data_11235 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11235 _Entry.Title ; Solution structure of the 6th Ig-like domain from human Myosin-binding protein C, fast-type ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Qin . . . 11235 2 T. Nagashima . . . 11235 3 F. Hayashi . . . 11235 4 S. Yokoyama . . . 11235 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)' . 11235 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11235 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 515 11235 '15N chemical shifts' 114 11235 '1H chemical shifts' 828 11235 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-03 2010-07-23 original author . 11235 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E7C 'BMRB Entry Tracking System' 11235 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11235 _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 6th Ig-like domain from human Myosin-binding protein C, fast-type ; _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 . . . 11235 1 2 T. Nagashima . . . 11235 1 3 F. Hayashi . . . 11235 1 4 S. Yokoyama . . . 11235 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11235 _Assembly.ID 1 _Assembly.Name 'Myosin-binding protein C, fast-type' _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 'Ig-like domain' 1 $entity_1 A . yes native no no . . . 11235 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 2e7c . . . . . . 11235 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11235 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ig-like 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 ; GSSGSSGTLAQPVTIREIAE PPKIRLPRHLRQTYIRKVGE QLNLVVPFQGKPRPQVVWTK GGAPLDTSRVHVRTSDFDTV FFVRQAARSDSGEYELSVQI ENMKDTATIRIRVVEKAG ; _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 118 _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 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2E7C . "Solution Structure Of The 6th Ig-Like Domain From Human Myosin-Binding Protein C, Fast-Type" . . . . . 100.00 118 100.00 100.00 5.94e-79 . . . . 11235 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ig-like domain' . 11235 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 . 11235 1 2 . SER . 11235 1 3 . SER . 11235 1 4 . GLY . 11235 1 5 . SER . 11235 1 6 . SER . 11235 1 7 . GLY . 11235 1 8 . THR . 11235 1 9 . LEU . 11235 1 10 . ALA . 11235 1 11 . GLN . 11235 1 12 . PRO . 11235 1 13 . VAL . 11235 1 14 . THR . 11235 1 15 . ILE . 11235 1 16 . ARG . 11235 1 17 . GLU . 11235 1 18 . ILE . 11235 1 19 . ALA . 11235 1 20 . GLU . 11235 1 21 . PRO . 11235 1 22 . PRO . 11235 1 23 . LYS . 11235 1 24 . ILE . 11235 1 25 . ARG . 11235 1 26 . LEU . 11235 1 27 . PRO . 11235 1 28 . ARG . 11235 1 29 . HIS . 11235 1 30 . LEU . 11235 1 31 . ARG . 11235 1 32 . GLN . 11235 1 33 . THR . 11235 1 34 . TYR . 11235 1 35 . ILE . 11235 1 36 . ARG . 11235 1 37 . LYS . 11235 1 38 . VAL . 11235 1 39 . GLY . 11235 1 40 . GLU . 11235 1 41 . GLN . 11235 1 42 . LEU . 11235 1 43 . ASN . 11235 1 44 . LEU . 11235 1 45 . VAL . 11235 1 46 . VAL . 11235 1 47 . PRO . 11235 1 48 . PHE . 11235 1 49 . GLN . 11235 1 50 . GLY . 11235 1 51 . LYS . 11235 1 52 . PRO . 11235 1 53 . ARG . 11235 1 54 . PRO . 11235 1 55 . GLN . 11235 1 56 . VAL . 11235 1 57 . VAL . 11235 1 58 . TRP . 11235 1 59 . THR . 11235 1 60 . LYS . 11235 1 61 . GLY . 11235 1 62 . GLY . 11235 1 63 . ALA . 11235 1 64 . PRO . 11235 1 65 . LEU . 11235 1 66 . ASP . 11235 1 67 . THR . 11235 1 68 . SER . 11235 1 69 . ARG . 11235 1 70 . VAL . 11235 1 71 . HIS . 11235 1 72 . VAL . 11235 1 73 . ARG . 11235 1 74 . THR . 11235 1 75 . SER . 11235 1 76 . ASP . 11235 1 77 . PHE . 11235 1 78 . ASP . 11235 1 79 . THR . 11235 1 80 . VAL . 11235 1 81 . PHE . 11235 1 82 . PHE . 11235 1 83 . VAL . 11235 1 84 . ARG . 11235 1 85 . GLN . 11235 1 86 . ALA . 11235 1 87 . ALA . 11235 1 88 . ARG . 11235 1 89 . SER . 11235 1 90 . ASP . 11235 1 91 . SER . 11235 1 92 . GLY . 11235 1 93 . GLU . 11235 1 94 . TYR . 11235 1 95 . GLU . 11235 1 96 . LEU . 11235 1 97 . SER . 11235 1 98 . VAL . 11235 1 99 . GLN . 11235 1 100 . ILE . 11235 1 101 . GLU . 11235 1 102 . ASN . 11235 1 103 . MET . 11235 1 104 . LYS . 11235 1 105 . ASP . 11235 1 106 . THR . 11235 1 107 . ALA . 11235 1 108 . THR . 11235 1 109 . ILE . 11235 1 110 . ARG . 11235 1 111 . ILE . 11235 1 112 . ARG . 11235 1 113 . VAL . 11235 1 114 . VAL . 11235 1 115 . GLU . 11235 1 116 . LYS . 11235 1 117 . ALA . 11235 1 118 . GLY . 11235 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 11235 1 . SER 2 2 11235 1 . SER 3 3 11235 1 . GLY 4 4 11235 1 . SER 5 5 11235 1 . SER 6 6 11235 1 . GLY 7 7 11235 1 . THR 8 8 11235 1 . LEU 9 9 11235 1 . ALA 10 10 11235 1 . GLN 11 11 11235 1 . PRO 12 12 11235 1 . VAL 13 13 11235 1 . THR 14 14 11235 1 . ILE 15 15 11235 1 . ARG 16 16 11235 1 . GLU 17 17 11235 1 . ILE 18 18 11235 1 . ALA 19 19 11235 1 . GLU 20 20 11235 1 . PRO 21 21 11235 1 . PRO 22 22 11235 1 . LYS 23 23 11235 1 . ILE 24 24 11235 1 . ARG 25 25 11235 1 . LEU 26 26 11235 1 . PRO 27 27 11235 1 . ARG 28 28 11235 1 . HIS 29 29 11235 1 . LEU 30 30 11235 1 . ARG 31 31 11235 1 . GLN 32 32 11235 1 . THR 33 33 11235 1 . TYR 34 34 11235 1 . ILE 35 35 11235 1 . ARG 36 36 11235 1 . LYS 37 37 11235 1 . VAL 38 38 11235 1 . GLY 39 39 11235 1 . GLU 40 40 11235 1 . GLN 41 41 11235 1 . LEU 42 42 11235 1 . ASN 43 43 11235 1 . LEU 44 44 11235 1 . VAL 45 45 11235 1 . VAL 46 46 11235 1 . PRO 47 47 11235 1 . PHE 48 48 11235 1 . GLN 49 49 11235 1 . GLY 50 50 11235 1 . LYS 51 51 11235 1 . PRO 52 52 11235 1 . ARG 53 53 11235 1 . PRO 54 54 11235 1 . GLN 55 55 11235 1 . VAL 56 56 11235 1 . VAL 57 57 11235 1 . TRP 58 58 11235 1 . THR 59 59 11235 1 . LYS 60 60 11235 1 . GLY 61 61 11235 1 . GLY 62 62 11235 1 . ALA 63 63 11235 1 . PRO 64 64 11235 1 . LEU 65 65 11235 1 . ASP 66 66 11235 1 . THR 67 67 11235 1 . SER 68 68 11235 1 . ARG 69 69 11235 1 . VAL 70 70 11235 1 . HIS 71 71 11235 1 . VAL 72 72 11235 1 . ARG 73 73 11235 1 . THR 74 74 11235 1 . SER 75 75 11235 1 . ASP 76 76 11235 1 . PHE 77 77 11235 1 . ASP 78 78 11235 1 . THR 79 79 11235 1 . VAL 80 80 11235 1 . PHE 81 81 11235 1 . PHE 82 82 11235 1 . VAL 83 83 11235 1 . ARG 84 84 11235 1 . GLN 85 85 11235 1 . ALA 86 86 11235 1 . ALA 87 87 11235 1 . ARG 88 88 11235 1 . SER 89 89 11235 1 . ASP 90 90 11235 1 . SER 91 91 11235 1 . GLY 92 92 11235 1 . GLU 93 93 11235 1 . TYR 94 94 11235 1 . GLU 95 95 11235 1 . LEU 96 96 11235 1 . SER 97 97 11235 1 . VAL 98 98 11235 1 . GLN 99 99 11235 1 . ILE 100 100 11235 1 . GLU 101 101 11235 1 . ASN 102 102 11235 1 . MET 103 103 11235 1 . LYS 104 104 11235 1 . ASP 105 105 11235 1 . THR 106 106 11235 1 . ALA 107 107 11235 1 . THR 108 108 11235 1 . ILE 109 109 11235 1 . ARG 110 110 11235 1 . ILE 111 111 11235 1 . ARG 112 112 11235 1 . VAL 113 113 11235 1 . VAL 114 114 11235 1 . GLU 115 115 11235 1 . LYS 116 116 11235 1 . ALA 117 117 11235 1 . GLY 118 118 11235 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 11235 _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 . . . . . . . . . . . . . . . . . . . . . 11235 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 11235 _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 . . P060828-20 . . . . . . 11235 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11235 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.04mM 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 'Ig-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.04 . . mM . . . . 11235 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11235 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11235 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11235 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11235 1 6 H2O . . . . . . solvent 90 . . % . . . . 11235 1 7 D2O . . . . . . solvent 10 . . % . . . . 11235 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 11235 _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 11235 1 pH 7.0 0.05 pH 11235 1 pressure 1 0.001 atm 11235 1 temperature 293 0.1 K 11235 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11235 _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 . . 11235 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11235 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11235 _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.' . . 11235 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11235 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11235 _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.' . . 11235 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11235 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11235 _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.' . . 11235 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11235 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11235 _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.' . . 11235 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11235 5 'structure solution' 11235 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 11235 _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 11235 _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 . . . 11235 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 11235 _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 . . . . . . . . . . . . . . . . 11235 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11235 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 11235 _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 . . . . . . . . . 11235 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11235 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11235 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 11235 _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 11235 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11235 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 . . 11235 1 2 $NMRPipe . . 11235 1 3 $NMRView . . 11235 1 4 $Kujira . . 11235 1 5 $CYANA . . 11235 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 7 7 GLY HA2 H 1 4.029 0.030 . 1 . . . . 7 GLY HA2 . 11235 1 2 . 1 1 7 7 GLY HA3 H 1 4.029 0.030 . 1 . . . . 7 GLY HA3 . 11235 1 3 . 1 1 7 7 GLY C C 13 174.314 0.300 . 1 . . . . 7 GLY C . 11235 1 4 . 1 1 7 7 GLY CA C 13 45.443 0.300 . 1 . . . . 7 GLY CA . 11235 1 5 . 1 1 8 8 THR H H 1 8.086 0.030 . 1 . . . . 8 THR H . 11235 1 6 . 1 1 8 8 THR HA H 1 4.326 0.030 . 1 . . . . 8 THR HA . 11235 1 7 . 1 1 8 8 THR HB H 1 4.198 0.030 . 1 . . . . 8 THR HB . 11235 1 8 . 1 1 8 8 THR HG21 H 1 1.190 0.030 . 1 . . . . 8 THR HG2 . 11235 1 9 . 1 1 8 8 THR HG22 H 1 1.190 0.030 . 1 . . . . 8 THR HG2 . 11235 1 10 . 1 1 8 8 THR HG23 H 1 1.190 0.030 . 1 . . . . 8 THR HG2 . 11235 1 11 . 1 1 8 8 THR C C 13 176.954 0.300 . 1 . . . . 8 THR C . 11235 1 12 . 1 1 8 8 THR CA C 13 61.968 0.300 . 1 . . . . 8 THR CA . 11235 1 13 . 1 1 8 8 THR CB C 13 69.868 0.300 . 1 . . . . 8 THR CB . 11235 1 14 . 1 1 8 8 THR CG2 C 13 21.607 0.300 . 1 . . . . 8 THR CG2 . 11235 1 15 . 1 1 8 8 THR N N 15 114.215 0.300 . 1 . . . . 8 THR N . 11235 1 16 . 1 1 9 9 LEU H H 1 8.290 0.030 . 1 . . . . 9 LEU H . 11235 1 17 . 1 1 9 9 LEU HA H 1 4.354 0.030 . 1 . . . . 9 LEU HA . 11235 1 18 . 1 1 9 9 LEU HB2 H 1 1.634 0.030 . 2 . . . . 9 LEU HB2 . 11235 1 19 . 1 1 9 9 LEU HB3 H 1 1.583 0.030 . 2 . . . . 9 LEU HB3 . 11235 1 20 . 1 1 9 9 LEU HD11 H 1 0.932 0.030 . 1 . . . . 9 LEU HD1 . 11235 1 21 . 1 1 9 9 LEU HD12 H 1 0.932 0.030 . 1 . . . . 9 LEU HD1 . 11235 1 22 . 1 1 9 9 LEU HD13 H 1 0.932 0.030 . 1 . . . . 9 LEU HD1 . 11235 1 23 . 1 1 9 9 LEU HD21 H 1 0.873 0.030 . 1 . . . . 9 LEU HD2 . 11235 1 24 . 1 1 9 9 LEU HD22 H 1 0.873 0.030 . 1 . . . . 9 LEU HD2 . 11235 1 25 . 1 1 9 9 LEU HD23 H 1 0.873 0.030 . 1 . . . . 9 LEU HD2 . 11235 1 26 . 1 1 9 9 LEU HG H 1 1.632 0.030 . 1 . . . . 9 LEU HG . 11235 1 27 . 1 1 9 9 LEU C C 13 176.944 0.300 . 1 . . . . 9 LEU C . 11235 1 28 . 1 1 9 9 LEU CA C 13 55.022 0.300 . 1 . . . . 9 LEU CA . 11235 1 29 . 1 1 9 9 LEU CB C 13 42.305 0.300 . 1 . . . . 9 LEU CB . 11235 1 30 . 1 1 9 9 LEU CD1 C 13 24.840 0.300 . 2 . . . . 9 LEU CD1 . 11235 1 31 . 1 1 9 9 LEU CD2 C 13 23.481 0.300 . 2 . . . . 9 LEU CD2 . 11235 1 32 . 1 1 9 9 LEU CG C 13 26.910 0.300 . 1 . . . . 9 LEU CG . 11235 1 33 . 1 1 9 9 LEU N N 15 124.994 0.300 . 1 . . . . 9 LEU N . 11235 1 34 . 1 1 10 10 ALA H H 1 8.285 0.030 . 1 . . . . 10 ALA H . 11235 1 35 . 1 1 10 10 ALA HA H 1 4.292 0.030 . 1 . . . . 10 ALA HA . 11235 1 36 . 1 1 10 10 ALA HB1 H 1 1.371 0.030 . 1 . . . . 10 ALA HB . 11235 1 37 . 1 1 10 10 ALA HB2 H 1 1.371 0.030 . 1 . . . . 10 ALA HB . 11235 1 38 . 1 1 10 10 ALA HB3 H 1 1.371 0.030 . 1 . . . . 10 ALA HB . 11235 1 39 . 1 1 10 10 ALA C C 13 177.320 0.300 . 1 . . . . 10 ALA C . 11235 1 40 . 1 1 10 10 ALA CA C 13 52.239 0.300 . 1 . . . . 10 ALA CA . 11235 1 41 . 1 1 10 10 ALA CB C 13 19.115 0.300 . 1 . . . . 10 ALA CB . 11235 1 42 . 1 1 10 10 ALA N N 15 125.280 0.300 . 1 . . . . 10 ALA N . 11235 1 43 . 1 1 11 11 GLN H H 1 8.275 0.030 . 1 . . . . 11 GLN H . 11235 1 44 . 1 1 11 11 GLN HA H 1 4.607 0.030 . 1 . . . . 11 GLN HA . 11235 1 45 . 1 1 11 11 GLN HB2 H 1 1.918 0.030 . 2 . . . . 11 GLN HB2 . 11235 1 46 . 1 1 11 11 GLN HB3 H 1 2.089 0.030 . 2 . . . . 11 GLN HB3 . 11235 1 47 . 1 1 11 11 GLN HE21 H 1 7.571 0.030 . 2 . . . . 11 GLN HE21 . 11235 1 48 . 1 1 11 11 GLN HE22 H 1 6.903 0.030 . 2 . . . . 11 GLN HE22 . 11235 1 49 . 1 1 11 11 GLN HG2 H 1 2.388 0.030 . 1 . . . . 11 GLN HG2 . 11235 1 50 . 1 1 11 11 GLN HG3 H 1 2.388 0.030 . 1 . . . . 11 GLN HG3 . 11235 1 51 . 1 1 11 11 GLN C C 13 173.925 0.300 . 1 . . . . 11 GLN C . 11235 1 52 . 1 1 11 11 GLN CA C 13 53.380 0.300 . 1 . . . . 11 GLN CA . 11235 1 53 . 1 1 11 11 GLN CB C 13 28.989 0.300 . 1 . . . . 11 GLN CB . 11235 1 54 . 1 1 11 11 GLN CG C 13 33.399 0.300 . 1 . . . . 11 GLN CG . 11235 1 55 . 1 1 11 11 GLN N N 15 120.730 0.300 . 1 . . . . 11 GLN N . 11235 1 56 . 1 1 11 11 GLN NE2 N 15 112.770 0.300 . 1 . . . . 11 GLN NE2 . 11235 1 57 . 1 1 12 12 PRO HA H 1 4.462 0.030 . 1 . . . . 12 PRO HA . 11235 1 58 . 1 1 12 12 PRO HB2 H 1 2.290 0.030 . 2 . . . . 12 PRO HB2 . 11235 1 59 . 1 1 12 12 PRO HB3 H 1 1.884 0.030 . 2 . . . . 12 PRO HB3 . 11235 1 60 . 1 1 12 12 PRO HD2 H 1 3.654 0.030 . 2 . . . . 12 PRO HD2 . 11235 1 61 . 1 1 12 12 PRO HD3 H 1 3.780 0.030 . 2 . . . . 12 PRO HD3 . 11235 1 62 . 1 1 12 12 PRO HG2 H 1 2.001 0.030 . 1 . . . . 12 PRO HG2 . 11235 1 63 . 1 1 12 12 PRO HG3 H 1 2.001 0.030 . 1 . . . . 12 PRO HG3 . 11235 1 64 . 1 1 12 12 PRO C C 13 176.793 0.300 . 1 . . . . 12 PRO C . 11235 1 65 . 1 1 12 12 PRO CA C 13 62.970 0.300 . 1 . . . . 12 PRO CA . 11235 1 66 . 1 1 12 12 PRO CB C 13 32.107 0.300 . 1 . . . . 12 PRO CB . 11235 1 67 . 1 1 12 12 PRO CD C 13 50.563 0.300 . 1 . . . . 12 PRO CD . 