data_11218 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11218 _Entry.Title ; Solution structure of the CIDE-N domain of human cell death activator CIDE-A ; _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 . . . 11218 2 T. Nagashima . . . 11218 3 F. Hayashi . . . 11218 4 S. Yokoyama . . . 11218 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)' . 11218 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11218 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 383 11218 '15N chemical shifts' 89 11218 '1H chemical shifts' 597 11218 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 . 11218 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EEL 'BMRB Entry Tracking System' 11218 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11218 _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 CIDE-N domain of human cell death activator CIDE-A' _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 . . . 11218 1 2 T. Nagashima . . . 11218 1 3 F. Hayashi . . . 11218 1 4 S. Yokoyama . . . 11218 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11218 _Assembly.ID 1 _Assembly.Name 'CIDE-N domain of human cell death activator CIDE-A' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CIDE-N domain of human cell death activator CIDE-A' 1 $entity_1 A . yes native no no . . . 11218 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 2eel . . . . . . 11218 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11218 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CIDE-N 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 ; GSSGSSGPARPFRVSNHDRS SRRGVMASSLQELISKTLDA LVIATGLVTLVLEEDGTVVD TEEFFQTLGDNTHFMILEKG QKWMPSGPSSG ; _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 91 _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 2EEL . "Solution Structure Of The Cide-N Domain Of Human Cell Death Activator Cide-A" . . . . . 100.00 91 100.00 100.00 1.43e-57 . . . . 11218 1 2 no GB AAC34987 . "cell death activator CIDE-A [Homo sapiens]" . . . . . 85.71 219 100.00 100.00 9.27e-48 . . . . 11218 1 3 no GB AAH31896 . "Cell death-inducing DFFA-like effector a [Homo sapiens]" . . . . . 85.71 253 100.00 100.00 1.30e-46 . . . . 11218 1 4 no GB AAQ65241 . "cell death activator [Homo sapiens]" . . . . . 85.71 219 100.00 100.00 9.79e-48 . . . . 11218 1 5 no GB ACA05965 . "cell death activator CIDE-A variant 2 [Homo sapiens]" . . . . . 85.71 253 100.00 100.00 1.30e-46 . . . . 11218 1 6 no GB ACA05966 . "cell death activator CIDE-A variant 1 [Homo sapiens]" . . . . . 85.71 219 100.00 100.00 9.27e-48 . . . . 11218 1 7 no REF NP_001270 . "cell death activator CIDE-A isoform 1 [Homo sapiens]" . . . . . 85.71 219 100.00 100.00 9.27e-48 . . . . 11218 1 8 no REF XP_001094509 . "PREDICTED: cell death activator CIDE-A [Macaca mulatta]" . . . . . 84.62 219 98.70 98.70 5.54e-46 . . . . 11218 1 9 no REF XP_002757072 . "PREDICTED: cell death activator CIDE-A isoform X1 [Callithrix jacchus]" . . . . . 85.71 219 97.44 98.72 1.35e-46 . . . . 11218 1 10 no REF XP_002828066 . "PREDICTED: cell death activator CIDE-A [Pongo abelii]" . . . . . 85.71 122 97.44 98.72 9.95e-48 . . . . 11218 1 11 no REF XP_003817916 . "PREDICTED: cell death activator CIDE-A isoform X1 [Pan paniscus]" . . . . . 85.71 219 100.00 100.00 8.32e-48 . . . . 11218 1 12 no SP O60543 . "RecName: Full=Cell death activator CIDE-A; AltName: Full=Cell death-inducing DFFA-like effector A" . . . . . 85.71 219 100.00 100.00 9.27e-48 . . . . 11218 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CIDE-N domain' . 11218 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 . 11218 1 2 . SER . 11218 1 3 . SER . 11218 1 4 . GLY . 11218 1 5 . SER . 11218 1 6 . SER . 11218 1 7 . GLY . 11218 1 8 . PRO . 11218 1 9 . ALA . 11218 1 10 . ARG . 11218 1 11 . PRO . 11218 1 12 . PHE . 11218 1 13 . ARG . 11218 1 14 . VAL . 11218 1 15 . SER . 11218 1 16 . ASN . 11218 1 17 . HIS . 11218 1 18 . ASP . 11218 1 19 . ARG . 11218 1 20 . SER . 11218 1 21 . SER . 11218 1 22 . ARG . 11218 1 23 . ARG . 11218 1 24 . GLY . 11218 1 25 . VAL . 11218 1 26 . MET . 11218 1 27 . ALA . 11218 1 28 . SER . 11218 1 29 . SER . 11218 1 30 . LEU . 11218 1 31 . GLN . 11218 1 32 . GLU . 11218 1 33 . LEU . 11218 1 34 . ILE . 11218 1 35 . SER . 11218 1 36 . LYS . 11218 1 37 . THR . 11218 1 38 . LEU . 11218 1 39 . ASP . 11218 1 40 . ALA . 11218 1 41 . LEU . 11218 1 42 . VAL . 11218 1 43 . ILE . 11218 1 44 . ALA . 11218 1 45 . THR . 11218 1 46 . GLY . 11218 1 47 . LEU . 11218 1 48 . VAL . 11218 1 49 . THR . 11218 1 50 . LEU . 11218 1 51 . VAL . 11218 1 52 . LEU . 11218 1 53 . GLU . 11218 1 54 . GLU . 11218 1 55 . ASP . 11218 1 56 . GLY . 11218 1 57 . THR . 11218 1 58 . VAL . 11218 1 59 . VAL . 11218 1 60 . ASP . 11218 1 61 . THR . 11218 1 62 . GLU . 11218 1 63 . GLU . 11218 1 64 . PHE . 11218 1 65 . PHE . 11218 1 66 . GLN . 11218 1 67 . THR . 11218 1 68 . LEU . 11218 1 69 . GLY . 11218 1 70 . ASP . 11218 1 71 . ASN . 11218 1 72 . THR . 11218 1 73 . HIS . 11218 1 74 . PHE . 11218 1 75 . MET . 11218 1 76 . ILE . 11218 1 77 . LEU . 11218 1 78 . GLU . 11218 1 79 . LYS . 11218 1 80 . GLY . 11218 1 81 . GLN . 11218 1 82 . LYS . 11218 1 83 . TRP . 11218 1 84 . MET . 11218 1 85 . PRO . 11218 1 86 . SER . 11218 1 87 . GLY . 11218 1 88 . PRO . 11218 1 89 . SER . 11218 1 90 . SER . 11218 1 91 . GLY . 11218 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 11218 1 . SER 2 2 11218 1 . SER 3 3 11218 1 . GLY 4 4 11218 1 . SER 5 5 11218 1 . SER 6 6 11218 1 . GLY 7 7 11218 1 . PRO 8 8 11218 1 . ALA 9 9 11218 1 . ARG 10 10 11218 1 . PRO 11 11 11218 1 . PHE 12 12 11218 1 . ARG 13 13 11218 1 . VAL 14 14 11218 1 . SER 15 15 11218 1 . ASN 16 16 11218 1 . HIS 17 17 11218 1 . ASP 18 18 11218 1 . ARG 19 19 11218 1 . SER 20 20 11218 1 . SER 21 21 11218 1 . ARG 22 22 11218 1 . ARG 23 23 11218 1 . GLY 24 24 11218 1 . VAL 25 25 11218 1 . MET 26 26 11218 1 . ALA 27 27 11218 1 . SER 28 28 11218 1 . SER 29 29 11218 1 . LEU 30 30 11218 1 . GLN 31 31 11218 1 . GLU 32 32 11218 1 . LEU 33 33 11218 1 . ILE 34 34 11218 1 . SER 35 35 11218 1 . LYS 36 36 11218 1 . THR 37 37 11218 1 . LEU 38 38 11218 1 . ASP 39 39 11218 1 . ALA 40 40 11218 1 . LEU 41 41 11218 1 . VAL 42 42 11218 1 . ILE 43 43 11218 1 . ALA 44 44 11218 1 . THR 45 45 11218 1 . GLY 46 46 11218 1 . LEU 47 47 11218 1 . VAL 48 48 11218 1 . THR 49 49 11218 1 . LEU 50 50 11218 1 . VAL 51 51 11218 1 . LEU 52 52 11218 1 . GLU 53 53 11218 1 . GLU 54 54 11218 1 . ASP 55 55 11218 1 . GLY 56 56 11218 1 . THR 57 57 11218 1 . VAL 58 58 11218 1 . VAL 59 59 11218 1 . ASP 60 60 11218 1 . THR 61 61 11218 1 . GLU 62 62 11218 1 . GLU 63 63 11218 1 . PHE 64 64 11218 1 . PHE 65 65 11218 1 . GLN 66 66 11218 1 . THR 67 67 11218 1 . LEU 68 68 11218 1 . GLY 69 69 11218 1 . ASP 70 70 11218 1 . ASN 71 71 11218 1 . THR 72 72 11218 1 . HIS 73 73 11218 1 . PHE 74 74 11218 1 . MET 75 75 11218 1 . ILE 76 76 11218 1 . LEU 77 77 11218 1 . GLU 78 78 11218 1 . LYS 79 79 11218 1 . GLY 80 80 11218 1 . GLN 81 81 11218 1 . LYS 82 82 11218 1 . TRP 83 83 11218 1 . MET 84 84 11218 1 . PRO 85 85 11218 1 . SER 86 86 11218 1 . GLY 87 87 11218 1 . PRO 88 88 11218 1 . SER 89 89 11218 1 . SER 90 90 11218 1 . GLY 91 91 11218 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 11218 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11218 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 11218 _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 . . P050613-03 . . . . . . 11218 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11218 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.10mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CIDE-N domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.10 . . mM . . . . 11218 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11218 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11218 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11218 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11218 1 6 H2O . . . . . . solvent 90 . . % . . . . 11218 1 7 D2O . . . . . . solvent 10 . . % . . . . 11218 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 11218 _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 11218 1 pH 7.0 0.05 pH 11218 1 pressure 1 0.001 atm 11218 1 temperature 298 0.1 K 11218 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11218 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11218 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11218 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11218 _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.' . . 11218 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11218 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11218 _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.' . . 11218 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11218 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11218 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11218 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11218 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11218 _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.' . . 11218 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11218 5 'structure solution' 11218 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 11218 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11218 _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 Varian INOVA . 800 . . . 11218 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 11218 _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 . . . . . . . . . . . . . . . . 11218 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11218 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 11218 _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 . . . . . . . . . 11218 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11218 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11218 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 11218 _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 11218 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11218 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 $VNMR . . 11218 1 2 $NMRPipe . . 11218 1 3 $NMRView . . 11218 1 4 $Kujira . . 11218 1 5 $CYANA . . 11218 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 174.696 0.300 . 1 . . . . 2 SER C . 11218 1 2 . 1 1 2 2 SER CA C 13 58.351 0.300 . 1 . . . . 2 SER CA . 11218 1 3 . 1 1 2 2 SER CB C 13 64.044 0.300 . 1 . . . . 2 SER CB . 11218 1 4 . 1 1 3 3 SER H H 1 8.460 0.030 . 1 . . . . 3 SER H . 11218 1 5 . 1 1 3 3 SER C C 13 174.537 0.300 . 1 . . . . 3 SER C . 11218 1 6 . 1 1 3 3 SER CA C 13 58.366 0.300 . 1 . . . . 3 SER CA . 11218 1 7 . 1 1 3 3 SER CB C 13 64.074 0.300 . 1 . . . . 3 SER CB . 11218 1 8 . 1 1 3 3 SER N N 15 117.866 0.300 . 1 . . . . 3 SER N . 11218 1 9 . 1 1 6 6 SER HA H 1 4.502 0.030 . 1 . . . . 6 SER HA . 11218 1 10 . 1 1 6 6 SER HB2 H 1 3.897 0.030 . 1 . . . . 6 SER HB2 . 11218 1 11 . 1 1 6 6 SER HB3 H 1 3.897 0.030 . 1 . . . . 6 SER HB3 . 11218 1 12 . 1 1 6 6 SER C C 13 173.931 0.300 . 