data_11207 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11207 _Entry.Title ; Solution structure of the first PDZ domain of scribble homolog protein (hScrib) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Qin . . . 11207 2 T. Nagashima . . . 11207 3 F. Hayashi . . . 11207 4 S. Yokoyama . . . 11207 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)' . 11207 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11207 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 11207 '15N chemical shifts' 105 11207 '1H chemical shifts' 686 11207 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-21 2010-07-22 original author . 11207 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5Q 'BMRB Entry Tracking System' 11207 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11207 _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 first PDZ domain of scribble homolog protein (hScrib)' _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 . . . 11207 1 2 T. Nagashima . . . 11207 1 3 F. Hayashi . . . 11207 1 4 S. Yokoyama . . . 11207 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11207 _Assembly.ID 1 _Assembly.Name 'LAP4 protein' _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 'PDZ domain of scribble homolog protein (hScrib)' 1 $entity_1 A . yes native no no . . . 11207 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 1x5q . . . . . . 11207 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11207 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ 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 ; GSSGSSGEPARIEEEELTLT ILRQTGGLGISIAGGKGSTP YKGDDEGIFISRVSEEGPAA RAGVRVGDKLLEVNGVALQG AEHHEAVEALRGAGTAVQMR VWRESGPSSG ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X5Q . "Solution Structure Of The First Pdz Domain Of Scribble Homolog Protein (Hscrib)" . . . . . 100.00 110 100.00 100.00 4.87e-68 . . . . 11207 1 2 no PDB 2W4F . "Crystal Structure Of The First Pdz Domain Of Human Scrib1" . . . . . 81.82 97 100.00 100.00 1.10e-54 . . . . 11207 1 3 no REF XP_014394174 . "PREDICTED: protein scribble homolog [Myotis brandtii]" . . . . . 60.91 853 97.01 100.00 1.11e-31 . . . . 11207 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11207 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 . 11207 1 2 . SER . 11207 1 3 . SER . 11207 1 4 . GLY . 11207 1 5 . SER . 11207 1 6 . SER . 11207 1 7 . GLY . 11207 1 8 . GLU . 11207 1 9 . PRO . 11207 1 10 . ALA . 11207 1 11 . ARG . 11207 1 12 . ILE . 11207 1 13 . GLU . 11207 1 14 . GLU . 11207 1 15 . GLU . 11207 1 16 . GLU . 11207 1 17 . LEU . 11207 1 18 . THR . 11207 1 19 . LEU . 11207 1 20 . THR . 11207 1 21 . ILE . 11207 1 22 . LEU . 11207 1 23 . ARG . 11207 1 24 . GLN . 11207 1 25 . THR . 11207 1 26 . GLY . 11207 1 27 . GLY . 11207 1 28 . LEU . 11207 1 29 . GLY . 11207 1 30 . ILE . 11207 1 31 . SER . 11207 1 32 . ILE . 11207 1 33 . ALA . 11207 1 34 . GLY . 11207 1 35 . GLY . 11207 1 36 . LYS . 11207 1 37 . GLY . 11207 1 38 . SER . 11207 1 39 . THR . 11207 1 40 . PRO . 11207 1 41 . TYR . 11207 1 42 . LYS . 11207 1 43 . GLY . 11207 1 44 . ASP . 11207 1 45 . ASP . 11207 1 46 . GLU . 11207 1 47 . GLY . 11207 1 48 . ILE . 11207 1 49 . PHE . 11207 1 50 . ILE . 11207 1 51 . SER . 11207 1 52 . ARG . 11207 1 53 . VAL . 11207 1 54 . SER . 11207 1 55 . GLU . 11207 1 56 . GLU . 11207 1 57 . GLY . 11207 1 58 . PRO . 11207 1 59 . ALA . 11207 1 60 . ALA . 11207 1 61 . ARG . 11207 1 62 . ALA . 11207 1 63 . GLY . 11207 1 64 . VAL . 11207 1 65 . ARG . 11207 1 66 . VAL . 11207 1 67 . GLY . 11207 1 68 . ASP . 11207 1 69 . LYS . 11207 1 70 . LEU . 11207 1 71 . LEU . 11207 1 72 . GLU . 11207 1 73 . VAL . 11207 1 74 . ASN . 11207 1 75 . GLY . 11207 1 76 . VAL . 11207 1 77 . ALA . 11207 1 78 . LEU . 11207 1 79 . GLN . 11207 1 80 . GLY . 11207 1 81 . ALA . 11207 1 82 . GLU . 11207 1 83 . HIS . 11207 1 84 . HIS . 11207 1 85 . GLU . 11207 1 86 . ALA . 11207 1 87 . VAL . 11207 1 88 . GLU . 11207 1 89 . ALA . 11207 1 90 . LEU . 11207 1 91 . ARG . 11207 1 92 . GLY . 11207 1 93 . ALA . 11207 1 94 . GLY . 11207 1 95 . THR . 11207 1 96 . ALA . 11207 1 97 . VAL . 11207 1 98 . GLN . 11207 1 99 . MET . 11207 1 100 . ARG . 11207 1 101 . VAL . 11207 1 102 . TRP . 11207 1 103 . ARG . 11207 1 104 . GLU . 11207 1 105 . SER . 11207 1 106 . GLY . 11207 1 107 . PRO . 11207 1 108 . SER . 11207 1 109 . SER . 11207 1 110 . GLY . 11207 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 11207 1 . SER 2 2 11207 1 . SER 3 3 11207 1 . GLY 4 4 11207 1 . SER 5 5 11207 1 . SER 6 6 11207 1 . GLY 7 7 11207 1 . GLU 8 8 11207 1 . PRO 9 9 11207 1 . ALA 10 10 11207 1 . ARG 11 11 11207 1 . ILE 12 12 11207 1 . GLU 13 13 11207 1 . GLU 14 14 11207 1 . GLU 15 15 11207 1 . GLU 16 16 11207 1 . LEU 17 17 11207 1 . THR 18 18 11207 1 . LEU 19 19 11207 1 . THR 20 20 11207 1 . ILE 21 21 11207 1 . LEU 22 22 11207 1 . ARG 23 23 11207 1 . GLN 24 24 11207 1 . THR 25 25 11207 1 . GLY 26 26 11207 1 . GLY 27 27 11207 1 . LEU 28 28 11207 1 . GLY 29 29 11207 1 . ILE 30 30 11207 1 . SER 31 31 11207 1 . ILE 32 32 11207 1 . ALA 33 33 11207 1 . GLY 34 34 11207 1 . GLY 35 35 11207 1 . LYS 36 36 11207 1 . GLY 37 37 11207 1 . SER 38 38 11207 1 . THR 39 39 11207 1 . PRO 40 40 11207 1 . TYR 41 41 11207 1 . LYS 42 42 11207 1 . GLY 43 43 11207 1 . ASP 44 44 11207 1 . ASP 45 45 11207 1 . GLU 46 46 11207 1 . GLY 47 47 11207 1 . ILE 48 48 11207 1 . PHE 49 49 11207 1 . ILE 50 50 11207 1 . SER 51 51 11207 1 . ARG 52 52 11207 1 . VAL 53 53 11207 1 . SER 54 54 11207 1 . GLU 55 55 11207 1 . GLU 56 56 11207 1 . GLY 57 57 11207 1 . PRO 58 58 11207 1 . ALA 59 59 11207 1 . ALA 60 60 11207 1 . ARG 61 61 11207 1 . ALA 62 62 11207 1 . GLY 63 63 11207 1 . VAL 64 64 11207 1 . ARG 65 65 11207 1 . VAL 66 66 11207 1 . GLY 67 67 11207 1 . ASP 68 68 11207 1 . LYS 69 69 11207 1 . LEU 70 70 11207 1 . LEU 71 71 11207 1 . GLU 72 72 11207 1 . VAL 73 73 11207 1 . ASN 74 74 11207 1 . GLY 75 75 11207 1 . VAL 76 76 11207 1 . ALA 77 77 11207 1 . LEU 78 78 11207 1 . GLN 79 79 11207 1 . GLY 80 80 11207 1 . ALA 81 81 11207 1 . GLU 82 82 11207 1 . HIS 83 83 11207 1 . HIS 84 84 11207 1 . GLU 85 85 11207 1 . ALA 86 86 11207 1 . VAL 87 87 11207 1 . GLU 88 88 11207 1 . ALA 89 89 11207 1 . LEU 90 90 11207 1 . ARG 91 91 11207 1 . GLY 92 92 11207 1 . ALA 93 93 11207 1 . GLY 94 94 11207 1 . THR 95 95 11207 1 . ALA 96 96 11207 1 . VAL 97 97 11207 1 . GLN 98 98 11207 1 . MET 99 99 11207 1 . ARG 100 100 11207 1 . VAL 101 101 11207 1 . TRP 102 102 11207 1 . ARG 103 103 11207 1 . GLU 104 104 11207 1 . SER 105 105 11207 1 . GLY 106 106 11207 1 . PRO 107 107 11207 1 . SER 108 108 11207 1 . SER 109 109 11207 1 . GLY 110 110 11207 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 11207 _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 . . . . . . . . . . . . . . . . . . . . . 11207 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 11207 _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 . . P040628-05 . . . . . . 11207 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11207 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.20mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.20 . . mM . . . . 11207 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11207 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11207 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11207 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11207 1 6 H2O . . . . . . solvent 90 . . % . . . . 11207 1 7 D2O . . . . . . solvent 10 . . % . . . . 11207 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 11207 _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 11207 1 pH 7.0 0.05 pH 11207 1 pressure 1 0.001 atm 11207 1 temperature 298 0.1 K 11207 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11207 _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 . . 11207 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11207 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11207 _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 DelaglioF. . . 11207 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11207 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11207 _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 JohnsonB.A. . . 11207 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11207 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11207 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID KobayashiN. . . 11207 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11207 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11207 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GuntertP. . . 11207 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11207 5 'structure solution' 11207 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 11207 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11207 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11207 _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 . . . 11207 1 2 spectrometer_2 Varian INOVA . 900 . . . 11207 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 11207 _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 . . . . . . . . . . . . . . . . 11207 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11207 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 11207 _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 . . . . . . . . . 11207 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11207 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11207 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 11207 _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 11207 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11207 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 . . 11207 1 2 $NMRPipe . . 11207 1 3 $NMRView . . 11207 1 4 $Kujira . . 11207 1 5 $CYANA . . 11207 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 5 5 SER C C 13 174.761 0.300 . 1 . . . . 5 SER C . 11207 1 2 . 1 1 5 5 SER CA C 13 58.381 0.300 . 1 . . . . 5 SER CA . 11207 1 3 . 1 1 5 5 SER CB C 13 64.002 0.300 . 1 . . . . 5 SER CB . 11207 1 4 . 1 1 6 6 SER HA H 1 4.491 0.030 . 1 . . . . 6 SER HA . 11207 1 5 . 1 1 6 6 SER HB2 H 1 3.916 0.030 . 1 . . . . 6 SER HB2 . 11207 1 6 . 1 1 6 6 SER HB3 H 1 3.916 0.030 . 1 . . . . 6 SER HB3 . 11207 1 7 . 1 1 6 6 SER C C 13 174.953 0.300 . 1 . . . . 6 SER C . 11207 1 8 . 1 1 6 6 SER CA C 13 58.629 0.300 . 1 . . . . 