11235 1 68 . 1 1 12 12 PRO CG C 13 27.304 0.300 . 1 . . . . 12 PRO CG . 11235 1 69 . 1 1 13 13 VAL H H 1 8.330 0.030 . 1 . . . . 13 VAL H . 11235 1 70 . 1 1 13 13 VAL HA H 1 4.140 0.030 . 1 . . . . 13 VAL HA . 11235 1 71 . 1 1 13 13 VAL HB H 1 2.061 0.030 . 1 . . . . 13 VAL HB . 11235 1 72 . 1 1 13 13 VAL HG11 H 1 0.942 0.030 . 1 . . . . 13 VAL HG1 . 11235 1 73 . 1 1 13 13 VAL HG12 H 1 0.942 0.030 . 1 . . . . 13 VAL HG1 . 11235 1 74 . 1 1 13 13 VAL HG13 H 1 0.942 0.030 . 1 . . . . 13 VAL HG1 . 11235 1 75 . 1 1 13 13 VAL HG21 H 1 0.969 0.030 . 1 . . . . 13 VAL HG2 . 11235 1 76 . 1 1 13 13 VAL HG22 H 1 0.969 0.030 . 1 . . . . 13 VAL HG2 . 11235 1 77 . 1 1 13 13 VAL HG23 H 1 0.969 0.030 . 1 . . . . 13 VAL HG2 . 11235 1 78 . 1 1 13 13 VAL C C 13 176.383 0.300 . 1 . . . . 13 VAL C . 11235 1 79 . 1 1 13 13 VAL CA C 13 62.315 0.300 . 1 . . . . 13 VAL CA . 11235 1 80 . 1 1 13 13 VAL CB C 13 32.774 0.300 . 1 . . . . 13 VAL CB . 11235 1 81 . 1 1 13 13 VAL CG1 C 13 21.107 0.300 . 2 . . . . 13 VAL CG1 . 11235 1 82 . 1 1 13 13 VAL CG2 C 13 20.623 0.300 . 2 . . . . 13 VAL CG2 . 11235 1 83 . 1 1 13 13 VAL N N 15 120.810 0.300 . 1 . . . . 13 VAL N . 11235 1 84 . 1 1 14 14 THR H H 1 8.307 0.030 . 1 . . . . 14 THR H . 11235 1 85 . 1 1 14 14 THR HA H 1 4.344 0.030 . 1 . . . . 14 THR HA . 11235 1 86 . 1 1 14 14 THR HB H 1 4.116 0.030 . 1 . . . . 14 THR HB . 11235 1 87 . 1 1 14 14 THR HG21 H 1 1.169 0.030 . 1 . . . . 14 THR HG2 . 11235 1 88 . 1 1 14 14 THR HG22 H 1 1.169 0.030 . 1 . . . . 14 THR HG2 . 11235 1 89 . 1 1 14 14 THR HG23 H 1 1.169 0.030 . 1 . . . . 14 THR HG2 . 11235 1 90 . 1 1 14 14 THR C C 13 174.441 0.300 . 1 . . . . 14 THR C . 11235 1 91 . 1 1 14 14 THR CA C 13 61.735 0.300 . 1 . . . . 14 THR CA . 11235 1 92 . 1 1 14 14 THR CB C 13 69.868 0.300 . 1 . . . . 14 THR CB . 11235 1 93 . 1 1 14 14 THR CG2 C 13 21.583 0.300 . 1 . . . . 14 THR CG2 . 11235 1 94 . 1 1 14 14 THR N N 15 119.388 0.300 . 1 . . . . 14 THR N . 11235 1 95 . 1 1 15 15 ILE H H 1 8.302 0.030 . 1 . . . . 15 ILE H . 11235 1 96 . 1 1 15 15 ILE HA H 1 4.166 0.030 . 1 . . . . 15 ILE HA . 11235 1 97 . 1 1 15 15 ILE HB H 1 1.845 0.030 . 1 . . . . 15 ILE HB . 11235 1 98 . 1 1 15 15 ILE HD11 H 1 0.845 0.030 . 1 . . . . 15 ILE HD1 . 11235 1 99 . 1 1 15 15 ILE HD12 H 1 0.845 0.030 . 1 . . . . 15 ILE HD1 . 11235 1 100 . 1 1 15 15 ILE HD13 H 1 0.845 0.030 . 1 . . . . 15 ILE HD1 . 11235 1 101 . 1 1 15 15 ILE HG12 H 1 1.179 0.030 . 2 . . . . 15 ILE HG12 . 11235 1 102 . 1 1 15 15 ILE HG13 H 1 1.460 0.030 . 2 . . . . 15 ILE HG13 . 11235 1 103 . 1 1 15 15 ILE HG21 H 1 0.880 0.030 . 1 . . . . 15 ILE HG2 . 11235 1 104 . 1 1 15 15 ILE HG22 H 1 0.880 0.030 . 1 . . . . 15 ILE HG2 . 11235 1 105 . 1 1 15 15 ILE HG23 H 1 0.880 0.030 . 1 . . . . 15 ILE HG2 . 11235 1 106 . 1 1 15 15 ILE C C 13 175.855 0.300 . 1 . . . . 15 ILE C . 11235 1 107 . 1 1 15 15 ILE CA C 13 60.872 0.300 . 1 . . . . 15 ILE CA . 11235 1 108 . 1 1 15 15 ILE CB C 13 38.630 0.300 . 1 . . . . 15 ILE CB . 11235 1 109 . 1 1 15 15 ILE CD1 C 13 12.727 0.300 . 1 . . . . 15 ILE CD1 . 11235 1 110 . 1 1 15 15 ILE CG1 C 13 27.214 0.300 . 1 . . . . 15 ILE CG1 . 11235 1 111 . 1 1 15 15 ILE CG2 C 13 17.357 0.300 . 1 . . . . 15 ILE CG2 . 11235 1 112 . 1 1 15 15 ILE N N 15 124.631 0.300 . 1 . . . . 15 ILE N . 11235 1 113 . 1 1 16 16 ARG H H 1 8.433 0.030 . 1 . . . . 16 ARG H . 11235 1 114 . 1 1 16 16 ARG HA H 1 4.341 0.030 . 1 . . . . 16 ARG HA . 11235 1 115 . 1 1 16 16 ARG HB2 H 1 1.793 0.030 . 2 . . . . 16 ARG HB2 . 11235 1 116 . 1 1 16 16 ARG HB3 H 1 1.721 0.030 . 2 . . . . 16 ARG HB3 . 11235 1 117 . 1 1 16 16 ARG HD2 H 1 3.180 0.030 . 1 . . . . 16 ARG HD2 . 11235 1 118 . 1 1 16 16 ARG HD3 H 1 3.180 0.030 . 1 . . . . 16 ARG HD3 . 11235 1 119 . 1 1 16 16 ARG HG2 H 1 1.628 0.030 . 2 . . . . 16 ARG HG2 . 11235 1 120 . 1 1 16 16 ARG HG3 H 1 1.578 0.030 . 2 . . . . 16 ARG HG3 . 11235 1 121 . 1 1 16 16 ARG C C 13 175.669 0.300 . 1 . . . . 16 ARG C . 11235 1 122 . 1 1 16 16 ARG CA C 13 55.774 0.300 . 1 . . . . 16 ARG CA . 11235 1 123 . 1 1 16 16 ARG CB C 13 30.913 0.300 . 1 . . . . 16 ARG CB . 11235 1 124 . 1 1 16 16 ARG CD C 13 43.280 0.300 . 1 . . . . 16 ARG CD . 11235 1 125 . 1 1 16 16 ARG CG C 13 27.035 0.300 . 1 . . . . 16 ARG CG . 11235 1 126 . 1 1 16 16 ARG N N 15 125.874 0.300 . 1 . . . . 16 ARG N . 11235 1 127 . 1 1 17 17 GLU H H 1 8.395 0.030 . 1 . . . . 17 GLU H . 11235 1 128 . 1 1 17 17 GLU HA H 1 4.270 0.030 . 1 . . . . 17 GLU HA . 11235 1 129 . 1 1 17 17 GLU HB2 H 1 1.965 0.030 . 2 . . . . 17 GLU HB2 . 11235 1 130 . 1 1 17 17 GLU HB3 H 1 1.890 0.030 . 2 . . . . 17 GLU HB3 . 11235 1 131 . 1 1 17 17 GLU HG2 H 1 2.223 0.030 . 2 . . . . 17 GLU HG2 . 11235 1 132 . 1 1 17 17 GLU HG3 H 1 2.167 0.030 . 2 . . . . 17 GLU HG3 . 11235 1 133 . 1 1 17 17 GLU C C 13 175.900 0.300 . 1 . . . . 17 GLU C . 11235 1 134 . 1 1 17 17 GLU CA C 13 56.238 0.300 . 1 . . . . 17 GLU CA . 11235 1 135 . 1 1 17 17 GLU CB C 13 30.570 0.300 . 1 . . . . 17 GLU CB . 11235 1 136 . 1 1 17 17 GLU CG C 13 36.277 0.300 . 1 . . . . 17 GLU CG . 11235 1 137 . 1 1 17 17 GLU N N 15 122.724 0.300 . 1 . . . . 17 GLU N . 11235 1 138 . 1 1 18 18 ILE H H 1 8.284 0.030 . 1 . . . . 18 ILE H . 11235 1 139 . 1 1 18 18 ILE HA H 1 4.075 0.030 . 1 . . . . 18 ILE HA . 11235 1 140 . 1 1 18 18 ILE HB H 1 1.810 0.030 . 1 . . . . 18 ILE HB . 11235 1 141 . 1 1 18 18 ILE HD11 H 1 0.875 0.030 . 1 . . . . 18 ILE HD1 . 11235 1 142 . 1 1 18 18 ILE HD12 H 1 0.875 0.030 . 1 . . . . 18 ILE HD1 . 11235 1 143 . 1 1 18 18 ILE HD13 H 1 0.875 0.030 . 1 . . . . 18 ILE HD1 . 11235 1 144 . 1 1 18 18 ILE HG12 H 1 1.505 0.030 . 2 . . . . 18 ILE HG12 . 11235 1 145 . 1 1 18 18 ILE HG13 H 1 1.093 0.030 . 2 . . . . 18 ILE HG13 . 11235 1 146 . 1 1 18 18 ILE HG21 H 1 0.856 0.030 . 1 . . . . 18 ILE HG2 . 11235 1 147 . 1 1 18 18 ILE HG22 H 1 0.856 0.030 . 1 . . . . 18 ILE HG2 . 11235 1 148 . 1 1 18 18 ILE HG23 H 1 0.856 0.030 . 1 . . . . 18 ILE HG2 . 11235 1 149 . 1 1 18 18 ILE C C 13 175.301 0.300 . 1 . . . . 18 ILE C . 11235 1 150 . 1 1 18 18 ILE CA C 13 61.106 0.300 . 1 . . . . 18 ILE CA . 11235 1 151 . 1 1 18 18 ILE CB C 13 38.622 0.300 . 1 . . . . 18 ILE CB . 11235 1 152 . 1 1 18 18 ILE CD1 C 13 13.220 0.300 . 1 . . . . 18 ILE CD1 . 11235 1 153 . 1 1 18 18 ILE CG1 C 13 27.357 0.300 . 1 . . . . 18 ILE CG1 . 11235 1 154 . 1 1 18 18 ILE CG2 C 13 17.482 0.300 . 1 . . . . 18 ILE CG2 . 11235 1 155 . 1 1 18 18 ILE N N 15 123.425 0.300 . 1 . . . . 18 ILE N . 11235 1 156 . 1 1 19 19 ALA H H 1 8.221 0.030 . 1 . . . . 19 ALA H . 11235 1 157 . 1 1 19 19 ALA HA H 1 4.377 0.030 . 1 . . . . 19 ALA HA . 11235 1 158 . 1 1 19 19 ALA HB1 H 1 1.348 0.030 . 1 . . . . 19 ALA HB . 11235 1 159 . 1 1 19 19 ALA HB2 H 1 1.348 0.030 . 1 . . . . 19 ALA HB . 11235 1 160 . 1 1 19 19 ALA HB3 H 1 1.348 0.030 . 1 . . . . 19 ALA HB . 11235 1 161 . 1 1 19 19 ALA C C 13 177.398 0.300 . 1 . . . . 19 ALA C . 11235 1 162 . 1 1 19 19 ALA CA C 13 52.728 0.300 . 1 . . . . 19 ALA CA . 11235 1 163 . 1 1 19 19 ALA CB C 13 19.622 0.300 . 1 . . . . 19 ALA CB . 11235 1 164 . 1 1 19 19 ALA N N 15 129.770 0.300 . 1 . . . . 19 ALA N . 11235 1 165 . 1 1 20 20 GLU H H 1 8.636 0.030 . 1 . . . . 20 GLU H . 11235 1 166 . 1 1 20 20 GLU HA H 1 4.822 0.030 . 1 . . . . 20 GLU HA . 11235 1 167 . 1 1 20 20 GLU HB2 H 1 2.017 0.030 . 2 . . . . 20 GLU HB2 . 11235 1 168 . 1 1 20 20 GLU HB3 H 1 1.892 0.030 . 2 . . . . 20 GLU HB3 . 11235 1 169 . 1 1 20 20 GLU HG2 H 1 2.197 0.030 . 1 . . . . 20 GLU HG2 . 11235 1 170 . 1 1 20 20 GLU HG3 H 1 2.197 0.030 . 1 . . . . 20 GLU HG3 . 11235 1 171 . 1 1 20 20 GLU C C 13 172.749 0.300 . 1 . . . . 20 GLU C . 11235 1 172 . 1 1 20 20 GLU CA C 13 53.328 0.300 . 1 . . . . 20 GLU CA . 11235 1 173 . 1 1 20 20 GLU CB C 13 32.454 0.300 . 1 . . . . 20 GLU CB . 11235 1 174 . 1 1 20 20 GLU CG C 13 36.145 0.300 . 1 . . . . 20 GLU CG . 11235 1 175 . 1 1 20 20 GLU N N 15 121.236 0.300 . 1 . . . . 20 GLU N . 11235 1 176 . 1 1 21 21 PRO HA H 1 4.411 0.030 . 1 . . . . 21 PRO HA . 11235 1 177 . 1 1 21 21 PRO HB2 H 1 2.415 0.030 . 2 . . . . 21 PRO HB2 . 11235 1 178 . 1 1 21 21 PRO HB3 H 1 1.779 0.030 . 2 . . . . 21 PRO HB3 . 11235 1 179 . 1 1 21 21 PRO HD2 H 1 3.765 0.030 . 2 . . . . 21 PRO HD2 . 11235 1 180 . 1 1 21 21 PRO HD3 H 1 3.663 0.030 . 2 . . . . 21 PRO HD3 . 11235 1 181 . 1 1 21 21 PRO HG2 H 1 1.991 0.030 . 1 . . . . 21 PRO HG2 . 11235 1 182 . 1 1 21 21 PRO HG3 H 1 1.991 0.030 . 1 . . . . 21 PRO HG3 . 11235 1 183 . 1 1 21 21 PRO CA C 13 61.264 0.300 . 1 . . . . 21 PRO CA . 11235 1 184 . 1 1 21 21 PRO CB C 13 31.107 0.300 . 1 . . . . 21 PRO CB . 11235 1 185 . 1 1 21 21 PRO CD C 13 50.855 0.300 . 1 . . . . 21 PRO CD . 11235 1 186 . 1 1 21 21 PRO CG C 13 27.298 0.300 . 1 . . . . 21 PRO CG . 11235 1 187 . 1 1 22 22 PRO HA H 1 4.994 0.030 . 1 . . . . 22 PRO HA . 11235 1 188 . 1 1 22 22 PRO HB2 H 1 1.686 0.030 . 1 . . . . 22 PRO HB2 . 11235 1 189 . 1 1 22 22 PRO HB3 H 1 1.686 0.030 . 1 . . . . 22 PRO HB3 . 11235 1 190 . 1 1 22 22 PRO HD2 H 1 3.727 0.030 . 2 . . . . 22 PRO HD2 . 11235 1 191 . 1 1 22 22 PRO HD3 H 1 3.504 0.030 . 2 . . . . 22 PRO HD3 . 11235 1 192 . 1 1 22 22 PRO HG2 H 1 1.847 0.030 . 2 . . . . 22 PRO HG2 . 11235 1 193 . 1 1 22 22 PRO HG3 H 1 2.035 0.030 . 2 . . . . 22 PRO HG3 . 11235 1 194 . 1 1 22 22 PRO C C 13 176.814 0.300 . 1 . . . . 22 PRO C . 11235 1 195 . 1 1 22 22 PRO CA C 13 61.662 0.300 . 1 . . . . 22 PRO CA . 11235 1 196 . 1 1 22 22 PRO CB C 13 32.232 0.300 . 1 . . . . 22 PRO CB . 11235 1 197 . 1 1 22 22 PRO CD C 13 49.763 0.300 . 1 . . . . 22 PRO CD . 11235 1 198 . 1 1 22 22 PRO CG C 13 26.857 0.300 . 1 . . . . 22 PRO CG . 11235 1 199 . 1 1 23 23 LYS H H 1 8.110 0.030 . 1 . . . . 23 LYS H . 11235 1 200 . 1 1 23 23 LYS HA H 1 4.544 0.030 . 1 . . . . 23 LYS HA . 11235 1 201 . 1 1 23 23 LYS HB2 H 1 1.597 0.030 . 1 . . . . 23 LYS HB2 . 11235 1 202 . 1 1 23 23 LYS HB3 H 1 1.597 0.030 . 1 . . . . 23 LYS HB3 . 11235 1 203 . 1 1 23 23 LYS HD2 H 1 1.660 0.030 . 1 . . . . 23 LYS HD2 . 11235 1 204 . 1 1 23 23 LYS HD3 H 1 1.660 0.030 . 1 . . . . 23 LYS HD3 . 11235 1 205 . 1 1 23 23 LYS HE2 H 1 2.943 0.030 . 1 . . . . 23 LYS HE2 . 11235 1 206 . 1 1 23 23 LYS HE3 H 1 2.943 0.030 . 1 . . . . 23 LYS HE3 . 11235 1 207 . 1 1 23 23 LYS HG2 H 1 1.235 0.030 . 1 . . . . 23 LYS HG2 . 11235 1 208 . 1 1 23 23 LYS HG3 H 1 1.235 0.030 . 1 . . . . 23 LYS HG3 . 11235 1 209 . 1 1 23 23 LYS C C 13 175.421 0.300 . 1 . . . . 23 LYS C . 11235 1 210 . 1 1 23 23 LYS CA C 13 55.179 0.300 . 1 . . . . 23 LYS CA . 11235 1 211 . 1 1 23 23 LYS CB C 13 35.668 0.300 . 1 . . . . 23 LYS CB . 11235 1 212 . 1 1 23 23 LYS CD C 13 28.572 0.300 . 1 . . . . 23 LYS CD . 11235 1 213 . 1 1 23 23 LYS CE C 13 42.128 0.300 . 1 . . . . 23 LYS CE . 11235 1 214 . 1 1 23 23 LYS CG C 13 24.394 0.300 . 1 . . . . 23 LYS CG . 11235 1 215 . 1 1 23 23 LYS N N 15 120.488 0.300 . 1 . . . . 23 LYS N . 11235 1 216 . 1 1 24 24 ILE H H 1 9.917 0.030 . 1 . . . . 24 ILE H . 11235 1 217 . 1 1 24 24 ILE HA H 1 3.832 0.030 . 1 . . . . 24 ILE HA . 11235 1 218 . 1 1 24 24 ILE HB H 1 1.632 0.030 . 1 . . . . 24 ILE HB . 11235 1 219 . 1 1 24 24 ILE HD11 H 1 0.523 0.030 . 1 . . . . 24 ILE HD1 . 11235 1 220 . 1 1 24 24 ILE HD12 H 1 0.523 0.030 . 1 . . . . 24 ILE HD1 . 11235 1 221 . 1 1 24 24 ILE HD13 H 1 0.523 0.030 . 1 . . . . 24 ILE HD1 . 11235 1 222 . 1 1 24 24 ILE HG12 H 1 1.470 0.030 . 2 . . . . 24 ILE HG12 . 11235 1 223 . 1 1 24 24 ILE HG13 H 1 0.583 0.030 . 2 . . . . 24 ILE HG13 . 11235 1 224 . 1 1 24 24 ILE HG21 H 1 0.646 0.030 . 1 . . . . 24 ILE HG2 . 11235 1 225 . 1 1 24 24 ILE HG22 H 1 0.646 0.030 . 1 . . . . 24 ILE HG2 . 11235 1 226 . 1 1 24 24 ILE HG23 H 1 0.646 0.030 . 1 . . . . 24 ILE HG2 . 11235 1 227 . 1 1 24 24 ILE C C 13 175.713 0.300 . 1 . . . . 24 ILE C . 11235 1 228 . 1 1 24 24 ILE CA C 13 62.465 0.300 . 1 . . . . 24 ILE CA . 11235 1 229 . 1 1 24 24 ILE CB C 13 39.107 0.300 . 1 . . . . 24 ILE CB . 11235 1 230 . 1 1 24 24 ILE CD1 C 13 14.768 0.300 . 1 . . . . 24 ILE CD1 . 11235 1 231 . 1 1 24 24 ILE CG1 C 13 29.857 0.300 . 1 . . . . 24 ILE CG1 . 11235 1 232 . 1 1 24 24 ILE CG2 C 13 18.107 0.300 . 1 . . . . 24 ILE CG2 . 11235 1 233 . 1 1 24 24 ILE N N 15 129.593 0.300 . 1 . . . . 24 ILE N . 11235 1 234 . 1 1 25 25 ARG H H 1 8.298 0.030 . 1 . . . . 25 ARG H . 11235 1 235 . 1 1 25 25 ARG HA H 1 4.680 0.030 . 1 . . . . 25 ARG HA . 11235 1 236 . 1 1 25 25 ARG HB2 H 1 1.641 0.030 . 1 . . . . 25 ARG HB2 . 11235 1 237 . 1 1 25 25 ARG HB3 H 1 1.641 0.030 . 1 . . . . 25 ARG HB3 . 11235 1 238 . 1 1 25 25 ARG HD2 H 1 3.098 0.030 . 1 . . . . 25 ARG HD2 . 11235 1 239 . 1 1 25 25 ARG HD3 H 1 3.098 0.030 . 1 . . . . 25 ARG HD3 . 11235 1 240 . 1 1 25 25 ARG HG2 H 1 1.528 0.030 . 2 . . . . 25 ARG HG2 . 11235 1 241 . 1 1 25 25 ARG HG3 H 1 1.394 0.030 . 2 . . . . 25 ARG HG3 . 11235 1 242 . 1 1 25 25 ARG C C 13 174.915 0.300 . 1 . . . . 25 ARG C . 11235 1 243 . 1 1 25 25 ARG CA C 13 53.082 0.300 . 1 . . . . 25 ARG CA . 11235 1 244 . 1 1 25 25 ARG CB C 13 29.155 0.300 . 1 . . . . 25 ARG CB . 11235 1 245 . 1 1 25 25 ARG CD C 13 43.357 0.300 . 1 . . . . 25 ARG CD . 11235 1 246 . 1 1 25 25 ARG CG C 13 26.232 0.300 . 1 . . . . 25 ARG CG . 11235 1 247 . 1 1 25 25 ARG N N 15 129.828 0.300 . 1 . . . . 25 ARG N . 11235 1 248 . 1 1 26 26 LEU H H 1 8.328 0.030 . 1 . . . . 26 LEU H . 11235 1 249 . 1 1 26 26 LEU HA H 1 4.166 0.030 . 1 . . . . 26 LEU HA . 11235 1 250 . 1 1 26 26 LEU HB2 H 1 1.433 0.030 . 1 . . . . 26 LEU HB2 . 11235 1 251 . 1 1 26 26 LEU HB3 H 1 1.433 0.030 . 1 . . . . 26 LEU HB3 . 11235 1 252 . 1 1 26 26 LEU HD11 H 1 0.789 0.030 . 1 . . . . 26 LEU HD1 . 11235 1 253 . 1 1 26 26 LEU HD12 H 1 0.789 0.030 . 1 . . . . 26 LEU HD1 . 11235 1 254 . 1 1 26 26 LEU HD13 H 1 0.789 0.030 . 1 . . . . 26 LEU HD1 . 11235 1 255 . 1 1 26 26 LEU HD21 H 1 0.706 0.030 . 1 . . . . 26 LEU HD2 . 11235 1 256 . 1 1 26 26 LEU HD22 H 1 0.706 0.030 . 1 . . . . 26 LEU HD2 . 11235 1 257 . 1 1 26 26 LEU HD23 H 1 0.706 0.030 . 1 . . . . 26 LEU HD2 . 11235 1 258 . 1 1 26 26 LEU HG H 1 1.589 0.030 . 1 . . . . 26 LEU HG . 11235 1 259 . 1 1 26 26 LEU C C 13 175.665 0.300 . 1 . . . . 26 LEU C . 11235 1 260 . 1 1 26 26 LEU CA C 13 53.689 0.300 . 1 . . . . 26 LEU CA . 11235 1 261 . 1 1 26 26 LEU CB C 13 42.601 0.300 . 1 . . . . 26 LEU CB . 11235 1 262 . 1 1 26 26 LEU CD1 C 13 25.329 0.300 . 2 . . . . 26 LEU CD1 . 11235 1 263 . 1 1 26 26 LEU CD2 C 13 24.695 0.300 . 2 . . . . 26 LEU CD2 . 11235 1 264 . 1 1 26 26 LEU CG C 13 26.027 0.300 . 1 . . . . 26 LEU CG . 11235 1 265 . 1 1 26 26 LEU N N 15 124.308 0.300 . 1 . . . . 26 LEU N . 11235 1 266 . 1 1 27 27 PRO HA H 1 4.640 0.030 . 1 . . . . 27 PRO HA . 11235 1 267 . 1 1 27 27 PRO HB2 H 1 2.621 0.030 . 2 . . . . 27 PRO HB2 . 11235 1 268 . 1 1 27 27 PRO HB3 H 1 1.935 0.030 . 2 . . . . 27 PRO HB3 . 11235 1 269 . 