1 . . . . 6 SER C . 11218 1 13 . 1 1 6 6 SER CA C 13 58.410 0.300 . 1 . . . . 6 SER CA . 11218 1 14 . 1 1 6 6 SER CB C 13 64.108 0.300 . 1 . . . . 6 SER CB . 11218 1 15 . 1 1 7 7 GLY HA2 H 1 3.798 0.030 . 1 . . . . 7 GLY HA2 . 11218 1 16 . 1 1 7 7 GLY HA3 H 1 3.798 0.030 . 1 . . . . 7 GLY HA3 . 11218 1 17 . 1 1 7 7 GLY C C 13 178.995 0.300 . 1 . . . . 7 GLY C . 11218 1 18 . 1 1 7 7 GLY CA C 13 46.214 0.300 . 1 . . . . 7 GLY CA . 11218 1 19 . 1 1 8 8 PRO HA H 1 4.472 0.030 . 1 . . . . 8 PRO HA . 11218 1 20 . 1 1 8 8 PRO HB2 H 1 2.261 0.030 . 2 . . . . 8 PRO HB2 . 11218 1 21 . 1 1 8 8 PRO HB3 H 1 1.941 0.030 . 2 . . . . 8 PRO HB3 . 11218 1 22 . 1 1 8 8 PRO HD2 H 1 3.615 0.030 . 1 . . . . 8 PRO HD2 . 11218 1 23 . 1 1 8 8 PRO HD3 H 1 3.615 0.030 . 1 . . . . 8 PRO HD3 . 11218 1 24 . 1 1 8 8 PRO HG2 H 1 2.007 0.030 . 1 . . . . 8 PRO HG2 . 11218 1 25 . 1 1 8 8 PRO HG3 H 1 2.007 0.030 . 1 . . . . 8 PRO HG3 . 11218 1 26 . 1 1 8 8 PRO C C 13 176.415 0.300 . 1 . . . . 8 PRO C . 11218 1 27 . 1 1 8 8 PRO CA C 13 62.540 0.300 . 1 . . . . 8 PRO CA . 11218 1 28 . 1 1 8 8 PRO CB C 13 32.172 0.300 . 1 . . . . 8 PRO CB . 11218 1 29 . 1 1 8 8 PRO CD C 13 49.636 0.300 . 1 . . . . 8 PRO CD . 11218 1 30 . 1 1 8 8 PRO CG C 13 27.169 0.300 . 1 . . . . 8 PRO CG . 11218 1 31 . 1 1 9 9 ALA H H 1 8.328 0.030 . 1 . . . . 9 ALA H . 11218 1 32 . 1 1 9 9 ALA HA H 1 4.006 0.030 . 1 . . . . 9 ALA HA . 11218 1 33 . 1 1 9 9 ALA HB1 H 1 1.258 0.030 . 1 . . . . 9 ALA HB . 11218 1 34 . 1 1 9 9 ALA HB2 H 1 1.258 0.030 . 1 . . . . 9 ALA HB . 11218 1 35 . 1 1 9 9 ALA HB3 H 1 1.258 0.030 . 1 . . . . 9 ALA HB . 11218 1 36 . 1 1 9 9 ALA C C 13 176.471 0.300 . 1 . . . . 9 ALA C . 11218 1 37 . 1 1 9 9 ALA CA C 13 52.330 0.300 . 1 . . . . 9 ALA CA . 11218 1 38 . 1 1 9 9 ALA CB C 13 18.984 0.300 . 1 . . . . 9 ALA CB . 11218 1 39 . 1 1 9 9 ALA N N 15 123.303 0.300 . 1 . . . . 9 ALA N . 11218 1 40 . 1 1 10 10 ARG H H 1 8.142 0.030 . 1 . . . . 10 ARG H . 11218 1 41 . 1 1 10 10 ARG HA H 1 4.639 0.030 . 1 . . . . 10 ARG HA . 11218 1 42 . 1 1 10 10 ARG HB2 H 1 1.419 0.030 . 2 . . . . 10 ARG HB2 . 11218 1 43 . 1 1 10 10 ARG HB3 H 1 1.739 0.030 . 2 . . . . 10 ARG HB3 . 11218 1 44 . 1 1 10 10 ARG HD2 H 1 3.512 0.030 . 2 . . . . 10 ARG HD2 . 11218 1 45 . 1 1 10 10 ARG HD3 H 1 3.266 0.030 . 2 . . . . 10 ARG HD3 . 11218 1 46 . 1 1 10 10 ARG HE H 1 7.409 0.030 . 1 . . . . 10 ARG HE . 11218 1 47 . 1 1 10 10 ARG HG2 H 1 1.607 0.030 . 2 . . . . 10 ARG HG2 . 11218 1 48 . 1 1 10 10 ARG HG3 H 1 1.712 0.030 . 2 . . . . 10 ARG HG3 . 11218 1 49 . 1 1 10 10 ARG C C 13 171.904 0.300 . 1 . . . . 10 ARG C . 11218 1 50 . 1 1 10 10 ARG CA C 13 53.423 0.300 . 1 . . . . 10 ARG CA . 11218 1 51 . 1 1 10 10 ARG CB C 13 31.456 0.300 . 1 . . . . 10 ARG CB . 11218 1 52 . 1 1 10 10 ARG CD C 13 43.980 0.300 . 1 . . . . 10 ARG CD . 11218 1 53 . 1 1 10 10 ARG CG C 13 27.189 0.300 . 1 . . . . 10 ARG CG . 11218 1 54 . 1 1 10 10 ARG N N 15 122.471 0.300 . 1 . . . . 10 ARG N . 11218 1 55 . 1 1 10 10 ARG NE N 15 85.346 0.300 . 1 . . . . 10 ARG NE . 11218 1 56 . 1 1 11 11 PRO HA H 1 5.050 0.030 . 1 . . . . 11 PRO HA . 11218 1 57 . 1 1 11 11 PRO HB2 H 1 1.958 0.030 . 2 . . . . 11 PRO HB2 . 11218 1 58 . 1 1 11 11 PRO HB3 H 1 1.840 0.030 . 2 . . . . 11 PRO HB3 . 11218 1 59 . 1 1 11 11 PRO HD2 H 1 3.470 0.030 . 2 . . . . 11 PRO HD2 . 11218 1 60 . 1 1 11 11 PRO HD3 H 1 3.382 0.030 . 2 . . . . 11 PRO HD3 . 11218 1 61 . 1 1 11 11 PRO HG2 H 1 1.964 0.030 . 1 . . . . 11 PRO HG2 . 11218 1 62 . 1 1 11 11 PRO HG3 H 1 1.964 0.030 . 1 . . . . 11 PRO HG3 . 11218 1 63 . 1 1 11 11 PRO CA C 13 62.375 0.300 . 1 . . . . 11 PRO CA . 11218 1 64 . 1 1 11 11 PRO CB C 13 32.668 0.300 . 1 . . . . 11 PRO CB . 11218 1 65 . 1 1 11 11 PRO CD C 13 49.768 0.300 . 1 . . . . 11 PRO CD . 11218 1 66 . 1 1 11 11 PRO CG C 13 27.181 0.300 . 1 . . . . 11 PRO CG . 11218 1 67 . 1 1 12 12 PHE H H 1 8.847 0.030 . 1 . . . . 12 PHE H . 11218 1 68 . 1 1 12 12 PHE HA H 1 4.879 0.030 . 1 . . . . 12 PHE HA . 11218 1 69 . 1 1 12 12 PHE HB2 H 1 3.614 0.030 . 2 . . . . 12 PHE HB2 . 11218 1 70 . 1 1 12 12 PHE HB3 H 1 2.622 0.030 . 2 . . . . 12 PHE HB3 . 11218 1 71 . 1 1 12 12 PHE HD1 H 1 7.435 0.030 . 1 . . . . 12 PHE HD1 . 11218 1 72 . 1 1 12 12 PHE HD2 H 1 7.435 0.030 . 1 . . . . 12 PHE HD2 . 11218 1 73 . 1 1 12 12 PHE HE1 H 1 7.328 0.030 . 1 . . . . 12 PHE HE1 . 11218 1 74 . 1 1 12 12 PHE HE2 H 1 7.328 0.030 . 1 . . . . 12 PHE HE2 . 11218 1 75 . 1 1 12 12 PHE HZ H 1 6.924 0.030 . 1 . . . . 12 PHE HZ . 11218 1 76 . 1 1 12 12 PHE C C 13 174.590 0.300 . 1 . . . . 12 PHE C . 11218 1 77 . 1 1 12 12 PHE CA C 13 57.434 0.300 . 1 . . . . 12 PHE CA . 11218 1 78 . 1 1 12 12 PHE CB C 13 44.298 0.300 . 1 . . . . 12 PHE CB . 11218 1 79 . 1 1 12 12 PHE CD1 C 13 133.033 0.300 . 1 . . . . 12 PHE CD1 . 11218 1 80 . 1 1 12 12 PHE CD2 C 13 133.033 0.300 . 1 . . . . 12 PHE CD2 . 11218 1 81 . 1 1 12 12 PHE CE1 C 13 130.496 0.300 . 1 . . . . 12 PHE CE1 . 11218 1 82 . 1 1 12 12 PHE CE2 C 13 130.496 0.300 . 1 . . . . 12 PHE CE2 . 11218 1 83 . 1 1 12 12 PHE CZ C 13 130.468 0.300 . 1 . . . . 12 PHE CZ . 11218 1 84 . 1 1 12 12 PHE N N 15 116.225 0.300 . 1 . . . . 12 PHE N . 11218 1 85 . 1 1 13 13 ARG H H 1 8.399 0.030 . 1 . . . . 13 ARG H . 11218 1 86 . 1 1 13 13 ARG HA H 1 5.297 0.030 . 1 . . . . 13 ARG HA . 11218 1 87 . 1 1 13 13 ARG HB2 H 1 1.397 0.030 . 2 . . . . 13 ARG HB2 . 11218 1 88 . 1 1 13 13 ARG HB3 H 1 1.331 0.030 . 2 . . . . 13 ARG HB3 . 11218 1 89 . 1 1 13 13 ARG HD2 H 1 2.701 0.030 . 2 . . . . 13 ARG HD2 . 11218 1 90 . 1 1 13 13 ARG HD3 H 1 3.018 0.030 . 2 . . . . 13 ARG HD3 . 11218 1 91 . 1 1 13 13 ARG HG2 H 1 1.442 0.030 . 1 . . . . 13 ARG HG2 . 11218 1 92 . 1 1 13 13 ARG HG3 H 1 1.442 0.030 . 1 . . . . 13 ARG HG3 . 11218 1 93 . 1 1 13 13 ARG C C 13 175.202 0.300 . 1 . . . . 13 ARG C . 11218 1 94 . 1 1 13 13 ARG CA C 13 54.485 0.300 . 1 . . . . 13 ARG CA . 11218 1 95 . 1 1 13 13 ARG CB C 13 33.039 0.300 . 1 . . . . 13 ARG CB . 11218 1 96 . 1 1 13 13 ARG CD C 13 43.339 0.300 . 1 . . . . 13 ARG CD . 11218 1 97 . 1 1 13 13 ARG CG C 13 26.710 0.300 . 1 . . . . 13 ARG CG . 11218 1 98 . 1 1 13 13 ARG N N 15 120.283 0.300 . 1 . . . . 13 ARG N . 11218 1 99 . 1 1 14 14 VAL H H 1 9.274 0.030 . 1 . . . . 14 VAL H . 11218 1 100 . 1 1 14 14 VAL HA H 1 5.468 0.030 . 1 . . . . 14 VAL HA . 11218 1 101 . 1 1 14 14 VAL HB H 1 1.924 0.030 . 1 . . . . 14 VAL HB . 11218 1 102 . 1 1 14 14 VAL HG11 H 1 0.952 0.030 . 1 . . . . 14 VAL HG1 . 11218 1 103 . 1 1 14 14 VAL HG12 H 1 0.952 0.030 . 1 . . . . 14 VAL HG1 . 11218 1 104 . 1 1 14 14 VAL HG13 H 1 0.952 0.030 . 1 . . . . 14 VAL HG1 . 11218 1 105 . 1 1 14 14 VAL HG21 H 1 1.007 0.030 . 1 . . . . 14 VAL HG2 . 11218 1 106 . 1 1 14 14 VAL HG22 H 1 1.007 0.030 . 1 . . . . 14 VAL HG2 . 11218 1 107 . 1 1 14 14 VAL HG23 H 1 1.007 0.030 . 1 . . . . 14 VAL HG2 . 11218 1 108 . 1 1 14 14 VAL C C 13 174.553 0.300 . 1 . . . . 14 VAL C . 11218 1 109 . 1 1 14 14 VAL CA C 13 60.309 0.300 . 1 . . . . 14 VAL CA . 11218 1 110 . 1 1 14 14 VAL CB C 13 35.484 0.300 . 1 . . . . 14 VAL CB . 11218 1 111 . 1 1 14 14 VAL CG1 C 13 20.178 0.300 . 2 . . . . 14 VAL CG1 . 11218 1 112 . 1 1 14 14 VAL CG2 C 13 21.534 0.300 . 2 . . . . 14 VAL CG2 . 11218 1 113 . 1 1 14 14 VAL N N 15 120.100 0.300 . 1 . . . . 14 VAL N . 11218 1 114 . 1 1 15 15 SER H H 1 8.973 0.030 . 1 . . . . 15 SER H . 11218 1 115 . 1 1 15 15 SER HA H 1 5.903 0.030 . 1 . . . . 15 SER HA . 11218 1 116 . 1 1 15 15 SER HB2 H 1 4.114 0.030 . 2 . . . . 15 SER HB2 . 11218 1 117 . 1 1 15 15 SER HB3 H 1 3.882 0.030 . 2 . . . . 15 SER HB3 . 11218 1 118 . 1 1 15 15 SER C C 13 173.920 0.300 . 1 . . . . 15 SER C . 11218 1 119 . 1 1 15 15 SER CA C 13 57.776 0.300 . 1 . . . . 15 SER CA . 11218 1 120 . 1 1 15 15 SER CB C 13 66.747 0.300 . 1 . . . . 15 SER CB . 11218 1 121 . 1 1 15 15 SER N N 15 121.255 0.300 . 1 . . . . 15 SER N . 11218 1 122 . 1 1 16 16 ASN H H 1 8.257 0.030 . 1 . . . . 16 ASN H . 11218 1 123 . 1 1 16 16 ASN HA H 1 4.976 0.030 . 1 . . . . 16 ASN HA . 11218 1 124 . 1 1 16 16 ASN HB2 H 1 3.661 0.030 . 2 . . . . 16 ASN HB2 . 11218 1 125 . 1 1 16 16 ASN HB3 H 1 2.900 0.030 . 2 . . . . 16 ASN HB3 . 11218 1 126 . 1 1 16 16 ASN HD21 H 1 6.599 0.030 . 2 . . . . 16 ASN HD21 . 11218 1 127 . 1 1 16 16 ASN HD22 H 1 8.076 0.030 . 2 . . . . 16 ASN HD22 . 11218 1 128 . 1 1 16 16 ASN C C 13 177.901 0.300 . 1 . . . . 16 ASN C . 11218 1 129 . 1 1 16 16 ASN CA C 13 51.856 0.300 . 1 . . . . 16 ASN CA . 11218 1 130 . 1 1 16 16 ASN CB C 13 38.231 0.300 . 1 . . . . 16 ASN CB . 11218 1 131 . 1 1 16 16 ASN N N 15 118.899 0.300 . 1 . . . . 16 ASN N . 11218 1 132 . 1 1 16 16 ASN ND2 N 15 109.960 0.300 . 1 . . . . 16 ASN ND2 . 11218 1 133 . 1 1 17 17 HIS H H 1 8.996 0.030 . 1 . . . . 17 HIS H . 11218 1 134 . 1 1 17 17 HIS HA H 1 4.746 0.030 . 1 . . . . 17 HIS HA . 11218 1 135 . 1 1 17 17 HIS HB2 H 1 3.278 0.030 . 2 . . . . 17 HIS HB2 . 11218 1 136 . 1 1 17 17 HIS HB3 H 1 2.996 0.030 . 2 . . . . 17 HIS HB3 . 11218 1 137 . 1 1 17 17 HIS HD2 H 1 7.026 0.030 . 1 . . . . 17 HIS HD2 . 11218 1 138 . 1 1 17 17 HIS HE1 H 1 7.719 0.030 . 1 . . . . 17 HIS HE1 . 11218 1 139 . 1 1 17 17 HIS C C 13 174.231 0.300 . 1 . . . . 17 HIS C . 11218 1 140 . 1 1 17 17 HIS CA C 13 58.717 0.300 . 1 . . . . 17 HIS CA . 11218 1 141 . 1 1 17 17 HIS CB C 13 31.314 0.300 . 1 . . . . 17 HIS CB . 11218 1 142 . 1 1 17 17 HIS CD2 C 13 118.894 0.300 . 1 . . . . 17 HIS CD2 . 11218 1 143 . 1 1 17 17 HIS CE1 C 13 137.883 0.300 . 1 . . . . 17 HIS CE1 . 11218 1 144 . 1 1 17 17 HIS N N 15 117.645 0.300 . 1 . . . . 17 HIS N . 11218 1 145 . 1 1 18 18 ASP H H 1 6.795 0.030 . 1 . . . . 18 ASP H . 11218 1 146 . 1 1 18 18 ASP HA H 1 4.500 0.030 . 1 . . . . 18 ASP HA . 11218 1 147 . 1 1 18 18 ASP HB2 H 1 1.747 0.030 . 2 . . . . 18 ASP HB2 . 11218 1 148 . 1 1 18 18 ASP HB3 H 1 2.813 0.030 . 2 . . . . 18 ASP HB3 . 11218 1 149 . 1 1 18 18 ASP C C 13 176.262 0.300 . 1 . . . . 18 ASP C . 11218 1 150 . 1 1 18 18 ASP CA C 13 51.120 0.300 . 1 . . . . 18 ASP CA . 11218 1 151 . 1 1 18 18 ASP CB C 13 39.192 0.300 . 1 . . . . 18 ASP CB . 11218 1 152 . 1 1 18 18 ASP N N 15 116.501 0.300 . 1 . . . . 18 ASP N . 11218 1 153 . 1 1 19 19 ARG H H 1 8.022 0.030 . 1 . . . . 19 ARG H . 11218 1 154 . 1 1 19 19 ARG HA H 1 3.744 0.030 . 1 . . . . 19 ARG HA . 11218 1 155 . 1 1 19 19 ARG HB2 H 1 2.037 0.030 . 2 . . . . 19 ARG HB2 . 11218 1 156 . 1 1 19 19 ARG HB3 H 1 1.930 0.030 . 2 . . . . 19 ARG HB3 . 11218 1 157 . 1 1 19 19 ARG HD2 H 1 3.114 0.030 . 2 . . . . 19 ARG HD2 . 11218 1 158 . 1 1 19 19 ARG HD3 H 1 3.068 0.030 . 2 . . . . 19 ARG HD3 . 11218 1 159 . 1 1 19 19 ARG HE H 1 8.882 0.030 . 1 . . . . 19 ARG HE . 11218 1 160 . 1 1 19 19 ARG HG2 H 1 1.605 0.030 . 2 . . . . 19 ARG HG2 . 11218 1 161 . 1 1 19 19 ARG HG3 H 1 1.352 0.030 . 2 . . . . 19 ARG HG3 . 11218 1 162 . 1 1 19 19 ARG C C 13 174.611 0.300 . 1 . . . . 19 ARG C . 11218 1 163 . 1 1 19 19 ARG CA C 13 58.051 0.300 . 1 . . . . 19 ARG CA . 11218 1 164 . 1 1 19 19 ARG CB C 13 26.710 0.300 . 1 . . . . 19 ARG CB . 11218 1 165 . 1 1 19 19 ARG CD C 13 43.551 0.300 . 1 . . . . 19 ARG CD . 