6 SER CA . 11207 1 9 . 1 1 6 6 SER CB C 13 63.898 0.300 . 1 . . . . 6 SER CB . 11207 1 10 . 1 1 7 7 GLY H H 1 8.378 0.030 . 1 . . . . 7 GLY H . 11207 1 11 . 1 1 7 7 GLY HA2 H 1 3.971 0.030 . 1 . . . . 7 GLY HA2 . 11207 1 12 . 1 1 7 7 GLY HA3 H 1 3.971 0.030 . 1 . . . . 7 GLY HA3 . 11207 1 13 . 1 1 7 7 GLY C C 13 173.781 0.300 . 1 . . . . 7 GLY C . 11207 1 14 . 1 1 7 7 GLY CA C 13 45.146 0.300 . 1 . . . . 7 GLY CA . 11207 1 15 . 1 1 7 7 GLY N N 15 110.705 0.300 . 1 . . . . 7 GLY N . 11207 1 16 . 1 1 8 8 GLU H H 1 8.202 0.030 . 1 . . . . 8 GLU H . 11207 1 17 . 1 1 8 8 GLU HA H 1 4.595 0.030 . 1 . . . . 8 GLU HA . 11207 1 18 . 1 1 8 8 GLU HB2 H 1 2.043 0.030 . 2 . . . . 8 GLU HB2 . 11207 1 19 . 1 1 8 8 GLU HB3 H 1 1.867 0.030 . 2 . . . . 8 GLU HB3 . 11207 1 20 . 1 1 8 8 GLU HG2 H 1 2.276 0.030 . 1 . . . . 8 GLU HG2 . 11207 1 21 . 1 1 8 8 GLU HG3 H 1 2.276 0.030 . 1 . . . . 8 GLU HG3 . 11207 1 22 . 1 1 8 8 GLU C C 13 174.556 0.300 . 1 . . . . 8 GLU C . 11207 1 23 . 1 1 8 8 GLU CA C 13 54.361 0.300 . 1 . . . . 8 GLU CA . 11207 1 24 . 1 1 8 8 GLU CB C 13 29.747 0.300 . 1 . . . . 8 GLU CB . 11207 1 25 . 1 1 8 8 GLU CG C 13 35.931 0.300 . 1 . . . . 8 GLU CG . 11207 1 26 . 1 1 8 8 GLU N N 15 121.865 0.300 . 1 . . . . 8 GLU N . 11207 1 27 . 1 1 9 9 PRO HA H 1 4.401 0.030 . 1 . . . . 9 PRO HA . 11207 1 28 . 1 1 9 9 PRO HB2 H 1 2.295 0.030 . 2 . . . . 9 PRO HB2 . 11207 1 29 . 1 1 9 9 PRO HB3 H 1 1.898 0.030 . 2 . . . . 9 PRO HB3 . 11207 1 30 . 1 1 9 9 PRO HD2 H 1 3.674 0.030 . 2 . . . . 9 PRO HD2 . 11207 1 31 . 1 1 9 9 PRO HD3 H 1 3.818 0.030 . 2 . . . . 9 PRO HD3 . 11207 1 32 . 1 1 9 9 PRO HG2 H 1 2.020 0.030 . 1 . . . . 9 PRO HG2 . 11207 1 33 . 1 1 9 9 PRO HG3 H 1 2.020 0.030 . 1 . . . . 9 PRO HG3 . 11207 1 34 . 1 1 9 9 PRO C C 13 176.543 0.300 . 1 . . . . 9 PRO C . 11207 1 35 . 1 1 9 9 PRO CA C 13 63.110 0.300 . 1 . . . . 9 PRO CA . 11207 1 36 . 1 1 9 9 PRO CB C 13 32.122 0.300 . 1 . . . . 9 PRO CB . 11207 1 37 . 1 1 9 9 PRO CD C 13 50.677 0.300 . 1 . . . . 9 PRO CD . 11207 1 38 . 1 1 9 9 PRO CG C 13 27.450 0.300 . 1 . . . . 9 PRO CG . 11207 1 39 . 1 1 10 10 ALA H H 1 8.389 0.030 . 1 . . . . 10 ALA H . 11207 1 40 . 1 1 10 10 ALA HA H 1 4.270 0.030 . 1 . . . . 10 ALA HA . 11207 1 41 . 1 1 10 10 ALA HB1 H 1 1.370 0.030 . 1 . . . . 10 ALA HB . 11207 1 42 . 1 1 10 10 ALA HB2 H 1 1.370 0.030 . 1 . . . . 10 ALA HB . 11207 1 43 . 1 1 10 10 ALA HB3 H 1 1.370 0.030 . 1 . . . . 10 ALA HB . 11207 1 44 . 1 1 10 10 ALA C C 13 177.527 0.300 . 1 . . . . 10 ALA C . 11207 1 45 . 1 1 10 10 ALA CA C 13 52.338 0.300 . 1 . . . . 10 ALA CA . 11207 1 46 . 1 1 10 10 ALA CB C 13 19.316 0.300 . 1 . . . . 10 ALA CB . 11207 1 47 . 1 1 10 10 ALA N N 15 124.431 0.300 . 1 . . . . 10 ALA N . 11207 1 48 . 1 1 11 11 ARG H H 1 8.321 0.030 . 1 . . . . 11 ARG H . 11207 1 49 . 1 1 11 11 ARG HA H 1 4.356 0.030 . 1 . . . . 11 ARG HA . 11207 1 50 . 1 1 11 11 ARG HB2 H 1 1.823 0.030 . 2 . . . . 11 ARG HB2 . 11207 1 51 . 1 1 11 11 ARG HB3 H 1 1.735 0.030 . 2 . . . . 11 ARG HB3 . 11207 1 52 . 1 1 11 11 ARG HD2 H 1 3.197 0.030 . 1 . . . . 11 ARG HD2 . 11207 1 53 . 1 1 11 11 ARG HD3 H 1 3.197 0.030 . 1 . . . . 11 ARG HD3 . 11207 1 54 . 1 1 11 11 ARG HG2 H 1 1.608 0.030 . 2 . . . . 11 ARG HG2 . 11207 1 55 . 1 1 11 11 ARG HG3 H 1 1.550 0.030 . 2 . . . . 11 ARG HG3 . 11207 1 56 . 1 1 11 11 ARG C C 13 175.919 0.300 . 1 . . . . 11 ARG C . 11207 1 57 . 1 1 11 11 ARG CA C 13 55.822 0.300 . 1 . . . . 11 ARG CA . 11207 1 58 . 1 1 11 11 ARG CB C 13 31.097 0.300 . 1 . . . . 11 ARG CB . 11207 1 59 . 1 1 11 11 ARG CD C 13 43.411 0.300 . 1 . . . . 11 ARG CD . 11207 1 60 . 1 1 11 11 ARG CG C 13 27.221 0.300 . 1 . . . . 11 ARG CG . 11207 1 61 . 1 1 11 11 ARG N N 15 121.133 0.300 . 1 . . . . 11 ARG N . 11207 1 62 . 1 1 12 12 ILE H H 1 8.298 0.030 . 1 . . . . 12 ILE H . 11207 1 63 . 1 1 12 12 ILE HA H 1 4.220 0.030 . 1 . . . . 12 ILE HA . 11207 1 64 . 1 1 12 12 ILE HB H 1 1.847 0.030 . 1 . . . . 12 ILE HB . 11207 1 65 . 1 1 12 12 ILE HD11 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 11207 1 66 . 1 1 12 12 ILE HD12 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 11207 1 67 . 1 1 12 12 ILE HD13 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 11207 1 68 . 1 1 12 12 ILE HG12 H 1 1.469 0.030 . 2 . . . . 12 ILE HG12 . 11207 1 69 . 1 1 12 12 ILE HG13 H 1 1.182 0.030 . 2 . . . . 12 ILE HG13 . 11207 1 70 . 1 1 12 12 ILE HG21 H 1 0.897 0.030 . 1 . . . . 12 ILE HG2 . 11207 1 71 . 1 1 12 12 ILE HG22 H 1 0.897 0.030 . 1 . . . . 12 ILE HG2 . 11207 1 72 . 1 1 12 12 ILE HG23 H 1 0.897 0.030 . 1 . . . . 12 ILE HG2 . 11207 1 73 . 1 1 12 12 ILE C C 13 176.185 0.300 . 1 . . . . 12 ILE C . 11207 1 74 . 1 1 12 12 ILE CA C 13 60.991 0.300 . 1 . . . . 12 ILE CA . 11207 1 75 . 1 1 12 12 ILE CB C 13 38.757 0.300 . 1 . . . . 12 ILE CB . 11207 1 76 . 1 1 12 12 ILE CD1 C 13 12.942 0.300 . 1 . . . . 12 ILE CD1 . 11207 1 77 . 1 1 12 12 ILE CG1 C 13 27.338 0.300 . 1 . . . . 12 ILE CG1 . 11207 1 78 . 1 1 12 12 ILE CG2 C 13 17.824 0.300 . 1 . . . . 12 ILE CG2 . 11207 1 79 . 1 1 12 12 ILE N N 15 123.344 0.300 . 1 . . . . 12 ILE N . 11207 1 80 . 1 1 13 13 GLU H H 1 8.603 0.030 . 1 . . . . 13 GLU H . 11207 1 81 . 1 1 13 13 GLU HA H 1 4.358 0.030 . 1 . . . . 13 GLU HA . 11207 1 82 . 1 1 13 13 GLU HB2 H 1 2.053 0.030 . 2 . . . . 13 GLU HB2 . 11207 1 83 . 1 1 13 13 GLU HB3 H 1 1.884 0.030 . 2 . . . . 13 GLU HB3 . 11207 1 84 . 1 1 13 13 GLU HG2 H 1 2.260 0.030 . 2 . . . . 13 GLU HG2 . 11207 1 85 . 1 1 13 13 GLU HG3 H 1 2.225 0.030 . 2 . . . . 13 GLU HG3 . 11207 1 86 . 1 1 13 13 GLU C C 13 175.859 0.300 . 1 . . . . 13 GLU C . 11207 1 87 . 1 1 13 13 GLU CA C 13 56.481 0.300 . 1 . . . . 13 GLU CA . 11207 1 88 . 1 1 13 13 GLU CB C 13 30.570 0.300 . 1 . . . . 13 GLU CB . 11207 1 89 . 1 1 13 13 GLU CG C 13 36.349 0.300 . 1 . . . . 13 GLU CG . 11207 1 90 . 1 1 13 13 GLU N N 15 125.526 0.300 . 1 . . . . 13 GLU N . 11207 1 91 . 1 1 14 14 GLU H H 1 8.274 0.030 . 1 . . . . 14 GLU H . 11207 1 92 . 1 1 14 14 GLU HA H 1 4.502 0.030 . 1 . . . . 14 GLU HA . 11207 1 93 . 1 1 14 14 GLU HB2 H 1 1.932 0.030 . 2 . . . . 14 GLU HB2 . 11207 1 94 . 1 1 14 14 GLU HB3 H 1 1.853 0.030 . 2 . . . . 14 GLU HB3 . 11207 1 95 . 1 1 14 14 GLU HG2 H 1 2.245 0.030 . 1 . . . . 14 GLU HG2 . 11207 1 96 . 1 1 14 14 GLU HG3 H 1 2.245 0.030 . 1 . . . . 14 GLU HG3 . 11207 1 97 . 1 1 14 14 GLU C C 13 175.586 0.300 . 1 . . . . 14 GLU C . 11207 1 98 . 1 1 14 14 GLU CA C 13 55.950 0.300 . 1 . . . . 14 GLU CA . 11207 1 99 . 1 1 14 14 GLU CB C 13 31.145 0.300 . 1 . . . . 14 GLU CB . 11207 1 100 . 1 1 14 14 GLU CG C 13 36.424 0.300 . 1 . . . . 14 GLU CG . 11207 1 101 . 1 1 14 14 GLU N N 15 120.978 0.300 . 1 . . . . 14 GLU N . 11207 1 102 . 1 1 15 15 GLU H H 1 8.294 0.030 . 1 . . . . 15 GLU H . 11207 1 103 . 1 1 15 15 GLU HA H 1 4.310 0.030 . 1 . . . . 15 GLU HA . 11207 1 104 . 1 1 15 15 GLU HB2 H 1 1.734 0.030 . 2 . . . . 15 GLU HB2 . 11207 1 105 . 1 1 15 15 GLU HB3 H 1 1.685 0.030 . 2 . . . . 15 GLU HB3 . 11207 1 106 . 1 1 15 15 GLU HG2 H 1 2.037 0.030 . 1 . . . . 15 GLU HG2 . 11207 1 107 . 1 1 15 15 GLU HG3 H 1 2.037 0.030 . 1 . . . . 15 GLU HG3 . 11207 1 108 . 1 1 15 15 GLU C C 13 173.709 0.300 . 1 . . . . 15 GLU C . 11207 1 109 . 1 1 15 15 GLU CA C 13 56.007 0.300 . 1 . . . . 15 GLU CA . 11207 1 110 . 1 1 15 15 GLU CB C 13 32.273 0.300 . 1 . . . . 15 GLU CB . 11207 1 111 . 1 1 15 15 GLU CG C 13 36.427 0.300 . 1 . . . . 15 GLU CG . 11207 1 112 . 1 1 15 15 GLU N N 15 119.878 0.300 . 1 . . . . 15 GLU N . 11207 1 113 . 1 1 16 16 GLU H H 1 8.003 0.030 . 1 . . . . 16 GLU H . 11207 1 114 . 1 1 16 16 GLU HA H 1 5.409 0.030 . 1 . . . . 16 GLU HA . 11207 1 115 . 1 1 16 16 GLU HB2 H 1 2.032 0.030 . 2 . . . . 16 GLU HB2 . 11207 1 116 . 1 1 16 16 GLU HB3 H 1 1.962 0.030 . 2 . . . . 16 GLU HB3 . 11207 1 117 . 1 1 16 16 GLU HG2 H 1 2.164 0.030 . 2 . . . . 16 GLU HG2 . 11207 1 118 . 1 1 16 16 GLU HG3 H 1 2.374 0.030 . 2 . . . . 16 GLU HG3 . 11207 1 119 . 1 1 16 16 GLU C C 13 176.067 0.300 . 1 . . . . 16 GLU C . 11207 1 120 . 1 1 16 16 GLU CA C 13 54.767 0.300 . 1 . . . . 16 GLU CA . 11207 1 121 . 1 1 16 16 GLU CB C 13 31.945 0.300 . 1 . . . . 16 GLU CB . 11207 1 122 . 1 1 16 16 GLU CG C 13 37.345 0.300 . 1 . . . . 16 GLU CG . 11207 1 123 . 1 1 16 16 GLU N N 15 120.002 0.300 . 1 . . . . 16 GLU N . 11207 1 124 . 1 1 17 17 LEU H H 1 8.891 0.030 . 1 . . . . 17 LEU H . 11207 1 125 . 1 1 17 17 LEU HA H 1 4.774 0.030 . 1 . . . . 17 LEU HA . 11207 1 126 . 1 1 17 17 LEU HB2 H 1 1.437 0.030 . 1 . . . . 17 LEU HB2 . 11207 1 127 . 1 1 17 17 LEU HB3 H 1 1.437 0.030 . 1 . . . . 17 LEU HB3 . 11207 1 128 . 1 1 17 17 LEU HD11 H 1 0.700 0.030 . 1 . . . . 17 LEU HD1 . 11207 1 129 . 1 1 17 17 LEU HD12 H 1 0.700 0.030 . 1 . . . . 17 LEU HD1 . 11207 1 130 . 1 1 17 17 LEU HD13 H 1 0.700 0.030 . 1 . . . . 17 LEU HD1 . 11207 1 131 . 1 1 17 17 LEU HD21 H 1 0.777 0.030 . 1 . . . . 17 LEU HD2 . 11207 1 132 . 1 1 17 17 LEU HD22 H 1 0.777 0.030 . 1 . . . . 17 LEU HD2 . 11207 1 133 . 1 1 17 17 LEU HD23 H 1 0.777 0.030 . 1 . . . . 17 LEU HD2 . 11207 1 134 . 1 1 17 17 LEU HG H 1 1.420 0.030 . 1 . . . . 17 LEU HG . 11207 1 135 . 1 1 17 17 LEU C C 13 175.504 0.300 . 1 . . . . 17 LEU C . 11207 1 136 . 1 1 17 17 LEU CA C 13 54.546 0.300 . 1 . . . . 17 LEU CA . 11207 1 137 . 1 1 17 17 LEU CB C 13 45.233 0.300 . 1 . . . . 17 LEU CB . 11207 1 138 . 1 1 17 17 LEU CD1 C 13 25.738 0.300 . 2 . . . . 17 LEU CD1 . 11207 1 139 . 1 1 17 17 LEU CD2 C 13 24.932 0.300 . 2 . . . . 17 LEU CD2 . 11207 1 140 . 1 1 17 17 LEU CG C 13 27.423 0.300 . 1 . . . . 17 LEU CG . 11207 1 141 . 1 1 17 17 LEU N N 15 124.528 0.300 . 1 . . . . 17 LEU N . 11207 1 142 . 1 1 18 18 THR H H 1 8.499 0.030 . 1 . . . . 18 THR H . 11207 1 143 . 1 1 18 18 THR HA H 1 5.125 0.030 . 1 . . . . 18 THR HA . 11207 1 144 . 1 1 18 18 THR HB H 1 3.984 0.030 . 1 . . . . 18 THR HB . 11207 1 145 . 1 1 18 18 THR HG21 H 1 1.041 0.030 . 1 . . . . 18 THR HG2 . 11207 1 146 . 1 1 18 18 THR HG22 H 1 1.041 0.030 . 1 . . . . 18 THR HG2 . 11207 1 147 . 1 1 18 18 THR HG23 H 1 1.041 0.030 . 1 . . . . 18 THR HG2 . 11207 1 148 . 1 1 18 18 THR C C 13 173.736 0.300 . 1 . . . . 18 THR C . 11207 1 149 . 1 1 18 18 THR CA C 13 61.718 0.300 . 1 . . . . 18 THR CA . 11207 1 150 . 1 1 18 18 THR CB C 13 69.521 0.300 . 1 . . . . 18 THR CB . 11207 1 151 . 1 1 18 18 THR CG2 C 13 21.418 0.300 . 1 . . . . 18 THR CG2 . 11207 1 152 . 1 1 18 18 THR N N 15 117.138 0.300 . 