1 1 27 27 PRO HD2 H 1 3.550 0.030 . 2 . . . . 27 PRO HD2 . 11235 1 270 . 1 1 27 27 PRO HD3 H 1 4.256 0.030 . 2 . . . . 27 PRO HD3 . 11235 1 271 . 1 1 27 27 PRO HG2 H 1 2.290 0.030 . 2 . . . . 27 PRO HG2 . 11235 1 272 . 1 1 27 27 PRO HG3 H 1 1.906 0.030 . 2 . . . . 27 PRO HG3 . 11235 1 273 . 1 1 27 27 PRO CA C 13 62.350 0.300 . 1 . . . . 27 PRO CA . 11235 1 274 . 1 1 27 27 PRO CB C 13 32.914 0.300 . 1 . . . . 27 PRO CB . 11235 1 275 . 1 1 27 27 PRO CD C 13 51.114 0.300 . 1 . . . . 27 PRO CD . 11235 1 276 . 1 1 27 27 PRO CG C 13 27.651 0.300 . 1 . . . . 27 PRO CG . 11235 1 277 . 1 1 28 28 ARG H H 1 9.009 0.030 . 1 . . . . 28 ARG H . 11235 1 278 . 1 1 28 28 ARG HA H 1 3.800 0.030 . 1 . . . . 28 ARG HA . 11235 1 279 . 1 1 28 28 ARG HB2 H 1 2.006 0.030 . 2 . . . . 28 ARG HB2 . 11235 1 280 . 1 1 28 28 ARG HB3 H 1 2.001 0.030 . 2 . . . . 28 ARG HB3 . 11235 1 281 . 1 1 28 28 ARG HD2 H 1 3.297 0.030 . 1 . . . . 28 ARG HD2 . 11235 1 282 . 1 1 28 28 ARG HD3 H 1 3.297 0.030 . 1 . . . . 28 ARG HD3 . 11235 1 283 . 1 1 28 28 ARG HG2 H 1 1.802 0.030 . 2 . . . . 28 ARG HG2 . 11235 1 284 . 1 1 28 28 ARG HG3 H 1 1.749 0.030 . 2 . . . . 28 ARG HG3 . 11235 1 285 . 1 1 28 28 ARG C C 13 179.128 0.300 . 1 . . . . 28 ARG C . 11235 1 286 . 1 1 28 28 ARG CA C 13 60.264 0.300 . 1 . . . . 28 ARG CA . 11235 1 287 . 1 1 28 28 ARG CB C 13 30.107 0.300 . 1 . . . . 28 ARG CB . 11235 1 288 . 1 1 28 28 ARG CD C 13 43.232 0.300 . 1 . . . . 28 ARG CD . 11235 1 289 . 1 1 28 28 ARG CG C 13 27.232 0.300 . 1 . . . . 28 ARG CG . 11235 1 290 . 1 1 28 28 ARG N N 15 122.192 0.300 . 1 . . . . 28 ARG N . 11235 1 291 . 1 1 29 29 HIS H H 1 8.467 0.030 . 1 . . . . 29 HIS H . 11235 1 292 . 1 1 29 29 HIS HA H 1 4.620 0.030 . 1 . . . . 29 HIS HA . 11235 1 293 . 1 1 29 29 HIS HB2 H 1 3.135 0.030 . 2 . . . . 29 HIS HB2 . 11235 1 294 . 1 1 29 29 HIS HB3 H 1 3.441 0.030 . 2 . . . . 29 HIS HB3 . 11235 1 295 . 1 1 29 29 HIS HD2 H 1 6.737 0.030 . 1 . . . . 29 HIS HD2 . 11235 1 296 . 1 1 29 29 HIS HE1 H 1 7.895 0.030 . 1 . . . . 29 HIS HE1 . 11235 1 297 . 1 1 29 29 HIS C C 13 175.835 0.300 . 1 . . . . 29 HIS C . 11235 1 298 . 1 1 29 29 HIS CA C 13 58.364 0.300 . 1 . . . . 29 HIS CA . 11235 1 299 . 1 1 29 29 HIS CB C 13 29.380 0.300 . 1 . . . . 29 HIS CB . 11235 1 300 . 1 1 29 29 HIS CD2 C 13 117.086 0.300 . 1 . . . . 29 HIS CD2 . 11235 1 301 . 1 1 29 29 HIS CE1 C 13 139.482 0.300 . 1 . . . . 29 HIS CE1 . 11235 1 302 . 1 1 29 29 HIS N N 15 114.248 0.300 . 1 . . . . 29 HIS N . 11235 1 303 . 1 1 30 30 LEU H H 1 7.344 0.030 . 1 . . . . 30 LEU H . 11235 1 304 . 1 1 30 30 LEU HA H 1 4.782 0.030 . 1 . . . . 30 LEU HA . 11235 1 305 . 1 1 30 30 LEU HB2 H 1 1.709 0.030 . 2 . . . . 30 LEU HB2 . 11235 1 306 . 1 1 30 30 LEU HB3 H 1 1.373 0.030 . 2 . . . . 30 LEU HB3 . 11235 1 307 . 1 1 30 30 LEU HD11 H 1 0.703 0.030 . 1 . . . . 30 LEU HD1 . 11235 1 308 . 1 1 30 30 LEU HD12 H 1 0.703 0.030 . 1 . . . . 30 LEU HD1 . 11235 1 309 . 1 1 30 30 LEU HD13 H 1 0.703 0.030 . 1 . . . . 30 LEU HD1 . 11235 1 310 . 1 1 30 30 LEU HD21 H 1 0.557 0.030 . 1 . . . . 30 LEU HD2 . 11235 1 311 . 1 1 30 30 LEU HD22 H 1 0.557 0.030 . 1 . . . . 30 LEU HD2 . 11235 1 312 . 1 1 30 30 LEU HD23 H 1 0.557 0.030 . 1 . . . . 30 LEU HD2 . 11235 1 313 . 1 1 30 30 LEU HG H 1 0.572 0.030 . 1 . . . . 30 LEU HG . 11235 1 314 . 1 1 30 30 LEU C C 13 176.732 0.300 . 1 . . . . 30 LEU C . 11235 1 315 . 1 1 30 30 LEU CA C 13 53.664 0.300 . 1 . . . . 30 LEU CA . 11235 1 316 . 1 1 30 30 LEU CB C 13 40.954 0.300 . 1 . . . . 30 LEU CB . 11235 1 317 . 1 1 30 30 LEU CD1 C 13 25.626 0.300 . 2 . . . . 30 LEU CD1 . 11235 1 318 . 1 1 30 30 LEU CD2 C 13 22.780 0.300 . 2 . . . . 30 LEU CD2 . 11235 1 319 . 1 1 30 30 LEU CG C 13 26.334 0.300 . 1 . . . . 30 LEU CG . 11235 1 320 . 1 1 30 30 LEU N N 15 116.944 0.300 . 1 . . . . 30 LEU N . 11235 1 321 . 1 1 31 31 ARG H H 1 7.466 0.030 . 1 . . . . 31 ARG H . 11235 1 322 . 1 1 31 31 ARG HA H 1 4.261 0.030 . 1 . . . . 31 ARG HA . 11235 1 323 . 1 1 31 31 ARG HB2 H 1 2.139 0.030 . 2 . . . . 31 ARG HB2 . 11235 1 324 . 1 1 31 31 ARG HB3 H 1 1.872 0.030 . 2 . . . . 31 ARG HB3 . 11235 1 325 . 1 1 31 31 ARG HD2 H 1 3.167 0.030 . 2 . . . . 31 ARG HD2 . 11235 1 326 . 1 1 31 31 ARG HD3 H 1 3.289 0.030 . 2 . . . . 31 ARG HD3 . 11235 1 327 . 1 1 31 31 ARG HG2 H 1 1.596 0.030 . 2 . . . . 31 ARG HG2 . 11235 1 328 . 1 1 31 31 ARG HG3 H 1 1.803 0.030 . 2 . . . . 31 ARG HG3 . 11235 1 329 . 1 1 31 31 ARG C C 13 175.227 0.300 . 1 . . . . 31 ARG C . 11235 1 330 . 1 1 31 31 ARG CA C 13 57.289 0.300 . 1 . . . . 31 ARG CA . 11235 1 331 . 1 1 31 31 ARG CB C 13 29.937 0.300 . 1 . . . . 31 ARG CB . 11235 1 332 . 1 1 31 31 ARG CD C 13 43.732 0.300 . 1 . . . . 31 ARG CD . 11235 1 333 . 1 1 31 31 ARG CG C 13 27.982 0.300 . 1 . . . . 31 ARG CG . 11235 1 334 . 1 1 31 31 ARG N N 15 118.810 0.300 . 1 . . . . 31 ARG N . 11235 1 335 . 1 1 32 32 GLN H H 1 7.327 0.030 . 1 . . . . 32 GLN H . 11235 1 336 . 1 1 32 32 GLN HA H 1 4.703 0.030 . 1 . . . . 32 GLN HA . 11235 1 337 . 1 1 32 32 GLN HB2 H 1 2.334 0.030 . 2 . . . . 32 GLN HB2 . 11235 1 338 . 1 1 32 32 GLN HB3 H 1 2.097 0.030 . 2 . . . . 32 GLN HB3 . 11235 1 339 . 1 1 32 32 GLN HE21 H 1 6.943 0.030 . 2 . . . . 32 GLN HE21 . 11235 1 340 . 1 1 32 32 GLN HE22 H 1 7.663 0.030 . 2 . . . . 32 GLN HE22 . 11235 1 341 . 1 1 32 32 GLN HG2 H 1 2.358 0.030 . 1 . . . . 32 GLN HG2 . 11235 1 342 . 1 1 32 32 GLN HG3 H 1 2.358 0.030 . 1 . . . . 32 GLN HG3 . 11235 1 343 . 1 1 32 32 GLN C C 13 175.007 0.300 . 1 . . . . 32 GLN C . 11235 1 344 . 1 1 32 32 GLN CA C 13 53.513 0.300 . 1 . . . . 32 GLN CA . 11235 1 345 . 1 1 32 32 GLN CB C 13 31.107 0.300 . 1 . . . . 32 GLN CB . 11235 1 346 . 1 1 32 32 GLN CG C 13 33.272 0.300 . 1 . . . . 32 GLN CG . 11235 1 347 . 1 1 32 32 GLN N N 15 114.988 0.300 . 1 . . . . 32 GLN N . 11235 1 348 . 1 1 32 32 GLN NE2 N 15 112.242 0.300 . 1 . . . . 32 GLN NE2 . 11235 1 349 . 1 1 33 33 THR H H 1 8.437 0.030 . 1 . . . . 33 THR H . 11235 1 350 . 1 1 33 33 THR HA H 1 4.081 0.030 . 1 . . . . 33 THR HA . 11235 1 351 . 1 1 33 33 THR HB H 1 3.949 0.030 . 1 . . . . 33 THR HB . 11235 1 352 . 1 1 33 33 THR HG21 H 1 1.010 0.030 . 1 . . . . 33 THR HG2 . 11235 1 353 . 1 1 33 33 THR HG22 H 1 1.010 0.030 . 1 . . . . 33 THR HG2 . 11235 1 354 . 1 1 33 33 THR HG23 H 1 1.010 0.030 . 1 . . . . 33 THR HG2 . 11235 1 355 . 1 1 33 33 THR C C 13 173.307 0.300 . 1 . . . . 33 THR C . 11235 1 356 . 1 1 33 33 THR CA C 13 64.962 0.300 . 1 . . . . 33 THR CA . 11235 1 357 . 1 1 33 33 THR CB C 13 68.773 0.300 . 1 . . . . 33 THR CB . 11235 1 358 . 1 1 33 33 THR CG2 C 13 22.712 0.300 . 1 . . . . 33 THR CG2 . 11235 1 359 . 1 1 33 33 THR N N 15 117.385 0.300 . 1 . . . . 33 THR N . 11235 1 360 . 1 1 34 34 TYR H H 1 9.255 0.030 . 1 . . . . 34 TYR H . 11235 1 361 . 1 1 34 34 TYR HA H 1 4.848 0.030 . 1 . . . . 34 TYR HA . 11235 1 362 . 1 1 34 34 TYR HB2 H 1 3.116 0.030 . 2 . . . . 34 TYR HB2 . 11235 1 363 . 1 1 34 34 TYR HB3 H 1 2.953 0.030 . 2 . . . . 34 TYR HB3 . 11235 1 364 . 1 1 34 34 TYR HD1 H 1 7.086 0.030 . 1 . . . . 34 TYR HD1 . 11235 1 365 . 1 1 34 34 TYR HD2 H 1 7.086 0.030 . 1 . . . . 34 TYR HD2 . 11235 1 366 . 1 1 34 34 TYR HE1 H 1 6.776 0.030 . 1 . . . . 34 TYR HE1 . 11235 1 367 . 1 1 34 34 TYR HE2 H 1 6.776 0.030 . 1 . . . . 34 TYR HE2 . 11235 1 368 . 1 1 34 34 TYR C C 13 173.230 0.300 . 1 . . . . 34 TYR C . 11235 1 369 . 1 1 34 34 TYR CA C 13 57.422 0.300 . 1 . . . . 34 TYR CA . 11235 1 370 . 1 1 34 34 TYR CB C 13 39.079 0.300 . 1 . . . . 34 TYR CB . 11235 1 371 . 1 1 34 34 TYR CD1 C 13 132.494 0.300 . 1 . . . . 34 TYR CD1 . 11235 1 372 . 1 1 34 34 TYR CD2 C 13 132.494 0.300 . 1 . . . . 34 TYR CD2 . 11235 1 373 . 1 1 34 34 TYR CE1 C 13 117.734 0.300 . 1 . . . . 34 TYR CE1 . 11235 1 374 . 1 1 34 34 TYR CE2 C 13 117.734 0.300 . 1 . . . . 34 TYR CE2 . 11235 1 375 . 1 1 34 34 TYR N N 15 133.125 0.300 . 1 . . . . 34 TYR N . 11235 1 376 . 1 1 35 35 ILE H H 1 8.220 0.030 . 1 . . . . 35 ILE H . 11235 1 377 . 1 1 35 35 ILE HA H 1 5.248 0.030 . 1 . . . . 35 ILE HA . 11235 1 378 . 1 1 35 35 ILE HB H 1 1.560 0.030 . 1 . . . . 35 ILE HB . 11235 1 379 . 1 1 35 35 ILE HD11 H 1 0.853 0.030 . 1 . . . . 35 ILE HD1 . 11235 1 380 . 1 1 35 35 ILE HD12 H 1 0.853 0.030 . 1 . . . . 35 ILE HD1 . 11235 1 381 . 1 1 35 35 ILE HD13 H 1 0.853 0.030 . 1 . . . . 35 ILE HD1 . 11235 1 382 . 1 1 35 35 ILE HG12 H 1 1.526 0.030 . 2 . . . . 35 ILE HG12 . 11235 1 383 . 1 1 35 35 ILE HG13 H 1 0.857 0.030 . 2 . . . . 35 ILE HG13 . 11235 1 384 . 1 1 35 35 ILE HG21 H 1 0.774 0.030 . 1 . . . . 35 ILE HG2 . 11235 1 385 . 1 1 35 35 ILE HG22 H 1 0.774 0.030 . 1 . . . . 35 ILE HG2 . 11235 1 386 . 1 1 35 35 ILE HG23 H 1 0.774 0.030 . 1 . . . . 35 ILE HG2 . 11235 1 387 . 1 1 35 35 ILE C C 13 176.962 0.300 . 1 . . . . 35 ILE C . 11235 1 388 . 1 1 35 35 ILE CA C 13 59.938 0.300 . 1 . . . . 35 ILE CA . 11235 1 389 . 1 1 35 35 ILE CB C 13 39.394 0.300 . 1 . . . . 35 ILE CB . 11235 1 390 . 1 1 35 35 ILE CD1 C 13 13.524 0.300 . 1 . . . . 35 ILE CD1 . 11235 1 391 . 1 1 35 35 ILE CG1 C 13 28.239 0.300 . 1 . . . . 35 ILE CG1 . 11235 1 392 . 1 1 35 35 ILE CG2 C 13 17.467 0.300 . 1 . . . . 35 ILE CG2 . 11235 1 393 . 1 1 35 35 ILE N N 15 129.074 0.300 . 1 . . . . 35 ILE N . 11235 1 394 . 1 1 36 36 ARG H H 1 8.470 0.030 . 1 . . . . 36 ARG H . 11235 1 395 . 1 1 36 36 ARG HA H 1 4.585 0.030 . 1 . . . . 36 ARG HA . 11235 1 396 . 1 1 36 36 ARG HB2 H 1 1.146 0.030 . 2 . . . . 36 ARG HB2 . 11235 1 397 . 1 1 36 36 ARG HB3 H 1 1.894 0.030 . 2 . . . . 36 ARG HB3 . 11235 1 398 . 1 1 36 36 ARG HD2 H 1 3.238 0.030 . 1 . . . . 36 ARG HD2 . 11235 1 399 . 1 1 36 36 ARG HD3 H 1 3.238 0.030 . 1 . . . . 36 ARG HD3 . 11235 1 400 . 1 1 36 36 ARG HE H 1 7.037 0.030 . 1 . . . . 36 ARG HE . 11235 1 401 . 1 1 36 36 ARG HG2 H 1 0.954 0.030 . 2 . . . . 36 ARG HG2 . 11235 1 402 . 1 1 36 36 ARG HG3 H 1 1.503 0.030 . 2 . . . . 36 ARG HG3 . 11235 1 403 . 1 1 36 36 ARG C C 13 173.745 0.300 . 1 . . . . 36 ARG C . 11235 1 404 . 1 1 36 36 ARG CA C 13 52.130 0.300 . 1 . . . . 36 ARG CA . 11235 1 405 . 1 1 36 36 ARG CB C 13 35.555 0.300 . 1 . . . . 36 ARG CB . 11235 1 406 . 1 1 36 36 ARG CD C 13 42.752 0.300 . 1 . . . . 36 ARG CD . 11235 1 407 . 1 1 36 36 ARG CG C 13 26.357 0.300 . 1 . . . . 36 ARG CG . 11235 1 408 . 1 1 36 36 ARG N N 15 126.972 0.300 . 1 . . . . 36 ARG N . 11235 1 409 . 1 1 36 36 ARG NE N 15 85.169 0.300 . 1 . . . . 36 ARG NE . 11235 1 410 . 1 1 37 37 LYS H H 1 8.962 0.030 . 1 . . . . 37 LYS H . 11235 1 411 . 1 1 37 37 LYS HA H 1 4.944 0.030 . 1 . . . . 37 LYS HA . 11235 1 412 . 1 1 37 37 LYS HB2 H 1 1.691 0.030 . 2 . . . . 37 LYS HB2 . 11235 1 413 . 1 1 37 37 LYS HB3 H 1 1.473 0.030 . 2 . . . . 37 LYS HB3 . 11235 1 414 . 1 1 37 37 LYS HD2 H 1 1.622 0.030 . 2 . . . . 37 LYS HD2 . 11235 1 415 . 1 1 37 37 LYS HD3 H 1 1.557 0.030 . 2 . . . . 37 LYS HD3 . 11235 1 416 . 1 1 37 37 LYS HE2 H 1 2.931 0.030 . 1 . . . . 37 LYS HE2 . 11235 1 417 . 1 1 37 37 LYS HE3 H 1 2.931 0.030 . 1 . . . . 37 LYS HE3 . 11235 1 418 . 1 1 37 37 LYS HG2 H 1 1.366 0.030 . 2 . . . . 37 LYS HG2 . 11235 1 419 . 1 1 37 37 LYS HG3 H 1 1.305 0.030 . 2 . . . . 37 LYS HG3 . 11235 1 420 . 1 1 37 37 LYS C C 13 176.806 0.300 . 1 . . . . 37 LYS C . 11235 1 421 . 1 1 37 37 LYS CA C 13 54.514 0.300 . 1 . . . . 37 LYS CA . 11235 1 422 . 1 1 37 37 LYS CB C 13 34.188 0.300 . 1 . . . . 37 LYS CB . 11235 1 423 . 1 1 37 37 LYS CD C 13 29.395 0.300 . 1 . . . . 37 LYS CD . 11235 1 424 . 1 1 37 37 LYS CE C 13 41.982 0.300 . 1 . . . . 37 LYS CE . 11235 1 425 . 1 1 37 37 LYS CG C 13 25.247 0.300 . 1 . . . . 37 LYS CG . 11235 1 426 . 1 1 37 37 LYS N N 15 119.964 0.300 . 1 . . . . 37 LYS N . 11235 1 427 . 1 1 38 38 VAL H H 1 7.860 0.030 . 1 . . . . 38 VAL H . 11235 1 428 . 1 1 38 38 VAL HA H 1 3.151 0.030 . 1 . . . . 38 VAL HA . 11235 1 429 . 1 1 38 38 VAL HB H 1 1.865 0.030 . 1 . . . . 38 VAL HB . 11235 1 430 . 1 1 38 38 VAL HG11 H 1 0.907 0.030 . 1 . . . . 38 VAL HG1 . 11235 1 431 . 1 1 38 38 VAL HG12 H 1 0.907 0.030 . 1 . . . . 38 VAL HG1 . 11235 1 432 . 1 1 38 38 VAL HG13 H 1 0.907 0.030 . 1 . . . . 38 VAL HG1 . 11235 1 433 . 1 1 38 38 VAL HG21 H 1 0.996 0.030 . 1 . . . . 38 VAL HG2 . 11235 1 434 . 1 1 38 38 VAL HG22 H 1 0.996 0.030 . 1 . . . . 38 VAL HG2 . 11235 1 435 . 1 1 38 38 VAL HG23 H 1 0.996 0.030 . 1 . . . . 38 VAL HG2 . 11235 1 436 . 1 1 38 38 VAL C C 13 176.977 0.300 . 1 . . . . 38 VAL C . 11235 1 437 . 1 1 38 38 VAL CA C 13 64.408 0.300 . 1 . . . . 38 VAL CA . 11235 1 438 . 1 1 38 38 VAL CB C 13 32.315 0.300 . 1 . . . . 38 VAL CB . 11235 1 439 . 1 1 38 38 VAL CG1 C 13 23.030 0.300 . 2 . . . . 38 VAL CG1 . 11235 1 440 . 1 1 38 38 VAL CG2 C 13 21.295 0.300 . 2 . . . . 38 VAL CG2 . 11235 1 441 . 1 1 38 38 VAL N N 15 119.423 0.300 . 1 . . . . 38 VAL N . 11235 1 442 . 1 1 39 39 GLY H H 1 9.245 0.030 . 1 . . . . 39 GLY H . 11235 1 443 . 1 1 39 39 GLY HA2 H 1 4.467 0.030 . 2 . . . . 39 GLY HA2 . 11235 1 444 . 1 1 39 39 GLY HA3 H 1 3.405 0.030 . 2 . . . . 39 GLY HA3 . 11235 1 445 . 1 1 39 39 GLY C C 13 174.479 0.300 . 1 . . . . 39 GLY C . 11235 1 446 . 1 1 39 39 GLY CA C 13 44.924 0.300 . 1 . . . . 39 GLY CA . 11235 1 447 . 1 1 39 39 GLY N N 15 114.620 0.300 . 1 . . . . 39 GLY N . 11235 1 448 . 1 1 40 40 GLU H H 1 8.081 0.030 . 1 . . . . 40 GLU H . 11235 1 449 . 1 1 40 40 GLU HA H 1 4.456 0.030 . 1 . . . . 40 GLU HA . 11235 1 450 . 1 1 40 40 GLU HB2 H 1 2.343 0.030 . 2 . . . . 40 GLU HB2 . 11235 1 451 . 1 1 40 40 GLU HB3 H 1 2.083 0.030 . 2 . . . . 40 GLU HB3 . 11235 1 452 . 1 1 40 40 GLU HG2 H 1 2.343 0.030 . 2 . . . . 40 GLU HG2 . 11235 1 453 . 1 1 40 40 GLU HG3 H 1 2.222 0.030 . 2 . . . . 40 GLU HG3 . 11235 1 454 . 1 1 40 40 GLU C C 13 175.668 0.300 . 1 . . . . 40 GLU C . 11235 1 455 . 1 1 40 40 GLU CA C 13 56.196 0.300 . 1 . . . . 40 GLU CA . 11235 1 456 . 1 1 40 40 GLU CB C 13 31.190 0.300 . 1 . . . . 40 GLU CB . 11235 1 457 . 1 1 40 40 GLU CG C 13 38.337 0.300 . 1 . . . . 40 GLU CG . 11235 1 458 . 1 1 40 40 GLU N N 15 120.106 0.300 . 1 . . . . 40 GLU N . 11235 1 459 . 1 1 41 41 GLN H H 1 8.518 0.030 . 1 . . . . 41 GLN H . 11235 1 460 . 1 1 41 41 GLN HA H 1 4.421 0.030 . 1 . . . . 41 GLN HA . 11235 1 461 . 1 1 41 41 GLN HB2 H 1 1.987 0.030 . 1 . . . . 41 GLN HB2 . 11235 1 462 . 1 1 41 41 GLN HB3 H 1 1.987 0.030 . 1 . . . . 41 GLN HB3 . 11235 1 463 . 1 1 41 41 GLN HE21 H 1 7.039 0.030 . 2 . . . . 41 GLN HE21 . 11235 1 464 . 1 1 41 41 GLN HE22 H 1 7.726 0.030 . 2 . . . . 41 GLN HE22 . 11235 1 465 . 1 1 41 41 GLN HG2 H 1 2.527 0.030 . 2 . . . . 41 GLN HG2 . 11235 1 466 . 1 1 41 41 GLN HG3 H 1 2.583 0.030 . 2 . . . . 41 GLN HG3 . 11235 1 467 . 1 1 41 41 GLN C C 13 177.397 0.300 . 1 . . . . 41 GLN C . 11235 1 468 . 1 1 41 41 GLN CA C 13 55.900 0.300 . 1 . . . . 41 GLN CA . 11235 1 469 . 1 1 41 41 GLN CB C 13 29.857 0.300 . 1 . . . . 41 GLN CB . 