11218 1 166 . 1 1 19 19 ARG CG C 13 29.319 0.300 . 1 . . . . 19 ARG CG . 11218 1 167 . 1 1 19 19 ARG N N 15 113.362 0.300 . 1 . . . . 19 ARG N . 11218 1 168 . 1 1 19 19 ARG NE N 15 88.655 0.300 . 1 . . . . 19 ARG NE . 11218 1 169 . 1 1 20 20 SER H H 1 8.566 0.030 . 1 . . . . 20 SER H . 11218 1 170 . 1 1 20 20 SER HA H 1 4.304 0.030 . 1 . . . . 20 SER HA . 11218 1 171 . 1 1 20 20 SER HB2 H 1 3.941 0.030 . 2 . . . . 20 SER HB2 . 11218 1 172 . 1 1 20 20 SER HB3 H 1 3.679 0.030 . 2 . . . . 20 SER HB3 . 11218 1 173 . 1 1 20 20 SER C C 13 175.742 0.300 . 1 . . . . 20 SER C . 11218 1 174 . 1 1 20 20 SER CA C 13 59.829 0.300 . 1 . . . . 20 SER CA . 11218 1 175 . 1 1 20 20 SER CB C 13 63.753 0.300 . 1 . . . . 20 SER CB . 11218 1 176 . 1 1 20 20 SER N N 15 114.856 0.300 . 1 . . . . 20 SER N . 11218 1 177 . 1 1 21 21 SER H H 1 8.188 0.030 . 1 . . . . 21 SER H . 11218 1 178 . 1 1 21 21 SER HA H 1 4.731 0.030 . 1 . . . . 21 SER HA . 11218 1 179 . 1 1 21 21 SER HB2 H 1 3.609 0.030 . 2 . . . . 21 SER HB2 . 11218 1 180 . 1 1 21 21 SER HB3 H 1 3.590 0.030 . 2 . . . . 21 SER HB3 . 11218 1 181 . 1 1 21 21 SER C C 13 171.742 0.300 . 1 . . . . 21 SER C . 11218 1 182 . 1 1 21 21 SER CA C 13 57.726 0.300 . 1 . . . . 21 SER CA . 11218 1 183 . 1 1 21 21 SER CB C 13 65.584 0.300 . 1 . . . . 21 SER CB . 11218 1 184 . 1 1 21 21 SER N N 15 119.010 0.300 . 1 . . . . 21 SER N . 11218 1 185 . 1 1 22 22 ARG H H 1 8.223 0.030 . 1 . . . . 22 ARG H . 11218 1 186 . 1 1 22 22 ARG HA H 1 5.451 0.030 . 1 . . . . 22 ARG HA . 11218 1 187 . 1 1 22 22 ARG HB2 H 1 1.682 0.030 . 1 . . . . 22 ARG HB2 . 11218 1 188 . 1 1 22 22 ARG HB3 H 1 1.682 0.030 . 1 . . . . 22 ARG HB3 . 11218 1 189 . 1 1 22 22 ARG HD2 H 1 2.968 0.030 . 2 . . . . 22 ARG HD2 . 11218 1 190 . 1 1 22 22 ARG HD3 H 1 2.894 0.030 . 2 . . . . 22 ARG HD3 . 11218 1 191 . 1 1 22 22 ARG HG2 H 1 1.505 0.030 . 2 . . . . 22 ARG HG2 . 11218 1 192 . 1 1 22 22 ARG HG3 H 1 1.447 0.030 . 2 . . . . 22 ARG HG3 . 11218 1 193 . 1 1 22 22 ARG C C 13 176.263 0.300 . 1 . . . . 22 ARG C . 11218 1 194 . 1 1 22 22 ARG CA C 13 54.624 0.300 . 1 . . . . 22 ARG CA . 11218 1 195 . 1 1 22 22 ARG CB C 13 33.426 0.300 . 1 . . . . 22 ARG CB . 11218 1 196 . 1 1 22 22 ARG CD C 13 43.697 0.300 . 1 . . . . 22 ARG CD . 11218 1 197 . 1 1 22 22 ARG CG C 13 26.897 0.300 . 1 . . . . 22 ARG CG . 11218 1 198 . 1 1 22 22 ARG N N 15 123.465 0.300 . 1 . . . . 22 ARG N . 11218 1 199 . 1 1 23 23 ARG H H 1 9.192 0.030 . 1 . . . . 23 ARG H . 11218 1 200 . 1 1 23 23 ARG HA H 1 4.831 0.030 . 1 . . . . 23 ARG HA . 11218 1 201 . 1 1 23 23 ARG HB2 H 1 1.846 0.030 . 2 . . . . 23 ARG HB2 . 11218 1 202 . 1 1 23 23 ARG HB3 H 1 1.494 0.030 . 2 . . . . 23 ARG HB3 . 11218 1 203 . 1 1 23 23 ARG HD2 H 1 3.238 0.030 . 2 . . . . 23 ARG HD2 . 11218 1 204 . 1 1 23 23 ARG HD3 H 1 3.426 0.030 . 2 . . . . 23 ARG HD3 . 11218 1 205 . 1 1 23 23 ARG HG2 H 1 1.508 0.030 . 2 . . . . 23 ARG HG2 . 11218 1 206 . 1 1 23 23 ARG HG3 H 1 1.463 0.030 . 2 . . . . 23 ARG HG3 . 11218 1 207 . 1 1 23 23 ARG C C 13 174.946 0.300 . 1 . . . . 23 ARG C . 11218 1 208 . 1 1 23 23 ARG CA C 13 53.193 0.300 . 1 . . . . 23 ARG CA . 11218 1 209 . 1 1 23 23 ARG CB C 13 34.052 0.300 . 1 . . . . 23 ARG CB . 11218 1 210 . 1 1 23 23 ARG CD C 13 42.455 0.300 . 1 . . . . 23 ARG CD . 11218 1 211 . 1 1 23 23 ARG CG C 13 26.984 0.300 . 1 . . . . 23 ARG CG . 11218 1 212 . 1 1 23 23 ARG N N 15 123.198 0.300 . 1 . . . . 23 ARG N . 11218 1 213 . 1 1 24 24 GLY H H 1 8.580 0.030 . 1 . . . . 24 GLY H . 11218 1 214 . 1 1 24 24 GLY HA2 H 1 4.893 0.030 . 1 . . . . 24 GLY HA2 . 11218 1 215 . 1 1 24 24 GLY HA3 H 1 4.893 0.030 . 1 . . . . 24 GLY HA3 . 11218 1 216 . 1 1 24 24 GLY C C 13 174.958 0.300 . 1 . . . . 24 GLY C . 11218 1 217 . 1 1 24 24 GLY CA C 13 44.771 0.300 . 1 . . . . 24 GLY CA . 11218 1 218 . 1 1 24 24 GLY N N 15 110.311 0.300 . 1 . . . . 24 GLY N . 11218 1 219 . 1 1 25 25 VAL H H 1 8.590 0.030 . 1 . . . . 25 VAL H . 11218 1 220 . 1 1 25 25 VAL HA H 1 4.533 0.030 . 1 . . . . 25 VAL HA . 11218 1 221 . 1 1 25 25 VAL HB H 1 1.843 0.030 . 1 . . . . 25 VAL HB . 11218 1 222 . 1 1 25 25 VAL HG11 H 1 0.868 0.030 . 1 . . . . 25 VAL HG1 . 11218 1 223 . 1 1 25 25 VAL HG12 H 1 0.868 0.030 . 1 . . . . 25 VAL HG1 . 11218 1 224 . 1 1 25 25 VAL HG13 H 1 0.868 0.030 . 1 . . . . 25 VAL HG1 . 11218 1 225 . 1 1 25 25 VAL HG21 H 1 0.772 0.030 . 1 . . . . 25 VAL HG2 . 11218 1 226 . 1 1 25 25 VAL HG22 H 1 0.772 0.030 . 1 . . . . 25 VAL HG2 . 11218 1 227 . 1 1 25 25 VAL HG23 H 1 0.772 0.030 . 1 . . . . 25 VAL HG2 . 11218 1 228 . 1 1 25 25 VAL C C 13 174.036 0.300 . 1 . . . . 25 VAL C . 11218 1 229 . 1 1 25 25 VAL CA C 13 60.276 0.300 . 1 . . . . 25 VAL CA . 11218 1 230 . 1 1 25 25 VAL CB C 13 36.635 0.300 . 1 . . . . 25 VAL CB . 11218 1 231 . 1 1 25 25 VAL CG1 C 13 22.372 0.300 . 2 . . . . 25 VAL CG1 . 11218 1 232 . 1 1 25 25 VAL CG2 C 13 20.075 0.300 . 2 . . . . 25 VAL CG2 . 11218 1 233 . 1 1 25 25 VAL N N 15 121.762 0.300 . 1 . . . . 25 VAL N . 11218 1 234 . 1 1 26 26 MET H H 1 8.344 0.030 . 1 . . . . 26 MET H . 11218 1 235 . 1 1 26 26 MET HA H 1 5.560 0.030 . 1 . . . . 26 MET HA . 11218 1 236 . 1 1 26 26 MET HB2 H 1 1.902 0.030 . 2 . . . . 26 MET HB2 . 11218 1 237 . 1 1 26 26 MET HB3 H 1 1.678 0.030 . 2 . . . . 26 MET HB3 . 11218 1 238 . 1 1 26 26 MET HE1 H 1 1.785 0.030 . 1 . . . . 26 MET HE . 11218 1 239 . 1 1 26 26 MET HE2 H 1 1.785 0.030 . 1 . . . . 26 MET HE . 11218 1 240 . 1 1 26 26 MET HE3 H 1 1.785 0.030 . 1 . . . . 26 MET HE . 11218 1 241 . 1 1 26 26 MET HG2 H 1 2.527 0.030 . 2 . . . . 26 MET HG2 . 11218 1 242 . 1 1 26 26 MET HG3 H 1 2.377 0.030 . 2 . . . . 26 MET HG3 . 11218 1 243 . 1 1 26 26 MET C C 13 176.178 0.300 . 1 . . . . 26 MET C . 11218 1 244 . 1 1 26 26 MET CA C 13 52.680 0.300 . 1 . . . . 26 MET CA . 11218 1 245 . 1 1 26 26 MET CB C 13 33.151 0.300 . 1 . . . . 26 MET CB . 11218 1 246 . 1 1 26 26 MET CE C 13 16.153 0.300 . 1 . . . . 26 MET CE . 11218 1 247 . 1 1 26 26 MET CG C 13 31.572 0.300 . 1 . . . . 26 MET CG . 11218 1 248 . 1 1 26 26 MET N N 15 122.880 0.300 . 1 . . . . 26 MET N . 11218 1 249 . 1 1 27 27 ALA H H 1 9.588 0.030 . 1 . . . . 27 ALA H . 11218 1 250 . 1 1 27 27 ALA HA H 1 4.959 0.030 . 1 . . . . 27 ALA HA . 11218 1 251 . 1 1 27 27 ALA HB1 H 1 1.581 0.030 . 1 . . . . 27 ALA HB . 11218 1 252 . 1 1 27 27 ALA HB2 H 1 1.581 0.030 . 1 . . . . 27 ALA HB . 11218 1 253 . 1 1 27 27 ALA HB3 H 1 1.581 0.030 . 1 . . . . 27 ALA HB . 11218 1 254 . 1 1 27 27 ALA C C 13 177.481 0.300 . 1 . . . . 27 ALA C . 11218 1 255 . 1 1 27 27 ALA CA C 13 51.910 0.300 . 1 . . . . 27 ALA CA . 11218 1 256 . 1 1 27 27 ALA CB C 13 23.901 0.300 . 1 . . . . 27 ALA CB . 11218 1 257 . 1 1 27 27 ALA N N 15 122.366 0.300 . 1 . . . . 27 ALA N . 11218 1 258 . 1 1 28 28 SER H H 1 9.648 0.030 . 1 . . . . 28 SER H . 11218 1 259 . 1 1 28 28 SER HA H 1 5.077 0.030 . 1 . . . . 28 SER HA . 11218 1 260 . 1 1 28 28 SER HB2 H 1 3.997 0.030 . 2 . . . . 28 SER HB2 . 11218 1 261 . 1 1 28 28 SER HB3 H 1 3.767 0.030 . 2 . . . . 28 SER HB3 . 11218 1 262 . 1 1 28 28 SER C C 13 173.193 0.300 . 1 . . . . 28 SER C . 11218 1 263 . 1 1 28 28 SER CA C 13 58.267 0.300 . 1 . . . . 28 SER CA . 11218 1 264 . 1 1 28 28 SER CB C 13 65.268 0.300 . 1 . . . . 28 SER CB . 11218 1 265 . 1 1 28 28 SER N N 15 116.068 0.300 . 1 . . . . 28 SER N . 11218 1 266 . 1 1 29 29 SER H H 1 7.561 0.030 . 1 . . . . 29 SER H . 11218 1 267 . 1 1 29 29 SER HA H 1 4.806 0.030 . 1 . . . . 29 SER HA . 11218 1 268 . 1 1 29 29 SER HB2 H 1 4.277 0.030 . 2 . . . . 29 SER HB2 . 11218 1 269 . 1 1 29 29 SER HB3 H 1 3.928 0.030 . 2 . . . . 29 SER HB3 . 11218 1 270 . 1 1 29 29 SER C C 13 172.534 0.300 . 1 . . . . 29 SER C . 11218 1 271 . 1 1 29 29 SER CA C 13 56.902 0.300 . 1 . . . . 29 SER CA . 11218 1 272 . 1 1 29 29 SER CB C 13 66.143 0.300 . 1 . . . . 29 SER CB . 11218 1 273 . 1 1 29 29 SER N N 15 114.527 0.300 . 1 . . . . 29 SER N . 11218 1 274 . 1 1 30 30 LEU H H 1 10.299 0.030 . 1 . . . . 30 LEU H . 11218 1 275 . 1 1 30 30 LEU HA H 1 2.713 0.030 . 1 . . . . 30 LEU HA . 11218 1 276 . 1 1 30 30 LEU HB2 H 1 1.550 0.030 . 2 . . . . 30 LEU HB2 . 11218 1 277 . 1 1 30 30 LEU HB3 H 1 0.676 0.030 . 2 . . . . 30 LEU HB3 . 11218 1 278 . 1 1 30 30 LEU HD11 H 1 0.532 0.030 . 1 . . . . 30 LEU HD1 . 11218 1 279 . 1 1 30 30 LEU HD12 H 1 0.532 0.030 . 1 . . . . 30 LEU HD1 . 11218 1 280 . 1 1 30 30 LEU HD13 H 1 0.532 0.030 . 1 . . . . 30 LEU HD1 . 11218 1 281 . 1 1 30 30 LEU HD21 H 1 0.438 0.030 . 1 . . . . 30 LEU HD2 . 11218 1 282 . 1 1 30 30 LEU HD22 H 1 0.438 0.030 . 1 . . . . 30 LEU HD2 . 11218 1 283 . 1 1 30 30 LEU HD23 H 1 0.438 0.030 . 1 . . . . 30 LEU HD2 . 11218 1 284 . 1 1 30 30 LEU HG H 1 1.183 0.030 . 1 . . . . 30 LEU HG . 11218 1 285 . 1 1 30 30 LEU C C 13 177.925 0.300 . 1 . . . . 30 LEU C . 11218 1 286 . 1 1 30 30 LEU CA C 13 57.293 0.300 . 1 . . . . 30 LEU CA . 11218 1 287 . 1 1 30 30 LEU CB C 13 40.749 0.300 . 1 . . . . 30 LEU CB . 11218 1 288 . 1 1 30 30 LEU CD1 C 13 25.245 0.300 . 2 . . . . 30 LEU CD1 . 11218 1 289 . 1 1 30 30 LEU CD2 C 13 23.584 0.300 . 2 . . . . 30 LEU CD2 . 11218 1 290 . 1 1 30 30 LEU CG C 13 26.509 0.300 . 1 . . . . 30 LEU CG . 11218 1 291 . 1 1 30 30 LEU N N 15 127.196 0.300 . 1 . . . . 30 LEU N . 11218 1 292 . 1 1 31 31 GLN H H 1 8.300 0.030 . 1 . . . . 31 GLN H . 11218 1 293 . 1 1 31 31 GLN HA H 1 3.751 0.030 . 1 . . . . 31 GLN HA . 11218 1 294 . 1 1 31 31 GLN HB2 H 1 1.977 0.030 . 2 . . . . 31 GLN HB2 . 11218 1 295 . 1 1 31 31 GLN HB3 H 1 1.906 0.030 . 2 . . . . 31 GLN HB3 . 11218 1 296 . 1 1 31 31 GLN HE21 H 1 7.436 0.030 . 2 . . . . 31 GLN HE21 . 11218 1 297 . 1 1 31 31 GLN HE22 H 1 6.805 0.030 . 2 . . . . 31 GLN HE22 . 11218 1 298 . 1 1 31 31 GLN HG2 H 1 2.375 0.030 . 2 . . . . 31 GLN HG2 . 11218 1 299 . 1 1 31 31 GLN HG3 H 1 2.310 0.030 . 2 . . . . 31 GLN HG3 . 11218 1 300 . 1 1 31 31 GLN C C 13 178.649 0.300 . 1 . . . . 31 GLN C . 11218 1 301 . 1 1 31 31 GLN CA C 13 58.736 0.300 . 1 . . . . 31 GLN CA . 11218 1 302 . 1 1 31 31 GLN CB C 13 27.968 0.300 . 1 . . . . 31 GLN CB . 11218 1 303 . 1 1 31 31 GLN CG C 13 33.388 0.300 . 1 . . . . 31 GLN CG . 11218 1 304 . 1 1 31 31 GLN N N 15 116.874 0.300 . 1 . . . . 31 GLN N . 11218 1 305 . 1 1 31 31 GLN NE2 N 15 112.078 0.300 . 1 . . . . 31 GLN NE2 . 11218 1 306 . 1 1 32 32 GLU H H 1 7.784 0.030 . 1 . . . . 32 GLU H . 11218 1 307 . 1 1 32 32 GLU HA H 1 4.032 0.030 . 1 . . . . 32 GLU HA . 11218 1 308 . 1 1 32 32 GLU HB2 H 1 2.080 0.030 . 2 . . . . 32 GLU HB2 . 11218 1 309 . 1 1 32 32 GLU HB3 H 1 2.006 0.030 . 2 . . . . 32 GLU HB3 . 11218 1 310 . 1 1 32 32 GLU HG2 H 1 2.383 0.030 . 2 . . . . 32 GLU HG2 . 11218 1 311 . 1 1 32 32 GLU HG3 H 1 2.197 0.030 . 2 . . . . 32 GLU HG3 . 11218 1 312 . 1 1 32 32 GLU C C 13 177.209 0.300 . 1 . . . . 32 GLU C . 11218 1 313 . 1 1 32 32 GLU CA C 13 58.743 0.300 . 1 . . . . 32 GLU CA . 11218 1 314 . 1 1 32 32 GLU CB C 13 30.472 0.300 . 1 . . . . 32 GLU CB . 11218 1 315 . 1 1 32 32 GLU CG C 13 37.164 0.300 . 1 . . . . 32 GLU CG . 11218 1 316 . 1 1 32 32 GLU N N 15 120.399 0.300 . 1 . . . . 32 GLU N . 11218 1 317 . 