1 . . . . 18 THR N . 11207 1 153 . 1 1 19 19 LEU H H 1 9.099 0.030 . 1 . . . . 19 LEU H . 11207 1 154 . 1 1 19 19 LEU HA H 1 4.842 0.030 . 1 . . . . 19 LEU HA . 11207 1 155 . 1 1 19 19 LEU HB2 H 1 1.482 0.030 . 2 . . . . 19 LEU HB2 . 11207 1 156 . 1 1 19 19 LEU HB3 H 1 1.340 0.030 . 2 . . . . 19 LEU HB3 . 11207 1 157 . 1 1 19 19 LEU HD11 H 1 0.864 0.030 . 1 . . . . 19 LEU HD1 . 11207 1 158 . 1 1 19 19 LEU HD12 H 1 0.864 0.030 . 1 . . . . 19 LEU HD1 . 11207 1 159 . 1 1 19 19 LEU HD13 H 1 0.864 0.030 . 1 . . . . 19 LEU HD1 . 11207 1 160 . 1 1 19 19 LEU HD21 H 1 0.685 0.030 . 1 . . . . 19 LEU HD2 . 11207 1 161 . 1 1 19 19 LEU HD22 H 1 0.685 0.030 . 1 . . . . 19 LEU HD2 . 11207 1 162 . 1 1 19 19 LEU HD23 H 1 0.685 0.030 . 1 . . . . 19 LEU HD2 . 11207 1 163 . 1 1 19 19 LEU HG H 1 1.462 0.030 . 1 . . . . 19 LEU HG . 11207 1 164 . 1 1 19 19 LEU C C 13 175.389 0.300 . 1 . . . . 19 LEU C . 11207 1 165 . 1 1 19 19 LEU CA C 13 53.329 0.300 . 1 . . . . 19 LEU CA . 11207 1 166 . 1 1 19 19 LEU CB C 13 45.037 0.300 . 1 . . . . 19 LEU CB . 11207 1 167 . 1 1 19 19 LEU CD1 C 13 23.779 0.300 . 2 . . . . 19 LEU CD1 . 11207 1 168 . 1 1 19 19 LEU CD2 C 13 26.709 0.300 . 2 . . . . 19 LEU CD2 . 11207 1 169 . 1 1 19 19 LEU CG C 13 26.966 0.300 . 1 . . . . 19 LEU CG . 11207 1 170 . 1 1 19 19 LEU N N 15 127.889 0.300 . 1 . . . . 19 LEU N . 11207 1 171 . 1 1 20 20 THR H H 1 8.627 0.030 . 1 . . . . 20 THR H . 11207 1 172 . 1 1 20 20 THR HA H 1 5.046 0.030 . 1 . . . . 20 THR HA . 11207 1 173 . 1 1 20 20 THR HB H 1 3.864 0.030 . 1 . . . . 20 THR HB . 11207 1 174 . 1 1 20 20 THR HG21 H 1 0.951 0.030 . 1 . . . . 20 THR HG2 . 11207 1 175 . 1 1 20 20 THR HG22 H 1 0.951 0.030 . 1 . . . . 20 THR HG2 . 11207 1 176 . 1 1 20 20 THR HG23 H 1 0.951 0.030 . 1 . . . . 20 THR HG2 . 11207 1 177 . 1 1 20 20 THR C C 13 173.132 0.300 . 1 . . . . 20 THR C . 11207 1 178 . 1 1 20 20 THR CA C 13 61.933 0.300 . 1 . . . . 20 THR CA . 11207 1 179 . 1 1 20 20 THR CB C 13 70.311 0.300 . 1 . . . . 20 THR CB . 11207 1 180 . 1 1 20 20 THR CG2 C 13 21.291 0.300 . 1 . . . . 20 THR CG2 . 11207 1 181 . 1 1 20 20 THR N N 15 117.950 0.300 . 1 . . . . 20 THR N . 11207 1 182 . 1 1 21 21 ILE H H 1 9.209 0.030 . 1 . . . . 21 ILE H . 11207 1 183 . 1 1 21 21 ILE HA H 1 4.083 0.030 . 1 . . . . 21 ILE HA . 11207 1 184 . 1 1 21 21 ILE HB H 1 1.676 0.030 . 1 . . . . 21 ILE HB . 11207 1 185 . 1 1 21 21 ILE HD11 H 1 0.832 0.030 . 1 . . . . 21 ILE HD1 . 11207 1 186 . 1 1 21 21 ILE HD12 H 1 0.832 0.030 . 1 . . . . 21 ILE HD1 . 11207 1 187 . 1 1 21 21 ILE HD13 H 1 0.832 0.030 . 1 . . . . 21 ILE HD1 . 11207 1 188 . 1 1 21 21 ILE HG12 H 1 1.493 0.030 . 2 . . . . 21 ILE HG12 . 11207 1 189 . 1 1 21 21 ILE HG13 H 1 0.823 0.030 . 2 . . . . 21 ILE HG13 . 11207 1 190 . 1 1 21 21 ILE HG21 H 1 0.721 0.030 . 1 . . . . 21 ILE HG2 . 11207 1 191 . 1 1 21 21 ILE HG22 H 1 0.721 0.030 . 1 . . . . 21 ILE HG2 . 11207 1 192 . 1 1 21 21 ILE HG23 H 1 0.721 0.030 . 1 . . . . 21 ILE HG2 . 11207 1 193 . 1 1 21 21 ILE C C 13 174.489 0.300 . 1 . . . . 21 ILE C . 11207 1 194 . 1 1 21 21 ILE CA C 13 60.423 0.300 . 1 . . . . 21 ILE CA . 11207 1 195 . 1 1 21 21 ILE CB C 13 40.308 0.300 . 1 . . . . 21 ILE CB . 11207 1 196 . 1 1 21 21 ILE CD1 C 13 15.091 0.300 . 1 . . . . 21 ILE CD1 . 11207 1 197 . 1 1 21 21 ILE CG1 C 13 28.344 0.300 . 1 . . . . 21 ILE CG1 . 11207 1 198 . 1 1 21 21 ILE CG2 C 13 19.897 0.300 . 1 . . . . 21 ILE CG2 . 11207 1 199 . 1 1 21 21 ILE N N 15 127.008 0.300 . 1 . . . . 21 ILE N . 11207 1 200 . 1 1 22 22 LEU H H 1 8.412 0.030 . 1 . . . . 22 LEU H . 11207 1 201 . 1 1 22 22 LEU HA H 1 4.961 0.030 . 1 . . . . 22 LEU HA . 11207 1 202 . 1 1 22 22 LEU HB2 H 1 1.700 0.030 . 2 . . . . 22 LEU HB2 . 11207 1 203 . 1 1 22 22 LEU HB3 H 1 1.476 0.030 . 2 . . . . 22 LEU HB3 . 11207 1 204 . 1 1 22 22 LEU HD11 H 1 0.913 0.030 . 1 . . . . 22 LEU HD1 . 11207 1 205 . 1 1 22 22 LEU HD12 H 1 0.913 0.030 . 1 . . . . 22 LEU HD1 . 11207 1 206 . 1 1 22 22 LEU HD13 H 1 0.913 0.030 . 1 . . . . 22 LEU HD1 . 11207 1 207 . 1 1 22 22 LEU HD21 H 1 0.833 0.030 . 1 . . . . 22 LEU HD2 . 11207 1 208 . 1 1 22 22 LEU HD22 H 1 0.833 0.030 . 1 . . . . 22 LEU HD2 . 11207 1 209 . 1 1 22 22 LEU HD23 H 1 0.833 0.030 . 1 . . . . 22 LEU HD2 . 11207 1 210 . 1 1 22 22 LEU HG H 1 1.613 0.030 . 1 . . . . 22 LEU HG . 11207 1 211 . 1 1 22 22 LEU C C 13 175.828 0.300 . 1 . . . . 22 LEU C . 11207 1 212 . 1 1 22 22 LEU CA C 13 53.588 0.300 . 1 . . . . 22 LEU CA . 11207 1 213 . 1 1 22 22 LEU CB C 13 41.310 0.300 . 1 . . . . 22 LEU CB . 11207 1 214 . 1 1 22 22 LEU CD1 C 13 24.871 0.300 . 2 . . . . 22 LEU CD1 . 11207 1 215 . 1 1 22 22 LEU CD2 C 13 23.444 0.300 . 2 . . . . 22 LEU CD2 . 11207 1 216 . 1 1 22 22 LEU CG C 13 27.134 0.300 . 1 . . . . 22 LEU CG . 11207 1 217 . 1 1 22 22 LEU N N 15 128.570 0.300 . 1 . . . . 22 LEU N . 11207 1 218 . 1 1 23 23 ARG H H 1 8.600 0.030 . 1 . . . . 23 ARG H . 11207 1 219 . 1 1 23 23 ARG HA H 1 3.999 0.030 . 1 . . . . 23 ARG HA . 11207 1 220 . 1 1 23 23 ARG HB2 H 1 1.687 0.030 . 1 . . . . 23 ARG HB2 . 11207 1 221 . 1 1 23 23 ARG HB3 H 1 1.687 0.030 . 1 . . . . 23 ARG HB3 . 11207 1 222 . 1 1 23 23 ARG HD2 H 1 3.196 0.030 . 2 . . . . 23 ARG HD2 . 11207 1 223 . 1 1 23 23 ARG HD3 H 1 3.046 0.030 . 2 . . . . 23 ARG HD3 . 11207 1 224 . 1 1 23 23 ARG HG2 H 1 1.533 0.030 . 2 . . . . 23 ARG HG2 . 11207 1 225 . 1 1 23 23 ARG HG3 H 1 1.439 0.030 . 2 . . . . 23 ARG HG3 . 11207 1 226 . 1 1 23 23 ARG C C 13 175.524 0.300 . 1 . . . . 23 ARG C . 11207 1 227 . 1 1 23 23 ARG CA C 13 57.045 0.300 . 1 . . . . 23 ARG CA . 11207 1 228 . 1 1 23 23 ARG CB C 13 31.589 0.300 . 1 . . . . 23 ARG CB . 11207 1 229 . 1 1 23 23 ARG CD C 13 43.337 0.300 . 1 . . . . 23 ARG CD . 11207 1 230 . 1 1 23 23 ARG CG C 13 27.221 0.300 . 1 . . . . 23 ARG CG . 11207 1 231 . 1 1 23 23 ARG N N 15 123.828 0.300 . 1 . . . . 23 ARG N . 11207 1 232 . 1 1 24 24 GLN H H 1 7.971 0.030 . 1 . . . . 24 GLN H . 11207 1 233 . 1 1 24 24 GLN HA H 1 4.648 0.030 . 1 . . . . 24 GLN HA . 11207 1 234 . 1 1 24 24 GLN HB2 H 1 2.296 0.030 . 2 . . . . 24 GLN HB2 . 11207 1 235 . 1 1 24 24 GLN HB3 H 1 1.993 0.030 . 2 . . . . 24 GLN HB3 . 11207 1 236 . 1 1 24 24 GLN HE21 H 1 7.498 0.030 . 2 . . . . 24 GLN HE21 . 11207 1 237 . 1 1 24 24 GLN HE22 H 1 6.944 0.030 . 2 . . . . 24 GLN HE22 . 11207 1 238 . 1 1 24 24 GLN HG2 H 1 2.414 0.030 . 1 . . . . 24 GLN HG2 . 11207 1 239 . 1 1 24 24 GLN HG3 H 1 2.414 0.030 . 1 . . . . 24 GLN HG3 . 11207 1 240 . 1 1 24 24 GLN C C 13 176.283 0.300 . 1 . . . . 24 GLN C . 11207 1 241 . 1 1 24 24 GLN CA C 13 55.219 0.300 . 1 . . . . 24 GLN CA . 11207 1 242 . 1 1 24 24 GLN CB C 13 30.926 0.300 . 1 . . . . 24 GLN CB . 11207 1 243 . 1 1 24 24 GLN CG C 13 33.838 0.300 . 1 . . . . 24 GLN CG . 11207 1 244 . 1 1 24 24 GLN N N 15 122.182 0.300 . 1 . . . . 24 GLN N . 11207 1 245 . 1 1 24 24 GLN NE2 N 15 112.320 0.300 . 1 . . . . 24 GLN NE2 . 11207 1 246 . 1 1 25 25 THR H H 1 8.075 0.030 . 1 . . . . 25 THR H . 11207 1 247 . 1 1 25 25 THR HA H 1 4.158 0.030 . 1 . . . . 25 THR HA . 11207 1 248 . 1 1 25 25 THR HB H 1 4.232 0.030 . 1 . . . . 25 THR HB . 11207 1 249 . 1 1 25 25 THR HG21 H 1 1.241 0.030 . 1 . . . . 25 THR HG2 . 11207 1 250 . 1 1 25 25 THR HG22 H 1 1.241 0.030 . 1 . . . . 25 THR HG2 . 11207 1 251 . 1 1 25 25 THR HG23 H 1 1.241 0.030 . 1 . . . . 25 THR HG2 . 11207 1 252 . 1 1 25 25 THR CA C 13 63.546 0.300 . 1 . . . . 25 THR CA . 11207 1 253 . 1 1 25 25 THR CB C 13 69.104 0.300 . 1 . . . . 25 THR CB . 11207 1 254 . 1 1 25 25 THR CG2 C 13 21.804 0.300 . 1 . . . . 25 THR CG2 . 11207 1 255 . 1 1 25 25 THR N N 15 116.919 0.300 . 1 . . . . 25 THR N . 11207 1 256 . 1 1 26 26 GLY HA2 H 1 4.115 0.030 . 2 . . . . 26 GLY HA2 . 11207 1 257 . 1 1 26 26 GLY HA3 H 1 3.973 0.030 . 2 . . . . 26 GLY HA3 . 11207 1 258 . 1 1 26 26 GLY C C 13 174.533 0.300 . 1 . . . . 26 GLY C . 11207 1 259 . 1 1 26 26 GLY CA C 13 45.271 0.300 . 1 . . . . 26 GLY CA . 11207 1 260 . 1 1 27 27 GLY H H 1 8.212 0.030 . 1 . . . . 27 GLY H . 11207 1 261 . 1 1 27 27 GLY HA2 H 1 4.315 0.030 . 2 . . . . 27 GLY HA2 . 11207 1 262 . 1 1 27 27 GLY HA3 H 1 4.127 0.030 . 2 . . . . 27 GLY HA3 . 11207 1 263 . 1 1 27 27 GLY C C 13 174.116 0.300 . 1 . . . . 27 GLY C . 11207 1 264 . 1 1 27 27 GLY CA C 13 44.665 0.300 . 1 . . . . 27 GLY CA . 11207 1 265 . 1 1 27 27 GLY N N 15 108.286 0.300 . 1 . . . . 27 GLY N . 11207 1 266 . 1 1 28 28 LEU HA H 1 4.205 0.030 . 1 . . . . 28 LEU HA . 11207 1 267 . 1 1 28 28 LEU HB2 H 1 1.825 0.030 . 2 . . . . 28 LEU HB2 . 11207 1 268 . 1 1 28 28 LEU HB3 H 1 1.404 0.030 . 2 . . . . 28 LEU HB3 . 11207 1 269 . 1 1 28 28 LEU HD11 H 1 0.892 0.030 . 1 . . . . 28 LEU HD1 . 11207 1 270 . 1 1 28 28 LEU HD12 H 1 0.892 0.030 . 1 . . . . 28 LEU HD1 . 11207 1 271 . 1 1 28 28 LEU HD13 H 1 0.892 0.030 . 1 . . . . 28 LEU HD1 . 11207 1 272 . 1 1 28 28 LEU HD21 H 1 0.726 0.030 . 1 . . . . 28 LEU HD2 . 11207 1 273 . 1 1 28 28 LEU HD22 H 1 0.726 0.030 . 1 . . . . 28 LEU HD2 . 11207 1 274 . 1 1 28 28 LEU HD23 H 1 0.726 0.030 . 1 . . . . 28 LEU HD2 . 11207 1 275 . 1 1 28 28 LEU HG H 1 1.782 0.030 . 1 . . . . 28 LEU HG . 11207 1 276 . 1 1 28 28 LEU C C 13 177.132 0.300 . 1 . . . . 28 LEU C . 11207 1 277 . 1 1 28 28 LEU CA C 13 55.466 0.300 . 1 . . . . 28 LEU CA . 11207 1 278 . 1 1 28 28 LEU CB C 13 43.862 0.300 . 1 . . . . 28 LEU CB . 11207 1 279 . 1 1 28 28 LEU CD1 C 13 26.730 0.300 . 2 . . . . 28 LEU CD1 . 11207 1 280 . 1 1 28 28 LEU CD2 C 13 23.071 0.300 . 2 . . . . 28 LEU CD2 . 11207 1 281 . 1 1 28 28 LEU CG C 13 27.020 0.300 . 1 . . . . 28 LEU CG . 11207 1 282 . 1 1 29 29 GLY H H 1 8.732 0.030 . 1 . . . . 29 GLY H . 11207 1 283 . 1 1 29 29 GLY HA2 H 1 4.076 0.030 . 2 . . . . 29 GLY HA2 . 11207 1 284 . 1 1 29 29 GLY HA3 H 1 3.984 0.030 . 2 . . . . 29 GLY HA3 . 11207 1 285 . 1 1 29 29 GLY C C 13 175.723 0.300 . 1 . . . . 29 GLY C . 11207 1 286 . 1 1 29 29 GLY CA C 13 46.867 0.300 . 1 . . . . 29 GLY CA . 11207 1 287 . 1 1 29 29 GLY N N 15 106.076 0.300 . 1 . . . . 29 GLY N . 11207 1 288 . 1 1 30 30 ILE H H 1 7.288 0.030 . 1 . . . . 30 ILE H . 11207 1 289 . 1 1 30 30 ILE HA H 1 5.317 0.030 . 1 . . . . 30 ILE HA . 11207 1 290 . 1 1 30 30 ILE HB H 1 1.828 0.030 . 1 . . . . 30 ILE HB . 11207 1 291 . 1 1 30 30 ILE HD11 H 1 0.603 0.030 . 1 . . . . 30 ILE HD1 . 11207 1 292 . 1 1 30 30 ILE HD12 H 1 0.603 0.030 . 1 . . . . 30 ILE HD1 . 11207 1 293 . 1 1 30 30 ILE HD13 H 1 0.603 0.030 . 1 . . . . 30 ILE HD1 . 