11235 1 470 . 1 1 41 41 GLN CG C 13 34.337 0.300 . 1 . . . . 41 GLN CG . 11235 1 471 . 1 1 41 41 GLN N N 15 118.162 0.300 . 1 . . . . 41 GLN N . 11235 1 472 . 1 1 41 41 GLN NE2 N 15 110.887 0.300 . 1 . . . . 41 GLN NE2 . 11235 1 473 . 1 1 42 42 LEU H H 1 8.737 0.030 . 1 . . . . 42 LEU H . 11235 1 474 . 1 1 42 42 LEU HA H 1 4.863 0.030 . 1 . . . . 42 LEU HA . 11235 1 475 . 1 1 42 42 LEU HB2 H 1 1.836 0.030 . 2 . . . . 42 LEU HB2 . 11235 1 476 . 1 1 42 42 LEU HB3 H 1 1.269 0.030 . 2 . . . . 42 LEU HB3 . 11235 1 477 . 1 1 42 42 LEU HD11 H 1 0.836 0.030 . 1 . . . . 42 LEU HD1 . 11235 1 478 . 1 1 42 42 LEU HD12 H 1 0.836 0.030 . 1 . . . . 42 LEU HD1 . 11235 1 479 . 1 1 42 42 LEU HD13 H 1 0.836 0.030 . 1 . . . . 42 LEU HD1 . 11235 1 480 . 1 1 42 42 LEU HD21 H 1 0.799 0.030 . 1 . . . . 42 LEU HD2 . 11235 1 481 . 1 1 42 42 LEU HD22 H 1 0.799 0.030 . 1 . . . . 42 LEU HD2 . 11235 1 482 . 1 1 42 42 LEU HD23 H 1 0.799 0.030 . 1 . . . . 42 LEU HD2 . 11235 1 483 . 1 1 42 42 LEU HG H 1 1.600 0.030 . 1 . . . . 42 LEU HG . 11235 1 484 . 1 1 42 42 LEU C C 13 174.172 0.300 . 1 . . . . 42 LEU C . 11235 1 485 . 1 1 42 42 LEU CA C 13 53.565 0.300 . 1 . . . . 42 LEU CA . 11235 1 486 . 1 1 42 42 LEU CB C 13 42.376 0.300 . 1 . . . . 42 LEU CB . 11235 1 487 . 1 1 42 42 LEU CD1 C 13 24.668 0.300 . 2 . . . . 42 LEU CD1 . 11235 1 488 . 1 1 42 42 LEU CD2 C 13 24.107 0.300 . 2 . . . . 42 LEU CD2 . 11235 1 489 . 1 1 42 42 LEU CG C 13 26.857 0.300 . 1 . . . . 42 LEU CG . 11235 1 490 . 1 1 42 42 LEU N N 15 121.089 0.300 . 1 . . . . 42 LEU N . 11235 1 491 . 1 1 43 43 ASN H H 1 8.405 0.030 . 1 . . . . 43 ASN H . 11235 1 492 . 1 1 43 43 ASN HA H 1 5.690 0.030 . 1 . . . . 43 ASN HA . 11235 1 493 . 1 1 43 43 ASN HB2 H 1 2.969 0.030 . 2 . . . . 43 ASN HB2 . 11235 1 494 . 1 1 43 43 ASN HB3 H 1 2.555 0.030 . 2 . . . . 43 ASN HB3 . 11235 1 495 . 1 1 43 43 ASN HD21 H 1 7.269 0.030 . 2 . . . . 43 ASN HD21 . 11235 1 496 . 1 1 43 43 ASN HD22 H 1 6.457 0.030 . 2 . . . . 43 ASN HD22 . 11235 1 497 . 1 1 43 43 ASN C C 13 173.285 0.300 . 1 . . . . 43 ASN C . 11235 1 498 . 1 1 43 43 ASN CA C 13 52.547 0.300 . 1 . . . . 43 ASN CA . 11235 1 499 . 1 1 43 43 ASN CB C 13 40.857 0.300 . 1 . . . . 43 ASN CB . 11235 1 500 . 1 1 43 43 ASN N N 15 121.527 0.300 . 1 . . . . 43 ASN N . 11235 1 501 . 1 1 43 43 ASN ND2 N 15 109.116 0.300 . 1 . . . . 43 ASN ND2 . 11235 1 502 . 1 1 44 44 LEU H H 1 9.366 0.030 . 1 . . . . 44 LEU H . 11235 1 503 . 1 1 44 44 LEU HA H 1 4.624 0.030 . 1 . . . . 44 LEU HA . 11235 1 504 . 1 1 44 44 LEU HB2 H 1 1.870 0.030 . 2 . . . . 44 LEU HB2 . 11235 1 505 . 1 1 44 44 LEU HB3 H 1 1.131 0.030 . 2 . . . . 44 LEU HB3 . 11235 1 506 . 1 1 44 44 LEU HD11 H 1 0.122 0.030 . 1 . . . . 44 LEU HD1 . 11235 1 507 . 1 1 44 44 LEU HD12 H 1 0.122 0.030 . 1 . . . . 44 LEU HD1 . 11235 1 508 . 1 1 44 44 LEU HD13 H 1 0.122 0.030 . 1 . . . . 44 LEU HD1 . 11235 1 509 . 1 1 44 44 LEU HD21 H 1 0.229 0.030 . 1 . . . . 44 LEU HD2 . 11235 1 510 . 1 1 44 44 LEU HD22 H 1 0.229 0.030 . 1 . . . . 44 LEU HD2 . 11235 1 511 . 1 1 44 44 LEU HD23 H 1 0.229 0.030 . 1 . . . . 44 LEU HD2 . 11235 1 512 . 1 1 44 44 LEU HG H 1 1.230 0.030 . 1 . . . . 44 LEU HG . 11235 1 513 . 1 1 44 44 LEU C C 13 174.039 0.300 . 1 . . . . 44 LEU C . 11235 1 514 . 1 1 44 44 LEU CA C 13 53.859 0.300 . 1 . . . . 44 LEU CA . 11235 1 515 . 1 1 44 44 LEU CB C 13 43.405 0.300 . 1 . . . . 44 LEU CB . 11235 1 516 . 1 1 44 44 LEU CD1 C 13 24.989 0.300 . 2 . . . . 44 LEU CD1 . 11235 1 517 . 1 1 44 44 LEU CD2 C 13 24.158 0.300 . 2 . . . . 44 LEU CD2 . 11235 1 518 . 1 1 44 44 LEU CG C 13 27.217 0.300 . 1 . . . . 44 LEU CG . 11235 1 519 . 1 1 44 44 LEU N N 15 125.901 0.300 . 1 . . . . 44 LEU N . 11235 1 520 . 1 1 45 45 VAL H H 1 8.321 0.030 . 1 . . . . 45 VAL H . 11235 1 521 . 1 1 45 45 VAL HA H 1 4.654 0.030 . 1 . . . . 45 VAL HA . 11235 1 522 . 1 1 45 45 VAL HB H 1 2.090 0.030 . 1 . . . . 45 VAL HB . 11235 1 523 . 1 1 45 45 VAL HG11 H 1 0.841 0.030 . 1 . . . . 45 VAL HG1 . 11235 1 524 . 1 1 45 45 VAL HG12 H 1 0.841 0.030 . 1 . . . . 45 VAL HG1 . 11235 1 525 . 1 1 45 45 VAL HG13 H 1 0.841 0.030 . 1 . . . . 45 VAL HG1 . 11235 1 526 . 1 1 45 45 VAL HG21 H 1 0.970 0.030 . 1 . . . . 45 VAL HG2 . 11235 1 527 . 1 1 45 45 VAL HG22 H 1 0.970 0.030 . 1 . . . . 45 VAL HG2 . 11235 1 528 . 1 1 45 45 VAL HG23 H 1 0.970 0.030 . 1 . . . . 45 VAL HG2 . 11235 1 529 . 1 1 45 45 VAL C C 13 175.722 0.300 . 1 . . . . 45 VAL C . 11235 1 530 . 1 1 45 45 VAL CA C 13 61.755 0.300 . 1 . . . . 45 VAL CA . 11235 1 531 . 1 1 45 45 VAL CB C 13 32.622 0.300 . 1 . . . . 45 VAL CB . 11235 1 532 . 1 1 45 45 VAL CG1 C 13 20.872 0.300 . 2 . . . . 45 VAL CG1 . 11235 1 533 . 1 1 45 45 VAL CG2 C 13 20.527 0.300 . 2 . . . . 45 VAL CG2 . 11235 1 534 . 1 1 45 45 VAL N N 15 123.666 0.300 . 1 . . . . 45 VAL N . 11235 1 535 . 1 1 46 46 VAL H H 1 9.308 0.030 . 1 . . . . 46 VAL H . 11235 1 536 . 1 1 46 46 VAL HA H 1 4.640 0.030 . 1 . . . . 46 VAL HA . 11235 1 537 . 1 1 46 46 VAL HB H 1 2.205 0.030 . 1 . . . . 46 VAL HB . 11235 1 538 . 1 1 46 46 VAL HG11 H 1 0.777 0.030 . 1 . . . . 46 VAL HG1 . 11235 1 539 . 1 1 46 46 VAL HG12 H 1 0.777 0.030 . 1 . . . . 46 VAL HG1 . 11235 1 540 . 1 1 46 46 VAL HG13 H 1 0.777 0.030 . 1 . . . . 46 VAL HG1 . 11235 1 541 . 1 1 46 46 VAL HG21 H 1 0.778 0.030 . 1 . . . . 46 VAL HG2 . 11235 1 542 . 1 1 46 46 VAL HG22 H 1 0.778 0.030 . 1 . . . . 46 VAL HG2 . 11235 1 543 . 1 1 46 46 VAL HG23 H 1 0.778 0.030 . 1 . . . . 46 VAL HG2 . 11235 1 544 . 1 1 46 46 VAL C C 13 173.378 0.300 . 1 . . . . 46 VAL C . 11235 1 545 . 1 1 46 46 VAL CA C 13 59.524 0.300 . 1 . . . . 46 VAL CA . 11235 1 546 . 1 1 46 46 VAL CB C 13 33.811 0.300 . 1 . . . . 46 VAL CB . 11235 1 547 . 1 1 46 46 VAL CG1 C 13 23.157 0.300 . 2 . . . . 46 VAL CG1 . 11235 1 548 . 1 1 46 46 VAL CG2 C 13 20.356 0.300 . 2 . . . . 46 VAL CG2 . 11235 1 549 . 1 1 46 46 VAL N N 15 127.606 0.300 . 1 . . . . 46 VAL N . 11235 1 550 . 1 1 47 47 PRO HA H 1 4.928 0.030 . 1 . . . . 47 PRO HA . 11235 1 551 . 1 1 47 47 PRO HB2 H 1 2.517 0.030 . 2 . . . . 47 PRO HB2 . 11235 1 552 . 1 1 47 47 PRO HB3 H 1 1.959 0.030 . 2 . . . . 47 PRO HB3 . 11235 1 553 . 1 1 47 47 PRO HD2 H 1 4.023 0.030 . 2 . . . . 47 PRO HD2 . 11235 1 554 . 1 1 47 47 PRO HD3 H 1 4.122 0.030 . 2 . . . . 47 PRO HD3 . 11235 1 555 . 1 1 47 47 PRO HG2 H 1 2.274 0.030 . 2 . . . . 47 PRO HG2 . 11235 1 556 . 1 1 47 47 PRO HG3 H 1 2.009 0.030 . 2 . . . . 47 PRO HG3 . 11235 1 557 . 1 1 47 47 PRO C C 13 174.956 0.300 . 1 . . . . 47 PRO C . 11235 1 558 . 1 1 47 47 PRO CA C 13 61.348 0.300 . 1 . . . . 47 PRO CA . 11235 1 559 . 1 1 47 47 PRO CB C 13 33.357 0.300 . 1 . . . . 47 PRO CB . 11235 1 560 . 1 1 47 47 PRO CD C 13 51.264 0.300 . 1 . . . . 47 PRO CD . 11235 1 561 . 1 1 47 47 PRO CG C 13 27.543 0.300 . 1 . . . . 47 PRO CG . 11235 1 562 . 1 1 48 48 PHE H H 1 7.482 0.030 . 1 . . . . 48 PHE H . 11235 1 563 . 1 1 48 48 PHE HA H 1 5.218 0.030 . 1 . . . . 48 PHE HA . 11235 1 564 . 1 1 48 48 PHE HB2 H 1 3.058 0.030 . 2 . . . . 48 PHE HB2 . 11235 1 565 . 1 1 48 48 PHE HB3 H 1 2.689 0.030 . 2 . . . . 48 PHE HB3 . 11235 1 566 . 1 1 48 48 PHE HD1 H 1 6.703 0.030 . 1 . . . . 48 PHE HD1 . 11235 1 567 . 1 1 48 48 PHE HD2 H 1 6.703 0.030 . 1 . . . . 48 PHE HD2 . 11235 1 568 . 1 1 48 48 PHE HE1 H 1 6.910 0.030 . 1 . . . . 48 PHE HE1 . 11235 1 569 . 1 1 48 48 PHE HE2 H 1 6.910 0.030 . 1 . . . . 48 PHE HE2 . 11235 1 570 . 1 1 48 48 PHE HZ H 1 7.277 0.030 . 1 . . . . 48 PHE HZ . 11235 1 571 . 1 1 48 48 PHE C C 13 173.546 0.300 . 1 . . . . 48 PHE C . 11235 1 572 . 1 1 48 48 PHE CA C 13 55.696 0.300 . 1 . . . . 48 PHE CA . 11235 1 573 . 1 1 48 48 PHE CB C 13 41.937 0.300 . 1 . . . . 48 PHE CB . 11235 1 574 . 1 1 48 48 PHE CD1 C 13 131.326 0.300 . 1 . . . . 48 PHE CD1 . 11235 1 575 . 1 1 48 48 PHE CD2 C 13 131.326 0.300 . 1 . . . . 48 PHE CD2 . 11235 1 576 . 1 1 48 48 PHE CE1 C 13 130.186 0.300 . 1 . . . . 48 PHE CE1 . 11235 1 577 . 1 1 48 48 PHE CE2 C 13 130.186 0.300 . 1 . . . . 48 PHE CE2 . 11235 1 578 . 1 1 48 48 PHE CZ C 13 130.270 0.300 . 1 . . . . 48 PHE CZ . 11235 1 579 . 1 1 48 48 PHE N N 15 113.424 0.300 . 1 . . . . 48 PHE N . 11235 1 580 . 1 1 49 49 GLN H H 1 9.092 0.030 . 1 . . . . 49 GLN H . 11235 1 581 . 1 1 49 49 GLN HA H 1 4.769 0.030 . 1 . . . . 49 GLN HA . 11235 1 582 . 1 1 49 49 GLN HB2 H 1 2.090 0.030 . 2 . . . . 49 GLN HB2 . 11235 1 583 . 1 1 49 49 GLN HB3 H 1 2.000 0.030 . 2 . . . . 49 GLN HB3 . 11235 1 584 . 1 1 49 49 GLN HE21 H 1 7.894 0.030 . 2 . . . . 49 GLN HE21 . 11235 1 585 . 1 1 49 49 GLN HE22 H 1 6.950 0.030 . 2 . . . . 49 GLN HE22 . 11235 1 586 . 1 1 49 49 GLN HG2 H 1 2.422 0.030 . 2 . . . . 49 GLN HG2 . 11235 1 587 . 1 1 49 49 GLN HG3 H 1 2.304 0.030 . 2 . . . . 49 GLN HG3 . 11235 1 588 . 1 1 49 49 GLN C C 13 175.103 0.300 . 1 . . . . 49 GLN C . 11235 1 589 . 1 1 49 49 GLN CA C 13 53.608 0.300 . 1 . . . . 49 GLN CA . 11235 1 590 . 1 1 49 49 GLN CB C 13 32.264 0.300 . 1 . . . . 49 GLN CB . 11235 1 591 . 1 1 49 49 GLN CG C 13 34.575 0.300 . 1 . . . . 49 GLN CG . 11235 1 592 . 1 1 49 49 GLN N N 15 117.922 0.300 . 1 . . . . 49 GLN N . 11235 1 593 . 1 1 49 49 GLN NE2 N 15 112.861 0.300 . 1 . . . . 49 GLN NE2 . 11235 1 594 . 1 1 50 50 GLY H H 1 8.825 0.030 . 1 . . . . 50 GLY H . 11235 1 595 . 1 1 50 50 GLY HA2 H 1 3.975 0.030 . 2 . . . . 50 GLY HA2 . 11235 1 596 . 1 1 50 50 GLY HA3 H 1 3.562 0.030 . 2 . . . . 50 GLY HA3 . 11235 1 597 . 1 1 50 50 GLY C C 13 171.833 0.300 . 1 . . . . 50 GLY C . 11235 1 598 . 1 1 50 50 GLY CA C 13 45.819 0.300 . 1 . . . . 50 GLY CA . 11235 1 599 . 1 1 50 50 GLY N N 15 110.815 0.300 . 1 . . . . 50 GLY N . 11235 1 600 . 1 1 51 51 LYS H H 1 8.737 0.030 . 1 . . . . 51 LYS H . 11235 1 601 . 1 1 51 51 LYS HA H 1 4.413 0.030 . 1 . . . . 51 LYS HA . 11235 1 602 . 1 1 51 51 LYS HB2 H 1 1.682 0.030 . 2 . . . . 51 LYS HB2 . 11235 1 603 . 1 1 51 51 LYS HB3 H 1 1.819 0.030 . 2 . . . . 51 LYS HB3 . 11235 1 604 . 1 1 51 51 LYS HD2 H 1 1.594 0.030 . 2 . . . . 51 LYS HD2 . 11235 1 605 . 1 1 51 51 LYS HD3 H 1 1.702 0.030 . 2 . . . . 51 LYS HD3 . 11235 1 606 . 1 1 51 51 LYS HE2 H 1 3.003 0.030 . 1 . . . . 51 LYS HE2 . 11235 1 607 . 1 1 51 51 LYS HE3 H 1 3.003 0.030 . 1 . . . . 51 LYS HE3 . 11235 1 608 . 1 1 51 51 LYS HG2 H 1 1.486 0.030 . 2 . . . . 51 LYS HG2 . 11235 1 609 . 1 1 51 51 LYS HG3 H 1 1.430 0.030 . 2 . . . . 51 LYS HG3 . 11235 1 610 . 1 1 51 51 LYS C C 13 173.677 0.300 . 1 . . . . 51 LYS C . 11235 1 611 . 1 1 51 51 LYS CA C 13 54.732 0.300 . 1 . . . . 51 LYS CA . 11235 1 612 . 1 1 51 51 LYS CB C 13 36.399 0.300 . 1 . . . . 51 LYS CB . 11235 1 613 . 1 1 51 51 LYS CD C 13 29.482 0.300 . 1 . . . . 51 LYS CD . 11235 1 614 . 1 1 51 51 LYS CE C 13 42.156 0.300 . 1 . . . . 51 LYS CE . 11235 1 615 . 1 1 51 51 LYS CG C 13 24.732 0.300 . 1 . . . . 51 LYS CG . 11235 1 616 . 1 1 51 51 LYS N N 15 127.933 0.300 . 1 . . . . 51 LYS N . 11235 1 617 . 1 1 52 52 PRO HA H 1 4.602 0.030 . 1 . . . . 52 PRO HA . 11235 1 618 . 1 1 52 52 PRO HB2 H 1 2.400 0.030 . 2 . . . . 52 PRO HB2 . 11235 1 619 . 1 1 52 52 PRO HB3 H 1 2.155 0.030 . 2 . . . . 52 PRO HB3 . 11235 1 620 . 1 1 52 52 PRO HD2 H 1 3.557 0.030 . 1 . . . . 52 PRO HD2 . 11235 1 621 . 1 1 52 52 PRO HD3 H 1 3.557 0.030 . 1 . . . . 52 PRO HD3 . 11235 1 622 . 1 1 52 52 PRO HG2 H 1 1.936 0.030 . 2 . . . . 52 PRO HG2 . 11235 1 623 . 1 1 52 52 PRO HG3 H 1 1.764 0.030 . 2 . . . . 52 PRO HG3 . 11235 1 624 . 1 1 52 52 PRO C C 13 176.375 0.300 . 1 . . . . 52 PRO C . 11235 1 625 . 1 1 52 52 PRO CA C 13 62.357 0.300 . 1 . . . . 52 PRO CA . 11235 1 626 . 1 1 52 52 PRO CB C 13 34.607 0.300 . 1 . . . . 52 PRO CB . 11235 1 627 . 1 1 52 52 PRO CD C 13 50.189 0.300 . 1 . . . . 52 PRO CD . 11235 1 628 . 1 1 52 52 PRO CG C 13 24.784 0.300 . 1 . . . . 52 PRO CG . 11235 1 629 . 1 1 53 53 ARG H H 1 8.196 0.030 . 1 . . . . 53 ARG H . 11235 1 630 . 1 1 53 53 ARG HA H 1 4.339 0.030 . 1 . . . . 53 ARG HA . 11235 1 631 . 1 1 53 53 ARG HB2 H 1 1.922 0.030 . 2 . . . . 53 ARG HB2 . 11235 1 632 . 1 1 53 53 ARG HB3 H 1 1.734 0.030 . 2 . . . . 53 ARG HB3 . 11235 1 633 . 1 1 53 53 ARG HD2 H 1 3.261 0.030 . 2 . . . . 53 ARG HD2 . 11235 1 634 . 1 1 53 53 ARG HD3 H 1 3.215 0.030 . 2 . . . . 53 ARG HD3 . 11235 1 635 . 1 1 53 53 ARG HG2 H 1 1.767 0.030 . 1 . . . . 53 ARG HG2 . 11235 1 636 . 1 1 53 53 ARG HG3 H 1 1.767 0.030 . 1 . . . . 53 ARG HG3 . 11235 1 637 . 1 1 53 53 ARG C C 13 175.648 0.300 . 1 . . . . 53 ARG C . 11235 1 638 . 1 1 53 53 ARG CA C 13 55.232 0.300 . 1 . . . . 53 ARG CA . 11235 1 639 . 1 1 53 53 ARG CB C 13 30.232 0.300 . 1 . . . . 53 ARG CB . 11235 1 640 . 1 1 53 53 ARG CD C 13 43.774 0.300 . 1 . . . . 53 ARG CD . 11235 1 641 . 1 1 53 53 ARG CG C 13 26.607 0.300 . 1 . . . . 53 ARG CG . 11235 1 642 . 1 1 53 53 ARG N N 15 115.482 0.300 . 1 . . . . 53 ARG N . 11235 1 643 . 1 1 54 54 PRO HA H 1 4.433 0.030 . 1 . . . . 54 PRO HA . 11235 1 644 . 1 1 54 54 PRO HB2 H 1 1.368 0.030 . 2 . . . . 54 PRO HB2 . 11235 1 645 . 1 1 54 54 PRO HB3 H 1 1.674 0.030 . 2 . . . . 54 PRO HB3 . 11235 1 646 . 1 1 54 54 PRO HD2 H 1 3.604 0.030 . 2 . . . . 54 PRO HD2 . 11235 1 647 . 1 1 54 54 PRO HD3 H 1 3.763 0.030 . 2 . . . . 54 PRO HD3 . 11235 1 648 . 1 1 54 54 PRO HG2 H 1 1.528 0.030 . 2 . . . . 54 PRO HG2 . 11235 1 649 . 1 1 54 54 PRO HG3 H 1 1.582 0.030 . 2 . . . . 54 PRO HG3 . 11235 1 650 . 1 1 54 54 PRO C C 13 173.686 0.300 . 1 . . . . 54 PRO C . 11235 1 651 . 1 1 54 54 PRO CA C 13 62.268 0.300 . 1 . . . . 54 PRO CA . 11235 1 652 . 1 1 54 54 PRO CB C 13 33.012 0.300 . 1 . . . . 54 PRO CB . 11235 1 653 . 1 1 54 54 PRO CD C 13 51.529 0.300 . 1 . . . . 54 PRO CD . 11235 1 654 . 1 1 54 54 PRO CG C 13 26.909 0.300 . 1 . . . . 54 PRO CG . 11235 1 655 . 1 1 55 55 GLN H H 1 8.740 0.030 . 1 . . . . 55 GLN H . 11235 1 656 . 1 1 55 55 GLN HA H 1 4.447 0.030 . 1 . . . . 55 GLN HA . 11235 1 657 . 1 1 55 55 GLN HB2 H 1 1.957 0.030 . 1 . . . . 55 GLN HB2 . 11235 1 658 . 1 1 55 55 GLN HB3 H 1 1.957 0.030 . 1 . . . . 55 GLN HB3 . 11235 1 659 . 1 1 55 55 GLN HE21 H 1 7.467 0.030 . 2 . . . . 55 GLN HE21 . 11235 1 660 . 1 1 55 55 GLN HE22 H 1 6.827 0.030 . 2 . . . . 55 GLN HE22 . 11235 1 661 . 1 1 55 55 GLN HG2 H 1 2.347 0.030 . 2 . . . . 55 GLN HG2 . 11235 1 662 . 1 1 55 55 GLN HG3 H 1 2.276 0.030 . 2 . . . . 55 GLN HG3 . 11235 1 663 . 1 1 55 55 GLN C C 13 175.658 0.300 . 1 . . . . 55 GLN C . 11235 1 664 . 1 1 55 55 GLN CA C 13 55.252 0.300 . 1 . . . . 55 GLN CA . 11235 1 665 . 1 1 55 55 GLN CB C 13 29.833 0.300 . 1 . . . . 55 GLN CB . 11235 1 666 . 1 1 55 55 GLN CG C 13 33.857 0.300 . 1 . . . . 55 GLN CG . 11235 1 667 . 1 1 55 55 GLN N N 15 119.474 0.300 . 1 . . . . 55 GLN N . 11235 1 668 . 1 1 55 55 GLN NE2 N 15 112.235 0.300 . 1 . . . . 55 GLN NE2 . 11235 1 669 . 1 1 56 56 VAL H H 1 8.625 0.030 . 1 . . . . 56 VAL H . 11235 1 670 . 1 1 56 56 VAL HA H 1 4.754 0.030 . 