1 1 33 33 LEU H H 1 8.123 0.030 . 1 . . . . 33 LEU H . 11218 1 318 . 1 1 33 33 LEU HA H 1 3.671 0.030 . 1 . . . . 33 LEU HA . 11218 1 319 . 1 1 33 33 LEU HB2 H 1 1.632 0.030 . 2 . . . . 33 LEU HB2 . 11218 1 320 . 1 1 33 33 LEU HB3 H 1 1.006 0.030 . 2 . . . . 33 LEU HB3 . 11218 1 321 . 1 1 33 33 LEU HD11 H 1 0.512 0.030 . 1 . . . . 33 LEU HD1 . 11218 1 322 . 1 1 33 33 LEU HD12 H 1 0.512 0.030 . 1 . . . . 33 LEU HD1 . 11218 1 323 . 1 1 33 33 LEU HD13 H 1 0.512 0.030 . 1 . . . . 33 LEU HD1 . 11218 1 324 . 1 1 33 33 LEU HD21 H 1 -0.066 0.030 . 1 . . . . 33 LEU HD2 . 11218 1 325 . 1 1 33 33 LEU HD22 H 1 -0.066 0.030 . 1 . . . . 33 LEU HD2 . 11218 1 326 . 1 1 33 33 LEU HD23 H 1 -0.066 0.030 . 1 . . . . 33 LEU HD2 . 11218 1 327 . 1 1 33 33 LEU HG H 1 0.979 0.030 . 1 . . . . 33 LEU HG . 11218 1 328 . 1 1 33 33 LEU C C 13 180.093 0.300 . 1 . . . . 33 LEU C . 11218 1 329 . 1 1 33 33 LEU CA C 13 58.580 0.300 . 1 . . . . 33 LEU CA . 11218 1 330 . 1 1 33 33 LEU CB C 13 40.642 0.300 . 1 . . . . 33 LEU CB . 11218 1 331 . 1 1 33 33 LEU CD1 C 13 24.276 0.300 . 2 . . . . 33 LEU CD1 . 11218 1 332 . 1 1 33 33 LEU CD2 C 13 26.905 0.300 . 2 . . . . 33 LEU CD2 . 11218 1 333 . 1 1 33 33 LEU CG C 13 26.876 0.300 . 1 . . . . 33 LEU CG . 11218 1 334 . 1 1 33 33 LEU N N 15 121.141 0.300 . 1 . . . . 33 LEU N . 11218 1 335 . 1 1 34 34 ILE H H 1 8.383 0.030 . 1 . . . . 34 ILE H . 11218 1 336 . 1 1 34 34 ILE HA H 1 3.212 0.030 . 1 . . . . 34 ILE HA . 11218 1 337 . 1 1 34 34 ILE HB H 1 1.747 0.030 . 1 . . . . 34 ILE HB . 11218 1 338 . 1 1 34 34 ILE HD11 H 1 0.691 0.030 . 1 . . . . 34 ILE HD1 . 11218 1 339 . 1 1 34 34 ILE HD12 H 1 0.691 0.030 . 1 . . . . 34 ILE HD1 . 11218 1 340 . 1 1 34 34 ILE HD13 H 1 0.691 0.030 . 1 . . . . 34 ILE HD1 . 11218 1 341 . 1 1 34 34 ILE HG12 H 1 1.556 0.030 . 2 . . . . 34 ILE HG12 . 11218 1 342 . 1 1 34 34 ILE HG13 H 1 0.683 0.030 . 2 . . . . 34 ILE HG13 . 11218 1 343 . 1 1 34 34 ILE HG21 H 1 0.760 0.030 . 1 . . . . 34 ILE HG2 . 11218 1 344 . 1 1 34 34 ILE HG22 H 1 0.760 0.030 . 1 . . . . 34 ILE HG2 . 11218 1 345 . 1 1 34 34 ILE HG23 H 1 0.760 0.030 . 1 . . . . 34 ILE HG2 . 11218 1 346 . 1 1 34 34 ILE C C 13 177.115 0.300 . 1 . . . . 34 ILE C . 11218 1 347 . 1 1 34 34 ILE CA C 13 66.547 0.300 . 1 . . . . 34 ILE CA . 11218 1 348 . 1 1 34 34 ILE CB C 13 37.513 0.300 . 1 . . . . 34 ILE CB . 11218 1 349 . 1 1 34 34 ILE CD1 C 13 12.568 0.300 . 1 . . . . 34 ILE CD1 . 11218 1 350 . 1 1 34 34 ILE CG1 C 13 30.138 0.300 . 1 . . . . 34 ILE CG1 . 11218 1 351 . 1 1 34 34 ILE CG2 C 13 16.943 0.300 . 1 . . . . 34 ILE CG2 . 11218 1 352 . 1 1 34 34 ILE N N 15 120.881 0.300 . 1 . . . . 34 ILE N . 11218 1 353 . 1 1 35 35 SER H H 1 7.996 0.030 . 1 . . . . 35 SER H . 11218 1 354 . 1 1 35 35 SER HA H 1 3.969 0.030 . 1 . . . . 35 SER HA . 11218 1 355 . 1 1 35 35 SER HB2 H 1 4.042 0.030 . 1 . . . . 35 SER HB2 . 11218 1 356 . 1 1 35 35 SER HB3 H 1 4.042 0.030 . 1 . . . . 35 SER HB3 . 11218 1 357 . 1 1 35 35 SER C C 13 177.838 0.300 . 1 . . . . 35 SER C . 11218 1 358 . 1 1 35 35 SER CA C 13 62.706 0.300 . 1 . . . . 35 SER CA . 11218 1 359 . 1 1 35 35 SER CB C 13 62.543 0.300 . 1 . . . . 35 SER CB . 11218 1 360 . 1 1 35 35 SER N N 15 114.638 0.300 . 1 . . . . 35 SER N . 11218 1 361 . 1 1 36 36 LYS H H 1 8.791 0.030 . 1 . . . . 36 LYS H . 11218 1 362 . 1 1 36 36 LYS HA H 1 4.198 0.030 . 1 . . . . 36 LYS HA . 11218 1 363 . 1 1 36 36 LYS HB2 H 1 1.910 0.030 . 2 . . . . 36 LYS HB2 . 11218 1 364 . 1 1 36 36 LYS HB3 H 1 1.834 0.030 . 2 . . . . 36 LYS HB3 . 11218 1 365 . 1 1 36 36 LYS HD2 H 1 1.802 0.030 . 1 . . . . 36 LYS HD2 . 11218 1 366 . 1 1 36 36 LYS HD3 H 1 1.802 0.030 . 1 . . . . 36 LYS HD3 . 11218 1 367 . 1 1 36 36 LYS HE2 H 1 3.113 0.030 . 1 . . . . 36 LYS HE2 . 11218 1 368 . 1 1 36 36 LYS HE3 H 1 3.113 0.030 . 1 . . . . 36 LYS HE3 . 11218 1 369 . 1 1 36 36 LYS HG2 H 1 1.562 0.030 . 2 . . . . 36 LYS HG2 . 11218 1 370 . 1 1 36 36 LYS HG3 H 1 1.891 0.030 . 2 . . . . 36 LYS HG3 . 11218 1 371 . 1 1 36 36 LYS C C 13 180.318 0.300 . 1 . . . . 36 LYS C . 11218 1 372 . 1 1 36 36 LYS CA C 13 59.122 0.300 . 1 . . . . 36 LYS CA . 11218 1 373 . 1 1 36 36 LYS CB C 13 33.193 0.300 . 1 . . . . 36 LYS CB . 11218 1 374 . 1 1 36 36 LYS CD C 13 29.593 0.300 . 1 . . . . 36 LYS CD . 11218 1 375 . 1 1 36 36 LYS CE C 13 42.472 0.300 . 1 . . . . 36 LYS CE . 11218 1 376 . 1 1 36 36 LYS CG C 13 26.443 0.300 . 1 . . . . 36 LYS CG . 11218 1 377 . 1 1 36 36 LYS N N 15 119.027 0.300 . 1 . . . . 36 LYS N . 11218 1 378 . 1 1 37 37 THR H H 1 8.264 0.030 . 1 . . . . 37 THR H . 11218 1 379 . 1 1 37 37 THR HA H 1 3.665 0.030 . 1 . . . . 37 THR HA . 11218 1 380 . 1 1 37 37 THR HB H 1 4.270 0.030 . 1 . . . . 37 THR HB . 11218 1 381 . 1 1 37 37 THR HG21 H 1 1.056 0.030 . 1 . . . . 37 THR HG2 . 11218 1 382 . 1 1 37 37 THR HG22 H 1 1.056 0.030 . 1 . . . . 37 THR HG2 . 11218 1 383 . 1 1 37 37 THR HG23 H 1 1.056 0.030 . 1 . . . . 37 THR HG2 . 11218 1 384 . 1 1 37 37 THR C C 13 175.632 0.300 . 1 . . . . 37 THR C . 11218 1 385 . 1 1 37 37 THR CA C 13 68.434 0.300 . 1 . . . . 37 THR CA . 11218 1 386 . 1 1 37 37 THR CB C 13 67.280 0.300 . 1 . . . . 37 THR CB . 11218 1 387 . 1 1 37 37 THR CG2 C 13 23.168 0.300 . 1 . . . . 37 THR CG2 . 11218 1 388 . 1 1 37 37 THR N N 15 120.057 0.300 . 1 . . . . 37 THR N . 11218 1 389 . 1 1 38 38 LEU H H 1 8.255 0.030 . 1 . . . . 38 LEU H . 11218 1 390 . 1 1 38 38 LEU HA H 1 3.899 0.030 . 1 . . . . 38 LEU HA . 11218 1 391 . 1 1 38 38 LEU HB2 H 1 1.911 0.030 . 2 . . . . 38 LEU HB2 . 11218 1 392 . 1 1 38 38 LEU HB3 H 1 1.660 0.030 . 2 . . . . 38 LEU HB3 . 11218 1 393 . 1 1 38 38 LEU HD11 H 1 0.866 0.030 . 1 . . . . 38 LEU HD1 . 11218 1 394 . 1 1 38 38 LEU HD12 H 1 0.866 0.030 . 1 . . . . 38 LEU HD1 . 11218 1 395 . 1 1 38 38 LEU HD13 H 1 0.866 0.030 . 1 . . . . 38 LEU HD1 . 11218 1 396 . 1 1 38 38 LEU HD21 H 1 0.760 0.030 . 1 . . . . 38 LEU HD2 . 11218 1 397 . 1 1 38 38 LEU HD22 H 1 0.760 0.030 . 1 . . . . 38 LEU HD2 . 11218 1 398 . 1 1 38 38 LEU HD23 H 1 0.760 0.030 . 1 . . . . 38 LEU HD2 . 11218 1 399 . 1 1 38 38 LEU HG H 1 2.011 0.030 . 1 . . . . 38 LEU HG . 11218 1 400 . 1 1 38 38 LEU C C 13 179.382 0.300 . 1 . . . . 38 LEU C . 11218 1 401 . 1 1 38 38 LEU CA C 13 58.426 0.300 . 1 . . . . 38 LEU CA . 11218 1 402 . 1 1 38 38 LEU CB C 13 40.405 0.300 . 1 . . . . 38 LEU CB . 11218 1 403 . 1 1 38 38 LEU CD1 C 13 25.490 0.300 . 2 . . . . 38 LEU CD1 . 11218 1 404 . 1 1 38 38 LEU CD2 C 13 23.318 0.300 . 2 . . . . 38 LEU CD2 . 11218 1 405 . 1 1 38 38 LEU CG C 13 26.372 0.300 . 1 . . . . 38 LEU CG . 11218 1 406 . 1 1 38 38 LEU N N 15 121.360 0.300 . 1 . . . . 38 LEU N . 11218 1 407 . 1 1 39 39 ASP H H 1 7.144 0.030 . 1 . . . . 39 ASP H . 11218 1 408 . 1 1 39 39 ASP HA H 1 4.500 0.030 . 1 . . . . 39 ASP HA . 11218 1 409 . 1 1 39 39 ASP HB2 H 1 2.711 0.030 . 1 . . . . 39 ASP HB2 . 11218 1 410 . 1 1 39 39 ASP HB3 H 1 2.711 0.030 . 1 . . . . 39 ASP HB3 . 11218 1 411 . 1 1 39 39 ASP C C 13 178.456 0.300 . 1 . . . . 39 ASP C . 11218 1 412 . 1 1 39 39 ASP CA C 13 56.501 0.300 . 1 . . . . 39 ASP CA . 11218 1 413 . 1 1 39 39 ASP CB C 13 41.439 0.300 . 1 . . . . 39 ASP CB . 11218 1 414 . 1 1 39 39 ASP N N 15 115.411 0.300 . 1 . . . . 39 ASP N . 11218 1 415 . 1 1 40 40 ALA H H 1 8.209 0.030 . 1 . . . . 40 ALA H . 11218 1 416 . 1 1 40 40 ALA HA H 1 4.172 0.030 . 1 . . . . 40 ALA HA . 11218 1 417 . 1 1 40 40 ALA HB1 H 1 1.402 0.030 . 1 . . . . 40 ALA HB . 11218 1 418 . 1 1 40 40 ALA HB2 H 1 1.402 0.030 . 1 . . . . 40 ALA HB . 11218 1 419 . 1 1 40 40 ALA HB3 H 1 1.402 0.030 . 1 . . . . 40 ALA HB . 11218 1 420 . 1 1 40 40 ALA C C 13 179.082 0.300 . 1 . . . . 40 ALA C . 11218 1 421 . 1 1 40 40 ALA CA C 13 54.780 0.300 . 1 . . . . 40 ALA CA . 11218 1 422 . 1 1 40 40 ALA CB C 13 18.664 0.300 . 1 . . . . 40 ALA CB . 11218 1 423 . 1 1 40 40 ALA N N 15 121.751 0.300 . 1 . . . . 40 ALA N . 11218 1 424 . 1 1 41 41 LEU H H 1 8.259 0.030 . 1 . . . . 41 LEU H . 11218 1 425 . 1 1 41 41 LEU HA H 1 4.363 0.030 . 1 . . . . 41 LEU HA . 11218 1 426 . 1 1 41 41 LEU HB2 H 1 1.671 0.030 . 1 . . . . 41 LEU HB2 . 11218 1 427 . 1 1 41 41 LEU HB3 H 1 1.671 0.030 . 1 . . . . 41 LEU HB3 . 11218 1 428 . 1 1 41 41 LEU HD11 H 1 0.748 0.030 . 1 . . . . 41 LEU HD1 . 11218 1 429 . 1 1 41 41 LEU HD12 H 1 0.748 0.030 . 1 . . . . 41 LEU HD1 . 11218 1 430 . 1 1 41 41 LEU HD13 H 1 0.748 0.030 . 1 . . . . 41 LEU HD1 . 11218 1 431 . 1 1 41 41 LEU HD21 H 1 0.784 0.030 . 1 . . . . 41 LEU HD2 . 11218 1 432 . 1 1 41 41 LEU HD22 H 1 0.784 0.030 . 1 . . . . 41 LEU HD2 . 11218 1 433 . 1 1 41 41 LEU HD23 H 1 0.784 0.030 . 1 . . . . 41 LEU HD2 . 11218 1 434 . 1 1 41 41 LEU HG H 1 1.530 0.030 . 1 . . . . 41 LEU HG . 11218 1 435 . 1 1 41 41 LEU C C 13 175.583 0.300 . 1 . . . . 41 LEU C . 11218 1 436 . 1 1 41 41 LEU CA C 13 54.268 0.300 . 1 . . . . 41 LEU CA . 11218 1 437 . 1 1 41 41 LEU CB C 13 41.943 0.300 . 1 . . . . 41 LEU CB . 11218 1 438 . 1 1 41 41 LEU CD1 C 13 26.314 0.300 . 2 . . . . 41 LEU CD1 . 11218 1 439 . 1 1 41 41 LEU CD2 C 13 23.364 0.300 . 2 . . . . 41 LEU CD2 . 11218 1 440 . 1 1 41 41 LEU CG C 13 27.798 0.300 . 1 . . . . 41 LEU CG . 11218 1 441 . 1 1 41 41 LEU N N 15 114.774 0.300 . 1 . . . . 41 LEU N . 11218 1 442 . 1 1 42 42 VAL H H 1 7.535 0.030 . 1 . . . . 42 VAL H . 11218 1 443 . 1 1 42 42 VAL HA H 1 3.540 0.030 . 1 . . . . 42 VAL HA . 11218 1 444 . 1 1 42 42 VAL HB H 1 2.497 0.030 . 1 . . . . 42 VAL HB . 11218 1 445 . 1 1 42 42 VAL HG11 H 1 0.957 0.030 . 1 . . . . 42 VAL HG1 . 11218 1 446 . 1 1 42 42 VAL HG12 H 1 0.957 0.030 . 1 . . . . 42 VAL HG1 . 11218 1 447 . 1 1 42 42 VAL HG13 H 1 0.957 0.030 . 1 . . . . 42 VAL HG1 . 11218 1 448 . 1 1 42 42 VAL HG21 H 1 0.833 0.030 . 1 . . . . 42 VAL HG2 . 11218 1 449 . 1 1 42 42 VAL HG22 H 1 0.833 0.030 . 1 . . . . 42 VAL HG2 . 11218 1 450 . 1 1 42 42 VAL HG23 H 1 0.833 0.030 . 1 . . . . 42 VAL HG2 . 11218 1 451 . 1 1 42 42 VAL C C 13 174.600 0.300 . 1 . . . . 42 VAL C . 11218 1 452 . 1 1 42 42 VAL CA C 13 63.120 0.300 . 1 . . . . 42 VAL CA . 11218 1 453 . 1 1 42 42 VAL CB C 13 28.718 0.300 . 1 . . . . 42 VAL CB . 11218 1 454 . 1 1 42 42 VAL CG1 C 13 22.989 0.300 . 2 . . . . 42 VAL CG1 . 11218 1 455 . 1 1 42 42 VAL CG2 C 13 21.108 0.300 . 2 . . . . 42 VAL CG2 . 11218 1 456 . 1 1 42 42 VAL N N 15 120.360 0.300 . 1 . . . . 42 VAL N . 11218 1 457 . 1 1 43 43 ILE H H 1 8.216 0.030 . 1 . . . . 43 ILE H . 11218 1 458 . 1 1 43 43 ILE HA H 1 4.141 0.030 . 1 . . . . 43 ILE HA . 11218 1 459 . 1 1 43 43 ILE HB H 1 1.702 0.030 . 1 . . . . 43 ILE HB . 11218 1 460 . 1 1 43 43 ILE HD11 H 1 0.779 0.030 . 1 . . . . 43 ILE HD1 . 11218 1 461 . 1 1 43 43 ILE HD12 H 1 0.779 0.030 . 1 . . . . 43 ILE HD1 . 11218 1 462 . 1 1 43 43 ILE HD13 H 1 0.779 0.030 . 1 . . . . 43 ILE HD1 . 11218 1 463 . 1 1 43 43 ILE HG12 H 1 1.377 0.030 . 2 . . . . 43 ILE HG12 . 11218 1 464 . 1 1 43 43 ILE HG13 H 1 1.124 0.030 . 2 . . . . 43 ILE HG13 . 11218 1 465 . 1 1 43 43 ILE HG21 H 1 0.890 0.030 . 1 . . . . 43 ILE HG2 . 11218 1 466 . 1 1 43 43 ILE HG22 H 1 0.890 0.030 . 1 . . . . 43 ILE HG2 . 11218 1 467 . 1 1 43 43 ILE HG23 H 1 0.890 0.030 . 1 . . . . 