11207 1 294 . 1 1 30 30 ILE HG12 H 1 1.275 0.030 . 2 . . . . 30 ILE HG12 . 11207 1 295 . 1 1 30 30 ILE HG13 H 1 0.799 0.030 . 2 . . . . 30 ILE HG13 . 11207 1 296 . 1 1 30 30 ILE HG21 H 1 0.821 0.030 . 1 . . . . 30 ILE HG2 . 11207 1 297 . 1 1 30 30 ILE HG22 H 1 0.821 0.030 . 1 . . . . 30 ILE HG2 . 11207 1 298 . 1 1 30 30 ILE HG23 H 1 0.821 0.030 . 1 . . . . 30 ILE HG2 . 11207 1 299 . 1 1 30 30 ILE C C 13 175.653 0.300 . 1 . . . . 30 ILE C . 11207 1 300 . 1 1 30 30 ILE CA C 13 59.075 0.300 . 1 . . . . 30 ILE CA . 11207 1 301 . 1 1 30 30 ILE CB C 13 43.180 0.300 . 1 . . . . 30 ILE CB . 11207 1 302 . 1 1 30 30 ILE CD1 C 13 13.807 0.300 . 1 . . . . 30 ILE CD1 . 11207 1 303 . 1 1 30 30 ILE CG1 C 13 25.292 0.300 . 1 . . . . 30 ILE CG1 . 11207 1 304 . 1 1 30 30 ILE CG2 C 13 19.537 0.300 . 1 . . . . 30 ILE CG2 . 11207 1 305 . 1 1 30 30 ILE N N 15 111.226 0.300 . 1 . . . . 30 ILE N . 11207 1 306 . 1 1 31 31 SER H H 1 8.210 0.030 . 1 . . . . 31 SER H . 11207 1 307 . 1 1 31 31 SER HA H 1 4.864 0.030 . 1 . . . . 31 SER HA . 11207 1 308 . 1 1 31 31 SER HB2 H 1 3.923 0.030 . 2 . . . . 31 SER HB2 . 11207 1 309 . 1 1 31 31 SER HB3 H 1 3.535 0.030 . 2 . . . . 31 SER HB3 . 11207 1 310 . 1 1 31 31 SER C C 13 172.762 0.300 . 1 . . . . 31 SER C . 11207 1 311 . 1 1 31 31 SER CA C 13 57.732 0.300 . 1 . . . . 31 SER CA . 11207 1 312 . 1 1 31 31 SER CB C 13 65.248 0.300 . 1 . . . . 31 SER CB . 11207 1 313 . 1 1 31 31 SER N N 15 116.099 0.300 . 1 . . . . 31 SER N . 11207 1 314 . 1 1 32 32 ILE H H 1 8.575 0.030 . 1 . . . . 32 ILE H . 11207 1 315 . 1 1 32 32 ILE HA H 1 5.468 0.030 . 1 . . . . 32 ILE HA . 11207 1 316 . 1 1 32 32 ILE HB H 1 1.626 0.030 . 1 . . . . 32 ILE HB . 11207 1 317 . 1 1 32 32 ILE HD11 H 1 0.325 0.030 . 1 . . . . 32 ILE HD1 . 11207 1 318 . 1 1 32 32 ILE HD12 H 1 0.325 0.030 . 1 . . . . 32 ILE HD1 . 11207 1 319 . 1 1 32 32 ILE HD13 H 1 0.325 0.030 . 1 . . . . 32 ILE HD1 . 11207 1 320 . 1 1 32 32 ILE HG12 H 1 1.331 0.030 . 2 . . . . 32 ILE HG12 . 11207 1 321 . 1 1 32 32 ILE HG13 H 1 0.855 0.030 . 2 . . . . 32 ILE HG13 . 11207 1 322 . 1 1 32 32 ILE HG21 H 1 0.593 0.030 . 1 . . . . 32 ILE HG2 . 11207 1 323 . 1 1 32 32 ILE HG22 H 1 0.593 0.030 . 1 . . . . 32 ILE HG2 . 11207 1 324 . 1 1 32 32 ILE HG23 H 1 0.593 0.030 . 1 . . . . 32 ILE HG2 . 11207 1 325 . 1 1 32 32 ILE C C 13 175.038 0.300 . 1 . . . . 32 ILE C . 11207 1 326 . 1 1 32 32 ILE CA C 13 58.908 0.300 . 1 . . . . 32 ILE CA . 11207 1 327 . 1 1 32 32 ILE CB C 13 42.530 0.300 . 1 . . . . 32 ILE CB . 11207 1 328 . 1 1 32 32 ILE CD1 C 13 14.709 0.300 . 1 . . . . 32 ILE CD1 . 11207 1 329 . 1 1 32 32 ILE CG1 C 13 25.252 0.300 . 1 . . . . 32 ILE CG1 . 11207 1 330 . 1 1 32 32 ILE CG2 C 13 18.708 0.300 . 1 . . . . 32 ILE CG2 . 11207 1 331 . 1 1 32 32 ILE N N 15 115.795 0.300 . 1 . . . . 32 ILE N . 11207 1 332 . 1 1 33 33 ALA H H 1 9.290 0.030 . 1 . . . . 33 ALA H . 11207 1 333 . 1 1 33 33 ALA HA H 1 4.923 0.030 . 1 . . . . 33 ALA HA . 11207 1 334 . 1 1 33 33 ALA HB1 H 1 1.505 0.030 . 1 . . . . 33 ALA HB . 11207 1 335 . 1 1 33 33 ALA HB2 H 1 1.505 0.030 . 1 . . . . 33 ALA HB . 11207 1 336 . 1 1 33 33 ALA HB3 H 1 1.505 0.030 . 1 . . . . 33 ALA HB . 11207 1 337 . 1 1 33 33 ALA C C 13 175.714 0.300 . 1 . . . . 33 ALA C . 11207 1 338 . 1 1 33 33 ALA CA C 13 51.015 0.300 . 1 . . . . 33 ALA CA . 11207 1 339 . 1 1 33 33 ALA CB C 13 24.240 0.300 . 1 . . . . 33 ALA CB . 11207 1 340 . 1 1 33 33 ALA N N 15 124.091 0.300 . 1 . . . . 33 ALA N . 11207 1 341 . 1 1 34 34 GLY H H 1 8.768 0.030 . 1 . . . . 34 GLY H . 11207 1 342 . 1 1 34 34 GLY HA2 H 1 5.328 0.030 . 2 . . . . 34 GLY HA2 . 11207 1 343 . 1 1 34 34 GLY HA3 H 1 4.000 0.030 . 2 . . . . 34 GLY HA3 . 11207 1 344 . 1 1 34 34 GLY C C 13 174.352 0.300 . 1 . . . . 34 GLY C . 11207 1 345 . 1 1 34 34 GLY CA C 13 44.298 0.300 . 1 . . . . 34 GLY CA . 11207 1 346 . 1 1 34 34 GLY N N 15 107.535 0.300 . 1 . . . . 34 GLY N . 11207 1 347 . 1 1 35 35 GLY H H 1 6.851 0.030 . 1 . . . . 35 GLY H . 11207 1 348 . 1 1 35 35 GLY HA2 H 1 4.566 0.030 . 2 . . . . 35 GLY HA2 . 11207 1 349 . 1 1 35 35 GLY HA3 H 1 3.684 0.030 . 2 . . . . 35 GLY HA3 . 11207 1 350 . 1 1 35 35 GLY C C 13 174.722 0.300 . 1 . . . . 35 GLY C . 11207 1 351 . 1 1 35 35 GLY CA C 13 43.981 0.300 . 1 . . . . 35 GLY CA . 11207 1 352 . 1 1 35 35 GLY N N 15 106.621 0.300 . 1 . . . . 35 GLY N . 11207 1 353 . 1 1 36 36 LYS H H 1 8.277 0.030 . 1 . . . . 36 LYS H . 11207 1 354 . 1 1 36 36 LYS HA H 1 4.164 0.030 . 1 . . . . 36 LYS HA . 11207 1 355 . 1 1 36 36 LYS HB2 H 1 1.526 0.030 . 1 . . . . 36 LYS HB2 . 11207 1 356 . 1 1 36 36 LYS HB3 H 1 1.526 0.030 . 1 . . . . 36 LYS HB3 . 11207 1 357 . 1 1 36 36 LYS HD2 H 1 1.744 0.030 . 2 . . . . 36 LYS HD2 . 11207 1 358 . 1 1 36 36 LYS HD3 H 1 1.674 0.030 . 2 . . . . 36 LYS HD3 . 11207 1 359 . 1 1 36 36 LYS HE2 H 1 3.013 0.030 . 1 . . . . 36 LYS HE2 . 11207 1 360 . 1 1 36 36 LYS HE3 H 1 3.013 0.030 . 1 . . . . 36 LYS HE3 . 11207 1 361 . 1 1 36 36 LYS HG2 H 1 1.331 0.030 . 2 . . . . 36 LYS HG2 . 11207 1 362 . 1 1 36 36 LYS HG3 H 1 1.482 0.030 . 2 . . . . 36 LYS HG3 . 11207 1 363 . 1 1 36 36 LYS C C 13 178.697 0.300 . 1 . . . . 36 LYS C . 11207 1 364 . 1 1 36 36 LYS CA C 13 58.315 0.300 . 1 . . . . 36 LYS CA . 11207 1 365 . 1 1 36 36 LYS CB C 13 32.203 0.300 . 1 . . . . 36 LYS CB . 11207 1 366 . 1 1 36 36 LYS CD C 13 29.294 0.300 . 1 . . . . 36 LYS CD . 11207 1 367 . 1 1 36 36 LYS CE C 13 42.029 0.300 . 1 . . . . 36 LYS CE . 11207 1 368 . 1 1 36 36 LYS CG C 13 24.279 0.300 . 1 . . . . 36 LYS CG . 11207 1 369 . 1 1 36 36 LYS N N 15 123.232 0.300 . 1 . . . . 36 LYS N . 11207 1 370 . 1 1 37 37 GLY H H 1 9.391 0.030 . 1 . . . . 37 GLY H . 11207 1 371 . 1 1 37 37 GLY HA2 H 1 4.364 0.030 . 2 . . . . 37 GLY HA2 . 11207 1 372 . 1 1 37 37 GLY HA3 H 1 3.841 0.030 . 2 . . . . 37 GLY HA3 . 11207 1 373 . 1 1 37 37 GLY C C 13 174.386 0.300 . 1 . . . . 37 GLY C . 11207 1 374 . 1 1 37 37 GLY CA C 13 45.778 0.300 . 1 . . . . 37 GLY CA . 11207 1 375 . 1 1 37 37 GLY N N 15 117.296 0.300 . 1 . . . . 37 GLY N . 11207 1 376 . 1 1 38 38 SER H H 1 7.971 0.030 . 1 . . . . 38 SER H . 11207 1 377 . 1 1 38 38 SER HA H 1 4.782 0.030 . 1 . . . . 38 SER HA . 11207 1 378 . 1 1 38 38 SER HB2 H 1 3.804 0.030 . 2 . . . . 38 SER HB2 . 11207 1 379 . 1 1 38 38 SER HB3 H 1 3.662 0.030 . 2 . . . . 38 SER HB3 . 11207 1 380 . 1 1 38 38 SER C C 13 173.933 0.300 . 1 . . . . 38 SER C . 11207 1 381 . 1 1 38 38 SER CA C 13 57.353 0.300 . 1 . . . . 38 SER CA . 11207 1 382 . 1 1 38 38 SER CB C 13 64.693 0.300 . 1 . . . . 38 SER CB . 11207 1 383 . 1 1 38 38 SER N N 15 116.157 0.300 . 1 . . . . 38 SER N . 11207 1 384 . 1 1 39 39 THR H H 1 8.442 0.030 . 1 . . . . 39 THR H . 11207 1 385 . 1 1 39 39 THR HA H 1 4.384 0.030 . 1 . . . . 39 THR HA . 11207 1 386 . 1 1 39 39 THR HB H 1 3.985 0.030 . 1 . . . . 39 THR HB . 11207 1 387 . 1 1 39 39 THR HG21 H 1 1.285 0.030 . 1 . . . . 39 THR HG2 . 11207 1 388 . 1 1 39 39 THR HG22 H 1 1.285 0.030 . 1 . . . . 39 THR HG2 . 11207 1 389 . 1 1 39 39 THR HG23 H 1 1.285 0.030 . 1 . . . . 39 THR HG2 . 11207 1 390 . 1 1 39 39 THR C C 13 172.738 0.300 . 1 . . . . 39 THR C . 11207 1 391 . 1 1 39 39 THR CA C 13 61.633 0.300 . 1 . . . . 39 THR CA . 11207 1 392 . 1 1 39 39 THR CB C 13 69.843 0.300 . 1 . . . . 39 THR CB . 11207 1 393 . 1 1 39 39 THR CG2 C 13 21.543 0.300 . 1 . . . . 39 THR CG2 . 11207 1 394 . 1 1 39 39 THR N N 15 121.207 0.300 . 1 . . . . 39 THR N . 11207 1 395 . 1 1 40 40 PRO HA H 1 4.685 0.030 . 1 . . . . 40 PRO HA . 11207 1 396 . 1 1 40 40 PRO HB2 H 1 2.318 0.030 . 2 . . . . 40 PRO HB2 . 11207 1 397 . 1 1 40 40 PRO HB3 H 1 1.659 0.030 . 2 . . . . 40 PRO HB3 . 11207 1 398 . 1 1 40 40 PRO HD2 H 1 3.676 0.030 . 2 . . . . 40 PRO HD2 . 11207 1 399 . 1 1 40 40 PRO HD3 H 1 4.112 0.030 . 2 . . . . 40 PRO HD3 . 11207 1 400 . 1 1 40 40 PRO HG2 H 1 1.912 0.030 . 2 . . . . 40 PRO HG2 . 11207 1 401 . 1 1 40 40 PRO HG3 H 1 2.085 0.030 . 2 . . . . 40 PRO HG3 . 11207 1 402 . 1 1 40 40 PRO C C 13 178.123 0.300 . 1 . . . . 40 PRO C . 11207 1 403 . 1 1 40 40 PRO CA C 13 63.086 0.300 . 1 . . . . 40 PRO CA . 11207 1 404 . 1 1 40 40 PRO CB C 13 32.776 0.300 . 1 . . . . 40 PRO CB . 11207 1 405 . 1 1 40 40 PRO CD C 13 51.584 0.300 . 1 . . . . 40 PRO CD . 11207 1 406 . 1 1 40 40 PRO CG C 13 27.920 0.300 . 1 . . . . 40 PRO CG . 11207 1 407 . 1 1 41 41 TYR H H 1 10.013 0.030 . 1 . . . . 41 TYR H . 11207 1 408 . 1 1 41 41 TYR HA H 1 4.112 0.030 . 1 . . . . 41 TYR HA . 11207 1 409 . 1 1 41 41 TYR HB2 H 1 2.859 0.030 . 2 . . . . 41 TYR HB2 . 11207 1 410 . 1 1 41 41 TYR HB3 H 1 2.415 0.030 . 2 . . . . 41 TYR HB3 . 11207 1 411 . 1 1 41 41 TYR HD1 H 1 6.281 0.030 . 1 . . . . 41 TYR HD1 . 11207 1 412 . 1 1 41 41 TYR HD2 H 1 6.281 0.030 . 1 . . . . 41 TYR HD2 . 11207 1 413 . 1 1 41 41 TYR HE1 H 1 6.555 0.030 . 1 . . . . 41 TYR HE1 . 11207 1 414 . 1 1 41 41 TYR HE2 H 1 6.555 0.030 . 1 . . . . 41 TYR HE2 . 11207 1 415 . 1 1 41 41 TYR C C 13 175.117 0.300 . 1 . . . . 41 TYR C . 11207 1 416 . 1 1 41 41 TYR CA C 13 59.844 0.300 . 1 . . . . 41 TYR CA . 11207 1 417 . 1 1 41 41 TYR CB C 13 39.691 0.300 . 1 . . . . 41 TYR CB . 11207 1 418 . 1 1 41 41 TYR CD1 C 13 133.205 0.300 . 1 . . . . 41 TYR CD1 . 11207 1 419 . 1 1 41 41 TYR CD2 C 13 133.205 0.300 . 1 . . . . 41 TYR CD2 . 11207 1 420 . 1 1 41 41 TYR CE1 C 13 116.829 0.300 . 1 . . . . 41 TYR CE1 . 11207 1 421 . 1 1 41 41 TYR CE2 C 13 116.829 0.300 . 1 . . . . 41 TYR CE2 . 11207 1 422 . 1 1 41 41 TYR N N 15 124.942 0.300 . 1 . . . . 41 TYR N . 11207 1 423 . 1 1 42 42 LYS H H 1 6.744 0.030 . 1 . . . . 42 LYS H . 11207 1 424 . 1 1 42 42 LYS HA H 1 4.180 0.030 . 1 . . . . 42 LYS HA . 11207 1 425 . 1 1 42 42 LYS HB2 H 1 1.356 0.030 . 2 . . . . 42 LYS HB2 . 11207 1 426 . 1 1 42 42 LYS HB3 H 1 1.250 0.030 . 2 . . . . 42 LYS HB3 . 11207 1 427 . 1 1 42 42 LYS HD2 H 1 1.580 0.030 . 1 . . . . 42 LYS HD2 . 11207 1 428 . 1 1 42 42 LYS HD3 H 1 1.580 0.030 . 1 . . . . 42 LYS HD3 . 11207 1 429 . 1 1 42 42 LYS HE2 H 1 2.929 0.030 . 1 . . . . 42 LYS HE2 . 11207 1 430 . 1 1 42 42 LYS HE3 H 1 2.929 0.030 . 1 . . . . 42 LYS HE3 . 11207 1 431 . 1 1 42 42 LYS HG2 H 1 1.131 0.030 . 2 . . . . 42 LYS HG2 . 11207 1 432 . 1 1 42 42 LYS HG3 H 1 1.011 0.030 . 2 . . . . 42 LYS HG3 . 11207 1 433 . 1 1 42 42 LYS C C 13 174.647 0.300 . 1 . . . . 42 LYS C . 11207 1 434 . 1 1 42 42 LYS CA C 13 54.374 0.300 . 1 . . . . 42 LYS CA . 11207 1 435 . 1 1 42 42 LYS CB C 13 35.251 0.300 . 