GLY N . 11214 1 stop_ save_