43 ILE HG2 . 11218 1 468 . 1 1 43 43 ILE C C 13 176.165 0.300 . 1 . . . . 43 ILE C . 11218 1 469 . 1 1 43 43 ILE CA C 13 60.160 0.300 . 1 . . . . 43 ILE CA . 11218 1 470 . 1 1 43 43 ILE CB C 13 39.017 0.300 . 1 . . . . 43 ILE CB . 11218 1 471 . 1 1 43 43 ILE CD1 C 13 13.730 0.300 . 1 . . . . 43 ILE CD1 . 11218 1 472 . 1 1 43 43 ILE CG1 C 13 27.437 0.300 . 1 . . . . 43 ILE CG1 . 11218 1 473 . 1 1 43 43 ILE CG2 C 13 17.355 0.300 . 1 . . . . 43 ILE CG2 . 11218 1 474 . 1 1 43 43 ILE N N 15 123.183 0.300 . 1 . . . . 43 ILE N . 11218 1 475 . 1 1 44 44 ALA H H 1 8.716 0.030 . 1 . . . . 44 ALA H . 11218 1 476 . 1 1 44 44 ALA HA H 1 4.304 0.030 . 1 . . . . 44 ALA HA . 11218 1 477 . 1 1 44 44 ALA HB1 H 1 1.421 0.030 . 1 . . . . 44 ALA HB . 11218 1 478 . 1 1 44 44 ALA HB2 H 1 1.421 0.030 . 1 . . . . 44 ALA HB . 11218 1 479 . 1 1 44 44 ALA HB3 H 1 1.421 0.030 . 1 . . . . 44 ALA HB . 11218 1 480 . 1 1 44 44 ALA C C 13 177.536 0.300 . 1 . . . . 44 ALA C . 11218 1 481 . 1 1 44 44 ALA CA C 13 52.736 0.300 . 1 . . . . 44 ALA CA . 11218 1 482 . 1 1 44 44 ALA CB C 13 19.508 0.300 . 1 . . . . 44 ALA CB . 11218 1 483 . 1 1 44 44 ALA N N 15 129.752 0.300 . 1 . . . . 44 ALA N . 11218 1 484 . 1 1 45 45 THR H H 1 7.577 0.030 . 1 . . . . 45 THR H . 11218 1 485 . 1 1 45 45 THR HA H 1 4.277 0.030 . 1 . . . . 45 THR HA . 11218 1 486 . 1 1 45 45 THR HB H 1 4.191 0.030 . 1 . . . . 45 THR HB . 11218 1 487 . 1 1 45 45 THR HG21 H 1 1.182 0.030 . 1 . . . . 45 THR HG2 . 11218 1 488 . 1 1 45 45 THR HG22 H 1 1.182 0.030 . 1 . . . . 45 THR HG2 . 11218 1 489 . 1 1 45 45 THR HG23 H 1 1.182 0.030 . 1 . . . . 45 THR HG2 . 11218 1 490 . 1 1 45 45 THR C C 13 173.543 0.300 . 1 . . . . 45 THR C . 11218 1 491 . 1 1 45 45 THR CA C 13 61.655 0.300 . 1 . . . . 45 THR CA . 11218 1 492 . 1 1 45 45 THR CB C 13 69.589 0.300 . 1 . . . . 45 THR CB . 11218 1 493 . 1 1 45 45 THR CG2 C 13 20.959 0.300 . 1 . . . . 45 THR CG2 . 11218 1 494 . 1 1 45 45 THR N N 15 111.739 0.300 . 1 . . . . 45 THR N . 11218 1 495 . 1 1 46 46 GLY H H 1 7.890 0.030 . 1 . . . . 46 GLY H . 11218 1 496 . 1 1 46 46 GLY HA2 H 1 4.064 0.030 . 2 . . . . 46 GLY HA2 . 11218 1 497 . 1 1 46 46 GLY HA3 H 1 3.893 0.030 . 2 . . . . 46 GLY HA3 . 11218 1 498 . 1 1 46 46 GLY C C 13 173.596 0.300 . 1 . . . . 46 GLY C . 11218 1 499 . 1 1 46 46 GLY CA C 13 44.872 0.300 . 1 . . . . 46 GLY CA . 11218 1 500 . 1 1 46 46 GLY N N 15 109.386 0.300 . 1 . . . . 46 GLY N . 11218 1 501 . 1 1 47 47 LEU H H 1 8.043 0.030 . 1 . . . . 47 LEU H . 11218 1 502 . 1 1 47 47 LEU HA H 1 4.516 0.030 . 1 . . . . 47 LEU HA . 11218 1 503 . 1 1 47 47 LEU HB2 H 1 1.661 0.030 . 2 . . . . 47 LEU HB2 . 11218 1 504 . 1 1 47 47 LEU HB3 H 1 1.572 0.030 . 2 . . . . 47 LEU HB3 . 11218 1 505 . 1 1 47 47 LEU HD11 H 1 0.936 0.030 . 1 . . . . 47 LEU HD1 . 11218 1 506 . 1 1 47 47 LEU HD12 H 1 0.936 0.030 . 1 . . . . 47 LEU HD1 . 11218 1 507 . 1 1 47 47 LEU HD13 H 1 0.936 0.030 . 1 . . . . 47 LEU HD1 . 11218 1 508 . 1 1 47 47 LEU HD21 H 1 0.868 0.030 . 1 . . . . 47 LEU HD2 . 11218 1 509 . 1 1 47 47 LEU HD22 H 1 0.868 0.030 . 1 . . . . 47 LEU HD2 . 11218 1 510 . 1 1 47 47 LEU HD23 H 1 0.868 0.030 . 1 . . . . 47 LEU HD2 . 11218 1 511 . 1 1 47 47 LEU HG H 1 1.602 0.030 . 1 . . . . 47 LEU HG . 11218 1 512 . 1 1 47 47 LEU C C 13 176.159 0.300 . 1 . . . . 47 LEU C . 11218 1 513 . 1 1 47 47 LEU CA C 13 54.776 0.300 . 1 . . . . 47 LEU CA . 11218 1 514 . 1 1 47 47 LEU CB C 13 41.047 0.300 . 1 . . . . 47 LEU CB . 11218 1 515 . 1 1 47 47 LEU CD1 C 13 24.951 0.300 . 2 . . . . 47 LEU CD1 . 11218 1 516 . 1 1 47 47 LEU CD2 C 13 23.905 0.300 . 2 . . . . 47 LEU CD2 . 11218 1 517 . 1 1 47 47 LEU CG C 13 26.826 0.300 . 1 . . . . 47 LEU CG . 11218 1 518 . 1 1 47 47 LEU N N 15 123.681 0.300 . 1 . . . . 47 LEU N . 11218 1 519 . 1 1 48 48 VAL H H 1 7.858 0.030 . 1 . . . . 48 VAL H . 11218 1 520 . 1 1 48 48 VAL HA H 1 5.139 0.030 . 1 . . . . 48 VAL HA . 11218 1 521 . 1 1 48 48 VAL HB H 1 1.908 0.030 . 1 . . . . 48 VAL HB . 11218 1 522 . 1 1 48 48 VAL HG11 H 1 0.766 0.030 . 1 . . . . 48 VAL HG1 . 11218 1 523 . 1 1 48 48 VAL HG12 H 1 0.766 0.030 . 1 . . . . 48 VAL HG1 . 11218 1 524 . 1 1 48 48 VAL HG13 H 1 0.766 0.030 . 1 . . . . 48 VAL HG1 . 11218 1 525 . 1 1 48 48 VAL HG21 H 1 0.746 0.030 . 1 . . . . 48 VAL HG2 . 11218 1 526 . 1 1 48 48 VAL HG22 H 1 0.746 0.030 . 1 . . . . 48 VAL HG2 . 11218 1 527 . 1 1 48 48 VAL HG23 H 1 0.746 0.030 . 1 . . . . 48 VAL HG2 . 11218 1 528 . 1 1 48 48 VAL C C 13 175.322 0.300 . 1 . . . . 48 VAL C . 11218 1 529 . 1 1 48 48 VAL CA C 13 58.780 0.300 . 1 . . . . 48 VAL CA . 11218 1 530 . 1 1 48 48 VAL CB C 13 35.871 0.300 . 1 . . . . 48 VAL CB . 11218 1 531 . 1 1 48 48 VAL CG1 C 13 21.870 0.300 . 2 . . . . 48 VAL CG1 . 11218 1 532 . 1 1 48 48 VAL CG2 C 13 17.880 0.300 . 2 . . . . 48 VAL CG2 . 11218 1 533 . 1 1 48 48 VAL N N 15 116.090 0.300 . 1 . . . . 48 VAL N . 11218 1 534 . 1 1 49 49 THR H H 1 8.723 0.030 . 1 . . . . 49 THR H . 11218 1 535 . 1 1 49 49 THR HA H 1 4.354 0.030 . 1 . . . . 49 THR HA . 11218 1 536 . 1 1 49 49 THR HB H 1 3.847 0.030 . 1 . . . . 49 THR HB . 11218 1 537 . 1 1 49 49 THR HG21 H 1 1.231 0.030 . 1 . . . . 49 THR HG2 . 11218 1 538 . 1 1 49 49 THR HG22 H 1 1.231 0.030 . 1 . . . . 49 THR HG2 . 11218 1 539 . 1 1 49 49 THR HG23 H 1 1.231 0.030 . 1 . . . . 49 THR HG2 . 11218 1 540 . 1 1 49 49 THR C C 13 171.284 0.300 . 1 . . . . 49 THR C . 11218 1 541 . 1 1 49 49 THR CA C 13 61.843 0.300 . 1 . . . . 49 THR CA . 11218 1 542 . 1 1 49 49 THR CB C 13 71.797 0.300 . 1 . . . . 49 THR CB . 11218 1 543 . 1 1 49 49 THR CG2 C 13 21.937 0.300 . 1 . . . . 49 THR CG2 . 11218 1 544 . 1 1 49 49 THR N N 15 117.216 0.300 . 1 . . . . 49 THR N . 11218 1 545 . 1 1 50 50 LEU H H 1 9.290 0.030 . 1 . . . . 50 LEU H . 11218 1 546 . 1 1 50 50 LEU HA H 1 5.078 0.030 . 1 . . . . 50 LEU HA . 11218 1 547 . 1 1 50 50 LEU HB2 H 1 2.032 0.030 . 2 . . . . 50 LEU HB2 . 11218 1 548 . 1 1 50 50 LEU HB3 H 1 1.119 0.030 . 2 . . . . 50 LEU HB3 . 11218 1 549 . 1 1 50 50 LEU HD11 H 1 0.576 0.030 . 1 . . . . 50 LEU HD1 . 11218 1 550 . 1 1 50 50 LEU HD12 H 1 0.576 0.030 . 1 . . . . 50 LEU HD1 . 11218 1 551 . 1 1 50 50 LEU HD13 H 1 0.576 0.030 . 1 . . . . 50 LEU HD1 . 11218 1 552 . 1 1 50 50 LEU HD21 H 1 0.169 0.030 . 1 . . . . 50 LEU HD2 . 11218 1 553 . 1 1 50 50 LEU HD22 H 1 0.169 0.030 . 1 . . . . 50 LEU HD2 . 11218 1 554 . 1 1 50 50 LEU HD23 H 1 0.169 0.030 . 1 . . . . 50 LEU HD2 . 11218 1 555 . 1 1 50 50 LEU HG H 1 1.377 0.030 . 1 . . . . 50 LEU HG . 11218 1 556 . 1 1 50 50 LEU C C 13 175.044 0.300 . 1 . . . . 50 LEU C . 11218 1 557 . 1 1 50 50 LEU CA C 13 53.464 0.300 . 1 . . . . 50 LEU CA . 11218 1 558 . 1 1 50 50 LEU CB C 13 44.697 0.300 . 1 . . . . 50 LEU CB . 11218 1 559 . 1 1 50 50 LEU CD1 C 13 24.595 0.300 . 2 . . . . 50 LEU CD1 . 11218 1 560 . 1 1 50 50 LEU CD2 C 13 26.126 0.300 . 2 . . . . 50 LEU CD2 . 11218 1 561 . 1 1 50 50 LEU CG C 13 27.151 0.300 . 1 . . . . 50 LEU CG . 11218 1 562 . 1 1 50 50 LEU N N 15 130.094 0.300 . 1 . . . . 50 LEU N . 11218 1 563 . 1 1 51 51 VAL H H 1 9.054 0.030 . 1 . . . . 51 VAL H . 11218 1 564 . 1 1 51 51 VAL HA H 1 5.593 0.030 . 1 . . . . 51 VAL HA . 11218 1 565 . 1 1 51 51 VAL HB H 1 1.619 0.030 . 1 . . . . 51 VAL HB . 11218 1 566 . 1 1 51 51 VAL HG11 H 1 0.760 0.030 . 1 . . . . 51 VAL HG1 . 11218 1 567 . 1 1 51 51 VAL HG12 H 1 0.760 0.030 . 1 . . . . 51 VAL HG1 . 11218 1 568 . 1 1 51 51 VAL HG13 H 1 0.760 0.030 . 1 . . . . 51 VAL HG1 . 11218 1 569 . 1 1 51 51 VAL HG21 H 1 0.809 0.030 . 1 . . . . 51 VAL HG2 . 11218 1 570 . 1 1 51 51 VAL HG22 H 1 0.809 0.030 . 1 . . . . 51 VAL HG2 . 11218 1 571 . 1 1 51 51 VAL HG23 H 1 0.809 0.030 . 1 . . . . 51 VAL HG2 . 11218 1 572 . 1 1 51 51 VAL C C 13 176.842 0.300 . 1 . . . . 51 VAL C . 11218 1 573 . 1 1 51 51 VAL CA C 13 57.180 0.300 . 1 . . . . 51 VAL CA . 11218 1 574 . 1 1 51 51 VAL CB C 13 35.464 0.300 . 1 . . . . 51 VAL CB . 11218 1 575 . 1 1 51 51 VAL CG1 C 13 22.234 0.300 . 2 . . . . 51 VAL CG1 . 11218 1 576 . 1 1 51 51 VAL CG2 C 13 20.182 0.300 . 2 . . . . 51 VAL CG2 . 11218 1 577 . 1 1 51 51 VAL N N 15 115.902 0.300 . 1 . . . . 51 VAL N . 11218 1 578 . 1 1 52 52 LEU H H 1 9.077 0.030 . 1 . . . . 52 LEU H . 11218 1 579 . 1 1 52 52 LEU HA H 1 4.448 0.030 . 1 . . . . 52 LEU HA . 11218 1 580 . 1 1 52 52 LEU HB2 H 1 2.036 0.030 . 2 . . . . 52 LEU HB2 . 11218 1 581 . 1 1 52 52 LEU HB3 H 1 1.591 0.030 . 2 . . . . 52 LEU HB3 . 11218 1 582 . 1 1 52 52 LEU HD11 H 1 1.032 0.030 . 1 . . . . 52 LEU HD1 . 11218 1 583 . 1 1 52 52 LEU HD12 H 1 1.032 0.030 . 1 . . . . 52 LEU HD1 . 11218 1 584 . 1 1 52 52 LEU HD13 H 1 1.032 0.030 . 1 . . . . 52 LEU HD1 . 11218 1 585 . 1 1 52 52 LEU HD21 H 1 0.701 0.030 . 1 . . . . 52 LEU HD2 . 11218 1 586 . 1 1 52 52 LEU HD22 H 1 0.701 0.030 . 1 . . . . 52 LEU HD2 . 11218 1 587 . 1 1 52 52 LEU HD23 H 1 0.701 0.030 . 1 . . . . 52 LEU HD2 . 11218 1 588 . 1 1 52 52 LEU HG H 1 1.677 0.030 . 1 . . . . 52 LEU HG . 11218 1 589 . 1 1 52 52 LEU C C 13 177.614 0.300 . 1 . . . . 52 LEU C . 11218 1 590 . 1 1 52 52 LEU CA C 13 55.155 0.300 . 1 . . . . 52 LEU CA . 11218 1 591 . 1 1 52 52 LEU CB C 13 40.030 0.300 . 1 . . . . 52 LEU CB . 11218 1 592 . 1 1 52 52 LEU CD1 C 13 25.106 0.300 . 2 . . . . 52 LEU CD1 . 11218 1 593 . 1 1 52 52 LEU CD2 C 13 23.794 0.300 . 2 . . . . 52 LEU CD2 . 11218 1 594 . 1 1 52 52 LEU CG C 13 26.789 0.300 . 1 . . . . 52 LEU CG . 11218 1 595 . 1 1 52 52 LEU N N 15 121.817 0.300 . 1 . . . . 52 LEU N . 11218 1 596 . 1 1 53 53 GLU H H 1 8.632 0.030 . 1 . . . . 53 GLU H . 11218 1 597 . 1 1 53 53 GLU HA H 1 3.752 0.030 . 1 . . . . 53 GLU HA . 11218 1 598 . 1 1 53 53 GLU HB2 H 1 1.777 0.030 . 2 . . . . 53 GLU HB2 . 11218 1 599 . 1 1 53 53 GLU HB3 H 1 1.228 0.030 . 2 . . . . 53 GLU HB3 . 11218 1 600 . 1 1 53 53 GLU HG2 H 1 2.225 0.030 . 2 . . . . 53 GLU HG2 . 11218 1 601 . 1 1 53 53 GLU HG3 H 1 1.721 0.030 . 2 . . . . 53 GLU HG3 . 11218 1 602 . 1 1 53 53 GLU C C 13 178.654 0.300 . 1 . . . . 53 GLU C . 11218 1 603 . 1 1 53 53 GLU CA C 13 60.432 0.300 . 1 . . . . 53 GLU CA . 11218 1 604 . 1 1 53 53 GLU CB C 13 29.322 0.300 . 1 . . . . 53 GLU CB . 11218 1 605 . 1 1 53 53 GLU CG C 13 35.740 0.300 . 1 . . . . 53 GLU CG . 11218 1 606 . 1 1 53 53 GLU N N 15 126.804 0.300 . 1 . . . . 53 GLU N . 11218 1 607 . 1 1 54 54 GLU H H 1 8.938 0.030 . 1 . . . . 54 GLU H . 11218 1 608 . 1 1 54 54 GLU HA H 1 4.134 0.030 . 1 . . . . 54 GLU HA . 11218 1 609 . 1 1 54 54 GLU HB2 H 1 2.149 0.030 . 2 . . . . 54 GLU HB2 . 11218 1 610 . 1 1 54 54 GLU HB3 H 1 1.895 0.030 . 2 . . . . 54 GLU HB3 . 11218 1 611 . 1 1 54 54 GLU HG2 H 1 2.294 0.030 . 2 . . . . 54 GLU HG2 . 11218 1 612 . 1 1 54 54 GLU HG3 H 1 2.234 0.030 . 2 . . . . 54 GLU HG3 . 11218 1 613 . 1 1 54 54 GLU C C 13 177.429 0.300 . 1 . . . . 54 GLU C . 11218 1 614 . 1 1 54 54 GLU CA C 13 59.046 0.300 . 1 . . . . 54 GLU CA . 11218 1 615 . 1 1 54 54 GLU CB C 13 29.965 0.300 . 1 . . . . 54 GLU CB . 11218 1 616 . 1 1 54 54 GLU CG C 13 36.030 0.300 . 1 . . . . 54 GLU CG . 11218 1 617 . 1 1 54 54 GLU N N 15 115.238 0.300 . 1 . . . . 54 GLU N . 11218 1 618 . 1 1 55 55 ASP H H 1 6.475 0.030 . 