1 . . . . 42 LYS CB . 11207 1 436 . 1 1 42 42 LYS CD C 13 29.701 0.300 . 1 . . . . 42 LYS CD . 11207 1 437 . 1 1 42 42 LYS CE C 13 42.044 0.300 . 1 . . . . 42 LYS CE . 11207 1 438 . 1 1 42 42 LYS CG C 13 23.774 0.300 . 1 . . . . 42 LYS CG . 11207 1 439 . 1 1 42 42 LYS N N 15 113.274 0.300 . 1 . . . . 42 LYS N . 11207 1 440 . 1 1 43 43 GLY H H 1 8.516 0.030 . 1 . . . . 43 GLY H . 11207 1 441 . 1 1 43 43 GLY HA2 H 1 3.818 0.030 . 2 . . . . 43 GLY HA2 . 11207 1 442 . 1 1 43 43 GLY HA3 H 1 3.684 0.030 . 2 . . . . 43 GLY HA3 . 11207 1 443 . 1 1 43 43 GLY C C 13 173.400 0.300 . 1 . . . . 43 GLY C . 11207 1 444 . 1 1 43 43 GLY CA C 13 47.119 0.300 . 1 . . . . 43 GLY CA . 11207 1 445 . 1 1 43 43 GLY N N 15 110.912 0.300 . 1 . . . . 43 GLY N . 11207 1 446 . 1 1 44 44 ASP H H 1 8.435 0.030 . 1 . . . . 44 ASP H . 11207 1 447 . 1 1 44 44 ASP HA H 1 4.715 0.030 . 1 . . . . 44 ASP HA . 11207 1 448 . 1 1 44 44 ASP HB2 H 1 2.732 0.030 . 2 . . . . 44 ASP HB2 . 11207 1 449 . 1 1 44 44 ASP HB3 H 1 2.704 0.030 . 2 . . . . 44 ASP HB3 . 11207 1 450 . 1 1 44 44 ASP C C 13 175.904 0.300 . 1 . . . . 44 ASP C . 11207 1 451 . 1 1 44 44 ASP CA C 13 52.819 0.300 . 1 . . . . 44 ASP CA . 11207 1 452 . 1 1 44 44 ASP CB C 13 41.003 0.300 . 1 . . . . 44 ASP CB . 11207 1 453 . 1 1 44 44 ASP N N 15 123.357 0.300 . 1 . . . . 44 ASP N . 11207 1 454 . 1 1 45 45 ASP H H 1 8.070 0.030 . 1 . . . . 45 ASP H . 11207 1 455 . 1 1 45 45 ASP HA H 1 4.580 0.030 . 1 . . . . 45 ASP HA . 11207 1 456 . 1 1 45 45 ASP HB2 H 1 3.313 0.030 . 2 . . . . 45 ASP HB2 . 11207 1 457 . 1 1 45 45 ASP HB3 H 1 2.639 0.030 . 2 . . . . 45 ASP HB3 . 11207 1 458 . 1 1 45 45 ASP C C 13 176.427 0.300 . 1 . . . . 45 ASP C . 11207 1 459 . 1 1 45 45 ASP CA C 13 54.694 0.300 . 1 . . . . 45 ASP CA . 11207 1 460 . 1 1 45 45 ASP CB C 13 43.013 0.300 . 1 . . . . 45 ASP CB . 11207 1 461 . 1 1 45 45 ASP N N 15 122.459 0.300 . 1 . . . . 45 ASP N . 11207 1 462 . 1 1 46 46 GLU H H 1 8.722 0.030 . 1 . . . . 46 GLU H . 11207 1 463 . 1 1 46 46 GLU HA H 1 4.775 0.030 . 1 . . . . 46 GLU HA . 11207 1 464 . 1 1 46 46 GLU HB2 H 1 2.327 0.030 . 2 . . . . 46 GLU HB2 . 11207 1 465 . 1 1 46 46 GLU HB3 H 1 1.918 0.030 . 2 . . . . 46 GLU HB3 . 11207 1 466 . 1 1 46 46 GLU HG2 H 1 2.355 0.030 . 1 . . . . 46 GLU HG2 . 11207 1 467 . 1 1 46 46 GLU HG3 H 1 2.355 0.030 . 1 . . . . 46 GLU HG3 . 11207 1 468 . 1 1 46 46 GLU C C 13 177.579 0.300 . 1 . . . . 46 GLU C . 11207 1 469 . 1 1 46 46 GLU CA C 13 56.544 0.300 . 1 . . . . 46 GLU CA . 11207 1 470 . 1 1 46 46 GLU CB C 13 30.000 0.300 . 1 . . . . 46 GLU CB . 11207 1 471 . 1 1 46 46 GLU CG C 13 37.052 0.300 . 1 . . . . 46 GLU CG . 11207 1 472 . 1 1 46 46 GLU N N 15 125.586 0.300 . 1 . . . . 46 GLU N . 11207 1 473 . 1 1 47 47 GLY H H 1 9.574 0.030 . 1 . . . . 47 GLY H . 11207 1 474 . 1 1 47 47 GLY HA2 H 1 4.170 0.030 . 2 . . . . 47 GLY HA2 . 11207 1 475 . 1 1 47 47 GLY HA3 H 1 3.396 0.030 . 2 . . . . 47 GLY HA3 . 11207 1 476 . 1 1 47 47 GLY C C 13 171.423 0.300 . 1 . . . . 47 GLY C . 11207 1 477 . 1 1 47 47 GLY CA C 13 44.925 0.300 . 1 . . . . 47 GLY CA . 11207 1 478 . 1 1 47 47 GLY N N 15 108.943 0.300 . 1 . . . . 47 GLY N . 11207 1 479 . 1 1 48 48 ILE H H 1 8.577 0.030 . 1 . . . . 48 ILE H . 11207 1 480 . 1 1 48 48 ILE HA H 1 4.655 0.030 . 1 . . . . 48 ILE HA . 11207 1 481 . 1 1 48 48 ILE HB H 1 1.881 0.030 . 1 . . . . 48 ILE HB . 11207 1 482 . 1 1 48 48 ILE HD11 H 1 0.592 0.030 . 1 . . . . 48 ILE HD1 . 11207 1 483 . 1 1 48 48 ILE HD12 H 1 0.592 0.030 . 1 . . . . 48 ILE HD1 . 11207 1 484 . 1 1 48 48 ILE HD13 H 1 0.592 0.030 . 1 . . . . 48 ILE HD1 . 11207 1 485 . 1 1 48 48 ILE HG12 H 1 1.388 0.030 . 2 . . . . 48 ILE HG12 . 11207 1 486 . 1 1 48 48 ILE HG13 H 1 1.300 0.030 . 2 . . . . 48 ILE HG13 . 11207 1 487 . 1 1 48 48 ILE HG21 H 1 0.643 0.030 . 1 . . . . 48 ILE HG2 . 11207 1 488 . 1 1 48 48 ILE HG22 H 1 0.643 0.030 . 1 . . . . 48 ILE HG2 . 11207 1 489 . 1 1 48 48 ILE HG23 H 1 0.643 0.030 . 1 . . . . 48 ILE HG2 . 11207 1 490 . 1 1 48 48 ILE C C 13 174.618 0.300 . 1 . . . . 48 ILE C . 11207 1 491 . 1 1 48 48 ILE CA C 13 58.897 0.300 . 1 . . . . 48 ILE CA . 11207 1 492 . 1 1 48 48 ILE CB C 13 36.567 0.300 . 1 . . . . 48 ILE CB . 11207 1 493 . 1 1 48 48 ILE CD1 C 13 11.420 0.300 . 1 . . . . 48 ILE CD1 . 11207 1 494 . 1 1 48 48 ILE CG1 C 13 27.200 0.300 . 1 . . . . 48 ILE CG1 . 11207 1 495 . 1 1 48 48 ILE CG2 C 13 19.201 0.300 . 1 . . . . 48 ILE CG2 . 11207 1 496 . 1 1 48 48 ILE N N 15 120.649 0.300 . 1 . . . . 48 ILE N . 11207 1 497 . 1 1 49 49 PHE H H 1 8.954 0.030 . 1 . . . . 49 PHE H . 11207 1 498 . 1 1 49 49 PHE HA H 1 5.240 0.030 . 1 . . . . 49 PHE HA . 11207 1 499 . 1 1 49 49 PHE HB2 H 1 1.960 0.030 . 2 . . . . 49 PHE HB2 . 11207 1 500 . 1 1 49 49 PHE HB3 H 1 1.765 0.030 . 2 . . . . 49 PHE HB3 . 11207 1 501 . 1 1 49 49 PHE HD1 H 1 7.170 0.030 . 1 . . . . 49 PHE HD1 . 11207 1 502 . 1 1 49 49 PHE HD2 H 1 7.170 0.030 . 1 . . . . 49 PHE HD2 . 11207 1 503 . 1 1 49 49 PHE HE1 H 1 7.367 0.030 . 1 . . . . 49 PHE HE1 . 11207 1 504 . 1 1 49 49 PHE HE2 H 1 7.367 0.030 . 1 . . . . 49 PHE HE2 . 11207 1 505 . 1 1 49 49 PHE HZ H 1 7.374 0.030 . 1 . . . . 49 PHE HZ . 11207 1 506 . 1 1 49 49 PHE C C 13 175.493 0.300 . 1 . . . . 49 PHE C . 11207 1 507 . 1 1 49 49 PHE CA C 13 55.280 0.300 . 1 . . . . 49 PHE CA . 11207 1 508 . 1 1 49 49 PHE CB C 13 43.974 0.300 . 1 . . . . 49 PHE CB . 11207 1 509 . 1 1 49 49 PHE CD1 C 13 133.200 0.300 . 1 . . . . 49 PHE CD1 . 11207 1 510 . 1 1 49 49 PHE CD2 C 13 133.200 0.300 . 1 . . . . 49 PHE CD2 . 11207 1 511 . 1 1 49 49 PHE CE1 C 13 130.806 0.300 . 1 . . . . 49 PHE CE1 . 11207 1 512 . 1 1 49 49 PHE CE2 C 13 130.806 0.300 . 1 . . . . 49 PHE CE2 . 11207 1 513 . 1 1 49 49 PHE CZ C 13 129.595 0.300 . 1 . . . . 49 PHE CZ . 11207 1 514 . 1 1 49 49 PHE N N 15 124.108 0.300 . 1 . . . . 49 PHE N . 11207 1 515 . 1 1 50 50 ILE H H 1 8.847 0.030 . 1 . . . . 50 ILE H . 11207 1 516 . 1 1 50 50 ILE HA H 1 4.327 0.030 . 1 . . . . 50 ILE HA . 11207 1 517 . 1 1 50 50 ILE HB H 1 2.251 0.030 . 1 . . . . 50 ILE HB . 11207 1 518 . 1 1 50 50 ILE HD11 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11207 1 519 . 1 1 50 50 ILE HD12 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11207 1 520 . 1 1 50 50 ILE HD13 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11207 1 521 . 1 1 50 50 ILE HG12 H 1 1.411 0.030 . 2 . . . . 50 ILE HG12 . 11207 1 522 . 1 1 50 50 ILE HG13 H 1 1.303 0.030 . 2 . . . . 50 ILE HG13 . 11207 1 523 . 1 1 50 50 ILE HG21 H 1 0.736 0.030 . 1 . . . . 50 ILE HG2 . 11207 1 524 . 1 1 50 50 ILE HG22 H 1 0.736 0.030 . 1 . . . . 50 ILE HG2 . 11207 1 525 . 1 1 50 50 ILE HG23 H 1 0.736 0.030 . 1 . . . . 50 ILE HG2 . 11207 1 526 . 1 1 50 50 ILE C C 13 175.291 0.300 . 1 . . . . 50 ILE C . 11207 1 527 . 1 1 50 50 ILE CA C 13 59.510 0.300 . 1 . . . . 50 ILE CA . 11207 1 528 . 1 1 50 50 ILE CB C 13 35.558 0.300 . 1 . . . . 50 ILE CB . 11207 1 529 . 1 1 50 50 ILE CD1 C 13 11.342 0.300 . 1 . . . . 50 ILE CD1 . 11207 1 530 . 1 1 50 50 ILE CG1 C 13 26.561 0.300 . 1 . . . . 50 ILE CG1 . 11207 1 531 . 1 1 50 50 ILE CG2 C 13 19.143 0.300 . 1 . . . . 50 ILE CG2 . 11207 1 532 . 1 1 50 50 ILE N N 15 119.840 0.300 . 1 . . . . 50 ILE N . 11207 1 533 . 1 1 51 51 SER H H 1 8.867 0.030 . 1 . . . . 51 SER H . 11207 1 534 . 1 1 51 51 SER HA H 1 4.540 0.030 . 1 . . . . 51 SER HA . 11207 1 535 . 1 1 51 51 SER HB2 H 1 4.075 0.030 . 2 . . . . 51 SER HB2 . 11207 1 536 . 1 1 51 51 SER HB3 H 1 3.312 0.030 . 2 . . . . 51 SER HB3 . 11207 1 537 . 1 1 51 51 SER C C 13 175.317 0.300 . 1 . . . . 51 SER C . 11207 1 538 . 1 1 51 51 SER CA C 13 57.952 0.300 . 1 . . . . 51 SER CA . 11207 1 539 . 1 1 51 51 SER CB C 13 64.991 0.300 . 1 . . . . 51 SER CB . 11207 1 540 . 1 1 51 51 SER N N 15 123.821 0.300 . 1 . . . . 51 SER N . 11207 1 541 . 1 1 52 52 ARG H H 1 7.483 0.030 . 1 . . . . 52 ARG H . 11207 1 542 . 1 1 52 52 ARG HA H 1 4.381 0.030 . 1 . . . . 52 ARG HA . 11207 1 543 . 1 1 52 52 ARG HB2 H 1 1.765 0.030 . 2 . . . . 52 ARG HB2 . 11207 1 544 . 1 1 52 52 ARG HB3 H 1 1.581 0.030 . 2 . . . . 52 ARG HB3 . 11207 1 545 . 1 1 52 52 ARG HD2 H 1 3.196 0.030 . 2 . . . . 52 ARG HD2 . 11207 1 546 . 1 1 52 52 ARG HD3 H 1 3.109 0.030 . 2 . . . . 52 ARG HD3 . 11207 1 547 . 1 1 52 52 ARG HG2 H 1 1.627 0.030 . 2 . . . . 52 ARG HG2 . 11207 1 548 . 1 1 52 52 ARG HG3 H 1 1.435 0.030 . 2 . . . . 52 ARG HG3 . 11207 1 549 . 1 1 52 52 ARG C C 13 173.601 0.300 . 1 . . . . 52 ARG C . 11207 1 550 . 1 1 52 52 ARG CA C 13 56.648 0.300 . 1 . . . . 52 ARG CA . 11207 1 551 . 1 1 52 52 ARG CB C 13 34.222 0.300 . 1 . . . . 52 ARG CB . 11207 1 552 . 1 1 52 52 ARG CD C 13 43.221 0.300 . 1 . . . . 52 ARG CD . 11207 1 553 . 1 1 52 52 ARG CG C 13 27.348 0.300 . 1 . . . . 52 ARG CG . 11207 1 554 . 1 1 52 52 ARG N N 15 122.736 0.300 . 1 . . . . 52 ARG N . 11207 1 555 . 1 1 53 53 VAL H H 1 8.526 0.030 . 1 . . . . 53 VAL H . 11207 1 556 . 1 1 53 53 VAL HA H 1 4.566 0.030 . 1 . . . . 53 VAL HA . 11207 1 557 . 1 1 53 53 VAL HB H 1 1.852 0.030 . 1 . . . . 53 VAL HB . 11207 1 558 . 1 1 53 53 VAL HG11 H 1 0.773 0.030 . 1 . . . . 53 VAL HG1 . 11207 1 559 . 1 1 53 53 VAL HG12 H 1 0.773 0.030 . 1 . . . . 53 VAL HG1 . 11207 1 560 . 1 1 53 53 VAL HG13 H 1 0.773 0.030 . 1 . . . . 53 VAL HG1 . 11207 1 561 . 1 1 53 53 VAL HG21 H 1 0.659 0.030 . 1 . . . . 53 VAL HG2 . 11207 1 562 . 1 1 53 53 VAL HG22 H 1 0.659 0.030 . 1 . . . . 53 VAL HG2 . 11207 1 563 . 1 1 53 53 VAL HG23 H 1 0.659 0.030 . 1 . . . . 53 VAL HG2 . 11207 1 564 . 1 1 53 53 VAL C C 13 175.541 0.300 . 1 . . . . 53 VAL C . 11207 1 565 . 1 1 53 53 VAL CA C 13 60.997 0.300 . 1 . . . . 53 VAL CA . 11207 1 566 . 1 1 53 53 VAL CB C 13 34.986 0.300 . 1 . . . . 53 VAL CB . 11207 1 567 . 1 1 53 53 VAL CG1 C 13 21.560 0.300 . 2 . . . . 53 VAL CG1 . 11207 1 568 . 1 1 53 53 VAL CG2 C 13 22.445 0.300 . 2 . . . . 53 VAL CG2 . 11207 1 569 . 1 1 53 53 VAL N N 15 123.148 0.300 . 1 . . . . 53 VAL N . 11207 1 570 . 1 1 54 54 SER H H 1 8.453 0.030 . 1 . . . . 54 SER H . 11207 1 571 . 1 1 54 54 SER HA H 1 4.375 0.030 . 1 . . . . 54 SER HA . 11207 1 572 . 1 1 54 54 SER HB2 H 1 3.936 0.030 . 2 . . . . 54 SER HB2 . 11207 1 573 . 1 1 54 54 SER HB3 H 1 3.811 0.030 . 2 . . . . 54 SER HB3 . 11207 1 574 . 1 1 54 54 SER C C 13 176.330 0.300 . 1 . . . . 54 SER C . 11207 1 575 . 1 1 54 54 SER CA C 13 58.711 0.300 . 1 . . . . 54 SER CA . 11207 1 576 . 1 1 54 54 SER CB C 13 62.968 0.300 . 