1 . . . . 56 VAL HA . 11235 1 671 . 1 1 56 56 VAL HB H 1 1.901 0.030 . 1 . . . . 56 VAL HB . 11235 1 672 . 1 1 56 56 VAL HG11 H 1 0.661 0.030 . 1 . . . . 56 VAL HG1 . 11235 1 673 . 1 1 56 56 VAL HG12 H 1 0.661 0.030 . 1 . . . . 56 VAL HG1 . 11235 1 674 . 1 1 56 56 VAL HG13 H 1 0.661 0.030 . 1 . . . . 56 VAL HG1 . 11235 1 675 . 1 1 56 56 VAL HG21 H 1 0.416 0.030 . 1 . . . . 56 VAL HG2 . 11235 1 676 . 1 1 56 56 VAL HG22 H 1 0.416 0.030 . 1 . . . . 56 VAL HG2 . 11235 1 677 . 1 1 56 56 VAL HG23 H 1 0.416 0.030 . 1 . . . . 56 VAL HG2 . 11235 1 678 . 1 1 56 56 VAL C C 13 175.617 0.300 . 1 . . . . 56 VAL C . 11235 1 679 . 1 1 56 56 VAL CA C 13 61.629 0.300 . 1 . . . . 56 VAL CA . 11235 1 680 . 1 1 56 56 VAL CB C 13 33.185 0.300 . 1 . . . . 56 VAL CB . 11235 1 681 . 1 1 56 56 VAL CG1 C 13 21.029 0.300 . 2 . . . . 56 VAL CG1 . 11235 1 682 . 1 1 56 56 VAL CG2 C 13 21.452 0.300 . 2 . . . . 56 VAL CG2 . 11235 1 683 . 1 1 56 56 VAL N N 15 129.027 0.300 . 1 . . . . 56 VAL N . 11235 1 684 . 1 1 57 57 VAL H H 1 8.791 0.030 . 1 . . . . 57 VAL H . 11235 1 685 . 1 1 57 57 VAL HA H 1 4.456 0.030 . 1 . . . . 57 VAL HA . 11235 1 686 . 1 1 57 57 VAL HB H 1 1.875 0.030 . 1 . . . . 57 VAL HB . 11235 1 687 . 1 1 57 57 VAL HG11 H 1 0.923 0.030 . 1 . . . . 57 VAL HG1 . 11235 1 688 . 1 1 57 57 VAL HG12 H 1 0.923 0.030 . 1 . . . . 57 VAL HG1 . 11235 1 689 . 1 1 57 57 VAL HG13 H 1 0.923 0.030 . 1 . . . . 57 VAL HG1 . 11235 1 690 . 1 1 57 57 VAL HG21 H 1 0.841 0.030 . 1 . . . . 57 VAL HG2 . 11235 1 691 . 1 1 57 57 VAL HG22 H 1 0.841 0.030 . 1 . . . . 57 VAL HG2 . 11235 1 692 . 1 1 57 57 VAL HG23 H 1 0.841 0.030 . 1 . . . . 57 VAL HG2 . 11235 1 693 . 1 1 57 57 VAL C C 13 174.811 0.300 . 1 . . . . 57 VAL C . 11235 1 694 . 1 1 57 57 VAL CA C 13 61.743 0.300 . 1 . . . . 57 VAL CA . 11235 1 695 . 1 1 57 57 VAL CB C 13 35.870 0.300 . 1 . . . . 57 VAL CB . 11235 1 696 . 1 1 57 57 VAL CG1 C 13 21.270 0.300 . 2 . . . . 57 VAL CG1 . 11235 1 697 . 1 1 57 57 VAL CG2 C 13 21.107 0.300 . 2 . . . . 57 VAL CG2 . 11235 1 698 . 1 1 57 57 VAL N N 15 129.065 0.300 . 1 . . . . 57 VAL N . 11235 1 699 . 1 1 58 58 TRP H H 1 8.945 0.030 . 1 . . . . 58 TRP H . 11235 1 700 . 1 1 58 58 TRP HA H 1 5.744 0.030 . 1 . . . . 58 TRP HA . 11235 1 701 . 1 1 58 58 TRP HB2 H 1 3.207 0.030 . 1 . . . . 58 TRP HB2 . 11235 1 702 . 1 1 58 58 TRP HB3 H 1 3.207 0.030 . 1 . . . . 58 TRP HB3 . 11235 1 703 . 1 1 58 58 TRP HD1 H 1 7.118 0.030 . 1 . . . . 58 TRP HD1 . 11235 1 704 . 1 1 58 58 TRP HE1 H 1 9.877 0.030 . 1 . . . . 58 TRP HE1 . 11235 1 705 . 1 1 58 58 TRP HE3 H 1 7.477 0.030 . 1 . . . . 58 TRP HE3 . 11235 1 706 . 1 1 58 58 TRP HH2 H 1 6.553 0.030 . 1 . . . . 58 TRP HH2 . 11235 1 707 . 1 1 58 58 TRP HZ2 H 1 7.152 0.030 . 1 . . . . 58 TRP HZ2 . 11235 1 708 . 1 1 58 58 TRP HZ3 H 1 6.390 0.030 . 1 . . . . 58 TRP HZ3 . 11235 1 709 . 1 1 58 58 TRP C C 13 176.083 0.300 . 1 . . . . 58 TRP C . 11235 1 710 . 1 1 58 58 TRP CA C 13 56.059 0.300 . 1 . . . . 58 TRP CA . 11235 1 711 . 1 1 58 58 TRP CB C 13 32.813 0.300 . 1 . . . . 58 TRP CB . 11235 1 712 . 1 1 58 58 TRP CD1 C 13 127.125 0.300 . 1 . . . . 58 TRP CD1 . 11235 1 713 . 1 1 58 58 TRP CE3 C 13 119.635 0.300 . 1 . . . . 58 TRP CE3 . 11235 1 714 . 1 1 58 58 TRP CH2 C 13 123.020 0.300 . 1 . . . . 58 TRP CH2 . 11235 1 715 . 1 1 58 58 TRP CZ2 C 13 113.759 0.300 . 1 . . . . 58 TRP CZ2 . 11235 1 716 . 1 1 58 58 TRP CZ3 C 13 120.802 0.300 . 1 . . . . 58 TRP CZ3 . 11235 1 717 . 1 1 58 58 TRP N N 15 129.869 0.300 . 1 . . . . 58 TRP N . 11235 1 718 . 1 1 58 58 TRP NE1 N 15 128.519 0.300 . 1 . . . . 58 TRP NE1 . 11235 1 719 . 1 1 59 59 THR H H 1 9.562 0.030 . 1 . . . . 59 THR H . 11235 1 720 . 1 1 59 59 THR HA H 1 4.791 0.030 . 1 . . . . 59 THR HA . 11235 1 721 . 1 1 59 59 THR HB H 1 4.011 0.030 . 1 . . . . 59 THR HB . 11235 1 722 . 1 1 59 59 THR HG21 H 1 0.945 0.030 . 1 . . . . 59 THR HG2 . 11235 1 723 . 1 1 59 59 THR HG22 H 1 0.945 0.030 . 1 . . . . 59 THR HG2 . 11235 1 724 . 1 1 59 59 THR HG23 H 1 0.945 0.030 . 1 . . . . 59 THR HG2 . 11235 1 725 . 1 1 59 59 THR C C 13 173.588 0.300 . 1 . . . . 59 THR C . 11235 1 726 . 1 1 59 59 THR CA C 13 60.034 0.300 . 1 . . . . 59 THR CA . 11235 1 727 . 1 1 59 59 THR CB C 13 73.555 0.300 . 1 . . . . 59 THR CB . 11235 1 728 . 1 1 59 59 THR CG2 C 13 22.222 0.300 . 1 . . . . 59 THR CG2 . 11235 1 729 . 1 1 59 59 THR N N 15 112.232 0.300 . 1 . . . . 59 THR N . 11235 1 730 . 1 1 60 60 LYS H H 1 9.135 0.030 . 1 . . . . 60 LYS H . 11235 1 731 . 1 1 60 60 LYS HA H 1 4.735 0.030 . 1 . . . . 60 LYS HA . 11235 1 732 . 1 1 60 60 LYS HB2 H 1 1.818 0.030 . 2 . . . . 60 LYS HB2 . 11235 1 733 . 1 1 60 60 LYS HB3 H 1 1.375 0.030 . 2 . . . . 60 LYS HB3 . 11235 1 734 . 1 1 60 60 LYS HD2 H 1 1.499 0.030 . 2 . . . . 60 LYS HD2 . 11235 1 735 . 1 1 60 60 LYS HD3 H 1 1.470 0.030 . 2 . . . . 60 LYS HD3 . 11235 1 736 . 1 1 60 60 LYS HE2 H 1 2.619 0.030 . 2 . . . . 60 LYS HE2 . 11235 1 737 . 1 1 60 60 LYS HE3 H 1 2.746 0.030 . 2 . . . . 60 LYS HE3 . 11235 1 738 . 1 1 60 60 LYS HG2 H 1 0.816 0.030 . 2 . . . . 60 LYS HG2 . 11235 1 739 . 1 1 60 60 LYS HG3 H 1 -0.040 0.030 . 2 . . . . 60 LYS HG3 . 11235 1 740 . 1 1 60 60 LYS C C 13 177.651 0.300 . 1 . . . . 60 LYS C . 11235 1 741 . 1 1 60 60 LYS CA C 13 55.454 0.300 . 1 . . . . 60 LYS CA . 11235 1 742 . 1 1 60 60 LYS CB C 13 34.819 0.300 . 1 . . . . 60 LYS CB . 11235 1 743 . 1 1 60 60 LYS CD C 13 29.420 0.300 . 1 . . . . 60 LYS CD . 11235 1 744 . 1 1 60 60 LYS CE C 13 43.329 0.300 . 1 . . . . 60 LYS CE . 11235 1 745 . 1 1 60 60 LYS CG C 13 25.279 0.300 . 1 . . . . 60 LYS CG . 11235 1 746 . 1 1 60 60 LYS N N 15 120.349 0.300 . 1 . . . . 60 LYS N . 11235 1 747 . 1 1 61 61 GLY H H 1 9.335 0.030 . 1 . . . . 61 GLY H . 11235 1 748 . 1 1 61 61 GLY HA2 H 1 3.974 0.030 . 2 . . . . 61 GLY HA2 . 11235 1 749 . 1 1 61 61 GLY HA3 H 1 3.812 0.030 . 2 . . . . 61 GLY HA3 . 11235 1 750 . 1 1 61 61 GLY C C 13 176.523 0.300 . 1 . . . . 61 GLY C . 11235 1 751 . 1 1 61 61 GLY CA C 13 47.516 0.300 . 1 . . . . 61 GLY CA . 11235 1 752 . 1 1 61 61 GLY N N 15 124.536 0.300 . 1 . . . . 61 GLY N . 11235 1 753 . 1 1 62 62 GLY H H 1 9.720 0.030 . 1 . . . . 62 GLY H . 11235 1 754 . 1 1 62 62 GLY HA2 H 1 4.185 0.030 . 2 . . . . 62 GLY HA2 . 11235 1 755 . 1 1 62 62 GLY HA3 H 1 3.490 0.030 . 2 . . . . 62 GLY HA3 . 11235 1 756 . 1 1 62 62 GLY C C 13 172.822 0.300 . 1 . . . . 62 GLY C . 11235 1 757 . 1 1 62 62 GLY CA C 13 44.712 0.300 . 1 . . . . 62 GLY CA . 11235 1 758 . 1 1 62 62 GLY N N 15 107.299 0.300 . 1 . . . . 62 GLY N . 11235 1 759 . 1 1 63 63 ALA H H 1 7.850 0.030 . 1 . . . . 63 ALA H . 11235 1 760 . 1 1 63 63 ALA HA H 1 4.928 0.030 . 1 . . . . 63 ALA HA . 11235 1 761 . 1 1 63 63 ALA HB1 H 1 1.507 0.030 . 1 . . . . 63 ALA HB . 11235 1 762 . 1 1 63 63 ALA HB2 H 1 1.507 0.030 . 1 . . . . 63 ALA HB . 11235 1 763 . 1 1 63 63 ALA HB3 H 1 1.507 0.030 . 1 . . . . 63 ALA HB . 11235 1 764 . 1 1 63 63 ALA C C 13 173.975 0.300 . 1 . . . . 63 ALA C . 11235 1 765 . 1 1 63 63 ALA CA C 13 49.506 0.300 . 1 . . . . 63 ALA CA . 11235 1 766 . 1 1 63 63 ALA CB C 13 19.232 0.300 . 1 . . . . 63 ALA CB . 11235 1 767 . 1 1 63 63 ALA N N 15 125.419 0.300 . 1 . . . . 63 ALA N . 11235 1 768 . 1 1 64 64 PRO HA H 1 4.630 0.030 . 1 . . . . 64 PRO HA . 11235 1 769 . 1 1 64 64 PRO HB2 H 1 1.922 0.030 . 2 . . . . 64 PRO HB2 . 11235 1 770 . 1 1 64 64 PRO HB3 H 1 2.484 0.030 . 2 . . . . 64 PRO HB3 . 11235 1 771 . 1 1 64 64 PRO HD2 H 1 3.914 0.030 . 2 . . . . 64 PRO HD2 . 11235 1 772 . 1 1 64 64 PRO HD3 H 1 3.637 0.030 . 2 . . . . 64 PRO HD3 . 11235 1 773 . 1 1 64 64 PRO HG2 H 1 2.130 0.030 . 2 . . . . 64 PRO HG2 . 11235 1 774 . 1 1 64 64 PRO HG3 H 1 2.040 0.030 . 2 . . . . 64 PRO HG3 . 11235 1 775 . 1 1 64 64 PRO C C 13 177.283 0.300 . 1 . . . . 64 PRO C . 11235 1 776 . 1 1 64 64 PRO CA C 13 62.586 0.300 . 1 . . . . 64 PRO CA . 11235 1 777 . 1 1 64 64 PRO CB C 13 32.300 0.300 . 1 . . . . 64 PRO CB . 11235 1 778 . 1 1 64 64 PRO CD C 13 50.468 0.300 . 1 . . . . 64 PRO CD . 11235 1 779 . 1 1 64 64 PRO CG C 13 27.784 0.300 . 1 . . . . 64 PRO CG . 11235 1 780 . 1 1 65 65 LEU H H 1 8.491 0.030 . 1 . . . . 65 LEU H . 11235 1 781 . 1 1 65 65 LEU HA H 1 4.240 0.030 . 1 . . . . 65 LEU HA . 11235 1 782 . 1 1 65 65 LEU HB2 H 1 1.681 0.030 . 2 . . . . 65 LEU HB2 . 11235 1 783 . 1 1 65 65 LEU HB3 H 1 1.244 0.030 . 2 . . . . 65 LEU HB3 . 11235 1 784 . 1 1 65 65 LEU HD11 H 1 0.846 0.030 . 1 . . . . 65 LEU HD1 . 11235 1 785 . 1 1 65 65 LEU HD12 H 1 0.846 0.030 . 1 . . . . 65 LEU HD1 . 11235 1 786 . 1 1 65 65 LEU HD13 H 1 0.846 0.030 . 1 . . . . 65 LEU HD1 . 11235 1 787 . 1 1 65 65 LEU HD21 H 1 0.992 0.030 . 1 . . . . 65 LEU HD2 . 11235 1 788 . 1 1 65 65 LEU HD22 H 1 0.992 0.030 . 1 . . . . 65 LEU HD2 . 11235 1 789 . 1 1 65 65 LEU HD23 H 1 0.992 0.030 . 1 . . . . 65 LEU HD2 . 11235 1 790 . 1 1 65 65 LEU HG H 1 1.805 0.030 . 1 . . . . 65 LEU HG . 11235 1 791 . 1 1 65 65 LEU C C 13 177.094 0.300 . 1 . . . . 65 LEU C . 11235 1 792 . 1 1 65 65 LEU CA C 13 54.274 0.300 . 1 . . . . 65 LEU CA . 11235 1 793 . 1 1 65 65 LEU CB C 13 42.930 0.300 . 1 . . . . 65 LEU CB . 11235 1 794 . 1 1 65 65 LEU CD1 C 13 26.253 0.300 . 2 . . . . 65 LEU CD1 . 11235 1 795 . 1 1 65 65 LEU CD2 C 13 23.474 0.300 . 2 . . . . 65 LEU CD2 . 11235 1 796 . 1 1 65 65 LEU CG C 13 26.482 0.300 . 1 . . . . 65 LEU CG . 11235 1 797 . 1 1 65 65 LEU N N 15 120.992 0.300 . 1 . . . . 65 LEU N . 11235 1 798 . 1 1 66 66 ASP H H 1 8.804 0.030 . 1 . . . . 66 ASP H . 11235 1 799 . 1 1 66 66 ASP HA H 1 4.786 0.030 . 1 . . . . 66 ASP HA . 11235 1 800 . 1 1 66 66 ASP HB2 H 1 3.005 0.030 . 2 . . . . 66 ASP HB2 . 11235 1 801 . 1 1 66 66 ASP HB3 H 1 2.719 0.030 . 2 . . . . 66 ASP HB3 . 11235 1 802 . 1 1 66 66 ASP C C 13 177.351 0.300 . 1 . . . . 66 ASP C . 11235 1 803 . 1 1 66 66 ASP CA C 13 52.795 0.300 . 1 . . . . 66 ASP CA . 11235 1 804 . 1 1 66 66 ASP CB C 13 39.346 0.300 . 1 . . . . 66 ASP CB . 11235 1 805 . 1 1 66 66 ASP N N 15 120.315 0.300 . 1 . . . . 66 ASP N . 11235 1 806 . 1 1 67 67 THR H H 1 8.166 0.030 . 1 . . . . 67 THR H . 11235 1 807 . 1 1 67 67 THR HA H 1 4.533 0.030 . 1 . . . . 67 THR HA . 11235 1 808 . 1 1 67 67 THR HB H 1 4.597 0.030 . 1 . . . . 67 THR HB . 11235 1 809 . 1 1 67 67 THR HG21 H 1 1.345 0.030 . 1 . . . . 67 THR HG2 . 11235 1 810 . 1 1 67 67 THR HG22 H 1 1.345 0.030 . 1 . . . . 67 THR HG2 . 11235 1 811 . 1 1 67 67 THR HG23 H 1 1.345 0.030 . 1 . . . . 67 THR HG2 . 11235 1 812 . 1 1 67 67 THR C C 13 175.300 0.300 . 1 . . . . 67 THR C . 11235 1 813 . 1 1 67 67 THR CA C 13 63.154 0.300 . 1 . . . . 67 THR CA . 11235 1 814 . 1 1 67 67 THR CB C 13 68.258 0.300 . 1 . . . . 67 THR CB . 11235 1 815 . 1 1 67 67 THR CG2 C 13 22.014 0.300 . 1 . . . . 67 THR CG2 . 11235 1 816 . 1 1 67 67 THR N N 15 118.115 0.300 . 1 . . . . 67 THR N . 11235 1 817 . 1 1 68 68 SER H H 1 8.485 0.030 . 1 . . . . 68 SER H . 11235 1 818 . 1 1 68 68 SER HA H 1 4.442 0.030 . 1 . . . . 68 SER HA . 11235 1 819 . 1 1 68 68 SER HB2 H 1 3.989 0.030 . 2 . . . . 68 SER HB2 . 11235 1 820 . 1 1 68 68 SER HB3 H 1 3.928 0.030 . 2 . . . . 68 SER HB3 . 11235 1 821 . 1 1 68 68 SER C C 13 174.968 0.300 . 1 . . . . 68 SER C . 11235 1 822 . 1 1 68 68 SER CA C 13 60.434 0.300 . 1 . . . . 68 SER CA . 11235 1 823 . 1 1 68 68 SER CB C 13 63.107 0.300 . 1 . . . . 68 SER CB . 11235 1 824 . 1 1 68 68 SER N N 15 117.266 0.300 . 1 . . . . 68 SER N . 11235 1 825 . 1 1 69 69 ARG H H 1 7.242 0.030 . 1 . . . . 69 ARG H . 11235 1 826 . 1 1 69 69 ARG HA H 1 4.415 0.030 . 1 . . . . 69 ARG HA . 11235 1 827 . 1 1 69 69 ARG HB2 H 1 1.757 0.030 . 2 . . . . 69 ARG HB2 . 11235 1 828 . 1 1 69 69 ARG HB3 H 1 1.647 0.030 . 2 . . . . 69 ARG HB3 . 11235 1 829 . 1 1 69 69 ARG HD2 H 1 3.148 0.030 . 1 . . . . 69 ARG HD2 . 11235 1 830 . 1 1 69 69 ARG HD3 H 1 3.148 0.030 . 1 . . . . 69 ARG HD3 . 11235 1 831 . 1 1 69 69 ARG HE H 1 7.796 0.030 . 1 . . . . 69 ARG HE . 11235 1 832 . 1 1 69 69 ARG HG2 H 1 1.552 0.030 . 2 . . . . 69 ARG HG2 . 11235 1 833 . 1 1 69 69 ARG HG3 H 1 1.450 0.030 . 2 . . . . 69 ARG HG3 . 11235 1 834 . 1 1 69 69 ARG C C 13 174.099 0.300 . 1 . . . . 69 ARG C . 11235 1 835 . 1 1 69 69 ARG CA C 13 56.680 0.300 . 1 . . . . 69 ARG CA . 11235 1 836 . 1 1 69 69 ARG CB C 13 32.732 0.300 . 1 . . . . 69 ARG CB . 11235 1 837 . 1 1 69 69 ARG CD C 13 42.229 0.300 . 1 . . . . 69 ARG CD . 11235 1 838 . 1 1 69 69 ARG CG C 13 27.607 0.300 . 1 . . . . 69 ARG CG . 11235 1 839 . 1 1 69 69 ARG N N 15 119.627 0.300 . 1 . . . . 69 ARG N . 11235 1 840 . 1 1 69 69 ARG NE N 15 81.877 0.300 . 1 . . . . 69 ARG NE . 11235 1 841 . 1 1 70 70 VAL H H 1 7.980 0.030 . 1 . . . . 70 VAL H . 11235 1 842 . 1 1 70 70 VAL HA H 1 3.855 0.030 . 1 . . . . 70 VAL HA . 11235 1 843 . 1 1 70 70 VAL HB H 1 1.455 0.030 . 1 . . . . 70 VAL HB . 11235 1 844 . 1 1 70 70 VAL HG11 H 1 -0.345 0.030 . 1 . . . . 70 VAL HG1 . 11235 1 845 . 1 1 70 70 VAL HG12 H 1 -0.345 0.030 . 1 . . . . 70 VAL HG1 . 11235 1 846 . 1 1 70 70 VAL HG13 H 1 -0.345 0.030 . 1 . . . . 70 VAL HG1 . 11235 1 847 . 1 1 70 70 VAL HG21 H 1 0.579 0.030 . 1 . . . . 70 VAL HG2 . 11235 1 848 . 1 1 70 70 VAL HG22 H 1 0.579 0.030 . 1 . . . . 70 VAL HG2 . 11235 1 849 . 1 1 70 70 VAL HG23 H 1 0.579 0.030 . 1 . . . . 70 VAL HG2 . 11235 1 850 . 1 1 70 70 VAL C C 13 174.590 0.300 . 1 . . . . 70 VAL C . 11235 1 851 . 1 1 70 70 VAL CA C 13 61.149 0.300 . 1 . . . . 70 VAL CA . 11235 1 852 . 1 1 70 70 VAL CB C 13 31.827 0.300 . 1 . . . . 70 VAL CB . 11235 1 853 . 1 1 70 70 VAL CG1 C 13 21.119 0.300 . 2 . . . . 70 VAL CG1 . 11235 1 854 . 1 1 70 70 VAL CG2 C 13 19.774 0.300 . 2 . . . . 70 VAL CG2 . 11235 1 855 . 1 1 70 70 VAL N N 15 119.758 0.300 . 1 . . . . 70 VAL N . 11235 1 856 . 1 1 71 71 HIS H H 1 8.715 0.030 . 1 . . . . 71 HIS H . 11235 1 857 . 1 1 71 71 HIS HA H 1 4.679 0.030 . 1 . . . . 71 HIS HA . 11235 1 858 . 1 1 71 71 HIS HB2 H 1 3.121 0.030 . 2 . . . . 71 HIS HB2 . 11235 1 859 . 1 1 71 71 HIS HB3 H 1 3.063 0.030 . 2 . . . . 71 HIS HB3 . 11235 1 860 . 1 1 71 71 HIS HD2 H 1 6.838 0.030 . 1 . . . . 71 HIS HD2 . 11235 1 861 . 1 1 71 71 HIS HE1 H 1 7.720 0.030 . 1 . . . . 71 HIS HE1 . 11235 1 862 . 1 1 71 71 HIS C C 13 174.320 0.300 . 1 . . . . 71 HIS C . 11235 1 863 . 1 1 71 71 HIS CA C 13 54.618 0.300 . 1 . . . . 71 HIS CA . 11235 1 864 . 1 1 71 71 HIS CB C 13 31.732 0.300 . 1 . . . . 71 HIS CB . 11235 1 865 . 1 1 71 71 HIS CD2 C 13 120.283 0.300 . 1 . . . . 71 HIS CD2 . 11235 1 866 . 1 1 71 71 HIS CE1 C 13 137.982 0.300 . 1 . . . . 71 HIS CE1 . 11235 1 867 . 1 1 71 71 HIS N N 15 127.005 0.300 . 1 . . . . 71 HIS N . 11235 1 868 . 1 1 72 72 VAL H H 1 8.167 0.030 . 1 . . . . 72 VAL H . 11235 1 869 . 1 1 72 72 VAL HA H 1 5.235 0.030 . 1 . . . . 72 VAL HA . 11235 1 870 . 1 1 72 72 VAL HB H 1 1.768 0.030 . 1 . . . . 72 VAL HB . 11235 1 871 . 1 1 72 72 VAL HG11 H 1 0.789 0.030 . 