1 . . . . 55 ASP H . 11218 1 619 . 1 1 55 55 ASP HA H 1 4.360 0.030 . 1 . . . . 55 ASP HA . 11218 1 620 . 1 1 55 55 ASP HB2 H 1 2.752 0.030 . 2 . . . . 55 ASP HB2 . 11218 1 621 . 1 1 55 55 ASP HB3 H 1 2.311 0.030 . 2 . . . . 55 ASP HB3 . 11218 1 622 . 1 1 55 55 ASP C C 13 175.457 0.300 . 1 . . . . 55 ASP C . 11218 1 623 . 1 1 55 55 ASP CA C 13 53.129 0.300 . 1 . . . . 55 ASP CA . 11218 1 624 . 1 1 55 55 ASP CB C 13 42.245 0.300 . 1 . . . . 55 ASP CB . 11218 1 625 . 1 1 55 55 ASP N N 15 112.309 0.300 . 1 . . . . 55 ASP N . 11218 1 626 . 1 1 56 56 GLY H H 1 7.445 0.030 . 1 . . . . 56 GLY H . 11218 1 627 . 1 1 56 56 GLY HA2 H 1 2.628 0.030 . 2 . . . . 56 GLY HA2 . 11218 1 628 . 1 1 56 56 GLY HA3 H 1 2.410 0.030 . 2 . . . . 56 GLY HA3 . 11218 1 629 . 1 1 56 56 GLY C C 13 173.918 0.300 . 1 . . . . 56 GLY C . 11218 1 630 . 1 1 56 56 GLY CA C 13 45.057 0.300 . 1 . . . . 56 GLY CA . 11218 1 631 . 1 1 56 56 GLY N N 15 108.984 0.300 . 1 . . . . 56 GLY N . 11218 1 632 . 1 1 57 57 THR H H 1 7.748 0.030 . 1 . . . . 57 THR H . 11218 1 633 . 1 1 57 57 THR HA H 1 3.621 0.030 . 1 . . . . 57 THR HA . 11218 1 634 . 1 1 57 57 THR HB H 1 3.909 0.030 . 1 . . . . 57 THR HB . 11218 1 635 . 1 1 57 57 THR HG21 H 1 1.090 0.030 . 1 . . . . 57 THR HG2 . 11218 1 636 . 1 1 57 57 THR HG22 H 1 1.090 0.030 . 1 . . . . 57 THR HG2 . 11218 1 637 . 1 1 57 57 THR HG23 H 1 1.090 0.030 . 1 . . . . 57 THR HG2 . 11218 1 638 . 1 1 57 57 THR C C 13 174.418 0.300 . 1 . . . . 57 THR C . 11218 1 639 . 1 1 57 57 THR CA C 13 64.910 0.300 . 1 . . . . 57 THR CA . 11218 1 640 . 1 1 57 57 THR CB C 13 69.044 0.300 . 1 . . . . 57 THR CB . 11218 1 641 . 1 1 57 57 THR CG2 C 13 20.851 0.300 . 1 . . . . 57 THR CG2 . 11218 1 642 . 1 1 57 57 THR N N 15 117.788 0.300 . 1 . . . . 57 THR N . 11218 1 643 . 1 1 58 58 VAL H H 1 8.548 0.030 . 1 . . . . 58 VAL H . 11218 1 644 . 1 1 58 58 VAL HA H 1 3.960 0.030 . 1 . . . . 58 VAL HA . 11218 1 645 . 1 1 58 58 VAL HB H 1 1.951 0.030 . 1 . . . . 58 VAL HB . 11218 1 646 . 1 1 58 58 VAL HG11 H 1 1.030 0.030 . 1 . . . . 58 VAL HG1 . 11218 1 647 . 1 1 58 58 VAL HG12 H 1 1.030 0.030 . 1 . . . . 58 VAL HG1 . 11218 1 648 . 1 1 58 58 VAL HG13 H 1 1.030 0.030 . 1 . . . . 58 VAL HG1 . 11218 1 649 . 1 1 58 58 VAL HG21 H 1 0.890 0.030 . 1 . . . . 58 VAL HG2 . 11218 1 650 . 1 1 58 58 VAL HG22 H 1 0.890 0.030 . 1 . . . . 58 VAL HG2 . 11218 1 651 . 1 1 58 58 VAL HG23 H 1 0.890 0.030 . 1 . . . . 58 VAL HG2 . 11218 1 652 . 1 1 58 58 VAL C C 13 175.001 0.300 . 1 . . . . 58 VAL C . 11218 1 653 . 1 1 58 58 VAL CA C 13 64.146 0.300 . 1 . . . . 58 VAL CA . 11218 1 654 . 1 1 58 58 VAL CB C 13 32.264 0.300 . 1 . . . . 58 VAL CB . 11218 1 655 . 1 1 58 58 VAL CG1 C 13 22.114 0.300 . 2 . . . . 58 VAL CG1 . 11218 1 656 . 1 1 58 58 VAL CG2 C 13 21.351 0.300 . 2 . . . . 58 VAL CG2 . 11218 1 657 . 1 1 58 58 VAL N N 15 128.137 0.300 . 1 . . . . 58 VAL N . 11218 1 658 . 1 1 59 59 VAL H H 1 8.826 0.030 . 1 . . . . 59 VAL H . 11218 1 659 . 1 1 59 59 VAL HA H 1 4.346 0.030 . 1 . . . . 59 VAL HA . 11218 1 660 . 1 1 59 59 VAL HB H 1 2.104 0.030 . 1 . . . . 59 VAL HB . 11218 1 661 . 1 1 59 59 VAL HG11 H 1 1.058 0.030 . 1 . . . . 59 VAL HG1 . 11218 1 662 . 1 1 59 59 VAL HG12 H 1 1.058 0.030 . 1 . . . . 59 VAL HG1 . 11218 1 663 . 1 1 59 59 VAL HG13 H 1 1.058 0.030 . 1 . . . . 59 VAL HG1 . 11218 1 664 . 1 1 59 59 VAL HG21 H 1 1.102 0.030 . 1 . . . . 59 VAL HG2 . 11218 1 665 . 1 1 59 59 VAL HG22 H 1 1.102 0.030 . 1 . . . . 59 VAL HG2 . 11218 1 666 . 1 1 59 59 VAL HG23 H 1 1.102 0.030 . 1 . . . . 59 VAL HG2 . 11218 1 667 . 1 1 59 59 VAL C C 13 174.252 0.300 . 1 . . . . 59 VAL C . 11218 1 668 . 1 1 59 59 VAL CA C 13 61.499 0.300 . 1 . . . . 59 VAL CA . 11218 1 669 . 1 1 59 59 VAL CB C 13 31.189 0.300 . 1 . . . . 59 VAL CB . 11218 1 670 . 1 1 59 59 VAL CG1 C 13 21.664 0.300 . 2 . . . . 59 VAL CG1 . 11218 1 671 . 1 1 59 59 VAL CG2 C 13 20.185 0.300 . 2 . . . . 59 VAL CG2 . 11218 1 672 . 1 1 59 59 VAL N N 15 128.641 0.300 . 1 . . . . 59 VAL N . 11218 1 673 . 1 1 60 60 ASP H H 1 8.584 0.030 . 1 . . . . 60 ASP H . 11218 1 674 . 1 1 60 60 ASP HA H 1 4.810 0.030 . 1 . . . . 60 ASP HA . 11218 1 675 . 1 1 60 60 ASP HB2 H 1 3.026 0.030 . 2 . . . . 60 ASP HB2 . 11218 1 676 . 1 1 60 60 ASP HB3 H 1 2.450 0.030 . 2 . . . . 60 ASP HB3 . 11218 1 677 . 1 1 60 60 ASP C C 13 176.050 0.300 . 1 . . . . 60 ASP C . 11218 1 678 . 1 1 60 60 ASP CA C 13 52.999 0.300 . 1 . . . . 60 ASP CA . 11218 1 679 . 1 1 60 60 ASP CB C 13 41.434 0.300 . 1 . . . . 60 ASP CB . 11218 1 680 . 1 1 60 60 ASP N N 15 120.821 0.300 . 1 . . . . 60 ASP N . 11218 1 681 . 1 1 61 61 THR H H 1 7.389 0.030 . 1 . . . . 61 THR H . 11218 1 682 . 1 1 61 61 THR HA H 1 4.883 0.030 . 1 . . . . 61 THR HA . 11218 1 683 . 1 1 61 61 THR HB H 1 4.667 0.030 . 1 . . . . 61 THR HB . 11218 1 684 . 1 1 61 61 THR HG21 H 1 1.321 0.030 . 1 . . . . 61 THR HG2 . 11218 1 685 . 1 1 61 61 THR HG22 H 1 1.321 0.030 . 1 . . . . 61 THR HG2 . 11218 1 686 . 1 1 61 61 THR HG23 H 1 1.321 0.030 . 1 . . . . 61 THR HG2 . 11218 1 687 . 1 1 61 61 THR C C 13 174.240 0.300 . 1 . . . . 61 THR C . 11218 1 688 . 1 1 61 61 THR CA C 13 58.922 0.300 . 1 . . . . 61 THR CA . 11218 1 689 . 1 1 61 61 THR CB C 13 72.972 0.300 . 1 . . . . 61 THR CB . 11218 1 690 . 1 1 61 61 THR CG2 C 13 21.892 0.300 . 1 . . . . 61 THR CG2 . 11218 1 691 . 1 1 61 61 THR N N 15 107.891 0.300 . 1 . . . . 61 THR N . 11218 1 692 . 1 1 62 62 GLU H H 1 9.104 0.030 . 1 . . . . 62 GLU H . 11218 1 693 . 1 1 62 62 GLU HA H 1 4.413 0.030 . 1 . . . . 62 GLU HA . 11218 1 694 . 1 1 62 62 GLU HB2 H 1 2.058 0.030 . 1 . . . . 62 GLU HB2 . 11218 1 695 . 1 1 62 62 GLU HB3 H 1 2.058 0.030 . 1 . . . . 62 GLU HB3 . 11218 1 696 . 1 1 62 62 GLU HG2 H 1 2.486 0.030 . 2 . . . . 62 GLU HG2 . 11218 1 697 . 1 1 62 62 GLU HG3 H 1 2.413 0.030 . 2 . . . . 62 GLU HG3 . 11218 1 698 . 1 1 62 62 GLU C C 13 178.690 0.300 . 1 . . . . 62 GLU C . 11218 1 699 . 1 1 62 62 GLU CA C 13 58.142 0.300 . 1 . . . . 62 GLU CA . 11218 1 700 . 1 1 62 62 GLU CB C 13 29.326 0.300 . 1 . . . . 62 GLU CB . 11218 1 701 . 1 1 62 62 GLU CG C 13 34.559 0.300 . 1 . . . . 62 GLU CG . 11218 1 702 . 1 1 62 62 GLU N N 15 125.427 0.300 . 1 . . . . 62 GLU N . 11218 1 703 . 1 1 63 63 GLU H H 1 9.038 0.030 . 1 . . . . 63 GLU H . 11218 1 704 . 1 1 63 63 GLU HA H 1 4.009 0.030 . 1 . . . . 63 GLU HA . 11218 1 705 . 1 1 63 63 GLU HB2 H 1 2.132 0.030 . 2 . . . . 63 GLU HB2 . 11218 1 706 . 1 1 63 63 GLU HB3 H 1 1.982 0.030 . 2 . . . . 63 GLU HB3 . 11218 1 707 . 1 1 63 63 GLU HG2 H 1 2.497 0.030 . 2 . . . . 63 GLU HG2 . 11218 1 708 . 1 1 63 63 GLU HG3 H 1 2.328 0.030 . 2 . . . . 63 GLU HG3 . 11218 1 709 . 1 1 63 63 GLU C C 13 178.848 0.300 . 1 . . . . 63 GLU C . 11218 1 710 . 1 1 63 63 GLU CA C 13 60.414 0.300 . 1 . . . . 63 GLU CA . 11218 1 711 . 1 1 63 63 GLU CB C 13 28.901 0.300 . 1 . . . . 63 GLU CB . 11218 1 712 . 1 1 63 63 GLU CG C 13 36.966 0.300 . 1 . . . . 63 GLU CG . 11218 1 713 . 1 1 63 63 GLU N N 15 117.087 0.300 . 1 . . . . 63 GLU N . 11218 1 714 . 1 1 64 64 PHE H H 1 7.951 0.030 . 1 . . . . 64 PHE H . 11218 1 715 . 1 1 64 64 PHE HA H 1 4.685 0.030 . 1 . . . . 64 PHE HA . 11218 1 716 . 1 1 64 64 PHE HB2 H 1 3.282 0.030 . 2 . . . . 64 PHE HB2 . 11218 1 717 . 1 1 64 64 PHE HB3 H 1 3.120 0.030 . 2 . . . . 64 PHE HB3 . 11218 1 718 . 1 1 64 64 PHE HD1 H 1 7.318 0.030 . 1 . . . . 64 PHE HD1 . 11218 1 719 . 1 1 64 64 PHE HD2 H 1 7.318 0.030 . 1 . . . . 64 PHE HD2 . 11218 1 720 . 1 1 64 64 PHE HE1 H 1 7.316 0.030 . 1 . . . . 64 PHE HE1 . 11218 1 721 . 1 1 64 64 PHE HE2 H 1 7.316 0.030 . 1 . . . . 64 PHE HE2 . 11218 1 722 . 1 1 64 64 PHE HZ H 1 7.270 0.030 . 1 . . . . 64 PHE HZ . 11218 1 723 . 1 1 64 64 PHE C C 13 179.310 0.300 . 1 . . . . 64 PHE C . 11218 1 724 . 1 1 64 64 PHE CA C 13 59.655 0.300 . 1 . . . . 64 PHE CA . 11218 1 725 . 1 1 64 64 PHE CB C 13 39.718 0.300 . 1 . . . . 64 PHE CB . 11218 1 726 . 1 1 64 64 PHE CD1 C 13 131.143 0.300 . 1 . . . . 64 PHE CD1 . 11218 1 727 . 1 1 64 64 PHE CD2 C 13 131.143 0.300 . 1 . . . . 64 PHE CD2 . 11218 1 728 . 1 1 64 64 PHE CE1 C 13 131.148 0.300 . 1 . . . . 64 PHE CE1 . 11218 1 729 . 1 1 64 64 PHE CE2 C 13 131.148 0.300 . 1 . . . . 64 PHE CE2 . 11218 1 730 . 1 1 64 64 PHE CZ C 13 129.523 0.300 . 1 . . . . 64 PHE CZ . 11218 1 731 . 1 1 64 64 PHE N N 15 118.850 0.300 . 1 . . . . 64 PHE N . 11218 1 732 . 1 1 65 65 PHE H H 1 8.380 0.030 . 1 . . . . 65 PHE H . 11218 1 733 . 1 1 65 65 PHE HA H 1 3.880 0.030 . 1 . . . . 65 PHE HA . 11218 1 734 . 1 1 65 65 PHE HB2 H 1 3.453 0.030 . 2 . . . . 65 PHE HB2 . 11218 1 735 . 1 1 65 65 PHE HB3 H 1 2.951 0.030 . 2 . . . . 65 PHE HB3 . 11218 1 736 . 1 1 65 65 PHE HD1 H 1 6.865 0.030 . 1 . . . . 65 PHE HD1 . 11218 1 737 . 1 1 65 65 PHE HD2 H 1 6.865 0.030 . 1 . . . . 65 PHE HD2 . 11218 1 738 . 1 1 65 65 PHE HE1 H 1 6.537 0.030 . 1 . . . . 65 PHE HE1 . 11218 1 739 . 1 1 65 65 PHE HE2 H 1 6.537 0.030 . 1 . . . . 65 PHE HE2 . 11218 1 740 . 1 1 65 65 PHE HZ H 1 6.580 0.030 . 1 . . . . 65 PHE HZ . 11218 1 741 . 1 1 65 65 PHE C C 13 176.597 0.300 . 1 . . . . 65 PHE C . 11218 1 742 . 1 1 65 65 PHE CA C 13 61.660 0.300 . 1 . . . . 65 PHE CA . 11218 1 743 . 1 1 65 65 PHE CB C 13 39.734 0.300 . 1 . . . . 65 PHE CB . 11218 1 744 . 1 1 65 65 PHE CD1 C 13 131.180 0.300 . 1 . . . . 65 PHE CD1 . 11218 1 745 . 1 1 65 65 PHE CD2 C 13 131.180 0.300 . 1 . . . . 65 PHE CD2 . 11218 1 746 . 1 1 65 65 PHE CE1 C 13 130.320 0.300 . 1 . . . . 65 PHE CE1 . 11218 1 747 . 1 1 65 65 PHE CE2 C 13 130.320 0.300 . 1 . . . . 65 PHE CE2 . 11218 1 748 . 1 1 65 65 PHE CZ C 13 130.278 0.300 . 1 . . . . 65 PHE CZ . 11218 1 749 . 1 1 65 65 PHE N N 15 121.945 0.300 . 1 . . . . 65 PHE N . 11218 1 750 . 1 1 66 66 GLN H H 1 8.267 0.030 . 1 . . . . 66 GLN H . 11218 1 751 . 1 1 66 66 GLN HA H 1 3.906 0.030 . 1 . . . . 66 GLN HA . 11218 1 752 . 1 1 66 66 GLN HB2 H 1 2.348 0.030 . 2 . . . . 66 GLN HB2 . 11218 1 753 . 1 1 66 66 GLN HB3 H 1 2.063 0.030 . 2 . . . . 66 GLN HB3 . 11218 1 754 . 1 1 66 66 GLN HE21 H 1 8.471 0.030 . 2 . . . . 66 GLN HE21 . 11218 1 755 . 1 1 66 66 GLN HE22 H 1 6.884 0.030 . 2 . . . . 66 GLN HE22 . 11218 1 756 . 1 1 66 66 GLN HG2 H 1 2.870 0.030 . 2 . . . . 66 GLN HG2 . 11218 1 757 . 1 1 66 66 GLN HG3 H 1 2.777 0.030 . 2 . . . . 66 GLN HG3 . 11218 1 758 . 1 1 66 66 GLN C C 13 176.952 0.300 . 1 . . . . 66 GLN C . 11218 1 759 . 1 1 66 66 GLN CA C 13 57.518 0.300 . 1 . . . . 66 GLN CA . 11218 1 760 . 1 1 66 66 GLN CB C 13 27.868 0.300 . 1 . . . . 66 GLN CB . 11218 1 761 . 1 1 66 66 GLN CG C 13 33.222 0.300 . 1 . . . . 66 GLN CG . 11218 1 762 . 1 1 66 66 GLN N N 15 114.078 0.300 . 1 . . . . 66 GLN N . 11218 1 763 . 1 1 66 66 GLN NE2 N 15 112.848 0.300 . 1 . . . . 66 GLN NE2 . 11218 1 764 . 1 1 67 67 THR H H 1 7.611 0.030 . 1 . . . . 67 THR H . 11218 1 765 . 1 1 67 67 THR HA H 1 4.290 0.030 . 1 . . . . 67 THR HA . 11218 1 766 . 1 1 67 67 THR HB H 1 4.286 0.030 . 1 . . . . 67 THR HB . 11218 1 767 . 1 1 67 67 THR HG21 H 1 1.392 0.030 . 1 . . . . 67 THR HG2 . 11218 1 768 . 1 1 67 67 THR HG22 H 1 1.392 0.030 . 1 . . . . 67 THR HG2 . 11218 1 769 . 1 1 67 67 THR HG23 H 1 1.392 0.030 . 