1 . . . . 54 SER CB . 11207 1 577 . 1 1 54 54 SER N N 15 122.647 0.300 . 1 . . . . 54 SER N . 11207 1 578 . 1 1 55 55 GLU H H 1 9.488 0.030 . 1 . . . . 55 GLU H . 11207 1 579 . 1 1 55 55 GLU HA H 1 3.946 0.030 . 1 . . . . 55 GLU HA . 11207 1 580 . 1 1 55 55 GLU HB2 H 1 2.064 0.030 . 1 . . . . 55 GLU HB2 . 11207 1 581 . 1 1 55 55 GLU HB3 H 1 2.064 0.030 . 1 . . . . 55 GLU HB3 . 11207 1 582 . 1 1 55 55 GLU HG2 H 1 2.392 0.030 . 1 . . . . 55 GLU HG2 . 11207 1 583 . 1 1 55 55 GLU HG3 H 1 2.392 0.030 . 1 . . . . 55 GLU HG3 . 11207 1 584 . 1 1 55 55 GLU C C 13 176.935 0.300 . 1 . . . . 55 GLU C . 11207 1 585 . 1 1 55 55 GLU CA C 13 59.511 0.300 . 1 . . . . 55 GLU CA . 11207 1 586 . 1 1 55 55 GLU CB C 13 29.494 0.300 . 1 . . . . 55 GLU CB . 11207 1 587 . 1 1 55 55 GLU CG C 13 36.564 0.300 . 1 . . . . 55 GLU CG . 11207 1 588 . 1 1 55 55 GLU N N 15 129.598 0.300 . 1 . . . . 55 GLU N . 11207 1 589 . 1 1 56 56 GLU H H 1 8.823 0.030 . 1 . . . . 56 GLU H . 11207 1 590 . 1 1 56 56 GLU HA H 1 4.268 0.030 . 1 . . . . 56 GLU HA . 11207 1 591 . 1 1 56 56 GLU HB2 H 1 2.246 0.030 . 2 . . . . 56 GLU HB2 . 11207 1 592 . 1 1 56 56 GLU HB3 H 1 2.026 0.030 . 2 . . . . 56 GLU HB3 . 11207 1 593 . 1 1 56 56 GLU HG2 H 1 2.277 0.030 . 2 . . . . 56 GLU HG2 . 11207 1 594 . 1 1 56 56 GLU HG3 H 1 2.181 0.030 . 2 . . . . 56 GLU HG3 . 11207 1 595 . 1 1 56 56 GLU C C 13 176.204 0.300 . 1 . . . . 56 GLU C . 11207 1 596 . 1 1 56 56 GLU CA C 13 56.544 0.300 . 1 . . . . 56 GLU CA . 11207 1 597 . 1 1 56 56 GLU CB C 13 28.833 0.300 . 1 . . . . 56 GLU CB . 11207 1 598 . 1 1 56 56 GLU CG C 13 36.343 0.300 . 1 . . . . 56 GLU CG . 11207 1 599 . 1 1 56 56 GLU N N 15 116.357 0.300 . 1 . . . . 56 GLU N . 11207 1 600 . 1 1 57 57 GLY H H 1 7.553 0.030 . 1 . . . . 57 GLY H . 11207 1 601 . 1 1 57 57 GLY HA2 H 1 4.472 0.030 . 2 . . . . 57 GLY HA2 . 11207 1 602 . 1 1 57 57 GLY HA3 H 1 3.928 0.030 . 2 . . . . 57 GLY HA3 . 11207 1 603 . 1 1 57 57 GLY C C 13 172.404 0.300 . 1 . . . . 57 GLY C . 11207 1 604 . 1 1 57 57 GLY CA C 13 45.384 0.300 . 1 . . . . 57 GLY CA . 11207 1 605 . 1 1 57 57 GLY N N 15 107.078 0.300 . 1 . . . . 57 GLY N . 11207 1 606 . 1 1 58 58 PRO HA H 1 4.240 0.030 . 1 . . . . 58 PRO HA . 11207 1 607 . 1 1 58 58 PRO HB2 H 1 2.508 0.030 . 2 . . . . 58 PRO HB2 . 11207 1 608 . 1 1 58 58 PRO HB3 H 1 1.950 0.030 . 2 . . . . 58 PRO HB3 . 11207 1 609 . 1 1 58 58 PRO HD2 H 1 3.377 0.030 . 2 . . . . 58 PRO HD2 . 11207 1 610 . 1 1 58 58 PRO HD3 H 1 3.692 0.030 . 2 . . . . 58 PRO HD3 . 11207 1 611 . 1 1 58 58 PRO HG2 H 1 2.087 0.030 . 2 . . . . 58 PRO HG2 . 11207 1 612 . 1 1 58 58 PRO HG3 H 1 2.250 0.030 . 2 . . . . 58 PRO HG3 . 11207 1 613 . 1 1 58 58 PRO C C 13 179.531 0.300 . 1 . . . . 58 PRO C . 11207 1 614 . 1 1 58 58 PRO CA C 13 65.084 0.300 . 1 . . . . 58 PRO CA . 11207 1 615 . 1 1 58 58 PRO CB C 13 32.540 0.300 . 1 . . . . 58 PRO CB . 11207 1 616 . 1 1 58 58 PRO CD C 13 49.610 0.300 . 1 . . . . 58 PRO CD . 11207 1 617 . 1 1 58 58 PRO CG C 13 27.969 0.300 . 1 . . . . 58 PRO CG . 11207 1 618 . 1 1 59 59 ALA H H 1 7.677 0.030 . 1 . . . . 59 ALA H . 11207 1 619 . 1 1 59 59 ALA HA H 1 4.043 0.030 . 1 . . . . 59 ALA HA . 11207 1 620 . 1 1 59 59 ALA HB1 H 1 1.349 0.030 . 1 . . . . 59 ALA HB . 11207 1 621 . 1 1 59 59 ALA HB2 H 1 1.349 0.030 . 1 . . . . 59 ALA HB . 11207 1 622 . 1 1 59 59 ALA HB3 H 1 1.349 0.030 . 1 . . . . 59 ALA HB . 11207 1 623 . 1 1 59 59 ALA C C 13 178.752 0.300 . 1 . . . . 59 ALA C . 11207 1 624 . 1 1 59 59 ALA CA C 13 55.215 0.300 . 1 . . . . 59 ALA CA . 11207 1 625 . 1 1 59 59 ALA CB C 13 18.950 0.300 . 1 . . . . 59 ALA CB . 11207 1 626 . 1 1 59 59 ALA N N 15 122.210 0.300 . 1 . . . . 59 ALA N . 11207 1 627 . 1 1 60 60 ALA H H 1 8.337 0.030 . 1 . . . . 60 ALA H . 11207 1 628 . 1 1 60 60 ALA HA H 1 4.035 0.030 . 1 . . . . 60 ALA HA . 11207 1 629 . 1 1 60 60 ALA HB1 H 1 1.519 0.030 . 1 . . . . 60 ALA HB . 11207 1 630 . 1 1 60 60 ALA HB2 H 1 1.519 0.030 . 1 . . . . 60 ALA HB . 11207 1 631 . 1 1 60 60 ALA HB3 H 1 1.519 0.030 . 1 . . . . 60 ALA HB . 11207 1 632 . 1 1 60 60 ALA C C 13 182.314 0.300 . 1 . . . . 60 ALA C . 11207 1 633 . 1 1 60 60 ALA CA C 13 55.189 0.300 . 1 . . . . 60 ALA CA . 11207 1 634 . 1 1 60 60 ALA CB C 13 18.178 0.300 . 1 . . . . 60 ALA CB . 11207 1 635 . 1 1 60 60 ALA N N 15 123.432 0.300 . 1 . . . . 60 ALA N . 11207 1 636 . 1 1 61 61 ARG H H 1 7.754 0.030 . 1 . . . . 61 ARG H . 11207 1 637 . 1 1 61 61 ARG HA H 1 4.065 0.030 . 1 . . . . 61 ARG HA . 11207 1 638 . 1 1 61 61 ARG HB2 H 1 1.907 0.030 . 1 . . . . 61 ARG HB2 . 11207 1 639 . 1 1 61 61 ARG HB3 H 1 1.907 0.030 . 1 . . . . 61 ARG HB3 . 11207 1 640 . 1 1 61 61 ARG HD2 H 1 3.264 0.030 . 2 . . . . 61 ARG HD2 . 11207 1 641 . 1 1 61 61 ARG HD3 H 1 3.172 0.030 . 2 . . . . 61 ARG HD3 . 11207 1 642 . 1 1 61 61 ARG HG2 H 1 1.672 0.030 . 2 . . . . 61 ARG HG2 . 11207 1 643 . 1 1 61 61 ARG HG3 H 1 1.766 0.030 . 2 . . . . 61 ARG HG3 . 11207 1 644 . 1 1 61 61 ARG C C 13 177.578 0.300 . 1 . . . . 61 ARG C . 11207 1 645 . 1 1 61 61 ARG CA C 13 58.834 0.300 . 1 . . . . 61 ARG CA . 11207 1 646 . 1 1 61 61 ARG CB C 13 30.205 0.300 . 1 . . . . 61 ARG CB . 11207 1 647 . 1 1 61 61 ARG CD C 13 43.429 0.300 . 1 . . . . 61 ARG CD . 11207 1 648 . 1 1 61 61 ARG CG C 13 28.054 0.300 . 1 . . . . 61 ARG CG . 11207 1 649 . 1 1 61 61 ARG N N 15 117.463 0.300 . 1 . . . . 61 ARG N . 11207 1 650 . 1 1 62 62 ALA H H 1 7.476 0.030 . 1 . . . . 62 ALA H . 11207 1 651 . 1 1 62 62 ALA HA H 1 4.416 0.030 . 1 . . . . 62 ALA HA . 11207 1 652 . 1 1 62 62 ALA HB1 H 1 1.556 0.030 . 1 . . . . 62 ALA HB . 11207 1 653 . 1 1 62 62 ALA HB2 H 1 1.556 0.030 . 1 . . . . 62 ALA HB . 11207 1 654 . 1 1 62 62 ALA HB3 H 1 1.556 0.030 . 1 . . . . 62 ALA HB . 11207 1 655 . 1 1 62 62 ALA C C 13 177.319 0.300 . 1 . . . . 62 ALA C . 11207 1 656 . 1 1 62 62 ALA CA C 13 52.648 0.300 . 1 . . . . 62 ALA CA . 11207 1 657 . 1 1 62 62 ALA CB C 13 20.965 0.300 . 1 . . . . 62 ALA CB . 11207 1 658 . 1 1 62 62 ALA N N 15 119.349 0.300 . 1 . . . . 62 ALA N . 11207 1 659 . 1 1 63 63 GLY H H 1 7.568 0.030 . 1 . . . . 63 GLY H . 11207 1 660 . 1 1 63 63 GLY HA2 H 1 4.338 0.030 . 2 . . . . 63 GLY HA2 . 11207 1 661 . 1 1 63 63 GLY HA3 H 1 3.718 0.030 . 2 . . . . 63 GLY HA3 . 11207 1 662 . 1 1 63 63 GLY C C 13 174.766 0.300 . 1 . . . . 63 GLY C . 11207 1 663 . 1 1 63 63 GLY CA C 13 45.124 0.300 . 1 . . . . 63 GLY CA . 11207 1 664 . 1 1 63 63 GLY N N 15 102.964 0.300 . 1 . . . . 63 GLY N . 11207 1 665 . 1 1 64 64 VAL H H 1 7.721 0.030 . 1 . . . . 64 VAL H . 11207 1 666 . 1 1 64 64 VAL HA H 1 3.416 0.030 . 1 . . . . 64 VAL HA . 11207 1 667 . 1 1 64 64 VAL HB H 1 1.564 0.030 . 1 . . . . 64 VAL HB . 11207 1 668 . 1 1 64 64 VAL HG11 H 1 0.900 0.030 . 1 . . . . 64 VAL HG1 . 11207 1 669 . 1 1 64 64 VAL HG12 H 1 0.900 0.030 . 1 . . . . 64 VAL HG1 . 11207 1 670 . 1 1 64 64 VAL HG13 H 1 0.900 0.030 . 1 . . . . 64 VAL HG1 . 11207 1 671 . 1 1 64 64 VAL HG21 H 1 0.903 0.030 . 1 . . . . 64 VAL HG2 . 11207 1 672 . 1 1 64 64 VAL HG22 H 1 0.903 0.030 . 1 . . . . 64 VAL HG2 . 11207 1 673 . 1 1 64 64 VAL HG23 H 1 0.903 0.030 . 1 . . . . 64 VAL HG2 . 11207 1 674 . 1 1 64 64 VAL C C 13 173.811 0.300 . 1 . . . . 64 VAL C . 11207 1 675 . 1 1 64 64 VAL CA C 13 63.597 0.300 . 1 . . . . 64 VAL CA . 11207 1 676 . 1 1 64 64 VAL CB C 13 31.847 0.300 . 1 . . . . 64 VAL CB . 11207 1 677 . 1 1 64 64 VAL CG1 C 13 23.421 0.300 . 2 . . . . 64 VAL CG1 . 11207 1 678 . 1 1 64 64 VAL CG2 C 13 23.055 0.300 . 2 . . . . 64 VAL CG2 . 11207 1 679 . 1 1 64 64 VAL N N 15 121.840 0.300 . 1 . . . . 64 VAL N . 11207 1 680 . 1 1 65 65 ARG H H 1 8.556 0.030 . 1 . . . . 65 ARG H . 11207 1 681 . 1 1 65 65 ARG HA H 1 4.674 0.030 . 1 . . . . 65 ARG HA . 11207 1 682 . 1 1 65 65 ARG HB2 H 1 1.765 0.030 . 2 . . . . 65 ARG HB2 . 11207 1 683 . 1 1 65 65 ARG HB3 H 1 1.655 0.030 . 2 . . . . 65 ARG HB3 . 11207 1 684 . 1 1 65 65 ARG HD2 H 1 3.085 0.030 . 2 . . . . 65 ARG HD2 . 11207 1 685 . 1 1 65 65 ARG HD3 H 1 2.926 0.030 . 2 . . . . 65 ARG HD3 . 11207 1 686 . 1 1 65 65 ARG HG2 H 1 1.569 0.030 . 1 . . . . 65 ARG HG2 . 11207 1 687 . 1 1 65 65 ARG HG3 H 1 1.569 0.030 . 1 . . . . 65 ARG HG3 . 11207 1 688 . 1 1 65 65 ARG C C 13 175.425 0.300 . 1 . . . . 65 ARG C . 11207 1 689 . 1 1 65 65 ARG CA C 13 54.368 0.300 . 1 . . . . 65 ARG CA . 11207 1 690 . 1 1 65 65 ARG CB C 13 34.461 0.300 . 1 . . . . 65 ARG CB . 11207 1 691 . 1 1 65 65 ARG CD C 13 44.143 0.300 . 1 . . . . 65 ARG CD . 11207 1 692 . 1 1 65 65 ARG CG C 13 27.094 0.300 . 1 . . . . 65 ARG CG . 11207 1 693 . 1 1 65 65 ARG N N 15 126.015 0.300 . 1 . . . . 65 ARG N . 11207 1 694 . 1 1 66 66 VAL H H 1 8.394 0.030 . 1 . . . . 66 VAL H . 11207 1 695 . 1 1 66 66 VAL HA H 1 3.341 0.030 . 1 . . . . 66 VAL HA . 11207 1 696 . 1 1 66 66 VAL HB H 1 1.874 0.030 . 1 . . . . 66 VAL HB . 11207 1 697 . 1 1 66 66 VAL HG11 H 1 0.996 0.030 . 1 . . . . 66 VAL HG1 . 11207 1 698 . 1 1 66 66 VAL HG12 H 1 0.996 0.030 . 1 . . . . 66 VAL HG1 . 11207 1 699 . 1 1 66 66 VAL HG13 H 1 0.996 0.030 . 1 . . . . 66 VAL HG1 . 11207 1 700 . 1 1 66 66 VAL HG21 H 1 0.967 0.030 . 1 . . . . 66 VAL HG2 . 11207 1 701 . 1 1 66 66 VAL HG22 H 1 0.967 0.030 . 1 . . . . 66 VAL HG2 . 11207 1 702 . 1 1 66 66 VAL HG23 H 1 0.967 0.030 . 1 . . . . 66 VAL HG2 . 11207 1 703 . 1 1 66 66 VAL C C 13 178.101 0.300 . 1 . . . . 66 VAL C . 11207 1 704 . 1 1 66 66 VAL CA C 13 65.095 0.300 . 1 . . . . 66 VAL CA . 11207 1 705 . 1 1 66 66 VAL CB C 13 31.424 0.300 . 1 . . . . 66 VAL CB . 11207 1 706 . 1 1 66 66 VAL CG1 C 13 23.983 0.300 . 2 . . . . 66 VAL CG1 . 11207 1 707 . 1 1 66 66 VAL CG2 C 13 21.565 0.300 . 2 . . . . 66 VAL CG2 . 11207 1 708 . 1 1 66 66 VAL N N 15 120.753 0.300 . 1 . . . . 66 VAL N . 11207 1 709 . 1 1 67 67 GLY H H 1 9.633 0.030 . 1 . . . . 67 GLY H . 11207 1 710 . 1 1 67 67 GLY HA2 H 1 4.642 0.030 . 2 . . . . 67 GLY HA2 . 11207 1 711 . 1 1 67 67 GLY HA3 H 1 3.610 0.030 . 2 . . . . 67 GLY HA3 . 11207 1 712 . 1 1 67 67 GLY C C 13 174.513 0.300 . 1 . . . . 67 GLY C . 11207 1 713 . 1 1 67 67 GLY CA C 13 45.066 0.300 . 1 . . . . 67 GLY CA . 11207 1 714 . 1 1 67 67 GLY N N 15 117.593 0.300 . 1 . . . . 67 GLY N . 11207 1 715 . 1 1 68 68 ASP H H 1 7.931 0.030 . 1 . . . . 68 ASP H . 11207 1 716 . 1 1 68 68 ASP HA H 1 4.656 0.030 . 1 . . . . 68 ASP HA . 11207 1 717 . 1 1 68 68 ASP HB2 H 1 2.701 0.030 . 2 . . . . 68 ASP HB2 . 11207 1 718 . 1 1 68 68 ASP HB3 H 1 2.261 0.030 . 2 . . . . 68 ASP HB3 . 