1 . . . . 72 VAL HG1 . 11235 1 872 . 1 1 72 72 VAL HG12 H 1 0.789 0.030 . 1 . . . . 72 VAL HG1 . 11235 1 873 . 1 1 72 72 VAL HG13 H 1 0.789 0.030 . 1 . . . . 72 VAL HG1 . 11235 1 874 . 1 1 72 72 VAL HG21 H 1 0.445 0.030 . 1 . . . . 72 VAL HG2 . 11235 1 875 . 1 1 72 72 VAL HG22 H 1 0.445 0.030 . 1 . . . . 72 VAL HG2 . 11235 1 876 . 1 1 72 72 VAL HG23 H 1 0.445 0.030 . 1 . . . . 72 VAL HG2 . 11235 1 877 . 1 1 72 72 VAL C C 13 176.404 0.300 . 1 . . . . 72 VAL C . 11235 1 878 . 1 1 72 72 VAL CA C 13 59.964 0.300 . 1 . . . . 72 VAL CA . 11235 1 879 . 1 1 72 72 VAL CB C 13 34.113 0.300 . 1 . . . . 72 VAL CB . 11235 1 880 . 1 1 72 72 VAL CG1 C 13 21.409 0.300 . 2 . . . . 72 VAL CG1 . 11235 1 881 . 1 1 72 72 VAL CG2 C 13 20.764 0.300 . 2 . . . . 72 VAL CG2 . 11235 1 882 . 1 1 72 72 VAL N N 15 125.329 0.300 . 1 . . . . 72 VAL N . 11235 1 883 . 1 1 73 73 ARG H H 1 8.750 0.030 . 1 . . . . 73 ARG H . 11235 1 884 . 1 1 73 73 ARG HA H 1 4.787 0.030 . 1 . . . . 73 ARG HA . 11235 1 885 . 1 1 73 73 ARG HB2 H 1 1.783 0.030 . 2 . . . . 73 ARG HB2 . 11235 1 886 . 1 1 73 73 ARG HB3 H 1 1.672 0.030 . 2 . . . . 73 ARG HB3 . 11235 1 887 . 1 1 73 73 ARG HD2 H 1 3.142 0.030 . 1 . . . . 73 ARG HD2 . 11235 1 888 . 1 1 73 73 ARG HD3 H 1 3.142 0.030 . 1 . . . . 73 ARG HD3 . 11235 1 889 . 1 1 73 73 ARG HG2 H 1 1.570 0.030 . 2 . . . . 73 ARG HG2 . 11235 1 890 . 1 1 73 73 ARG HG3 H 1 1.528 0.030 . 2 . . . . 73 ARG HG3 . 11235 1 891 . 1 1 73 73 ARG C C 13 175.535 0.300 . 1 . . . . 73 ARG C . 11235 1 892 . 1 1 73 73 ARG CA C 13 54.805 0.300 . 1 . . . . 73 ARG CA . 11235 1 893 . 1 1 73 73 ARG CB C 13 32.920 0.300 . 1 . . . . 73 ARG CB . 11235 1 894 . 1 1 73 73 ARG CD C 13 43.521 0.300 . 1 . . . . 73 ARG CD . 11235 1 895 . 1 1 73 73 ARG CG C 13 27.107 0.300 . 1 . . . . 73 ARG CG . 11235 1 896 . 1 1 73 73 ARG N N 15 127.166 0.300 . 1 . . . . 73 ARG N . 11235 1 897 . 1 1 74 74 THR H H 1 9.230 0.030 . 1 . . . . 74 THR H . 11235 1 898 . 1 1 74 74 THR HA H 1 5.171 0.030 . 1 . . . . 74 THR HA . 11235 1 899 . 1 1 74 74 THR HB H 1 4.097 0.030 . 1 . . . . 74 THR HB . 11235 1 900 . 1 1 74 74 THR HG21 H 1 1.581 0.030 . 1 . . . . 74 THR HG2 . 11235 1 901 . 1 1 74 74 THR HG22 H 1 1.581 0.030 . 1 . . . . 74 THR HG2 . 11235 1 902 . 1 1 74 74 THR HG23 H 1 1.581 0.030 . 1 . . . . 74 THR HG2 . 11235 1 903 . 1 1 74 74 THR C C 13 173.147 0.300 . 1 . . . . 74 THR C . 11235 1 904 . 1 1 74 74 THR CA C 13 62.434 0.300 . 1 . . . . 74 THR CA . 11235 1 905 . 1 1 74 74 THR CB C 13 70.889 0.300 . 1 . . . . 74 THR CB . 11235 1 906 . 1 1 74 74 THR CG2 C 13 23.709 0.300 . 1 . . . . 74 THR CG2 . 11235 1 907 . 1 1 74 74 THR N N 15 126.132 0.300 . 1 . . . . 74 THR N . 11235 1 908 . 1 1 75 75 SER H H 1 9.562 0.030 . 1 . . . . 75 SER H . 11235 1 909 . 1 1 75 75 SER HA H 1 4.873 0.030 . 1 . . . . 75 SER HA . 11235 1 910 . 1 1 75 75 SER HB2 H 1 4.193 0.030 . 2 . . . . 75 SER HB2 . 11235 1 911 . 1 1 75 75 SER HB3 H 1 3.827 0.030 . 2 . . . . 75 SER HB3 . 11235 1 912 . 1 1 75 75 SER C C 13 173.054 0.300 . 1 . . . . 75 SER C . 11235 1 913 . 1 1 75 75 SER CA C 13 57.045 0.300 . 1 . . . . 75 SER CA . 11235 1 914 . 1 1 75 75 SER CB C 13 65.732 0.300 . 1 . . . . 75 SER CB . 11235 1 915 . 1 1 75 75 SER N N 15 128.180 0.300 . 1 . . . . 75 SER N . 11235 1 916 . 1 1 76 76 ASP H H 1 8.228 0.030 . 1 . . . . 76 ASP H . 11235 1 917 . 1 1 76 76 ASP HA H 1 4.509 0.030 . 1 . . . . 76 ASP HA . 11235 1 918 . 1 1 76 76 ASP HB2 H 1 2.430 0.030 . 2 . . . . 76 ASP HB2 . 11235 1 919 . 1 1 76 76 ASP HB3 H 1 2.227 0.030 . 2 . . . . 76 ASP HB3 . 11235 1 920 . 1 1 76 76 ASP C C 13 175.920 0.300 . 1 . . . . 76 ASP C . 11235 1 921 . 1 1 76 76 ASP CA C 13 56.089 0.300 . 1 . . . . 76 ASP CA . 11235 1 922 . 1 1 76 76 ASP CB C 13 40.607 0.300 . 1 . . . . 76 ASP CB . 11235 1 923 . 1 1 76 76 ASP N N 15 114.478 0.300 . 1 . . . . 76 ASP N . 11235 1 924 . 1 1 77 77 PHE H H 1 7.940 0.030 . 1 . . . . 77 PHE H . 11235 1 925 . 1 1 77 77 PHE HA H 1 4.334 0.030 . 1 . . . . 77 PHE HA . 11235 1 926 . 1 1 77 77 PHE HB2 H 1 2.991 0.030 . 2 . . . . 77 PHE HB2 . 11235 1 927 . 1 1 77 77 PHE HB3 H 1 2.855 0.030 . 2 . . . . 77 PHE HB3 . 11235 1 928 . 1 1 77 77 PHE HD1 H 1 7.108 0.030 . 1 . . . . 77 PHE HD1 . 11235 1 929 . 1 1 77 77 PHE HD2 H 1 7.108 0.030 . 1 . . . . 77 PHE HD2 . 11235 1 930 . 1 1 77 77 PHE HE1 H 1 7.338 0.030 . 1 . . . . 77 PHE HE1 . 11235 1 931 . 1 1 77 77 PHE HE2 H 1 7.338 0.030 . 1 . . . . 77 PHE HE2 . 11235 1 932 . 1 1 77 77 PHE HZ H 1 7.283 0.030 . 1 . . . . 77 PHE HZ . 11235 1 933 . 1 1 77 77 PHE C C 13 173.233 0.300 . 1 . . . . 77 PHE C . 11235 1 934 . 1 1 77 77 PHE CA C 13 56.349 0.300 . 1 . . . . 77 PHE CA . 11235 1 935 . 1 1 77 77 PHE CB C 13 41.293 0.300 . 1 . . . . 77 PHE CB . 11235 1 936 . 1 1 77 77 PHE CD1 C 13 131.982 0.300 . 1 . . . . 77 PHE CD1 . 11235 1 937 . 1 1 77 77 PHE CD2 C 13 131.982 0.300 . 1 . . . . 77 PHE CD2 . 11235 1 938 . 1 1 77 77 PHE CE1 C 13 131.262 0.300 . 1 . . . . 77 PHE CE1 . 11235 1 939 . 1 1 77 77 PHE CE2 C 13 131.262 0.300 . 1 . . . . 77 PHE CE2 . 11235 1 940 . 1 1 77 77 PHE CZ C 13 129.490 0.300 . 1 . . . . 77 PHE CZ . 11235 1 941 . 1 1 77 77 PHE N N 15 114.092 0.300 . 1 . . . . 77 PHE N . 11235 1 942 . 1 1 78 78 ASP H H 1 7.420 0.030 . 1 . . . . 78 ASP H . 11235 1 943 . 1 1 78 78 ASP HA H 1 4.572 0.030 . 1 . . . . 78 ASP HA . 11235 1 944 . 1 1 78 78 ASP HB2 H 1 2.771 0.030 . 2 . . . . 78 ASP HB2 . 11235 1 945 . 1 1 78 78 ASP HB3 H 1 2.229 0.030 . 2 . . . . 78 ASP HB3 . 11235 1 946 . 1 1 78 78 ASP C C 13 173.123 0.300 . 1 . . . . 78 ASP C . 11235 1 947 . 1 1 78 78 ASP CA C 13 53.024 0.300 . 1 . . . . 78 ASP CA . 11235 1 948 . 1 1 78 78 ASP CB C 13 41.851 0.300 . 1 . . . . 78 ASP CB . 11235 1 949 . 1 1 78 78 ASP N N 15 117.949 0.300 . 1 . . . . 78 ASP N . 11235 1 950 . 1 1 79 79 THR H H 1 8.349 0.030 . 1 . . . . 79 THR H . 11235 1 951 . 1 1 79 79 THR HA H 1 5.400 0.030 . 1 . . . . 79 THR HA . 11235 1 952 . 1 1 79 79 THR HB H 1 4.389 0.030 . 1 . . . . 79 THR HB . 11235 1 953 . 1 1 79 79 THR HG21 H 1 1.555 0.030 . 1 . . . . 79 THR HG2 . 11235 1 954 . 1 1 79 79 THR HG22 H 1 1.555 0.030 . 1 . . . . 79 THR HG2 . 11235 1 955 . 1 1 79 79 THR HG23 H 1 1.555 0.030 . 1 . . . . 79 THR HG2 . 11235 1 956 . 1 1 79 79 THR C C 13 170.646 0.300 . 1 . . . . 79 THR C . 11235 1 957 . 1 1 79 79 THR CA C 13 59.920 0.300 . 1 . . . . 79 THR CA . 11235 1 958 . 1 1 79 79 THR CB C 13 70.232 0.300 . 1 . . . . 79 THR CB . 11235 1 959 . 1 1 79 79 THR CG2 C 13 19.264 0.300 . 1 . . . . 79 THR CG2 . 11235 1 960 . 1 1 79 79 THR N N 15 113.752 0.300 . 1 . . . . 79 THR N . 11235 1 961 . 1 1 80 80 VAL H H 1 8.716 0.030 . 1 . . . . 80 VAL H . 11235 1 962 . 1 1 80 80 VAL HA H 1 5.255 0.030 . 1 . . . . 80 VAL HA . 11235 1 963 . 1 1 80 80 VAL HB H 1 1.977 0.030 . 1 . . . . 80 VAL HB . 11235 1 964 . 1 1 80 80 VAL HG11 H 1 0.985 0.030 . 1 . . . . 80 VAL HG1 . 11235 1 965 . 1 1 80 80 VAL HG12 H 1 0.985 0.030 . 1 . . . . 80 VAL HG1 . 11235 1 966 . 1 1 80 80 VAL HG13 H 1 0.985 0.030 . 1 . . . . 80 VAL HG1 . 11235 1 967 . 1 1 80 80 VAL HG21 H 1 0.910 0.030 . 1 . . . . 80 VAL HG2 . 11235 1 968 . 1 1 80 80 VAL HG22 H 1 0.910 0.030 . 1 . . . . 80 VAL HG2 . 11235 1 969 . 1 1 80 80 VAL HG23 H 1 0.910 0.030 . 1 . . . . 80 VAL HG2 . 11235 1 970 . 1 1 80 80 VAL C C 13 173.559 0.300 . 1 . . . . 80 VAL C . 11235 1 971 . 1 1 80 80 VAL CA C 13 60.717 0.300 . 1 . . . . 80 VAL CA . 11235 1 972 . 1 1 80 80 VAL CB C 13 34.934 0.300 . 1 . . . . 80 VAL CB . 11235 1 973 . 1 1 80 80 VAL CG1 C 13 21.768 0.300 . 2 . . . . 80 VAL CG1 . 11235 1 974 . 1 1 80 80 VAL CG2 C 13 21.034 0.300 . 2 . . . . 80 VAL CG2 . 11235 1 975 . 1 1 80 80 VAL N N 15 129.136 0.300 . 1 . . . . 80 VAL N . 11235 1 976 . 1 1 81 81 PHE H H 1 8.945 0.030 . 1 . . . . 81 PHE H . 11235 1 977 . 1 1 81 81 PHE HA H 1 4.300 0.030 . 1 . . . . 81 PHE HA . 11235 1 978 . 1 1 81 81 PHE HB2 H 1 1.442 0.030 . 2 . . . . 81 PHE HB2 . 11235 1 979 . 1 1 81 81 PHE HB3 H 1 2.645 0.030 . 2 . . . . 81 PHE HB3 . 11235 1 980 . 1 1 81 81 PHE HD1 H 1 5.789 0.030 . 1 . . . . 81 PHE HD1 . 11235 1 981 . 1 1 81 81 PHE HD2 H 1 5.789 0.030 . 1 . . . . 81 PHE HD2 . 11235 1 982 . 1 1 81 81 PHE HE1 H 1 6.434 0.030 . 1 . . . . 81 PHE HE1 . 11235 1 983 . 1 1 81 81 PHE HE2 H 1 6.434 0.030 . 1 . . . . 81 PHE HE2 . 11235 1 984 . 1 1 81 81 PHE HZ H 1 6.221 0.030 . 1 . . . . 81 PHE HZ . 11235 1 985 . 1 1 81 81 PHE C C 13 173.797 0.300 . 1 . . . . 81 PHE C . 11235 1 986 . 1 1 81 81 PHE CA C 13 55.670 0.300 . 1 . . . . 81 PHE CA . 11235 1 987 . 1 1 81 81 PHE CB C 13 41.714 0.300 . 1 . . . . 81 PHE CB . 11235 1 988 . 1 1 81 81 PHE CD1 C 13 130.385 0.300 . 1 . . . . 81 PHE CD1 . 11235 1 989 . 1 1 81 81 PHE CD2 C 13 130.385 0.300 . 1 . . . . 81 PHE CD2 . 11235 1 990 . 1 1 81 81 PHE CE1 C 13 130.000 0.300 . 1 . . . . 81 PHE CE1 . 11235 1 991 . 1 1 81 81 PHE CE2 C 13 130.000 0.300 . 1 . . . . 81 PHE CE2 . 11235 1 992 . 1 1 81 81 PHE CZ C 13 128.446 0.300 . 1 . . . . 81 PHE CZ . 11235 1 993 . 1 1 81 81 PHE N N 15 130.664 0.300 . 1 . . . . 81 PHE N . 11235 1 994 . 1 1 82 82 PHE H H 1 8.367 0.030 . 1 . . . . 82 PHE H . 11235 1 995 . 1 1 82 82 PHE HA H 1 5.815 0.030 . 1 . . . . 82 PHE HA . 11235 1 996 . 1 1 82 82 PHE HB2 H 1 2.967 0.030 . 2 . . . . 82 PHE HB2 . 11235 1 997 . 1 1 82 82 PHE HB3 H 1 2.909 0.030 . 2 . . . . 82 PHE HB3 . 11235 1 998 . 1 1 82 82 PHE HD1 H 1 7.186 0.030 . 1 . . . . 82 PHE HD1 . 11235 1 999 . 1 1 82 82 PHE HD2 H 1 7.186 0.030 . 1 . . . . 82 PHE HD2 . 11235 1 1000 . 1 1 82 82 PHE HE1 H 1 7.135 0.030 . 1 . . . . 82 PHE HE1 . 11235 1 1001 . 1 1 82 82 PHE HE2 H 1 7.135 0.030 . 1 . . . . 82 PHE HE2 . 11235 1 1002 . 1 1 82 82 PHE HZ H 1 7.111 0.030 . 1 . . . . 82 PHE HZ . 11235 1 1003 . 1 1 82 82 PHE C C 13 173.414 0.300 . 1 . . . . 82 PHE C . 11235 1 1004 . 1 1 82 82 PHE CA C 13 56.097 0.300 . 1 . . . . 82 PHE CA . 11235 1 1005 . 1 1 82 82 PHE CB C 13 43.159 0.300 . 1 . . . . 82 PHE CB . 11235 1 1006 . 1 1 82 82 PHE CD1 C 13 131.862 0.300 . 1 . . . . 82 PHE CD1 . 11235 1 1007 . 1 1 82 82 PHE CD2 C 13 131.862 0.300 . 1 . . . . 82 PHE CD2 . 11235 1 1008 . 1 1 82 82 PHE CE1 C 13 130.464 0.300 . 1 . . . . 82 PHE CE1 . 11235 1 1009 . 1 1 82 82 PHE CE2 C 13 130.464 0.300 . 1 . . . . 82 PHE CE2 . 11235 1 1010 . 1 1 82 82 PHE CZ C 13 128.742 0.300 . 1 . . . . 82 PHE CZ . 11235 1 1011 . 1 1 82 82 PHE N N 15 128.990 0.300 . 1 . . . . 82 PHE N . 11235 1 1012 . 1 1 83 83 VAL H H 1 8.375 0.030 . 1 . . . . 83 VAL H . 11235 1 1013 . 1 1 83 83 VAL HA H 1 3.894 0.030 . 1 . . . . 83 VAL HA . 11235 1 1014 . 1 1 83 83 VAL HB H 1 1.529 0.030 . 1 . . . . 83 VAL HB . 11235 1 1015 . 1 1 83 83 VAL HG11 H 1 0.639 0.030 . 1 . . . . 83 VAL HG1 . 11235 1 1016 . 1 1 83 83 VAL HG12 H 1 0.639 0.030 . 1 . . . . 83 VAL HG1 . 11235 1 1017 . 1 1 83 83 VAL HG13 H 1 0.639 0.030 . 1 . . . . 83 VAL HG1 . 11235 1 1018 . 1 1 83 83 VAL HG21 H 1 0.671 0.030 . 1 . . . . 83 VAL HG2 . 11235 1 1019 . 1 1 83 83 VAL HG22 H 1 0.671 0.030 . 1 . . . . 83 VAL HG2 . 11235 1 1020 . 1 1 83 83 VAL HG23 H 1 0.671 0.030 . 1 . . . . 83 VAL HG2 . 11235 1 1021 . 1 1 83 83 VAL C C 13 174.629 0.300 . 1 . . . . 83 VAL C . 11235 1 1022 . 1 1 83 83 VAL CA C 13 60.597 0.300 . 1 . . . . 83 VAL CA . 11235 1 1023 . 1 1 83 83 VAL CB C 13 35.575 0.300 . 1 . . . . 83 VAL CB . 11235 1 1024 . 1 1 83 83 VAL CG1 C 13 23.022 0.300 . 2 . . . . 83 VAL CG1 . 11235 1 1025 . 1 1 83 83 VAL CG2 C 13 20.486 0.300 . 2 . . . . 83 VAL CG2 . 11235 1 1026 . 1 1 83 83 VAL N N 15 127.995 0.300 . 1 . . . . 83 VAL N . 11235 1 1027 . 1 1 84 84 ARG H H 1 8.394 0.030 . 1 . . . . 84 ARG H . 11235 1 1028 . 1 1 84 84 ARG HA H 1 3.518 0.030 . 1 . . . . 84 ARG HA . 11235 1 1029 . 1 1 84 84 ARG HB2 H 1 1.789 0.030 . 1 . . . . 84 ARG HB2 . 11235 1 1030 . 1 1 84 84 ARG HB3 H 1 1.789 0.030 . 1 . . . . 84 ARG HB3 . 11235 1 1031 . 1 1 84 84 ARG HD2 H 1 3.311 0.030 . 1 . . . . 84 ARG HD2 . 11235 1 1032 . 1 1 84 84 ARG HD3 H 1 3.311 0.030 . 1 . . . . 84 ARG HD3 . 11235 1 1033 . 1 1 84 84 ARG HE H 1 7.125 0.030 . 1 . . . . 84 ARG HE . 11235 1 1034 . 1 1 84 84 ARG HG2 H 1 1.612 0.030 . 2 . . . . 84 ARG HG2 . 11235 1 1035 . 1 1 84 84 ARG HG3 H 1 1.706 0.030 . 2 . . . . 84 ARG HG3 . 11235 1 1036 . 1 1 84 84 ARG C C 13 175.570 0.300 . 1 . . . . 84 ARG C . 11235 1 1037 . 1 1 84 84 ARG CA C 13 59.952 0.300 . 1 . . . . 84 ARG CA . 11235 1 1038 . 1 1 84 84 ARG CB C 13 30.212 0.300 . 1 . . . . 84 ARG CB . 11235 1 1039 . 1 1 84 84 ARG CD C 13 43.148 0.300 . 1 . . . . 84 ARG CD . 11235 1 1040 . 1 1 84 84 ARG CG C 13 27.982 0.300 . 1 . . . . 84 ARG CG . 11235 1 1041 . 1 1 84 84 ARG N N 15 126.313 0.300 . 1 . . . . 84 ARG N . 11235 1 1042 . 1 1 85 85 GLN H H 1 7.806 0.030 . 1 . . . . 85 GLN H . 11235 1 1043 . 1 1 85 85 GLN HA H 1 4.050 0.030 . 1 . . . . 85 GLN HA . 11235 1 1044 . 1 1 85 85 GLN HB2 H 1 1.901 0.030 . 2 . . . . 85 GLN HB2 . 11235 1 1045 . 1 1 85 85 GLN HB3 H 1 1.727 0.030 . 2 . . . . 85 GLN HB3 . 11235 1 1046 . 1 1 85 85 GLN HE21 H 1 6.887 0.030 . 2 . . . . 85 GLN HE21 . 11235 1 1047 . 1 1 85 85 GLN HE22 H 1 7.666 0.030 . 2 . . . . 85 GLN HE22 . 11235 1 1048 . 1 1 85 85 GLN HG2 H 1 2.109 0.030 . 2 . . . . 85 GLN HG2 . 11235 1 1049 . 1 1 85 85 GLN HG3 H 1 2.298 0.030 . 2 . . . . 85 GLN HG3 . 11235 1 1050 . 1 1 85 85 GLN C C 13 173.819 0.300 . 1 . . . . 85 GLN C . 11235 1 1051 . 1 1 85 85 GLN CA C 13 53.954 0.300 . 1 . . . . 85 GLN CA . 11235 1 1052 . 1 1 85 85 GLN CB C 13 31.380 0.300 . 1 . . . . 85 GLN CB . 11235 1 1053 . 1 1 85 85 GLN CG C 13 34.180 0.300 . 1 . . . . 85 GLN CG . 11235 1 1054 . 1 1 85 85 GLN N N 15 115.124 0.300 . 1 . . . . 85 GLN N . 11235 1 1055 . 1 1 85 85 GLN NE2 N 15 112.312 0.300 . 1 . . . . 85 GLN NE2 . 11235 1 1056 . 1 1 86 86 ALA H H 1 9.083 0.030 . 1 . . . . 86 ALA H . 11235 1 1057 . 1 1 86 86 ALA HA H 1 4.039 0.030 . 1 . . . . 86 ALA HA . 11235 1 1058 . 1 1 86 86 ALA HB1 H 1 1.334 0.030 . 1 . . . . 86 ALA HB . 11235 1 1059 . 1 1 86 86 ALA HB2 H 1 1.334 0.030 . 1 . . . . 86 ALA HB . 11235 1 1060 . 1 1 86 86 ALA HB3 H 1 1.334 0.030 . 1 . . . . 86 ALA HB . 11235 1 1061 . 1 1 86 86 ALA C C 13 176.965 0.300 . 1 . . . . 86 ALA C . 11235 1 1062 . 1 1 86 86 ALA CA C 13 52.920 0.300 . 1 . . . . 86 ALA CA . 11235 1 1063 . 1 1 86 86 ALA CB C 13 19.232 0.300 . 1 . . . . 86 ALA CB . 11235 1 1064 . 1 1 86 86 ALA N N 15 126.142 0.300 . 1 . . . . 86 ALA N . 11235 1 1065 . 1 1 87 87 ALA H H 1 9.665 0.030 . 1 . . . . 87 ALA H . 11235 1 1066 . 1 1 87 87 ALA HA H 1 4.789 0.030 . 1 . . . . 87 ALA HA . 11235 1 1067 . 1 1 87 87 ALA HB1 H 1 1.393 0.030 . 1 . . . . 87 ALA HB . 11235 1 1068 . 1 1 87 87 ALA HB2 H 1 1.393 0.030 . 1 . . . . 87 ALA HB . 11235 1 1069 . 1 1 87 87 ALA HB3 H 1 1.393 0.030 . 1 . . . . 87 ALA HB . 11235 1 1070 . 1 1 87 87 ALA C C 13 177.932 0.300 . 1 . . . . 87 ALA C . 11235 1 1071 . 1 1 87 87 ALA CA C 13 49.834 0.300 . 