1 . . . . 67 THR HG2 . 11218 1 770 . 1 1 67 67 THR C C 13 174.907 0.300 . 1 . . . . 67 THR C . 11218 1 771 . 1 1 67 67 THR CA C 13 62.534 0.300 . 1 . . . . 67 THR CA . 11218 1 772 . 1 1 67 67 THR CB C 13 70.105 0.300 . 1 . . . . 67 THR CB . 11218 1 773 . 1 1 67 67 THR CG2 C 13 21.422 0.300 . 1 . . . . 67 THR CG2 . 11218 1 774 . 1 1 67 67 THR N N 15 108.974 0.300 . 1 . . . . 67 THR N . 11218 1 775 . 1 1 68 68 LEU H H 1 7.265 0.030 . 1 . . . . 68 LEU H . 11218 1 776 . 1 1 68 68 LEU HA H 1 4.218 0.030 . 1 . . . . 68 LEU HA . 11218 1 777 . 1 1 68 68 LEU HB2 H 1 1.755 0.030 . 2 . . . . 68 LEU HB2 . 11218 1 778 . 1 1 68 68 LEU HB3 H 1 1.445 0.030 . 2 . . . . 68 LEU HB3 . 11218 1 779 . 1 1 68 68 LEU HD11 H 1 0.912 0.030 . 1 . . . . 68 LEU HD1 . 11218 1 780 . 1 1 68 68 LEU HD12 H 1 0.912 0.030 . 1 . . . . 68 LEU HD1 . 11218 1 781 . 1 1 68 68 LEU HD13 H 1 0.912 0.030 . 1 . . . . 68 LEU HD1 . 11218 1 782 . 1 1 68 68 LEU HD21 H 1 0.589 0.030 . 1 . . . . 68 LEU HD2 . 11218 1 783 . 1 1 68 68 LEU HD22 H 1 0.589 0.030 . 1 . . . . 68 LEU HD2 . 11218 1 784 . 1 1 68 68 LEU HD23 H 1 0.589 0.030 . 1 . . . . 68 LEU HD2 . 11218 1 785 . 1 1 68 68 LEU HG H 1 1.542 0.030 . 1 . . . . 68 LEU HG . 11218 1 786 . 1 1 68 68 LEU C C 13 178.133 0.300 . 1 . . . . 68 LEU C . 11218 1 787 . 1 1 68 68 LEU CA C 13 54.379 0.300 . 1 . . . . 68 LEU CA . 11218 1 788 . 1 1 68 68 LEU CB C 13 40.693 0.300 . 1 . . . . 68 LEU CB . 11218 1 789 . 1 1 68 68 LEU CD1 C 13 27.781 0.300 . 2 . . . . 68 LEU CD1 . 11218 1 790 . 1 1 68 68 LEU CD2 C 13 21.789 0.300 . 2 . . . . 68 LEU CD2 . 11218 1 791 . 1 1 68 68 LEU CG C 13 25.743 0.300 . 1 . . . . 68 LEU CG . 11218 1 792 . 1 1 68 68 LEU N N 15 123.049 0.300 . 1 . . . . 68 LEU N . 11218 1 793 . 1 1 69 69 GLY H H 1 8.582 0.030 . 1 . . . . 69 GLY H . 11218 1 794 . 1 1 69 69 GLY HA2 H 1 4.104 0.030 . 2 . . . . 69 GLY HA2 . 11218 1 795 . 1 1 69 69 GLY HA3 H 1 3.770 0.030 . 2 . . . . 69 GLY HA3 . 11218 1 796 . 1 1 69 69 GLY C C 13 174.237 0.300 . 1 . . . . 69 GLY C . 11218 1 797 . 1 1 69 69 GLY CA C 13 44.343 0.300 . 1 . . . . 69 GLY CA . 11218 1 798 . 1 1 69 69 GLY N N 15 108.271 0.300 . 1 . . . . 69 GLY N . 11218 1 799 . 1 1 70 70 ASP H H 1 8.709 0.030 . 1 . . . . 70 ASP H . 11218 1 800 . 1 1 70 70 ASP HA H 1 3.907 0.030 . 1 . . . . 70 ASP HA . 11218 1 801 . 1 1 70 70 ASP HB2 H 1 2.493 0.030 . 2 . . . . 70 ASP HB2 . 11218 1 802 . 1 1 70 70 ASP HB3 H 1 2.343 0.030 . 2 . . . . 70 ASP HB3 . 11218 1 803 . 1 1 70 70 ASP C C 13 176.673 0.300 . 1 . . . . 70 ASP C . 11218 1 804 . 1 1 70 70 ASP CA C 13 55.626 0.300 . 1 . . . . 70 ASP CA . 11218 1 805 . 1 1 70 70 ASP CB C 13 39.947 0.300 . 1 . . . . 70 ASP CB . 11218 1 806 . 1 1 70 70 ASP N N 15 121.958 0.300 . 1 . . . . 70 ASP N . 11218 1 807 . 1 1 71 71 ASN H H 1 9.452 0.030 . 1 . . . . 71 ASN H . 11218 1 808 . 1 1 71 71 ASN HA H 1 4.064 0.030 . 1 . . . . 71 ASN HA . 11218 1 809 . 1 1 71 71 ASN HB2 H 1 2.940 0.030 . 2 . . . . 71 ASN HB2 . 11218 1 810 . 1 1 71 71 ASN HB3 H 1 2.862 0.030 . 2 . . . . 71 ASN HB3 . 11218 1 811 . 1 1 71 71 ASN HD21 H 1 7.528 0.030 . 2 . . . . 71 ASN HD21 . 11218 1 812 . 1 1 71 71 ASN HD22 H 1 6.894 0.030 . 2 . . . . 71 ASN HD22 . 11218 1 813 . 1 1 71 71 ASN C C 13 174.603 0.300 . 1 . . . . 71 ASN C . 11218 1 814 . 1 1 71 71 ASN CA C 13 55.093 0.300 . 1 . . . . 71 ASN CA . 11218 1 815 . 1 1 71 71 ASN CB C 13 37.271 0.300 . 1 . . . . 71 ASN CB . 11218 1 816 . 1 1 71 71 ASN N N 15 115.107 0.300 . 1 . . . . 71 ASN N . 11218 1 817 . 1 1 71 71 ASN ND2 N 15 113.636 0.300 . 1 . . . . 71 ASN ND2 . 11218 1 818 . 1 1 72 72 THR H H 1 7.537 0.030 . 1 . . . . 72 THR H . 11218 1 819 . 1 1 72 72 THR HA H 1 3.915 0.030 . 1 . . . . 72 THR HA . 11218 1 820 . 1 1 72 72 THR HB H 1 3.984 0.030 . 1 . . . . 72 THR HB . 11218 1 821 . 1 1 72 72 THR HG21 H 1 0.524 0.030 . 1 . . . . 72 THR HG2 . 11218 1 822 . 1 1 72 72 THR HG22 H 1 0.524 0.030 . 1 . . . . 72 THR HG2 . 11218 1 823 . 1 1 72 72 THR HG23 H 1 0.524 0.030 . 1 . . . . 72 THR HG2 . 11218 1 824 . 1 1 72 72 THR C C 13 171.372 0.300 . 1 . . . . 72 THR C . 11218 1 825 . 1 1 72 72 THR CA C 13 66.682 0.300 . 1 . . . . 72 THR CA . 11218 1 826 . 1 1 72 72 THR CB C 13 69.205 0.300 . 1 . . . . 72 THR CB . 11218 1 827 . 1 1 72 72 THR CG2 C 13 22.634 0.300 . 1 . . . . 72 THR CG2 . 11218 1 828 . 1 1 72 72 THR N N 15 116.659 0.300 . 1 . . . . 72 THR N . 11218 1 829 . 1 1 73 73 HIS H H 1 8.636 0.030 . 1 . . . . 73 HIS H . 11218 1 830 . 1 1 73 73 HIS HA H 1 5.517 0.030 . 1 . . . . 73 HIS HA . 11218 1 831 . 1 1 73 73 HIS HB2 H 1 3.547 0.030 . 2 . . . . 73 HIS HB2 . 11218 1 832 . 1 1 73 73 HIS HB3 H 1 2.977 0.030 . 2 . . . . 73 HIS HB3 . 11218 1 833 . 1 1 73 73 HIS HD2 H 1 7.257 0.030 . 1 . . . . 73 HIS HD2 . 11218 1 834 . 1 1 73 73 HIS HE1 H 1 7.781 0.030 . 1 . . . . 73 HIS HE1 . 11218 1 835 . 1 1 73 73 HIS C C 13 175.036 0.300 . 1 . . . . 73 HIS C . 11218 1 836 . 1 1 73 73 HIS CA C 13 52.915 0.300 . 1 . . . . 73 HIS CA . 11218 1 837 . 1 1 73 73 HIS CB C 13 30.580 0.300 . 1 . . . . 73 HIS CB . 11218 1 838 . 1 1 73 73 HIS CD2 C 13 124.019 0.300 . 1 . . . . 73 HIS CD2 . 11218 1 839 . 1 1 73 73 HIS CE1 C 13 137.407 0.300 . 1 . . . . 73 HIS CE1 . 11218 1 840 . 1 1 73 73 HIS N N 15 125.867 0.300 . 1 . . . . 73 HIS N . 11218 1 841 . 1 1 74 74 PHE H H 1 9.948 0.030 . 1 . . . . 74 PHE H . 11218 1 842 . 1 1 74 74 PHE HA H 1 5.595 0.030 . 1 . . . . 74 PHE HA . 11218 1 843 . 1 1 74 74 PHE HB2 H 1 3.291 0.030 . 2 . . . . 74 PHE HB2 . 11218 1 844 . 1 1 74 74 PHE HB3 H 1 2.942 0.030 . 2 . . . . 74 PHE HB3 . 11218 1 845 . 1 1 74 74 PHE HD1 H 1 7.152 0.030 . 1 . . . . 74 PHE HD1 . 11218 1 846 . 1 1 74 74 PHE HD2 H 1 7.152 0.030 . 1 . . . . 74 PHE HD2 . 11218 1 847 . 1 1 74 74 PHE HE1 H 1 7.021 0.030 . 1 . . . . 74 PHE HE1 . 11218 1 848 . 1 1 74 74 PHE HE2 H 1 7.021 0.030 . 1 . . . . 74 PHE HE2 . 11218 1 849 . 1 1 74 74 PHE HZ H 1 6.703 0.030 . 1 . . . . 74 PHE HZ . 11218 1 850 . 1 1 74 74 PHE C C 13 174.882 0.300 . 1 . . . . 74 PHE C . 11218 1 851 . 1 1 74 74 PHE CA C 13 56.880 0.300 . 1 . . . . 74 PHE CA . 11218 1 852 . 1 1 74 74 PHE CB C 13 43.714 0.300 . 1 . . . . 74 PHE CB . 11218 1 853 . 1 1 74 74 PHE CD1 C 13 131.614 0.300 . 1 . . . . 74 PHE CD1 . 11218 1 854 . 1 1 74 74 PHE CD2 C 13 131.614 0.300 . 1 . . . . 74 PHE CD2 . 11218 1 855 . 1 1 74 74 PHE CE1 C 13 131.412 0.300 . 1 . . . . 74 PHE CE1 . 11218 1 856 . 1 1 74 74 PHE CE2 C 13 131.412 0.300 . 1 . . . . 74 PHE CE2 . 11218 1 857 . 1 1 74 74 PHE CZ C 13 128.471 0.300 . 1 . . . . 74 PHE CZ . 11218 1 858 . 1 1 74 74 PHE N N 15 126.452 0.300 . 1 . . . . 74 PHE N . 11218 1 859 . 1 1 75 75 MET H H 1 9.888 0.030 . 1 . . . . 75 MET H . 11218 1 860 . 1 1 75 75 MET HA H 1 5.483 0.030 . 1 . . . . 75 MET HA . 11218 1 861 . 1 1 75 75 MET HB2 H 1 1.901 0.030 . 2 . . . . 75 MET HB2 . 11218 1 862 . 1 1 75 75 MET HB3 H 1 1.773 0.030 . 2 . . . . 75 MET HB3 . 11218 1 863 . 1 1 75 75 MET HE1 H 1 2.159 0.030 . 1 . . . . 75 MET HE . 11218 1 864 . 1 1 75 75 MET HE2 H 1 2.159 0.030 . 1 . . . . 75 MET HE . 11218 1 865 . 1 1 75 75 MET HE3 H 1 2.159 0.030 . 1 . . . . 75 MET HE . 11218 1 866 . 1 1 75 75 MET HG2 H 1 2.189 0.030 . 2 . . . . 75 MET HG2 . 11218 1 867 . 1 1 75 75 MET HG3 H 1 2.124 0.030 . 2 . . . . 75 MET HG3 . 11218 1 868 . 1 1 75 75 MET C C 13 173.584 0.300 . 1 . . . . 75 MET C . 11218 1 869 . 1 1 75 75 MET CA C 13 53.793 0.300 . 1 . . . . 75 MET CA . 11218 1 870 . 1 1 75 75 MET CB C 13 37.998 0.300 . 1 . . . . 75 MET CB . 11218 1 871 . 1 1 75 75 MET CE C 13 16.522 0.300 . 1 . . . . 75 MET CE . 11218 1 872 . 1 1 75 75 MET CG C 13 30.549 0.300 . 1 . . . . 75 MET CG . 11218 1 873 . 1 1 75 75 MET N N 15 122.088 0.300 . 1 . . . . 75 MET N . 11218 1 874 . 1 1 76 76 ILE H H 1 8.594 0.030 . 1 . . . . 76 ILE H . 11218 1 875 . 1 1 76 76 ILE HA H 1 5.148 0.030 . 1 . . . . 76 ILE HA . 11218 1 876 . 1 1 76 76 ILE HB H 1 1.421 0.030 . 1 . . . . 76 ILE HB . 11218 1 877 . 1 1 76 76 ILE HD11 H 1 0.769 0.030 . 1 . . . . 76 ILE HD1 . 11218 1 878 . 1 1 76 76 ILE HD12 H 1 0.769 0.030 . 1 . . . . 76 ILE HD1 . 11218 1 879 . 1 1 76 76 ILE HD13 H 1 0.769 0.030 . 1 . . . . 76 ILE HD1 . 11218 1 880 . 1 1 76 76 ILE HG12 H 1 1.343 0.030 . 2 . . . . 76 ILE HG12 . 11218 1 881 . 1 1 76 76 ILE HG13 H 1 1.002 0.030 . 2 . . . . 76 ILE HG13 . 11218 1 882 . 1 1 76 76 ILE HG21 H 1 0.875 0.030 . 1 . . . . 76 ILE HG2 . 11218 1 883 . 1 1 76 76 ILE HG22 H 1 0.875 0.030 . 1 . . . . 76 ILE HG2 . 11218 1 884 . 1 1 76 76 ILE HG23 H 1 0.875 0.030 . 1 . . . . 76 ILE HG2 . 11218 1 885 . 1 1 76 76 ILE C C 13 173.022 0.300 . 1 . . . . 76 ILE C . 11218 1 886 . 1 1 76 76 ILE CA C 13 57.189 0.300 . 1 . . . . 76 ILE CA . 11218 1 887 . 1 1 76 76 ILE CB C 13 41.681 0.300 . 1 . . . . 76 ILE CB . 11218 1 888 . 1 1 76 76 ILE CD1 C 13 14.572 0.300 . 1 . . . . 76 ILE CD1 . 11218 1 889 . 1 1 76 76 ILE CG1 C 13 29.372 0.300 . 1 . . . . 76 ILE CG1 . 11218 1 890 . 1 1 76 76 ILE CG2 C 13 17.280 0.300 . 1 . . . . 76 ILE CG2 . 11218 1 891 . 1 1 76 76 ILE N N 15 124.538 0.300 . 1 . . . . 76 ILE N . 11218 1 892 . 1 1 77 77 LEU H H 1 9.141 0.030 . 1 . . . . 77 LEU H . 11218 1 893 . 1 1 77 77 LEU HA H 1 4.831 0.030 . 1 . . . . 77 LEU HA . 11218 1 894 . 1 1 77 77 LEU HB2 H 1 1.875 0.030 . 2 . . . . 77 LEU HB2 . 11218 1 895 . 1 1 77 77 LEU HB3 H 1 1.359 0.030 . 2 . . . . 77 LEU HB3 . 11218 1 896 . 1 1 77 77 LEU HD11 H 1 0.954 0.030 . 1 . . . . 77 LEU HD1 . 11218 1 897 . 1 1 77 77 LEU HD12 H 1 0.954 0.030 . 1 . . . . 77 LEU HD1 . 11218 1 898 . 1 1 77 77 LEU HD13 H 1 0.954 0.030 . 1 . . . . 77 LEU HD1 . 11218 1 899 . 1 1 77 77 LEU HD21 H 1 0.804 0.030 . 1 . . . . 77 LEU HD2 . 11218 1 900 . 1 1 77 77 LEU HD22 H 1 0.804 0.030 . 1 . . . . 77 LEU HD2 . 11218 1 901 . 1 1 77 77 LEU HD23 H 1 0.804 0.030 . 1 . . . . 77 LEU HD2 . 11218 1 902 . 1 1 77 77 LEU HG H 1 1.541 0.030 . 1 . . . . 77 LEU HG . 11218 1 903 . 1 1 77 77 LEU C C 13 177.478 0.300 . 1 . . . . 77 LEU C . 11218 1 904 . 1 1 77 77 LEU CA C 13 53.147 0.300 . 1 . . . . 77 LEU CA . 11218 1 905 . 1 1 77 77 LEU CB C 13 43.517 0.300 . 1 . . . . 77 LEU CB . 11218 1 906 . 1 1 77 77 LEU CD1 C 13 27.021 0.300 . 2 . . . . 77 LEU CD1 . 11218 1 907 . 1 1 77 77 LEU CD2 C 13 24.013 0.300 . 2 . . . . 77 LEU CD2 . 11218 1 908 . 1 1 77 77 LEU CG C 13 26.328 0.300 . 1 . . . . 77 LEU CG . 11218 1 909 . 1 1 77 77 LEU N N 15 127.413 0.300 . 1 . . . . 77 LEU N . 11218 1 910 . 1 1 78 78 GLU H H 1 8.357 0.030 . 1 . . . . 78 GLU H . 11218 1 911 . 1 1 78 78 GLU HA H 1 4.492 0.030 . 1 . . . . 78 GLU HA . 11218 1 912 . 1 1 78 78 GLU HB2 H 1 2.230 0.030 . 2 . . . . 78 GLU HB2 . 11218 1 913 . 1 1 78 78 GLU HB3 H 1 1.429 0.030 . 2 . . . . 78 GLU HB3 . 11218 1 914 . 1 1 78 78 GLU HG2 H 1 2.121 0.030 . 2 . . . . 78 GLU HG2 . 11218 1 915 . 1 1 78 78 GLU HG3 H 1 1.990 0.030 . 2 . . . . 78 GLU HG3 . 11218 1 916 . 1 1 78 78 GLU C C 13 175.798 0.300 . 1 . . . . 78 GLU C . 11218 1 917 . 1 1 78 78 GLU CA C 13 55.309 0.300 . 1 . . . . 78 GLU CA . 11218 1 918 . 1 1 78 78 GLU CB C 13 31.505 0.300 . 1 . . . . 78 GLU CB . 11218 1 919 . 1 1 78 78 GLU CG C 13 38.138 0.300 . 1 . . . . 78 GLU CG . 11218 1 920 . 