11207 1 719 . 1 1 68 68 ASP C C 13 174.752 0.300 . 1 . . . . 68 ASP C . 11207 1 720 . 1 1 68 68 ASP CA C 13 56.013 0.300 . 1 . . . . 68 ASP CA . 11207 1 721 . 1 1 68 68 ASP CB C 13 40.783 0.300 . 1 . . . . 68 ASP CB . 11207 1 722 . 1 1 68 68 ASP N N 15 123.802 0.300 . 1 . . . . 68 ASP N . 11207 1 723 . 1 1 69 69 LYS H H 1 8.934 0.030 . 1 . . . . 69 LYS H . 11207 1 724 . 1 1 69 69 LYS HA H 1 4.244 0.030 . 1 . . . . 69 LYS HA . 11207 1 725 . 1 1 69 69 LYS HB2 H 1 2.097 0.030 . 2 . . . . 69 LYS HB2 . 11207 1 726 . 1 1 69 69 LYS HB3 H 1 1.628 0.030 . 2 . . . . 69 LYS HB3 . 11207 1 727 . 1 1 69 69 LYS HD2 H 1 1.432 0.030 . 2 . . . . 69 LYS HD2 . 11207 1 728 . 1 1 69 69 LYS HD3 H 1 1.400 0.030 . 2 . . . . 69 LYS HD3 . 11207 1 729 . 1 1 69 69 LYS HE2 H 1 2.625 0.030 . 1 . . . . 69 LYS HE2 . 11207 1 730 . 1 1 69 69 LYS HE3 H 1 2.625 0.030 . 1 . . . . 69 LYS HE3 . 11207 1 731 . 1 1 69 69 LYS HG2 H 1 0.748 0.030 . 2 . . . . 69 LYS HG2 . 11207 1 732 . 1 1 69 69 LYS HG3 H 1 0.200 0.030 . 2 . . . . 69 LYS HG3 . 11207 1 733 . 1 1 69 69 LYS C C 13 175.950 0.300 . 1 . . . . 69 LYS C . 11207 1 734 . 1 1 69 69 LYS CA C 13 55.077 0.300 . 1 . . . . 69 LYS CA . 11207 1 735 . 1 1 69 69 LYS CB C 13 35.321 0.300 . 1 . . . . 69 LYS CB . 11207 1 736 . 1 1 69 69 LYS CD C 13 30.153 0.300 . 1 . . . . 69 LYS CD . 11207 1 737 . 1 1 69 69 LYS CE C 13 41.971 0.300 . 1 . . . . 69 LYS CE . 11207 1 738 . 1 1 69 69 LYS CG C 13 24.871 0.300 . 1 . . . . 69 LYS CG . 11207 1 739 . 1 1 69 69 LYS N N 15 124.449 0.300 . 1 . . . . 69 LYS N . 11207 1 740 . 1 1 70 70 LEU H H 1 8.983 0.030 . 1 . . . . 70 LEU H . 11207 1 741 . 1 1 70 70 LEU HA H 1 4.247 0.030 . 1 . . . . 70 LEU HA . 11207 1 742 . 1 1 70 70 LEU HB2 H 1 1.377 0.030 . 2 . . . . 70 LEU HB2 . 11207 1 743 . 1 1 70 70 LEU HB3 H 1 1.101 0.030 . 2 . . . . 70 LEU HB3 . 11207 1 744 . 1 1 70 70 LEU HD11 H 1 0.737 0.030 . 1 . . . . 70 LEU HD1 . 11207 1 745 . 1 1 70 70 LEU HD12 H 1 0.737 0.030 . 1 . . . . 70 LEU HD1 . 11207 1 746 . 1 1 70 70 LEU HD13 H 1 0.737 0.030 . 1 . . . . 70 LEU HD1 . 11207 1 747 . 1 1 70 70 LEU HD21 H 1 0.592 0.030 . 1 . . . . 70 LEU HD2 . 11207 1 748 . 1 1 70 70 LEU HD22 H 1 0.592 0.030 . 1 . . . . 70 LEU HD2 . 11207 1 749 . 1 1 70 70 LEU HD23 H 1 0.592 0.030 . 1 . . . . 70 LEU HD2 . 11207 1 750 . 1 1 70 70 LEU HG H 1 1.316 0.030 . 1 . . . . 70 LEU HG . 11207 1 751 . 1 1 70 70 LEU C C 13 174.363 0.300 . 1 . . . . 70 LEU C . 11207 1 752 . 1 1 70 70 LEU CA C 13 55.197 0.300 . 1 . . . . 70 LEU CA . 11207 1 753 . 1 1 70 70 LEU CB C 13 42.740 0.300 . 1 . . . . 70 LEU CB . 11207 1 754 . 1 1 70 70 LEU CD1 C 13 24.573 0.300 . 2 . . . . 70 LEU CD1 . 11207 1 755 . 1 1 70 70 LEU CD2 C 13 25.285 0.300 . 2 . . . . 70 LEU CD2 . 11207 1 756 . 1 1 70 70 LEU CG C 13 27.344 0.300 . 1 . . . . 70 LEU CG . 11207 1 757 . 1 1 70 70 LEU N N 15 128.308 0.300 . 1 . . . . 70 LEU N . 11207 1 758 . 1 1 71 71 LEU H H 1 8.848 0.030 . 1 . . . . 71 LEU H . 11207 1 759 . 1 1 71 71 LEU HA H 1 4.376 0.030 . 1 . . . . 71 LEU HA . 11207 1 760 . 1 1 71 71 LEU HB2 H 1 1.449 0.030 . 1 . . . . 71 LEU HB2 . 11207 1 761 . 1 1 71 71 LEU HB3 H 1 1.449 0.030 . 1 . . . . 71 LEU HB3 . 11207 1 762 . 1 1 71 71 LEU HD11 H 1 0.816 0.030 . 1 . . . . 71 LEU HD1 . 11207 1 763 . 1 1 71 71 LEU HD12 H 1 0.816 0.030 . 1 . . . . 71 LEU HD1 . 11207 1 764 . 1 1 71 71 LEU HD13 H 1 0.816 0.030 . 1 . . . . 71 LEU HD1 . 11207 1 765 . 1 1 71 71 LEU HD21 H 1 0.643 0.030 . 1 . . . . 71 LEU HD2 . 11207 1 766 . 1 1 71 71 LEU HD22 H 1 0.643 0.030 . 1 . . . . 71 LEU HD2 . 11207 1 767 . 1 1 71 71 LEU HD23 H 1 0.643 0.030 . 1 . . . . 71 LEU HD2 . 11207 1 768 . 1 1 71 71 LEU HG H 1 1.652 0.030 . 1 . . . . 71 LEU HG . 11207 1 769 . 1 1 71 71 LEU C C 13 178.774 0.300 . 1 . . . . 71 LEU C . 11207 1 770 . 1 1 71 71 LEU CA C 13 55.533 0.300 . 1 . . . . 71 LEU CA . 11207 1 771 . 1 1 71 71 LEU CB C 13 42.831 0.300 . 1 . . . . 71 LEU CB . 11207 1 772 . 1 1 71 71 LEU CD1 C 13 25.831 0.300 . 2 . . . . 71 LEU CD1 . 11207 1 773 . 1 1 71 71 LEU CD2 C 13 21.804 0.300 . 2 . . . . 71 LEU CD2 . 11207 1 774 . 1 1 71 71 LEU CG C 13 26.776 0.300 . 1 . . . . 71 LEU CG . 11207 1 775 . 1 1 71 71 LEU N N 15 123.143 0.300 . 1 . . . . 71 LEU N . 11207 1 776 . 1 1 72 72 GLU H H 1 7.702 0.030 . 1 . . . . 72 GLU H . 11207 1 777 . 1 1 72 72 GLU HA H 1 5.117 0.030 . 1 . . . . 72 GLU HA . 11207 1 778 . 1 1 72 72 GLU HB2 H 1 1.945 0.030 . 2 . . . . 72 GLU HB2 . 11207 1 779 . 1 1 72 72 GLU HB3 H 1 1.683 0.030 . 2 . . . . 72 GLU HB3 . 11207 1 780 . 1 1 72 72 GLU HG2 H 1 1.872 0.030 . 1 . . . . 72 GLU HG2 . 11207 1 781 . 1 1 72 72 GLU HG3 H 1 1.872 0.030 . 1 . . . . 72 GLU HG3 . 11207 1 782 . 1 1 72 72 GLU C C 13 174.853 0.300 . 1 . . . . 72 GLU C . 11207 1 783 . 1 1 72 72 GLU CA C 13 55.319 0.300 . 1 . . . . 72 GLU CA . 11207 1 784 . 1 1 72 72 GLU CB C 13 35.140 0.300 . 1 . . . . 72 GLU CB . 11207 1 785 . 1 1 72 72 GLU CG C 13 36.451 0.300 . 1 . . . . 72 GLU CG . 11207 1 786 . 1 1 72 72 GLU N N 15 118.119 0.300 . 1 . . . . 72 GLU N . 11207 1 787 . 1 1 73 73 VAL H H 1 8.176 0.030 . 1 . . . . 73 VAL H . 11207 1 788 . 1 1 73 73 VAL HA H 1 4.730 0.030 . 1 . . . . 73 VAL HA . 11207 1 789 . 1 1 73 73 VAL HB H 1 1.743 0.030 . 1 . . . . 73 VAL HB . 11207 1 790 . 1 1 73 73 VAL HG11 H 1 0.722 0.030 . 1 . . . . 73 VAL HG1 . 11207 1 791 . 1 1 73 73 VAL HG12 H 1 0.722 0.030 . 1 . . . . 73 VAL HG1 . 11207 1 792 . 1 1 73 73 VAL HG13 H 1 0.722 0.030 . 1 . . . . 73 VAL HG1 . 11207 1 793 . 1 1 73 73 VAL HG21 H 1 0.788 0.030 . 1 . . . . 73 VAL HG2 . 11207 1 794 . 1 1 73 73 VAL HG22 H 1 0.788 0.030 . 1 . . . . 73 VAL HG2 . 11207 1 795 . 1 1 73 73 VAL HG23 H 1 0.788 0.030 . 1 . . . . 73 VAL HG2 . 11207 1 796 . 1 1 73 73 VAL C C 13 175.192 0.300 . 1 . . . . 73 VAL C . 11207 1 797 . 1 1 73 73 VAL CA C 13 60.856 0.300 . 1 . . . . 73 VAL CA . 11207 1 798 . 1 1 73 73 VAL CB C 13 35.140 0.300 . 1 . . . . 73 VAL CB . 11207 1 799 . 1 1 73 73 VAL CG1 C 13 21.179 0.300 . 2 . . . . 73 VAL CG1 . 11207 1 800 . 1 1 73 73 VAL CG2 C 13 22.975 0.300 . 2 . . . . 73 VAL CG2 . 11207 1 801 . 1 1 73 73 VAL N N 15 121.681 0.300 . 1 . . . . 73 VAL N . 11207 1 802 . 1 1 74 74 ASN H H 1 9.687 0.030 . 1 . . . . 74 ASN H . 11207 1 803 . 1 1 74 74 ASN HA H 1 4.493 0.030 . 1 . . . . 74 ASN HA . 11207 1 804 . 1 1 74 74 ASN HB2 H 1 3.262 0.030 . 2 . . . . 74 ASN HB2 . 11207 1 805 . 1 1 74 74 ASN HB3 H 1 2.754 0.030 . 2 . . . . 74 ASN HB3 . 11207 1 806 . 1 1 74 74 ASN HD21 H 1 6.937 0.030 . 2 . . . . 74 ASN HD21 . 11207 1 807 . 1 1 74 74 ASN HD22 H 1 7.979 0.030 . 2 . . . . 74 ASN HD22 . 11207 1 808 . 1 1 74 74 ASN C C 13 175.022 0.300 . 1 . . . . 74 ASN C . 11207 1 809 . 1 1 74 74 ASN CA C 13 54.242 0.300 . 1 . . . . 74 ASN CA . 11207 1 810 . 1 1 74 74 ASN CB C 13 37.108 0.300 . 1 . . . . 74 ASN CB . 11207 1 811 . 1 1 74 74 ASN N N 15 128.177 0.300 . 1 . . . . 74 ASN N . 11207 1 812 . 1 1 74 74 ASN ND2 N 15 111.950 0.300 . 1 . . . . 74 ASN ND2 . 11207 1 813 . 1 1 75 75 GLY H H 1 8.689 0.030 . 1 . . . . 75 GLY H . 11207 1 814 . 1 1 75 75 GLY HA2 H 1 4.059 0.030 . 2 . . . . 75 GLY HA2 . 11207 1 815 . 1 1 75 75 GLY HA3 H 1 3.681 0.030 . 2 . . . . 75 GLY HA3 . 11207 1 816 . 1 1 75 75 GLY C C 13 173.851 0.300 . 1 . . . . 75 GLY C . 11207 1 817 . 1 1 75 75 GLY CA C 13 45.525 0.300 . 1 . . . . 75 GLY CA . 11207 1 818 . 1 1 75 75 GLY N N 15 103.267 0.300 . 1 . . . . 75 GLY N . 11207 1 819 . 1 1 76 76 VAL H H 1 8.109 0.030 . 1 . . . . 76 VAL H . 11207 1 820 . 1 1 76 76 VAL HA H 1 3.998 0.030 . 1 . . . . 76 VAL HA . 11207 1 821 . 1 1 76 76 VAL HB H 1 2.213 0.030 . 1 . . . . 76 VAL HB . 11207 1 822 . 1 1 76 76 VAL HG11 H 1 0.937 0.030 . 1 . . . . 76 VAL HG1 . 11207 1 823 . 1 1 76 76 VAL HG12 H 1 0.937 0.030 . 1 . . . . 76 VAL HG1 . 11207 1 824 . 1 1 76 76 VAL HG13 H 1 0.937 0.030 . 1 . . . . 76 VAL HG1 . 11207 1 825 . 1 1 76 76 VAL HG21 H 1 0.834 0.030 . 1 . . . . 76 VAL HG2 . 11207 1 826 . 1 1 76 76 VAL HG22 H 1 0.834 0.030 . 1 . . . . 76 VAL HG2 . 11207 1 827 . 1 1 76 76 VAL HG23 H 1 0.834 0.030 . 1 . . . . 76 VAL HG2 . 11207 1 828 . 1 1 76 76 VAL C C 13 175.089 0.300 . 1 . . . . 76 VAL C . 11207 1 829 . 1 1 76 76 VAL CA C 13 62.172 0.300 . 1 . . . . 76 VAL CA . 11207 1 830 . 1 1 76 76 VAL CB C 13 32.085 0.300 . 1 . . . . 76 VAL CB . 11207 1 831 . 1 1 76 76 VAL CG1 C 13 21.088 0.300 . 2 . . . . 76 VAL CG1 . 11207 1 832 . 1 1 76 76 VAL CG2 C 13 20.825 0.300 . 2 . . . . 76 VAL CG2 . 11207 1 833 . 1 1 76 76 VAL N N 15 123.496 0.300 . 1 . . . . 76 VAL N . 11207 1 834 . 1 1 77 77 ALA H H 1 8.597 0.030 . 1 . . . . 77 ALA H . 11207 1 835 . 1 1 77 77 ALA HA H 1 4.418 0.030 . 1 . . . . 77 ALA HA . 11207 1 836 . 1 1 77 77 ALA HB1 H 1 1.533 0.030 . 1 . . . . 77 ALA HB . 11207 1 837 . 1 1 77 77 ALA HB2 H 1 1.533 0.030 . 1 . . . . 77 ALA HB . 11207 1 838 . 1 1 77 77 ALA HB3 H 1 1.533 0.030 . 1 . . . . 77 ALA HB . 11207 1 839 . 1 1 77 77 ALA C C 13 178.527 0.300 . 1 . . . . 77 ALA C . 11207 1 840 . 1 1 77 77 ALA CA C 13 52.799 0.300 . 1 . . . . 77 ALA CA . 11207 1 841 . 1 1 77 77 ALA CB C 13 19.201 0.300 . 1 . . . . 77 ALA CB . 11207 1 842 . 1 1 77 77 ALA N N 15 130.848 0.300 . 1 . . . . 77 ALA N . 11207 1 843 . 1 1 78 78 LEU H H 1 7.975 0.030 . 1 . . . . 78 LEU H . 11207 1 844 . 1 1 78 78 LEU HA H 1 4.483 0.030 . 1 . . . . 78 LEU HA . 11207 1 845 . 1 1 78 78 LEU HB2 H 1 1.565 0.030 . 2 . . . . 78 LEU HB2 . 11207 1 846 . 1 1 78 78 LEU HB3 H 1 1.213 0.030 . 2 . . . . 78 LEU HB3 . 11207 1 847 . 1 1 78 78 LEU HD11 H 1 0.617 0.030 . 1 . . . . 78 LEU HD1 . 11207 1 848 . 1 1 78 78 LEU HD12 H 1 0.617 0.030 . 1 . . . . 78 LEU HD1 . 11207 1 849 . 1 1 78 78 LEU HD13 H 1 0.617 0.030 . 1 . . . . 78 LEU HD1 . 11207 1 850 . 1 1 78 78 LEU HD21 H 1 0.526 0.030 . 1 . . . . 78 LEU HD2 . 11207 1 851 . 1 1 78 78 LEU HD22 H 1 0.526 0.030 . 1 . . . . 78 LEU HD2 . 11207 1 852 . 1 1 78 78 LEU HD23 H 1 0.526 0.030 . 1 . . . . 78 LEU HD2 . 11207 1 853 . 1 1 78 78 LEU HG H 1 1.561 0.030 . 1 . . . . 78 LEU HG . 11207 1 854 . 1 1 78 78 LEU C C 13 177.334 0.300 . 1 . . . . 78 LEU C . 11207 1 855 . 1 1 78 78 LEU CA C 13 53.725 0.300 . 1 . . . . 78 LEU CA . 11207 1 856 . 1 1 78 78 LEU CB C 13 42.529 0.300 . 1 . . . . 78 LEU CB . 11207 1 857 . 1 1 78 78 LEU CD1 C 13 26.880 0.300 . 2 . . . . 78 LEU CD1 . 11207 1 858 . 1 1 78 78 LEU CD2 C 13 22.571 0.300 . 2 . . . . 78 LEU CD2 . 11207 1 859 . 1 1 78 78 LEU CG C 13 26.327 0.300 . 1 . . . . 78 LEU CG . 11207 1 860 . 