1 . . . . 87 ALA CA . 11235 1 1072 . 1 1 87 87 ALA CB C 13 22.108 0.300 . 1 . . . . 87 ALA CB . 11235 1 1073 . 1 1 87 87 ALA N N 15 127.304 0.300 . 1 . . . . 87 ALA N . 11235 1 1074 . 1 1 88 88 ARG H H 1 9.390 0.030 . 1 . . . . 88 ARG H . 11235 1 1075 . 1 1 88 88 ARG HA H 1 3.883 0.030 . 1 . . . . 88 ARG HA . 11235 1 1076 . 1 1 88 88 ARG HB2 H 1 1.918 0.030 . 2 . . . . 88 ARG HB2 . 11235 1 1077 . 1 1 88 88 ARG HB3 H 1 1.812 0.030 . 2 . . . . 88 ARG HB3 . 11235 1 1078 . 1 1 88 88 ARG HD2 H 1 3.200 0.030 . 1 . . . . 88 ARG HD2 . 11235 1 1079 . 1 1 88 88 ARG HD3 H 1 3.200 0.030 . 1 . . . . 88 ARG HD3 . 11235 1 1080 . 1 1 88 88 ARG HG2 H 1 1.575 0.030 . 2 . . . . 88 ARG HG2 . 11235 1 1081 . 1 1 88 88 ARG HG3 H 1 1.816 0.030 . 2 . . . . 88 ARG HG3 . 11235 1 1082 . 1 1 88 88 ARG C C 13 179.558 0.300 . 1 . . . . 88 ARG C . 11235 1 1083 . 1 1 88 88 ARG CA C 13 60.081 0.300 . 1 . . . . 88 ARG CA . 11235 1 1084 . 1 1 88 88 ARG CB C 13 29.066 0.300 . 1 . . . . 88 ARG CB . 11235 1 1085 . 1 1 88 88 ARG CD C 13 42.883 0.300 . 1 . . . . 88 ARG CD . 11235 1 1086 . 1 1 88 88 ARG CG C 13 27.450 0.300 . 1 . . . . 88 ARG CG . 11235 1 1087 . 1 1 88 88 ARG N N 15 122.805 0.300 . 1 . . . . 88 ARG N . 11235 1 1088 . 1 1 89 89 SER H H 1 7.578 0.030 . 1 . . . . 89 SER H . 11235 1 1089 . 1 1 89 89 SER HA H 1 4.279 0.030 . 1 . . . . 89 SER HA . 11235 1 1090 . 1 1 89 89 SER HB2 H 1 3.835 0.030 . 2 . . . . 89 SER HB2 . 11235 1 1091 . 1 1 89 89 SER HB3 H 1 4.104 0.030 . 2 . . . . 89 SER HB3 . 11235 1 1092 . 1 1 89 89 SER C C 13 174.971 0.300 . 1 . . . . 89 SER C . 11235 1 1093 . 1 1 89 89 SER CA C 13 60.024 0.300 . 1 . . . . 89 SER CA . 11235 1 1094 . 1 1 89 89 SER CB C 13 62.332 0.300 . 1 . . . . 89 SER CB . 11235 1 1095 . 1 1 90 90 ASP H H 1 8.160 0.030 . 1 . . . . 90 ASP H . 11235 1 1096 . 1 1 90 90 ASP HA H 1 4.660 0.030 . 1 . . . . 90 ASP HA . 11235 1 1097 . 1 1 90 90 ASP HB2 H 1 2.935 0.030 . 2 . . . . 90 ASP HB2 . 11235 1 1098 . 1 1 90 90 ASP HB3 H 1 2.613 0.030 . 2 . . . . 90 ASP HB3 . 11235 1 1099 . 1 1 90 90 ASP C C 13 177.775 0.300 . 1 . . . . 90 ASP C . 11235 1 1100 . 1 1 90 90 ASP CA C 13 56.099 0.300 . 1 . . . . 90 ASP CA . 11235 1 1101 . 1 1 90 90 ASP CB C 13 41.534 0.300 . 1 . . . . 90 ASP CB . 11235 1 1102 . 1 1 90 90 ASP N N 15 119.489 0.300 . 1 . . . . 90 ASP N . 11235 1 1103 . 1 1 91 91 SER H H 1 7.971 0.030 . 1 . . . . 91 SER H . 11235 1 1104 . 1 1 91 91 SER HA H 1 4.316 0.030 . 1 . . . . 91 SER HA . 11235 1 1105 . 1 1 91 91 SER HB2 H 1 4.066 0.030 . 2 . . . . 91 SER HB2 . 11235 1 1106 . 1 1 91 91 SER HB3 H 1 4.209 0.030 . 2 . . . . 91 SER HB3 . 11235 1 1107 . 1 1 91 91 SER C C 13 172.806 0.300 . 1 . . . . 91 SER C . 11235 1 1108 . 1 1 91 91 SER CA C 13 60.309 0.300 . 1 . . . . 91 SER CA . 11235 1 1109 . 1 1 91 91 SER CB C 13 64.458 0.300 . 1 . . . . 91 SER CB . 11235 1 1110 . 1 1 91 91 SER N N 15 116.312 0.300 . 1 . . . . 91 SER N . 11235 1 1111 . 1 1 92 92 GLY H H 1 9.311 0.030 . 1 . . . . 92 GLY H . 11235 1 1112 . 1 1 92 92 GLY HA2 H 1 4.343 0.030 . 2 . . . . 92 GLY HA2 . 11235 1 1113 . 1 1 92 92 GLY HA3 H 1 3.905 0.030 . 2 . . . . 92 GLY HA3 . 11235 1 1114 . 1 1 92 92 GLY C C 13 170.899 0.300 . 1 . . . . 92 GLY C . 11235 1 1115 . 1 1 92 92 GLY CA C 13 44.503 0.300 . 1 . . . . 92 GLY CA . 11235 1 1116 . 1 1 92 92 GLY N N 15 110.892 0.300 . 1 . . . . 92 GLY N . 11235 1 1117 . 1 1 93 93 GLU H H 1 7.975 0.030 . 1 . . . . 93 GLU H . 11235 1 1118 . 1 1 93 93 GLU HA H 1 5.023 0.030 . 1 . . . . 93 GLU HA . 11235 1 1119 . 1 1 93 93 GLU HB2 H 1 1.909 0.030 . 1 . . . . 93 GLU HB2 . 11235 1 1120 . 1 1 93 93 GLU HB3 H 1 1.909 0.030 . 1 . . . . 93 GLU HB3 . 11235 1 1121 . 1 1 93 93 GLU HG2 H 1 2.247 0.030 . 2 . . . . 93 GLU HG2 . 11235 1 1122 . 1 1 93 93 GLU HG3 H 1 2.129 0.030 . 2 . . . . 93 GLU HG3 . 11235 1 1123 . 1 1 93 93 GLU C C 13 174.608 0.300 . 1 . . . . 93 GLU C . 11235 1 1124 . 1 1 93 93 GLU CA C 13 55.691 0.300 . 1 . . . . 93 GLU CA . 11235 1 1125 . 1 1 93 93 GLU CB C 13 31.212 0.300 . 1 . . . . 93 GLU CB . 11235 1 1126 . 1 1 93 93 GLU CG C 13 37.580 0.300 . 1 . . . . 93 GLU CG . 11235 1 1127 . 1 1 93 93 GLU N N 15 119.593 0.300 . 1 . . . . 93 GLU N . 11235 1 1128 . 1 1 94 94 TYR H H 1 9.460 0.030 . 1 . . . . 94 TYR H . 11235 1 1129 . 1 1 94 94 TYR HA H 1 5.225 0.030 . 1 . . . . 94 TYR HA . 11235 1 1130 . 1 1 94 94 TYR HB2 H 1 2.898 0.030 . 2 . . . . 94 TYR HB2 . 11235 1 1131 . 1 1 94 94 TYR HB3 H 1 3.143 0.030 . 2 . . . . 94 TYR HB3 . 11235 1 1132 . 1 1 94 94 TYR HD1 H 1 7.166 0.030 . 1 . . . . 94 TYR HD1 . 11235 1 1133 . 1 1 94 94 TYR HD2 H 1 7.166 0.030 . 1 . . . . 94 TYR HD2 . 11235 1 1134 . 1 1 94 94 TYR HE1 H 1 6.739 0.030 . 1 . . . . 94 TYR HE1 . 11235 1 1135 . 1 1 94 94 TYR HE2 H 1 6.739 0.030 . 1 . . . . 94 TYR HE2 . 11235 1 1136 . 1 1 94 94 TYR C C 13 174.816 0.300 . 1 . . . . 94 TYR C . 11235 1 1137 . 1 1 94 94 TYR CA C 13 56.722 0.300 . 1 . . . . 94 TYR CA . 11235 1 1138 . 1 1 94 94 TYR CB C 13 40.430 0.300 . 1 . . . . 94 TYR CB . 11235 1 1139 . 1 1 94 94 TYR CD1 C 13 133.115 0.300 . 1 . . . . 94 TYR CD1 . 11235 1 1140 . 1 1 94 94 TYR CD2 C 13 133.115 0.300 . 1 . . . . 94 TYR CD2 . 11235 1 1141 . 1 1 94 94 TYR CE1 C 13 117.060 0.300 . 1 . . . . 94 TYR CE1 . 11235 1 1142 . 1 1 94 94 TYR CE2 C 13 117.060 0.300 . 1 . . . . 94 TYR CE2 . 11235 1 1143 . 1 1 94 94 TYR N N 15 123.426 0.300 . 1 . . . . 94 TYR N . 11235 1 1144 . 1 1 95 95 GLU H H 1 8.932 0.030 . 1 . . . . 95 GLU H . 11235 1 1145 . 1 1 95 95 GLU HA H 1 5.176 0.030 . 1 . . . . 95 GLU HA . 11235 1 1146 . 1 1 95 95 GLU HB2 H 1 1.933 0.030 . 2 . . . . 95 GLU HB2 . 11235 1 1147 . 1 1 95 95 GLU HB3 H 1 1.796 0.030 . 2 . . . . 95 GLU HB3 . 11235 1 1148 . 1 1 95 95 GLU HG2 H 1 2.079 0.030 . 2 . . . . 95 GLU HG2 . 11235 1 1149 . 1 1 95 95 GLU HG3 H 1 1.965 0.030 . 2 . . . . 95 GLU HG3 . 11235 1 1150 . 1 1 95 95 GLU C C 13 173.721 0.300 . 1 . . . . 95 GLU C . 11235 1 1151 . 1 1 95 95 GLU CA C 13 54.826 0.300 . 1 . . . . 95 GLU CA . 11235 1 1152 . 1 1 95 95 GLU CB C 13 30.639 0.300 . 1 . . . . 95 GLU CB . 11235 1 1153 . 1 1 95 95 GLU CG C 13 36.724 0.300 . 1 . . . . 95 GLU CG . 11235 1 1154 . 1 1 95 95 GLU N N 15 120.337 0.300 . 1 . . . . 95 GLU N . 11235 1 1155 . 1 1 96 96 LEU H H 1 8.571 0.030 . 1 . . . . 96 LEU H . 11235 1 1156 . 1 1 96 96 LEU HA H 1 4.553 0.030 . 1 . . . . 96 LEU HA . 11235 1 1157 . 1 1 96 96 LEU HB2 H 1 0.902 0.030 . 2 . . . . 96 LEU HB2 . 11235 1 1158 . 1 1 96 96 LEU HB3 H 1 -0.151 0.030 . 2 . . . . 96 LEU HB3 . 11235 1 1159 . 1 1 96 96 LEU HD11 H 1 0.151 0.030 . 1 . . . . 96 LEU HD1 . 11235 1 1160 . 1 1 96 96 LEU HD12 H 1 0.151 0.030 . 1 . . . . 96 LEU HD1 . 11235 1 1161 . 1 1 96 96 LEU HD13 H 1 0.151 0.030 . 1 . . . . 96 LEU HD1 . 11235 1 1162 . 1 1 96 96 LEU HD21 H 1 -0.420 0.030 . 1 . . . . 96 LEU HD2 . 11235 1 1163 . 1 1 96 96 LEU HD22 H 1 -0.420 0.030 . 1 . . . . 96 LEU HD2 . 11235 1 1164 . 1 1 96 96 LEU HD23 H 1 -0.420 0.030 . 1 . . . . 96 LEU HD2 . 11235 1 1165 . 1 1 96 96 LEU HG H 1 0.726 0.030 . 1 . . . . 96 LEU HG . 11235 1 1166 . 1 1 96 96 LEU C C 13 174.430 0.300 . 1 . . . . 96 LEU C . 11235 1 1167 . 1 1 96 96 LEU CA C 13 52.329 0.300 . 1 . . . . 96 LEU CA . 11235 1 1168 . 1 1 96 96 LEU CB C 13 44.004 0.300 . 1 . . . . 96 LEU CB . 11235 1 1169 . 1 1 96 96 LEU CD1 C 13 26.369 0.300 . 2 . . . . 96 LEU CD1 . 11235 1 1170 . 1 1 96 96 LEU CD2 C 13 21.444 0.300 . 2 . . . . 96 LEU CD2 . 11235 1 1171 . 1 1 96 96 LEU CG C 13 26.824 0.300 . 1 . . . . 96 LEU CG . 11235 1 1172 . 1 1 96 96 LEU N N 15 125.471 0.300 . 1 . . . . 96 LEU N . 11235 1 1173 . 1 1 97 97 SER H H 1 8.597 0.030 . 1 . . . . 97 SER H . 11235 1 1174 . 1 1 97 97 SER HA H 1 5.234 0.030 . 1 . . . . 97 SER HA . 11235 1 1175 . 1 1 97 97 SER HB2 H 1 3.528 0.030 . 2 . . . . 97 SER HB2 . 11235 1 1176 . 1 1 97 97 SER HB3 H 1 3.612 0.030 . 2 . . . . 97 SER HB3 . 11235 1 1177 . 1 1 97 97 SER C C 13 172.920 0.300 . 1 . . . . 97 SER C . 11235 1 1178 . 1 1 97 97 SER CA C 13 55.941 0.300 . 1 . . . . 97 SER CA . 11235 1 1179 . 1 1 97 97 SER CB C 13 65.483 0.300 . 1 . . . . 97 SER CB . 11235 1 1180 . 1 1 97 97 SER N N 15 119.176 0.300 . 1 . . . . 97 SER N . 11235 1 1181 . 1 1 98 98 VAL H H 1 8.502 0.030 . 1 . . . . 98 VAL H . 11235 1 1182 . 1 1 98 98 VAL HA H 1 4.572 0.030 . 1 . . . . 98 VAL HA . 11235 1 1183 . 1 1 98 98 VAL HB H 1 1.478 0.030 . 1 . . . . 98 VAL HB . 11235 1 1184 . 1 1 98 98 VAL HG11 H 1 0.335 0.030 . 1 . . . . 98 VAL HG1 . 11235 1 1185 . 1 1 98 98 VAL HG12 H 1 0.335 0.030 . 1 . . . . 98 VAL HG1 . 11235 1 1186 . 1 1 98 98 VAL HG13 H 1 0.335 0.030 . 1 . . . . 98 VAL HG1 . 11235 1 1187 . 1 1 98 98 VAL HG21 H 1 0.400 0.030 . 1 . . . . 98 VAL HG2 . 11235 1 1188 . 1 1 98 98 VAL HG22 H 1 0.400 0.030 . 1 . . . . 98 VAL HG2 . 11235 1 1189 . 1 1 98 98 VAL HG23 H 1 0.400 0.030 . 1 . . . . 98 VAL HG2 . 11235 1 1190 . 1 1 98 98 VAL C C 13 174.215 0.300 . 1 . . . . 98 VAL C . 11235 1 1191 . 1 1 98 98 VAL CA C 13 60.607 0.300 . 1 . . . . 98 VAL CA . 11235 1 1192 . 1 1 98 98 VAL CB C 13 34.091 0.300 . 1 . . . . 98 VAL CB . 11235 1 1193 . 1 1 98 98 VAL CG1 C 13 21.378 0.300 . 2 . . . . 98 VAL CG1 . 11235 1 1194 . 1 1 98 98 VAL CG2 C 13 20.454 0.300 . 2 . . . . 98 VAL CG2 . 11235 1 1195 . 1 1 98 98 VAL N N 15 122.616 0.300 . 1 . . . . 98 VAL N . 11235 1 1196 . 1 1 99 99 GLN H H 1 8.678 0.030 . 1 . . . . 99 GLN H . 11235 1 1197 . 1 1 99 99 GLN HA H 1 5.342 0.030 . 1 . . . . 99 GLN HA . 11235 1 1198 . 1 1 99 99 GLN HB2 H 1 1.842 0.030 . 1 . . . . 99 GLN HB2 . 11235 1 1199 . 1 1 99 99 GLN HB3 H 1 1.842 0.030 . 1 . . . . 99 GLN HB3 . 11235 1 1200 . 1 1 99 99 GLN HE21 H 1 7.553 0.030 . 2 . . . . 99 GLN HE21 . 11235 1 1201 . 1 1 99 99 GLN HE22 H 1 6.674 0.030 . 2 . . . . 99 GLN HE22 . 11235 1 1202 . 1 1 99 99 GLN HG2 H 1 2.161 0.030 . 2 . . . . 99 GLN HG2 . 11235 1 1203 . 1 1 99 99 GLN HG3 H 1 2.236 0.030 . 2 . . . . 99 GLN HG3 . 11235 1 1204 . 1 1 99 99 GLN C C 13 174.910 0.300 . 1 . . . . 99 GLN C . 11235 1 1205 . 1 1 99 99 GLN CA C 13 54.204 0.300 . 1 . . . . 99 GLN CA . 11235 1 1206 . 1 1 99 99 GLN CB C 13 32.482 0.300 . 1 . . . . 99 GLN CB . 11235 1 1207 . 1 1 99 99 GLN CG C 13 32.934 0.300 . 1 . . . . 99 GLN CG . 11235 1 1208 . 1 1 99 99 GLN N N 15 125.381 0.300 . 1 . . . . 99 GLN N . 11235 1 1209 . 1 1 99 99 GLN NE2 N 15 109.860 0.300 . 1 . . . . 99 GLN NE2 . 11235 1 1210 . 1 1 100 100 ILE H H 1 8.640 0.030 . 1 . . . . 100 ILE H . 11235 1 1211 . 1 1 100 100 ILE HA H 1 4.180 0.030 . 1 . . . . 100 ILE HA . 11235 1 1212 . 1 1 100 100 ILE HB H 1 1.560 0.030 . 1 . . . . 100 ILE HB . 11235 1 1213 . 1 1 100 100 ILE HD11 H 1 0.726 0.030 . 1 . . . . 100 ILE HD1 . 11235 1 1214 . 1 1 100 100 ILE HD12 H 1 0.726 0.030 . 1 . . . . 100 ILE HD1 . 11235 1 1215 . 1 1 100 100 ILE HD13 H 1 0.726 0.030 . 1 . . . . 100 ILE HD1 . 11235 1 1216 . 1 1 100 100 ILE HG12 H 1 1.269 0.030 . 2 . . . . 100 ILE HG12 . 11235 1 1217 . 1 1 100 100 ILE HG13 H 1 0.914 0.030 . 2 . . . . 100 ILE HG13 . 11235 1 1218 . 1 1 100 100 ILE HG21 H 1 0.850 0.030 . 1 . . . . 100 ILE HG2 . 11235 1 1219 . 1 1 100 100 ILE HG22 H 1 0.850 0.030 . 1 . . . . 100 ILE HG2 . 11235 1 1220 . 1 1 100 100 ILE HG23 H 1 0.850 0.030 . 1 . . . . 100 ILE HG2 . 11235 1 1221 . 1 1 100 100 ILE C C 13 174.542 0.300 . 1 . . . . 100 ILE C . 11235 1 1222 . 1 1 100 100 ILE CA C 13 60.753 0.300 . 1 . . . . 100 ILE CA . 11235 1 1223 . 1 1 100 100 ILE CB C 13 41.309 0.300 . 1 . . . . 100 ILE CB . 11235 1 1224 . 1 1 100 100 ILE CD1 C 13 14.580 0.300 . 1 . . . . 100 ILE CD1 . 11235 1 1225 . 1 1 100 100 ILE CG1 C 13 27.369 0.300 . 1 . . . . 100 ILE CG1 . 11235 1 1226 . 1 1 100 100 ILE CG2 C 13 17.461 0.300 . 1 . . . . 100 ILE CG2 . 11235 1 1227 . 1 1 100 100 ILE N N 15 125.181 0.300 . 1 . . . . 100 ILE N . 11235 1 1228 . 1 1 101 101 GLU H H 1 9.200 0.030 . 1 . . . . 101 GLU H . 11235 1 1229 . 1 1 101 101 GLU HA H 1 3.707 0.030 . 1 . . . . 101 GLU HA . 11235 1 1230 . 1 1 101 101 GLU HB2 H 1 2.131 0.030 . 2 . . . . 101 GLU HB2 . 11235 1 1231 . 1 1 101 101 GLU HB3 H 1 2.193 0.030 . 2 . . . . 101 GLU HB3 . 11235 1 1232 . 1 1 101 101 GLU HG2 H 1 2.350 0.030 . 2 . . . . 101 GLU HG2 . 11235 1 1233 . 1 1 101 101 GLU HG3 H 1 2.243 0.030 . 2 . . . . 101 GLU HG3 . 11235 1 1234 . 1 1 101 101 GLU C C 13 175.574 0.300 . 1 . . . . 101 GLU C . 11235 1 1235 . 1 1 101 101 GLU CA C 13 58.234 0.300 . 1 . . . . 101 GLU CA . 11235 1 1236 . 1 1 101 101 GLU CB C 13 26.904 0.300 . 1 . . . . 101 GLU CB . 11235 1 1237 . 1 1 101 101 GLU CG C 13 36.128 0.300 . 1 . . . . 101 GLU CG . 11235 1 1238 . 1 1 101 101 GLU N N 15 124.445 0.300 . 1 . . . . 101 GLU N . 11235 1 1239 . 1 1 102 102 ASN H H 1 8.555 0.030 . 1 . . . . 102 ASN H . 11235 1 1240 . 1 1 102 102 ASN HA H 1 4.819 0.030 . 1 . . . . 102 ASN HA . 11235 1 1241 . 1 1 102 102 ASN HB2 H 1 2.893 0.030 . 1 . . . . 102 ASN HB2 . 11235 1 1242 . 1 1 102 102 ASN HB3 H 1 2.893 0.030 . 1 . . . . 102 ASN HB3 . 11235 1 1243 . 1 1 102 102 ASN HD21 H 1 6.956 0.030 . 2 . . . . 102 ASN HD21 . 11235 1 1244 . 1 1 102 102 ASN HD22 H 1 7.657 0.030 . 2 . . . . 102 ASN HD22 . 11235 1 1245 . 1 1 102 102 ASN C C 13 174.843 0.300 . 1 . . . . 102 ASN C . 11235 1 1246 . 1 1 102 102 ASN CA C 13 53.565 0.300 . 1 . . . . 102 ASN CA . 11235 1 1247 . 1 1 102 102 ASN CB C 13 38.139 0.300 . 1 . . . . 102 ASN CB . 11235 1 1248 . 1 1 102 102 ASN N N 15 119.582 0.300 . 1 . . . . 102 ASN N . 11235 1 1249 . 1 1 102 102 ASN ND2 N 15 113.435 0.300 . 1 . . . . 102 ASN ND2 . 11235 1 1250 . 1 1 103 103 MET H H 1 8.638 0.030 . 1 . . . . 103 MET H . 11235 1 1251 . 1 1 103 103 MET HA H 1 4.648 0.030 . 1 . . . . 103 MET HA . 11235 1 1252 . 1 1 103 103 MET HB2 H 1 2.184 0.030 . 2 . . . . 103 MET HB2 . 11235 1 1253 . 1 1 103 103 MET HB3 H 1 1.981 0.030 . 2 . . . . 103 MET HB3 . 11235 1 1254 . 1 1 103 103 MET HE1 H 1 2.122 0.030 . 1 . . . . 103 MET HE . 11235 1 1255 . 1 1 103 103 MET HE2 H 1 2.122 0.030 . 1 . . . . 103 MET HE . 11235 1 1256 . 1 1 103 103 MET HE3 H 1 2.122 0.030 . 1 . . . . 103 MET HE . 11235 1 1257 . 1 1 103 103 MET HG2 H 1 2.520 0.030 . 2 . . . . 103 MET HG2 . 11235 1 1258 . 1 1 103 103 MET HG3 H 1 2.608 0.030 . 2 . . . . 103 MET HG3 . 11235 1 1259 . 1 1 103 103 MET C C 13 174.184 0.300 . 1 . . . . 103 MET C . 11235 1 1260 . 1 1 103 103 MET CA C 13 55.253 0.300 . 1 . . . . 103 MET CA . 11235 1 1261 . 1 1 103 103 MET CB C 13 35.069 0.300 . 1 . . . . 103 MET CB . 11235 1 1262 . 1 1 103 103 MET CE C 13 17.357 0.300 . 1 . . . . 103 MET CE . 11235 1 1263 . 1 1 103 103 MET CG C 13 32.357 0.300 . 1 . . . . 103 MET CG . 11235 1 1264 . 1 1 103 103 MET N N 15 121.395 0.300 . 1 . . . . 103 MET N . 11235 1 1265 . 1 1 104 104 LYS H H 1 8.643 0.030 . 1 . . . . 104 LYS H . 11235 1 1266 . 1 1 104 104 LYS HA H 1 5.298 0.030 . 1 . . . . 104 LYS HA . 11235 1 1267 . 1 1 104 104 LYS HB2 H 1 1.605 0.030 . 