1 1 78 78 GLU N N 15 123.172 0.300 . 1 . . . . 78 GLU N . 11218 1 921 . 1 1 79 79 LYS H H 1 8.495 0.030 . 1 . . . . 79 LYS H . 11218 1 922 . 1 1 79 79 LYS HA H 1 3.973 0.030 . 1 . . . . 79 LYS HA . 11218 1 923 . 1 1 79 79 LYS HB2 H 1 1.837 0.030 . 2 . . . . 79 LYS HB2 . 11218 1 924 . 1 1 79 79 LYS HB3 H 1 1.779 0.030 . 2 . . . . 79 LYS HB3 . 11218 1 925 . 1 1 79 79 LYS HD2 H 1 1.698 0.030 . 1 . . . . 79 LYS HD2 . 11218 1 926 . 1 1 79 79 LYS HD3 H 1 1.698 0.030 . 1 . . . . 79 LYS HD3 . 11218 1 927 . 1 1 79 79 LYS HE2 H 1 2.978 0.030 . 1 . . . . 79 LYS HE2 . 11218 1 928 . 1 1 79 79 LYS HE3 H 1 2.978 0.030 . 1 . . . . 79 LYS HE3 . 11218 1 929 . 1 1 79 79 LYS HG2 H 1 1.459 0.030 . 2 . . . . 79 LYS HG2 . 11218 1 930 . 1 1 79 79 LYS HG3 H 1 1.363 0.030 . 2 . . . . 79 LYS HG3 . 11218 1 931 . 1 1 79 79 LYS C C 13 177.679 0.300 . 1 . . . . 79 LYS C . 11218 1 932 . 1 1 79 79 LYS CA C 13 58.689 0.300 . 1 . . . . 79 LYS CA . 11218 1 933 . 1 1 79 79 LYS CB C 13 32.030 0.300 . 1 . . . . 79 LYS CB . 11218 1 934 . 1 1 79 79 LYS CD C 13 29.385 0.300 . 1 . . . . 79 LYS CD . 11218 1 935 . 1 1 79 79 LYS CE C 13 42.053 0.300 . 1 . . . . 79 LYS CE . 11218 1 936 . 1 1 79 79 LYS CG C 13 24.499 0.300 . 1 . . . . 79 LYS CG . 11218 1 937 . 1 1 79 79 LYS N N 15 121.686 0.300 . 1 . . . . 79 LYS N . 11218 1 938 . 1 1 80 80 GLY H H 1 8.840 0.030 . 1 . . . . 80 GLY H . 11218 1 939 . 1 1 80 80 GLY HA2 H 1 4.238 0.030 . 2 . . . . 80 GLY HA2 . 11218 1 940 . 1 1 80 80 GLY HA3 H 1 3.650 0.030 . 2 . . . . 80 GLY HA3 . 11218 1 941 . 1 1 80 80 GLY C C 13 174.524 0.300 . 1 . . . . 80 GLY C . 11218 1 942 . 1 1 80 80 GLY CA C 13 45.093 0.300 . 1 . . . . 80 GLY CA . 11218 1 943 . 1 1 80 80 GLY N N 15 114.351 0.300 . 1 . . . . 80 GLY N . 11218 1 944 . 1 1 81 81 GLN H H 1 8.057 0.030 . 1 . . . . 81 GLN H . 11218 1 945 . 1 1 81 81 GLN HA H 1 4.402 0.030 . 1 . . . . 81 GLN HA . 11218 1 946 . 1 1 81 81 GLN HB2 H 1 2.271 0.030 . 2 . . . . 81 GLN HB2 . 11218 1 947 . 1 1 81 81 GLN HB3 H 1 1.584 0.030 . 2 . . . . 81 GLN HB3 . 11218 1 948 . 1 1 81 81 GLN HE21 H 1 7.343 0.030 . 2 . . . . 81 GLN HE21 . 11218 1 949 . 1 1 81 81 GLN HE22 H 1 6.577 0.030 . 2 . . . . 81 GLN HE22 . 11218 1 950 . 1 1 81 81 GLN HG2 H 1 1.809 0.030 . 2 . . . . 81 GLN HG2 . 11218 1 951 . 1 1 81 81 GLN HG3 H 1 1.996 0.030 . 2 . . . . 81 GLN HG3 . 11218 1 952 . 1 1 81 81 GLN C C 13 175.019 0.300 . 1 . . . . 81 GLN C . 11218 1 953 . 1 1 81 81 GLN CA C 13 54.747 0.300 . 1 . . . . 81 GLN CA . 11218 1 954 . 1 1 81 81 GLN CB C 13 29.263 0.300 . 1 . . . . 81 GLN CB . 11218 1 955 . 1 1 81 81 GLN CG C 13 32.693 0.300 . 1 . . . . 81 GLN CG . 11218 1 956 . 1 1 81 81 GLN N N 15 119.499 0.300 . 1 . . . . 81 GLN N . 11218 1 957 . 1 1 81 81 GLN NE2 N 15 112.540 0.300 . 1 . . . . 81 GLN NE2 . 11218 1 958 . 1 1 82 82 LYS H H 1 8.544 0.030 . 1 . . . . 82 LYS H . 11218 1 959 . 1 1 82 82 LYS HA H 1 4.792 0.030 . 1 . . . . 82 LYS HA . 11218 1 960 . 1 1 82 82 LYS HB2 H 1 1.837 0.030 . 2 . . . . 82 LYS HB2 . 11218 1 961 . 1 1 82 82 LYS HB3 H 1 1.729 0.030 . 2 . . . . 82 LYS HB3 . 11218 1 962 . 1 1 82 82 LYS HD2 H 1 1.695 0.030 . 1 . . . . 82 LYS HD2 . 11218 1 963 . 1 1 82 82 LYS HD3 H 1 1.695 0.030 . 1 . . . . 82 LYS HD3 . 11218 1 964 . 1 1 82 82 LYS HE2 H 1 3.025 0.030 . 1 . . . . 82 LYS HE2 . 11218 1 965 . 1 1 82 82 LYS HE3 H 1 3.025 0.030 . 1 . . . . 82 LYS HE3 . 11218 1 966 . 1 1 82 82 LYS HG2 H 1 1.441 0.030 . 2 . . . . 82 LYS HG2 . 11218 1 967 . 1 1 82 82 LYS HG3 H 1 1.343 0.030 . 2 . . . . 82 LYS HG3 . 11218 1 968 . 1 1 82 82 LYS C C 13 175.423 0.300 . 1 . . . . 82 LYS C . 11218 1 969 . 1 1 82 82 LYS CA C 13 54.622 0.300 . 1 . . . . 82 LYS CA . 11218 1 970 . 1 1 82 82 LYS CB C 13 35.809 0.300 . 1 . . . . 82 LYS CB . 11218 1 971 . 1 1 82 82 LYS CD C 13 29.239 0.300 . 1 . . . . 82 LYS CD . 11218 1 972 . 1 1 82 82 LYS CE C 13 42.201 0.300 . 1 . . . . 82 LYS CE . 11218 1 973 . 1 1 82 82 LYS CG C 13 24.093 0.300 . 1 . . . . 82 LYS CG . 11218 1 974 . 1 1 82 82 LYS N N 15 119.438 0.300 . 1 . . . . 82 LYS N . 11218 1 975 . 1 1 83 83 TRP H H 1 9.031 0.030 . 1 . . . . 83 TRP H . 11218 1 976 . 1 1 83 83 TRP HA H 1 4.188 0.030 . 1 . . . . 83 TRP HA . 11218 1 977 . 1 1 83 83 TRP HB2 H 1 3.317 0.030 . 2 . . . . 83 TRP HB2 . 11218 1 978 . 1 1 83 83 TRP HB3 H 1 3.087 0.030 . 2 . . . . 83 TRP HB3 . 11218 1 979 . 1 1 83 83 TRP HD1 H 1 7.424 0.030 . 1 . . . . 83 TRP HD1 . 11218 1 980 . 1 1 83 83 TRP HE1 H 1 10.049 0.030 . 1 . . . . 83 TRP HE1 . 11218 1 981 . 1 1 83 83 TRP HE3 H 1 7.341 0.030 . 1 . . . . 83 TRP HE3 . 11218 1 982 . 1 1 83 83 TRP HH2 H 1 7.121 0.030 . 1 . . . . 83 TRP HH2 . 11218 1 983 . 1 1 83 83 TRP HZ2 H 1 7.182 0.030 . 1 . . . . 83 TRP HZ2 . 11218 1 984 . 1 1 83 83 TRP HZ3 H 1 6.989 0.030 . 1 . . . . 83 TRP HZ3 . 11218 1 985 . 1 1 83 83 TRP C C 13 174.724 0.300 . 1 . . . . 83 TRP C . 11218 1 986 . 1 1 83 83 TRP CA C 13 60.043 0.300 . 1 . . . . 83 TRP CA . 11218 1 987 . 1 1 83 83 TRP CB C 13 29.059 0.300 . 1 . . . . 83 TRP CB . 11218 1 988 . 1 1 83 83 TRP CD1 C 13 126.804 0.300 . 1 . . . . 83 TRP CD1 . 11218 1 989 . 1 1 83 83 TRP CE3 C 13 120.311 0.300 . 1 . . . . 83 TRP CE3 . 11218 1 990 . 1 1 83 83 TRP CH2 C 13 124.058 0.300 . 1 . . . . 83 TRP CH2 . 11218 1 991 . 1 1 83 83 TRP CZ2 C 13 113.581 0.300 . 1 . . . . 83 TRP CZ2 . 11218 1 992 . 1 1 83 83 TRP CZ3 C 13 121.532 0.300 . 1 . . . . 83 TRP CZ3 . 11218 1 993 . 1 1 83 83 TRP N N 15 124.224 0.300 . 1 . . . . 83 TRP N . 11218 1 994 . 1 1 83 83 TRP NE1 N 15 129.720 0.300 . 1 . . . . 83 TRP NE1 . 11218 1 995 . 1 1 84 84 MET H H 1 6.649 0.030 . 1 . . . . 84 MET H . 11218 1 996 . 1 1 84 84 MET HA H 1 4.168 0.030 . 1 . . . . 84 MET HA . 11218 1 997 . 1 1 84 84 MET HB2 H 1 1.716 0.030 . 2 . . . . 84 MET HB2 . 11218 1 998 . 1 1 84 84 MET HB3 H 1 1.569 0.030 . 2 . . . . 84 MET HB3 . 11218 1 999 . 1 1 84 84 MET HE1 H 1 2.039 0.030 . 1 . . . . 84 MET HE . 11218 1 1000 . 1 1 84 84 MET HE2 H 1 2.039 0.030 . 1 . . . . 84 MET HE . 11218 1 1001 . 1 1 84 84 MET HE3 H 1 2.039 0.030 . 1 . . . . 84 MET HE . 11218 1 1002 . 1 1 84 84 MET HG2 H 1 2.388 0.030 . 2 . . . . 84 MET HG2 . 11218 1 1003 . 1 1 84 84 MET HG3 H 1 2.359 0.030 . 2 . . . . 84 MET HG3 . 11218 1 1004 . 1 1 84 84 MET C C 13 171.816 0.300 . 1 . . . . 84 MET C . 11218 1 1005 . 1 1 84 84 MET CA C 13 51.855 0.300 . 1 . . . . 84 MET CA . 11218 1 1006 . 1 1 84 84 MET CB C 13 34.247 0.300 . 1 . . . . 84 MET CB . 11218 1 1007 . 1 1 84 84 MET CE C 13 17.028 0.300 . 1 . . . . 84 MET CE . 11218 1 1008 . 1 1 84 84 MET CG C 13 31.890 0.300 . 1 . . . . 84 MET CG . 11218 1 1009 . 1 1 84 84 MET N N 15 126.192 0.300 . 1 . . . . 84 MET N . 11218 1 1010 . 1 1 85 85 PRO HA H 1 3.970 0.030 . 1 . . . . 85 PRO HA . 11218 1 1011 . 1 1 85 85 PRO HB2 H 1 2.362 0.030 . 2 . . . . 85 PRO HB2 . 11218 1 1012 . 1 1 85 85 PRO HB3 H 1 1.835 0.030 . 2 . . . . 85 PRO HB3 . 11218 1 1013 . 1 1 85 85 PRO HD2 H 1 3.087 0.030 . 2 . . . . 85 PRO HD2 . 11218 1 1014 . 1 1 85 85 PRO HD3 H 1 3.261 0.030 . 2 . . . . 85 PRO HD3 . 11218 1 1015 . 1 1 85 85 PRO HG2 H 1 2.000 0.030 . 2 . . . . 85 PRO HG2 . 11218 1 1016 . 1 1 85 85 PRO HG3 H 1 1.851 0.030 . 2 . . . . 85 PRO HG3 . 11218 1 1017 . 1 1 85 85 PRO C C 13 176.485 0.300 . 1 . . . . 85 PRO C . 11218 1 1018 . 1 1 85 85 PRO CA C 13 62.130 0.300 . 1 . . . . 85 PRO CA . 11218 1 1019 . 1 1 85 85 PRO CB C 13 32.085 0.300 . 1 . . . . 85 PRO CB . 11218 1 1020 . 1 1 85 85 PRO CD C 13 49.892 0.300 . 1 . . . . 85 PRO CD . 11218 1 1021 . 1 1 85 85 PRO CG C 13 26.777 0.300 . 1 . . . . 85 PRO CG . 11218 1 1022 . 1 1 86 86 SER H H 1 8.428 0.030 . 1 . . . . 86 SER H . 11218 1 1023 . 1 1 86 86 SER HA H 1 4.092 0.030 . 1 . . . . 86 SER HA . 11218 1 1024 . 1 1 86 86 SER HB2 H 1 3.819 0.030 . 2 . . . . 86 SER HB2 . 11218 1 1025 . 1 1 86 86 SER HB3 H 1 3.687 0.030 . 2 . . . . 86 SER HB3 . 11218 1 1026 . 1 1 86 86 SER C C 13 174.782 0.300 . 1 . . . . 86 SER C . 11218 1 1027 . 1 1 86 86 SER CA C 13 58.657 0.300 . 1 . . . . 86 SER CA . 11218 1 1028 . 1 1 86 86 SER CB C 13 63.501 0.300 . 1 . . . . 86 SER CB . 11218 1 1029 . 1 1 86 86 SER N N 15 116.303 0.300 . 1 . . . . 86 SER N . 11218 1 1030 . 1 1 87 87 GLY H H 1 8.189 0.030 . 1 . . . . 87 GLY H . 11218 1 1031 . 1 1 87 87 GLY HA2 H 1 4.032 0.030 . 2 . . . . 87 GLY HA2 . 11218 1 1032 . 1 1 87 87 GLY HA3 H 1 4.173 0.030 . 2 . . . . 87 GLY HA3 . 11218 1 1033 . 1 1 87 87 GLY C C 13 171.781 0.300 . 1 . . . . 87 GLY C . 11218 1 1034 . 1 1 87 87 GLY CA C 13 44.648 0.300 . 1 . . . . 87 GLY CA . 11218 1 1035 . 1 1 87 87 GLY N N 15 110.607 0.300 . 1 . . . . 87 GLY N . 11218 1 1036 . 1 1 88 88 PRO HA H 1 4.469 0.030 . 1 . . . . 88 PRO HA . 11218 1 1037 . 1 1 88 88 PRO HB2 H 1 2.284 0.030 . 2 . . . . 88 PRO HB2 . 11218 1 1038 . 1 1 88 88 PRO HB3 H 1 1.956 0.030 . 2 . . . . 88 PRO HB3 . 11218 1 1039 . 1 1 88 88 PRO HD2 H 1 3.610 0.030 . 1 . . . . 88 PRO HD2 . 11218 1 1040 . 1 1 88 88 PRO HD3 H 1 3.610 0.030 . 1 . . . . 88 PRO HD3 . 11218 1 1041 . 1 1 88 88 PRO HG2 H 1 2.007 0.030 . 1 . . . . 88 PRO HG2 . 11218 1 1042 . 1 1 88 88 PRO HG3 H 1 2.007 0.030 . 1 . . . . 88 PRO HG3 . 11218 1 1043 . 1 1 88 88 PRO C C 13 177.371 0.300 . 1 . . . . 88 PRO C . 11218 1 1044 . 1 1 88 88 PRO CA C 13 63.138 0.300 . 1 . . . . 88 PRO CA . 11218 1 1045 . 1 1 88 88 PRO CB C 13 32.262 0.300 . 1 . . . . 88 PRO CB . 11218 1 1046 . 1 1 88 88 PRO CD C 13 49.697 0.300 . 1 . . . . 88 PRO CD . 11218 1 1047 . 1 1 88 88 PRO CG C 13 27.040 0.300 . 1 . . . . 88 PRO CG . 11218 1 1048 . 1 1 89 89 SER H H 1 8.514 0.030 . 1 . . . . 89 SER H . 11218 1 1049 . 1 1 89 89 SER HA H 1 4.502 0.030 . 1 . . . . 89 SER HA . 11218 1 1050 . 1 1 89 89 SER HB2 H 1 3.897 0.030 . 1 . . . . 89 SER HB2 . 11218 1 1051 . 1 1 89 89 SER HB3 H 1 3.897 0.030 . 1 . . . . 89 SER HB3 . 11218 1 1052 . 1 1 89 89 SER C C 13 174.679 0.300 . 1 . . . . 89 SER C . 11218 1 1053 . 1 1 89 89 SER CA C 13 58.310 0.300 . 1 . . . . 89 SER CA . 11218 1 1054 . 1 1 89 89 SER CB C 13 63.803 0.300 . 1 . . . . 89 SER CB . 11218 1 1055 . 1 1 89 89 SER N N 15 116.469 0.300 . 1 . . . . 89 SER N . 11218 1 1056 . 1 1 90 90 SER H H 1 8.333 0.030 . 1 . . . . 90 SER H . 11218 1 1057 . 1 1 90 90 SER HA H 1 4.502 0.030 . 1 . . . . 90 SER HA . 11218 1 1058 . 1 1 90 90 SER HB2 H 1 3.906 0.030 . 1 . . . . 90 SER HB2 . 11218 1 1059 . 1 1 90 90 SER HB3 H 1 3.906 0.030 . 1 . . . . 90 SER HB3 . 11218 1 1060 . 1 1 90 90 SER C C 13 173.935 0.300 . 1 . . . . 90 SER C . 11218 1 1061 . 1 1 90 90 SER CA C 13 58.343 0.300 . 1 . . . . 90 SER CA . 11218 1 1062 . 1 1 90 90 SER CB C 13 64.091 0.300 . 1 . . . . 90 SER CB . 11218 1 1063 . 1 1 90 90 SER N N 15 117.920 0.300 . 1 . . . . 90 SER N . 11218 1 1064 . 1 1 91 91 GLY H H 1 8.045 0.030 . 1 . . . . 91 GLY H . 11218 1 1065 . 1 1 91 91 GLY HA2 H 1 3.754 0.030 . 1 . . . . 91 GLY HA2 . 11218 1 1066 . 1 1 91 91 GLY HA3 H 1 3.754 0.030 . 1 . . . . 91 GLY HA3 . 11218 1 1067 . 1 1 91 91 GLY C C 13 178.995 0.300 . 1 . . . . 91 GLY C . 11218 1 1068 . 1 1 91 91 GLY CA C 13 46.280 0.300 . 1 . . . . 91 GLY CA . 11218 1 1069 . 1 1 91 91 GLY N N 15 116.889 0.300 . 1 . . . . 91 GLY N . 11218 1 stop_ save_