2 . . . . 104 LYS HB2 . 11235 1 1268 . 1 1 104 104 LYS HB3 H 1 1.495 0.030 . 2 . . . . 104 LYS HB3 . 11235 1 1269 . 1 1 104 104 LYS HD2 H 1 1.467 0.030 . 1 . . . . 104 LYS HD2 . 11235 1 1270 . 1 1 104 104 LYS HD3 H 1 1.467 0.030 . 1 . . . . 104 LYS HD3 . 11235 1 1271 . 1 1 104 104 LYS HE2 H 1 2.757 0.030 . 1 . . . . 104 LYS HE2 . 11235 1 1272 . 1 1 104 104 LYS HE3 H 1 2.757 0.030 . 1 . . . . 104 LYS HE3 . 11235 1 1273 . 1 1 104 104 LYS HG2 H 1 1.120 0.030 . 1 . . . . 104 LYS HG2 . 11235 1 1274 . 1 1 104 104 LYS HG3 H 1 1.120 0.030 . 1 . . . . 104 LYS HG3 . 11235 1 1275 . 1 1 104 104 LYS C C 13 174.604 0.300 . 1 . . . . 104 LYS C . 11235 1 1276 . 1 1 104 104 LYS CA C 13 55.024 0.300 . 1 . . . . 104 LYS CA . 11235 1 1277 . 1 1 104 104 LYS CB C 13 36.805 0.300 . 1 . . . . 104 LYS CB . 11235 1 1278 . 1 1 104 104 LYS CD C 13 29.482 0.300 . 1 . . . . 104 LYS CD . 11235 1 1279 . 1 1 104 104 LYS CE C 13 41.654 0.300 . 1 . . . . 104 LYS CE . 11235 1 1280 . 1 1 104 104 LYS CG C 13 24.357 0.300 . 1 . . . . 104 LYS CG . 11235 1 1281 . 1 1 104 104 LYS N N 15 122.011 0.300 . 1 . . . . 104 LYS N . 11235 1 1282 . 1 1 105 105 ASP H H 1 8.793 0.030 . 1 . . . . 105 ASP H . 11235 1 1283 . 1 1 105 105 ASP HA H 1 5.189 0.030 . 1 . . . . 105 ASP HA . 11235 1 1284 . 1 1 105 105 ASP HB2 H 1 2.620 0.030 . 2 . . . . 105 ASP HB2 . 11235 1 1285 . 1 1 105 105 ASP HB3 H 1 2.200 0.030 . 2 . . . . 105 ASP HB3 . 11235 1 1286 . 1 1 105 105 ASP C C 13 174.456 0.300 . 1 . . . . 105 ASP C . 11235 1 1287 . 1 1 105 105 ASP CA C 13 53.243 0.300 . 1 . . . . 105 ASP CA . 11235 1 1288 . 1 1 105 105 ASP CB C 13 45.107 0.300 . 1 . . . . 105 ASP CB . 11235 1 1289 . 1 1 105 105 ASP N N 15 123.608 0.300 . 1 . . . . 105 ASP N . 11235 1 1290 . 1 1 106 106 THR H H 1 7.814 0.030 . 1 . . . . 106 THR H . 11235 1 1291 . 1 1 106 106 THR HA H 1 5.497 0.030 . 1 . . . . 106 THR HA . 11235 1 1292 . 1 1 106 106 THR HB H 1 3.954 0.030 . 1 . . . . 106 THR HB . 11235 1 1293 . 1 1 106 106 THR HG21 H 1 1.006 0.030 . 1 . . . . 106 THR HG2 . 11235 1 1294 . 1 1 106 106 THR HG22 H 1 1.006 0.030 . 1 . . . . 106 THR HG2 . 11235 1 1295 . 1 1 106 106 THR HG23 H 1 1.006 0.030 . 1 . . . . 106 THR HG2 . 11235 1 1296 . 1 1 106 106 THR C C 13 173.073 0.300 . 1 . . . . 106 THR C . 11235 1 1297 . 1 1 106 106 THR CA C 13 59.732 0.300 . 1 . . . . 106 THR CA . 11235 1 1298 . 1 1 106 106 THR CB C 13 72.232 0.300 . 1 . . . . 106 THR CB . 11235 1 1299 . 1 1 106 106 THR CG2 C 13 21.220 0.300 . 1 . . . . 106 THR CG2 . 11235 1 1300 . 1 1 106 106 THR N N 15 114.389 0.300 . 1 . . . . 106 THR N . 11235 1 1301 . 1 1 107 107 ALA H H 1 8.939 0.030 . 1 . . . . 107 ALA H . 11235 1 1302 . 1 1 107 107 ALA HA H 1 4.687 0.030 . 1 . . . . 107 ALA HA . 11235 1 1303 . 1 1 107 107 ALA HB1 H 1 1.266 0.030 . 1 . . . . 107 ALA HB . 11235 1 1304 . 1 1 107 107 ALA HB2 H 1 1.266 0.030 . 1 . . . . 107 ALA HB . 11235 1 1305 . 1 1 107 107 ALA HB3 H 1 1.266 0.030 . 1 . . . . 107 ALA HB . 11235 1 1306 . 1 1 107 107 ALA C C 13 175.212 0.300 . 1 . . . . 107 ALA C . 11235 1 1307 . 1 1 107 107 ALA CA C 13 51.119 0.300 . 1 . . . . 107 ALA CA . 11235 1 1308 . 1 1 107 107 ALA CB C 13 23.107 0.300 . 1 . . . . 107 ALA CB . 11235 1 1309 . 1 1 107 107 ALA N N 15 124.584 0.300 . 1 . . . . 107 ALA N . 11235 1 1310 . 1 1 108 108 THR H H 1 8.391 0.030 . 1 . . . . 108 THR H . 11235 1 1311 . 1 1 108 108 THR HA H 1 5.260 0.030 . 1 . . . . 108 THR HA . 11235 1 1312 . 1 1 108 108 THR HB H 1 3.919 0.030 . 1 . . . . 108 THR HB . 11235 1 1313 . 1 1 108 108 THR HG21 H 1 1.141 0.030 . 1 . . . . 108 THR HG2 . 11235 1 1314 . 1 1 108 108 THR HG22 H 1 1.141 0.030 . 1 . . . . 108 THR HG2 . 11235 1 1315 . 1 1 108 108 THR HG23 H 1 1.141 0.030 . 1 . . . . 108 THR HG2 . 11235 1 1316 . 1 1 108 108 THR C C 13 173.456 0.300 . 1 . . . . 108 THR C . 11235 1 1317 . 1 1 108 108 THR CA C 13 61.326 0.300 . 1 . . . . 108 THR CA . 11235 1 1318 . 1 1 108 108 THR CB C 13 70.704 0.300 . 1 . . . . 108 THR CB . 11235 1 1319 . 1 1 108 108 THR CG2 C 13 21.586 0.300 . 1 . . . . 108 THR CG2 . 11235 1 1320 . 1 1 108 108 THR N N 15 115.560 0.300 . 1 . . . . 108 THR N . 11235 1 1321 . 1 1 109 109 ILE H H 1 9.430 0.030 . 1 . . . . 109 ILE H . 11235 1 1322 . 1 1 109 109 ILE HA H 1 4.311 0.030 . 1 . . . . 109 ILE HA . 11235 1 1323 . 1 1 109 109 ILE HB H 1 1.677 0.030 . 1 . . . . 109 ILE HB . 11235 1 1324 . 1 1 109 109 ILE HD11 H 1 0.698 0.030 . 1 . . . . 109 ILE HD1 . 11235 1 1325 . 1 1 109 109 ILE HD12 H 1 0.698 0.030 . 1 . . . . 109 ILE HD1 . 11235 1 1326 . 1 1 109 109 ILE HD13 H 1 0.698 0.030 . 1 . . . . 109 ILE HD1 . 11235 1 1327 . 1 1 109 109 ILE HG12 H 1 1.431 0.030 . 2 . . . . 109 ILE HG12 . 11235 1 1328 . 1 1 109 109 ILE HG13 H 1 1.060 0.030 . 2 . . . . 109 ILE HG13 . 11235 1 1329 . 1 1 109 109 ILE HG21 H 1 0.833 0.030 . 1 . . . . 109 ILE HG2 . 11235 1 1330 . 1 1 109 109 ILE HG22 H 1 0.833 0.030 . 1 . . . . 109 ILE HG2 . 11235 1 1331 . 1 1 109 109 ILE HG23 H 1 0.833 0.030 . 1 . . . . 109 ILE HG2 . 11235 1 1332 . 1 1 109 109 ILE C C 13 173.978 0.300 . 1 . . . . 109 ILE C . 11235 1 1333 . 1 1 109 109 ILE CA C 13 60.264 0.300 . 1 . . . . 109 ILE CA . 11235 1 1334 . 1 1 109 109 ILE CB C 13 42.232 0.300 . 1 . . . . 109 ILE CB . 11235 1 1335 . 1 1 109 109 ILE CD1 C 13 14.988 0.300 . 1 . . . . 109 ILE CD1 . 11235 1 1336 . 1 1 109 109 ILE CG1 C 13 28.690 0.300 . 1 . . . . 109 ILE CG1 . 11235 1 1337 . 1 1 109 109 ILE CG2 C 13 18.235 0.300 . 1 . . . . 109 ILE CG2 . 11235 1 1338 . 1 1 109 109 ILE N N 15 126.024 0.300 . 1 . . . . 109 ILE N . 11235 1 1339 . 1 1 110 110 ARG H H 1 9.176 0.030 . 1 . . . . 110 ARG H . 11235 1 1340 . 1 1 110 110 ARG HA H 1 5.202 0.030 . 1 . . . . 110 ARG HA . 11235 1 1341 . 1 1 110 110 ARG HB2 H 1 1.759 0.030 . 2 . . . . 110 ARG HB2 . 11235 1 1342 . 1 1 110 110 ARG HB3 H 1 1.786 0.030 . 2 . . . . 110 ARG HB3 . 11235 1 1343 . 1 1 110 110 ARG HD2 H 1 3.180 0.030 . 2 . . . . 110 ARG HD2 . 11235 1 1344 . 1 1 110 110 ARG HD3 H 1 3.251 0.030 . 2 . . . . 110 ARG HD3 . 11235 1 1345 . 1 1 110 110 ARG HG2 H 1 1.633 0.030 . 2 . . . . 110 ARG HG2 . 11235 1 1346 . 1 1 110 110 ARG HG3 H 1 1.500 0.030 . 2 . . . . 110 ARG HG3 . 11235 1 1347 . 1 1 110 110 ARG C C 13 174.450 0.300 . 1 . . . . 110 ARG C . 11235 1 1348 . 1 1 110 110 ARG CA C 13 55.454 0.300 . 1 . . . . 110 ARG CA . 11235 1 1349 . 1 1 110 110 ARG CB C 13 32.170 0.300 . 1 . . . . 110 ARG CB . 11235 1 1350 . 1 1 110 110 ARG CD C 13 42.982 0.300 . 1 . . . . 110 ARG CD . 11235 1 1351 . 1 1 110 110 ARG CG C 13 28.607 0.300 . 1 . . . . 110 ARG CG . 11235 1 1352 . 1 1 110 110 ARG N N 15 126.808 0.300 . 1 . . . . 110 ARG N . 11235 1 1353 . 1 1 111 111 ILE H H 1 9.041 0.030 . 1 . . . . 111 ILE H . 11235 1 1354 . 1 1 111 111 ILE HA H 1 5.317 0.030 . 1 . . . . 111 ILE HA . 11235 1 1355 . 1 1 111 111 ILE HB H 1 2.105 0.030 . 1 . . . . 111 ILE HB . 11235 1 1356 . 1 1 111 111 ILE HD11 H 1 0.346 0.030 . 1 . . . . 111 ILE HD1 . 11235 1 1357 . 1 1 111 111 ILE HD12 H 1 0.346 0.030 . 1 . . . . 111 ILE HD1 . 11235 1 1358 . 1 1 111 111 ILE HD13 H 1 0.346 0.030 . 1 . . . . 111 ILE HD1 . 11235 1 1359 . 1 1 111 111 ILE HG12 H 1 1.622 0.030 . 2 . . . . 111 ILE HG12 . 11235 1 1360 . 1 1 111 111 ILE HG13 H 1 1.113 0.030 . 2 . . . . 111 ILE HG13 . 11235 1 1361 . 1 1 111 111 ILE HG21 H 1 0.871 0.030 . 1 . . . . 111 ILE HG2 . 11235 1 1362 . 1 1 111 111 ILE HG22 H 1 0.871 0.030 . 1 . . . . 111 ILE HG2 . 11235 1 1363 . 1 1 111 111 ILE HG23 H 1 0.871 0.030 . 1 . . . . 111 ILE HG2 . 11235 1 1364 . 1 1 111 111 ILE C C 13 176.406 0.300 . 1 . . . . 111 ILE C . 11235 1 1365 . 1 1 111 111 ILE CA C 13 59.534 0.300 . 1 . . . . 111 ILE CA . 11235 1 1366 . 1 1 111 111 ILE CB C 13 40.909 0.300 . 1 . . . . 111 ILE CB . 11235 1 1367 . 1 1 111 111 ILE CD1 C 13 13.274 0.300 . 1 . . . . 111 ILE CD1 . 11235 1 1368 . 1 1 111 111 ILE CG1 C 13 27.578 0.300 . 1 . . . . 111 ILE CG1 . 11235 1 1369 . 1 1 111 111 ILE CG2 C 13 17.375 0.300 . 1 . . . . 111 ILE CG2 . 11235 1 1370 . 1 1 111 111 ILE N N 15 123.490 0.300 . 1 . . . . 111 ILE N . 11235 1 1371 . 1 1 112 112 ARG H H 1 9.346 0.030 . 1 . . . . 112 ARG H . 11235 1 1372 . 1 1 112 112 ARG HA H 1 4.551 0.030 . 1 . . . . 112 ARG HA . 11235 1 1373 . 1 1 112 112 ARG HB2 H 1 1.684 0.030 . 2 . . . . 112 ARG HB2 . 11235 1 1374 . 1 1 112 112 ARG HB3 H 1 1.560 0.030 . 2 . . . . 112 ARG HB3 . 11235 1 1375 . 1 1 112 112 ARG HD2 H 1 3.159 0.030 . 2 . . . . 112 ARG HD2 . 11235 1 1376 . 1 1 112 112 ARG HD3 H 1 3.175 0.030 . 2 . . . . 112 ARG HD3 . 11235 1 1377 . 1 1 112 112 ARG HG2 H 1 1.389 0.030 . 2 . . . . 112 ARG HG2 . 11235 1 1378 . 1 1 112 112 ARG HG3 H 1 1.616 0.030 . 2 . . . . 112 ARG HG3 . 11235 1 1379 . 1 1 112 112 ARG C C 13 172.233 0.300 . 1 . . . . 112 ARG C . 11235 1 1380 . 1 1 112 112 ARG CA C 13 55.708 0.300 . 1 . . . . 112 ARG CA . 11235 1 1381 . 1 1 112 112 ARG CB C 13 33.607 0.300 . 1 . . . . 112 ARG CB . 11235 1 1382 . 1 1 112 112 ARG CD C 13 43.529 0.300 . 1 . . . . 112 ARG CD . 11235 1 1383 . 1 1 112 112 ARG CG C 13 27.282 0.300 . 1 . . . . 112 ARG CG . 11235 1 1384 . 1 1 112 112 ARG N N 15 131.301 0.300 . 1 . . . . 112 ARG N . 11235 1 1385 . 1 1 113 113 VAL H H 1 8.481 0.030 . 1 . . . . 113 VAL H . 11235 1 1386 . 1 1 113 113 VAL HA H 1 4.972 0.030 . 1 . . . . 113 VAL HA . 11235 1 1387 . 1 1 113 113 VAL HB H 1 1.856 0.030 . 1 . . . . 113 VAL HB . 11235 1 1388 . 1 1 113 113 VAL HG11 H 1 0.733 0.030 . 1 . . . . 113 VAL HG1 . 11235 1 1389 . 1 1 113 113 VAL HG12 H 1 0.733 0.030 . 1 . . . . 113 VAL HG1 . 11235 1 1390 . 1 1 113 113 VAL HG13 H 1 0.733 0.030 . 1 . . . . 113 VAL HG1 . 11235 1 1391 . 1 1 113 113 VAL HG21 H 1 0.427 0.030 . 1 . . . . 113 VAL HG2 . 11235 1 1392 . 1 1 113 113 VAL HG22 H 1 0.427 0.030 . 1 . . . . 113 VAL HG2 . 11235 1 1393 . 1 1 113 113 VAL HG23 H 1 0.427 0.030 . 1 . . . . 113 VAL HG2 . 11235 1 1394 . 1 1 113 113 VAL C C 13 176.329 0.300 . 1 . . . . 113 VAL C . 11235 1 1395 . 1 1 113 113 VAL CA C 13 60.316 0.300 . 1 . . . . 113 VAL CA . 11235 1 1396 . 1 1 113 113 VAL CB C 13 32.170 0.300 . 1 . . . . 113 VAL CB . 11235 1 1397 . 1 1 113 113 VAL CG1 C 13 21.294 0.300 . 2 . . . . 113 VAL CG1 . 11235 1 1398 . 1 1 113 113 VAL CG2 C 13 21.474 0.300 . 2 . . . . 113 VAL CG2 . 11235 1 1399 . 1 1 113 113 VAL N N 15 126.965 0.300 . 1 . . . . 113 VAL N . 11235 1 1400 . 1 1 114 114 VAL H H 1 8.711 0.030 . 1 . . . . 114 VAL H . 11235 1 1401 . 1 1 114 114 VAL HA H 1 4.534 0.030 . 1 . . . . 114 VAL HA . 11235 1 1402 . 1 1 114 114 VAL HB H 1 2.201 0.030 . 1 . . . . 114 VAL HB . 11235 1 1403 . 1 1 114 114 VAL HG11 H 1 0.853 0.030 . 1 . . . . 114 VAL HG1 . 11235 1 1404 . 1 1 114 114 VAL HG12 H 1 0.853 0.030 . 1 . . . . 114 VAL HG1 . 11235 1 1405 . 1 1 114 114 VAL HG13 H 1 0.853 0.030 . 1 . . . . 114 VAL HG1 . 11235 1 1406 . 1 1 114 114 VAL HG21 H 1 0.704 0.030 . 1 . . . . 114 VAL HG2 . 11235 1 1407 . 1 1 114 114 VAL HG22 H 1 0.704 0.030 . 1 . . . . 114 VAL HG2 . 11235 1 1408 . 1 1 114 114 VAL HG23 H 1 0.704 0.030 . 1 . . . . 114 VAL HG2 . 11235 1 1409 . 1 1 114 114 VAL C C 13 175.388 0.300 . 1 . . . . 114 VAL C . 11235 1 1410 . 1 1 114 114 VAL CA C 13 59.504 0.300 . 1 . . . . 114 VAL CA . 11235 1 1411 . 1 1 114 114 VAL CB C 13 34.357 0.300 . 1 . . . . 114 VAL CB . 11235 1 1412 . 1 1 114 114 VAL CG1 C 13 21.652 0.300 . 2 . . . . 114 VAL CG1 . 11235 1 1413 . 1 1 114 114 VAL CG2 C 13 18.505 0.300 . 2 . . . . 114 VAL CG2 . 11235 1 1414 . 1 1 114 114 VAL N N 15 121.210 0.300 . 1 . . . . 114 VAL N . 11235 1 1415 . 1 1 115 115 GLU H H 1 8.588 0.030 . 1 . . . . 115 GLU H . 11235 1 1416 . 1 1 115 115 GLU HA H 1 4.268 0.030 . 1 . . . . 115 GLU HA . 11235 1 1417 . 1 1 115 115 GLU HB2 H 1 2.111 0.030 . 2 . . . . 115 GLU HB2 . 11235 1 1418 . 1 1 115 115 GLU HB3 H 1 1.888 0.030 . 2 . . . . 115 GLU HB3 . 11235 1 1419 . 1 1 115 115 GLU HG2 H 1 2.344 0.030 . 2 . . . . 115 GLU HG2 . 11235 1 1420 . 1 1 115 115 GLU HG3 H 1 2.297 0.030 . 2 . . . . 115 GLU HG3 . 11235 1 1421 . 1 1 115 115 GLU C C 13 176.439 0.300 . 1 . . . . 115 GLU C . 11235 1 1422 . 1 1 115 115 GLU CA C 13 56.357 0.300 . 1 . . . . 115 GLU CA . 11235 1 1423 . 1 1 115 115 GLU CB C 13 30.515 0.300 . 1 . . . . 115 GLU CB . 11235 1 1424 . 1 1 115 115 GLU CG C 13 36.224 0.300 . 1 . . . . 115 GLU CG . 11235 1 1425 . 1 1 115 115 GLU N N 15 120.583 0.300 . 1 . . . . 115 GLU N . 11235 1 1426 . 1 1 116 116 LYS H H 1 8.492 0.030 . 1 . . . . 116 LYS H . 11235 1 1427 . 1 1 116 116 LYS HA H 1 4.196 0.030 . 1 . . . . 116 LYS HA . 11235 1 1428 . 1 1 116 116 LYS HB2 H 1 1.782 0.030 . 2 . . . . 116 LYS HB2 . 11235 1 1429 . 1 1 116 116 LYS HB3 H 1 1.844 0.030 . 2 . . . . 116 LYS HB3 . 11235 1 1430 . 1 1 116 116 LYS HD2 H 1 1.691 0.030 . 1 . . . . 116 LYS HD2 . 11235 1 1431 . 1 1 116 116 LYS HD3 H 1 1.691 0.030 . 1 . . . . 116 LYS HD3 . 11235 1 1432 . 1 1 116 116 LYS HE2 H 1 2.989 0.030 . 1 . . . . 116 LYS HE2 . 11235 1 1433 . 1 1 116 116 LYS HE3 H 1 2.989 0.030 . 1 . . . . 116 LYS HE3 . 11235 1 1434 . 1 1 116 116 LYS HG2 H 1 1.430 0.030 . 1 . . . . 116 LYS HG2 . 11235 1 1435 . 1 1 116 116 LYS HG3 H 1 1.430 0.030 . 1 . . . . 116 LYS HG3 . 11235 1 1436 . 1 1 116 116 LYS C C 13 175.716 0.300 . 1 . . . . 116 LYS C . 11235 1 1437 . 1 1 116 116 LYS CA C 13 56.809 0.300 . 1 . . . . 116 LYS CA . 11235 1 1438 . 1 1 116 116 LYS CB C 13 33.435 0.300 . 1 . . . . 116 LYS CB . 11235 1 1439 . 1 1 116 116 LYS CD C 13 29.410 0.300 . 1 . . . . 116 LYS CD . 11235 1 1440 . 1 1 116 116 LYS CE C 13 42.158 0.300 . 1 . . . . 116 LYS CE . 11235 1 1441 . 1 1 116 116 LYS CG C 13 24.824 0.300 . 1 . . . . 116 LYS CG . 11235 1 1442 . 1 1 116 116 LYS N N 15 120.858 0.300 . 1 . . . . 116 LYS N . 11235 1 1443 . 1 1 117 117 ALA H H 1 8.377 0.030 . 1 . . . . 117 ALA H . 11235 1 1444 . 1 1 117 117 ALA HA H 1 4.367 0.030 . 1 . . . . 117 ALA HA . 11235 1 1445 . 1 1 117 117 ALA HB1 H 1 1.388 0.030 . 1 . . . . 117 ALA HB . 11235 1 1446 . 1 1 117 117 ALA HB2 H 1 1.388 0.030 . 1 . . . . 117 ALA HB . 11235 1 1447 . 1 1 117 117 ALA HB3 H 1 1.388 0.030 . 1 . . . . 117 ALA HB . 11235 1 1448 . 1 1 117 117 ALA C C 13 176.835 0.300 . 1 . . . . 117 ALA C . 11235 1 1449 . 1 1 117 117 ALA CA C 13 52.263 0.300 . 1 . . . . 117 ALA CA . 11235 1 1450 . 1 1 117 117 ALA CB C 13 19.543 0.300 . 1 . . . . 117 ALA CB . 11235 1 1451 . 1 1 117 117 ALA N N 15 125.633 0.300 . 1 . . . . 117 ALA N . 11235 1 1452 . 1 1 118 118 GLY H H 1 7.975 0.030 . 1 . . . . 118 GLY H . 11235 1 1453 . 1 1 118 118 GLY HA2 H 1 3.742 0.030 . 1 . . . . 118 GLY HA2 . 11235 1 1454 . 1 1 118 118 GLY HA3 H 1 3.742 0.030 . 1 . . . . 118 GLY HA3 . 11235 1 1455 . 1 1 118 118 GLY C C 13 178.995 0.300 . 1 . . . . 118 GLY C . 11235 1 1456 . 1 1 118 118 GLY CA C 13 46.050 0.300 . 1 . . . . 118 GLY CA . 11235 1 1457 . 1 1 118 118 GLY N N 15 114.943 0.300 . 1 . . . . 118 GLY N . 11235 1 stop_ save_