1 1 78 78 LEU N N 15 120.083 0.300 . 1 . . . . 78 LEU N . 11207 1 861 . 1 1 79 79 GLN H H 1 7.859 0.030 . 1 . . . . 79 GLN H . 11207 1 862 . 1 1 79 79 GLN HA H 1 4.227 0.030 . 1 . . . . 79 GLN HA . 11207 1 863 . 1 1 79 79 GLN HB2 H 1 2.100 0.030 . 2 . . . . 79 GLN HB2 . 11207 1 864 . 1 1 79 79 GLN HB3 H 1 1.994 0.030 . 2 . . . . 79 GLN HB3 . 11207 1 865 . 1 1 79 79 GLN HE21 H 1 7.554 0.030 . 2 . . . . 79 GLN HE21 . 11207 1 866 . 1 1 79 79 GLN HE22 H 1 6.856 0.030 . 2 . . . . 79 GLN HE22 . 11207 1 867 . 1 1 79 79 GLN HG2 H 1 2.338 0.030 . 1 . . . . 79 GLN HG2 . 11207 1 868 . 1 1 79 79 GLN HG3 H 1 2.338 0.030 . 1 . . . . 79 GLN HG3 . 11207 1 869 . 1 1 79 79 GLN C C 13 176.957 0.300 . 1 . . . . 79 GLN C . 11207 1 870 . 1 1 79 79 GLN CA C 13 58.143 0.300 . 1 . . . . 79 GLN CA . 11207 1 871 . 1 1 79 79 GLN CB C 13 27.907 0.300 . 1 . . . . 79 GLN CB . 11207 1 872 . 1 1 79 79 GLN CG C 13 33.906 0.300 . 1 . . . . 79 GLN CG . 11207 1 873 . 1 1 79 79 GLN N N 15 122.675 0.300 . 1 . . . . 79 GLN N . 11207 1 874 . 1 1 79 79 GLN NE2 N 15 112.003 0.300 . 1 . . . . 79 GLN NE2 . 11207 1 875 . 1 1 80 80 GLY H H 1 8.946 0.030 . 1 . . . . 80 GLY H . 11207 1 876 . 1 1 80 80 GLY HA2 H 1 4.035 0.030 . 2 . . . . 80 GLY HA2 . 11207 1 877 . 1 1 80 80 GLY HA3 H 1 3.818 0.030 . 2 . . . . 80 GLY HA3 . 11207 1 878 . 1 1 80 80 GLY C C 13 173.595 0.300 . 1 . . . . 80 GLY C . 11207 1 879 . 1 1 80 80 GLY CA C 13 45.629 0.300 . 1 . . . . 80 GLY CA . 11207 1 880 . 1 1 80 80 GLY N N 15 116.109 0.300 . 1 . . . . 80 GLY N . 11207 1 881 . 1 1 81 81 ALA H H 1 7.381 0.030 . 1 . . . . 81 ALA H . 11207 1 882 . 1 1 81 81 ALA HA H 1 4.342 0.030 . 1 . . . . 81 ALA HA . 11207 1 883 . 1 1 81 81 ALA HB1 H 1 1.332 0.030 . 1 . . . . 81 ALA HB . 11207 1 884 . 1 1 81 81 ALA HB2 H 1 1.332 0.030 . 1 . . . . 81 ALA HB . 11207 1 885 . 1 1 81 81 ALA HB3 H 1 1.332 0.030 . 1 . . . . 81 ALA HB . 11207 1 886 . 1 1 81 81 ALA C C 13 179.560 0.300 . 1 . . . . 81 ALA C . 11207 1 887 . 1 1 81 81 ALA CA C 13 52.150 0.300 . 1 . . . . 81 ALA CA . 11207 1 888 . 1 1 81 81 ALA CB C 13 20.168 0.300 . 1 . . . . 81 ALA CB . 11207 1 889 . 1 1 81 81 ALA N N 15 120.471 0.300 . 1 . . . . 81 ALA N . 11207 1 890 . 1 1 82 82 GLU H H 1 9.087 0.030 . 1 . . . . 82 GLU H . 11207 1 891 . 1 1 82 82 GLU HA H 1 4.566 0.030 . 1 . . . . 82 GLU HA . 11207 1 892 . 1 1 82 82 GLU HB2 H 1 2.455 0.030 . 2 . . . . 82 GLU HB2 . 11207 1 893 . 1 1 82 82 GLU HB3 H 1 1.705 0.030 . 2 . . . . 82 GLU HB3 . 11207 1 894 . 1 1 82 82 GLU HG2 H 1 2.495 0.030 . 1 . . . . 82 GLU HG2 . 11207 1 895 . 1 1 82 82 GLU HG3 H 1 2.495 0.030 . 1 . . . . 82 GLU HG3 . 11207 1 896 . 1 1 82 82 GLU C C 13 177.620 0.300 . 1 . . . . 82 GLU C . 11207 1 897 . 1 1 82 82 GLU CA C 13 56.346 0.300 . 1 . . . . 82 GLU CA . 11207 1 898 . 1 1 82 82 GLU CB C 13 31.944 0.300 . 1 . . . . 82 GLU CB . 11207 1 899 . 1 1 82 82 GLU CG C 13 37.598 0.300 . 1 . . . . 82 GLU CG . 11207 1 900 . 1 1 82 82 GLU N N 15 120.582 0.300 . 1 . . . . 82 GLU N . 11207 1 901 . 1 1 83 83 HIS H H 1 9.742 0.030 . 1 . . . . 83 HIS H . 11207 1 902 . 1 1 83 83 HIS HA H 1 3.798 0.030 . 1 . . . . 83 HIS HA . 11207 1 903 . 1 1 83 83 HIS HB2 H 1 3.646 0.030 . 2 . . . . 83 HIS HB2 . 11207 1 904 . 1 1 83 83 HIS HB3 H 1 3.233 0.030 . 2 . . . . 83 HIS HB3 . 11207 1 905 . 1 1 83 83 HIS HD2 H 1 6.807 0.030 . 1 . . . . 83 HIS HD2 . 11207 1 906 . 1 1 83 83 HIS HE1 H 1 7.635 0.030 . 1 . . . . 83 HIS HE1 . 11207 1 907 . 1 1 83 83 HIS C C 13 177.959 0.300 . 1 . . . . 83 HIS C . 11207 1 908 . 1 1 83 83 HIS CA C 13 62.322 0.300 . 1 . . . . 83 HIS CA . 11207 1 909 . 1 1 83 83 HIS CB C 13 29.527 0.300 . 1 . . . . 83 HIS CB . 11207 1 910 . 1 1 83 83 HIS CD2 C 13 123.260 0.300 . 1 . . . . 83 HIS CD2 . 11207 1 911 . 1 1 83 83 HIS CE1 C 13 137.483 0.300 . 1 . . . . 83 HIS CE1 . 11207 1 912 . 1 1 83 83 HIS N N 15 123.803 0.300 . 1 . . . . 83 HIS N . 11207 1 913 . 1 1 84 84 HIS H H 1 8.712 0.030 . 1 . . . . 84 HIS H . 11207 1 914 . 1 1 84 84 HIS HA H 1 4.297 0.030 . 1 . . . . 84 HIS HA . 11207 1 915 . 1 1 84 84 HIS HB2 H 1 3.337 0.030 . 2 . . . . 84 HIS HB2 . 11207 1 916 . 1 1 84 84 HIS HB3 H 1 3.242 0.030 . 2 . . . . 84 HIS HB3 . 11207 1 917 . 1 1 84 84 HIS HD2 H 1 7.211 0.030 . 1 . . . . 84 HIS HD2 . 11207 1 918 . 1 1 84 84 HIS HE1 H 1 7.948 0.030 . 1 . . . . 84 HIS HE1 . 11207 1 919 . 1 1 84 84 HIS C C 13 177.343 0.300 . 1 . . . . 84 HIS C . 11207 1 920 . 1 1 84 84 HIS CA C 13 59.365 0.300 . 1 . . . . 84 HIS CA . 11207 1 921 . 1 1 84 84 HIS CB C 13 29.396 0.300 . 1 . . . . 84 HIS CB . 11207 1 922 . 1 1 84 84 HIS CD2 C 13 119.419 0.300 . 1 . . . . 84 HIS CD2 . 11207 1 923 . 1 1 84 84 HIS CE1 C 13 138.762 0.300 . 1 . . . . 84 HIS CE1 . 11207 1 924 . 1 1 84 84 HIS N N 15 112.919 0.300 . 1 . . . . 84 HIS N . 11207 1 925 . 1 1 85 85 GLU H H 1 6.755 0.030 . 1 . . . . 85 GLU H . 11207 1 926 . 1 1 85 85 GLU HA H 1 3.929 0.030 . 1 . . . . 85 GLU HA . 11207 1 927 . 1 1 85 85 GLU HB2 H 1 2.221 0.030 . 2 . . . . 85 GLU HB2 . 11207 1 928 . 1 1 85 85 GLU HB3 H 1 1.881 0.030 . 2 . . . . 85 GLU HB3 . 11207 1 929 . 1 1 85 85 GLU HG2 H 1 1.666 0.030 . 2 . . . . 85 GLU HG2 . 11207 1 930 . 1 1 85 85 GLU HG3 H 1 2.020 0.030 . 2 . . . . 85 GLU HG3 . 11207 1 931 . 1 1 85 85 GLU C C 13 179.617 0.300 . 1 . . . . 85 GLU C . 11207 1 932 . 1 1 85 85 GLU CA C 13 58.507 0.300 . 1 . . . . 85 GLU CA . 11207 1 933 . 1 1 85 85 GLU CB C 13 29.787 0.300 . 1 . . . . 85 GLU CB . 11207 1 934 . 1 1 85 85 GLU CG C 13 37.422 0.300 . 1 . . . . 85 GLU CG . 11207 1 935 . 1 1 85 85 GLU N N 15 119.718 0.300 . 1 . . . . 85 GLU N . 11207 1 936 . 1 1 86 86 ALA H H 1 7.351 0.030 . 1 . . . . 86 ALA H . 11207 1 937 . 1 1 86 86 ALA HA H 1 3.922 0.030 . 1 . . . . 86 ALA HA . 11207 1 938 . 1 1 86 86 ALA HB1 H 1 1.216 0.030 . 1 . . . . 86 ALA HB . 11207 1 939 . 1 1 86 86 ALA HB2 H 1 1.216 0.030 . 1 . . . . 86 ALA HB . 11207 1 940 . 1 1 86 86 ALA HB3 H 1 1.216 0.030 . 1 . . . . 86 ALA HB . 11207 1 941 . 1 1 86 86 ALA C C 13 177.994 0.300 . 1 . . . . 86 ALA C . 11207 1 942 . 1 1 86 86 ALA CA C 13 54.734 0.300 . 1 . . . . 86 ALA CA . 11207 1 943 . 1 1 86 86 ALA CB C 13 19.334 0.300 . 1 . . . . 86 ALA CB . 11207 1 944 . 1 1 86 86 ALA N N 15 122.434 0.300 . 1 . . . . 86 ALA N . 11207 1 945 . 1 1 87 87 VAL H H 1 7.688 0.030 . 1 . . . . 87 VAL H . 11207 1 946 . 1 1 87 87 VAL HA H 1 3.314 0.030 . 1 . . . . 87 VAL HA . 11207 1 947 . 1 1 87 87 VAL HB H 1 2.113 0.030 . 1 . . . . 87 VAL HB . 11207 1 948 . 1 1 87 87 VAL HG11 H 1 0.899 0.030 . 1 . . . . 87 VAL HG1 . 11207 1 949 . 1 1 87 87 VAL HG12 H 1 0.899 0.030 . 1 . . . . 87 VAL HG1 . 11207 1 950 . 1 1 87 87 VAL HG13 H 1 0.899 0.030 . 1 . . . . 87 VAL HG1 . 11207 1 951 . 1 1 87 87 VAL HG21 H 1 0.939 0.030 . 1 . . . . 87 VAL HG2 . 11207 1 952 . 1 1 87 87 VAL HG22 H 1 0.939 0.030 . 1 . . . . 87 VAL HG2 . 11207 1 953 . 1 1 87 87 VAL HG23 H 1 0.939 0.030 . 1 . . . . 87 VAL HG2 . 11207 1 954 . 1 1 87 87 VAL C C 13 179.324 0.300 . 1 . . . . 87 VAL C . 11207 1 955 . 1 1 87 87 VAL CA C 13 67.133 0.300 . 1 . . . . 87 VAL CA . 11207 1 956 . 1 1 87 87 VAL CB C 13 31.921 0.300 . 1 . . . . 87 VAL CB . 11207 1 957 . 1 1 87 87 VAL CG1 C 13 23.356 0.300 . 2 . . . . 87 VAL CG1 . 11207 1 958 . 1 1 87 87 VAL CG2 C 13 21.155 0.300 . 2 . . . . 87 VAL CG2 . 11207 1 959 . 1 1 87 87 VAL N N 15 117.783 0.300 . 1 . . . . 87 VAL N . 11207 1 960 . 1 1 88 88 GLU H H 1 7.970 0.030 . 1 . . . . 88 GLU H . 11207 1 961 . 1 1 88 88 GLU HA H 1 4.058 0.030 . 1 . . . . 88 GLU HA . 11207 1 962 . 1 1 88 88 GLU HB2 H 1 2.072 0.030 . 2 . . . . 88 GLU HB2 . 11207 1 963 . 1 1 88 88 GLU HB3 H 1 2.007 0.030 . 2 . . . . 88 GLU HB3 . 11207 1 964 . 1 1 88 88 GLU HG2 H 1 2.332 0.030 . 1 . . . . 88 GLU HG2 . 11207 1 965 . 1 1 88 88 GLU HG3 H 1 2.332 0.030 . 1 . . . . 88 GLU HG3 . 11207 1 966 . 1 1 88 88 GLU C C 13 179.006 0.300 . 1 . . . . 88 GLU C . 11207 1 967 . 1 1 88 88 GLU CA C 13 58.859 0.300 . 1 . . . . 88 GLU CA . 11207 1 968 . 1 1 88 88 GLU CB C 13 29.155 0.300 . 1 . . . . 88 GLU CB . 11207 1 969 . 1 1 88 88 GLU CG C 13 35.878 0.300 . 1 . . . . 88 GLU CG . 11207 1 970 . 1 1 88 88 GLU N N 15 118.624 0.300 . 1 . . . . 88 GLU N . 11207 1 971 . 1 1 89 89 ALA H H 1 7.810 0.030 . 1 . . . . 89 ALA H . 11207 1 972 . 1 1 89 89 ALA HA H 1 4.132 0.030 . 1 . . . . 89 ALA HA . 11207 1 973 . 1 1 89 89 ALA HB1 H 1 1.408 0.030 . 1 . . . . 89 ALA HB . 11207 1 974 . 1 1 89 89 ALA HB2 H 1 1.408 0.030 . 1 . . . . 89 ALA HB . 11207 1 975 . 1 1 89 89 ALA HB3 H 1 1.408 0.030 . 1 . . . . 89 ALA HB . 11207 1 976 . 1 1 89 89 ALA C C 13 180.163 0.300 . 1 . . . . 89 ALA C . 11207 1 977 . 1 1 89 89 ALA CA C 13 54.754 0.300 . 1 . . . . 89 ALA CA . 11207 1 978 . 1 1 89 89 ALA CB C 13 17.472 0.300 . 1 . . . . 89 ALA CB . 11207 1 979 . 1 1 89 89 ALA N N 15 122.677 0.300 . 1 . . . . 89 ALA N . 11207 1 980 . 1 1 90 90 LEU H H 1 7.782 0.030 . 1 . . . . 90 LEU H . 11207 1 981 . 1 1 90 90 LEU HA H 1 3.849 0.030 . 1 . . . . 90 LEU HA . 11207 1 982 . 1 1 90 90 LEU HB2 H 1 1.915 0.030 . 2 . . . . 90 LEU HB2 . 11207 1 983 . 1 1 90 90 LEU HB3 H 1 1.384 0.030 . 2 . . . . 90 LEU HB3 . 11207 1 984 . 1 1 90 90 LEU HD11 H 1 0.665 0.030 . 1 . . . . 90 LEU HD1 . 11207 1 985 . 1 1 90 90 LEU HD12 H 1 0.665 0.030 . 1 . . . . 90 LEU HD1 . 11207 1 986 . 1 1 90 90 LEU HD13 H 1 0.665 0.030 . 1 . . . . 90 LEU HD1 . 11207 1 987 . 1 1 90 90 LEU HD21 H 1 0.645 0.030 . 1 . . . . 90 LEU HD2 . 11207 1 988 . 1 1 90 90 LEU HD22 H 1 0.645 0.030 . 1 . . . . 90 LEU HD2 . 11207 1 989 . 1 1 90 90 LEU HD23 H 1 0.645 0.030 . 1 . . . . 90 LEU HD2 . 11207 1 990 . 1 1 90 90 LEU HG H 1 1.643 0.030 . 1 . . . . 90 LEU HG . 11207 1 991 . 1 1 90 90 LEU C C 13 178.600 0.300 . 1 . . . . 90 LEU C . 11207 1 992 . 1 1 90 90 LEU CA C 13 57.581 0.300 . 1 . . . . 90 LEU CA . 11207 1 993 . 1 1 90 90 LEU CB C 13 41.807 0.300 . 1 . . . . 90 LEU CB . 11207 1 994 . 1 1 90 90 LEU CD1 C 13 25.567 0.300 . 2 . . . . 90 LEU CD1 . 11207 1 995 . 1 1 90 90 LEU CD2 C 13 23.785 0.300 . 2 . . . . 90 LEU CD2 . 11207 1 996 . 1 1 90 90 LEU CG C 13 27.134 0.300 . 1 . . . . 90 LEU CG . 11207 1 997 . 1 1 90 90 LEU N N 15 116.438 0.300 . 1 . . . . 90 LEU N . 11207 1 998 . 1 1 91 91 ARG H H 1 8.068 0.030 . 1 . . . . 91 ARG H . 11207 1 999 . 1 1 91 91 ARG HA H 1 4.132 0.030 . 1 . . . . 91 ARG HA . 11207 1 1000 . 1 1 91 91 ARG HB2 H 1 1.913 0.030 . 1 . . . . 91 ARG HB2 . 11207 1 1001 . 1 1 91 91 ARG HB3 H 1 1.913 0.030 . 1 . . . . 91 ARG HB3 . 11207 1 1002 . 1 1 91 91 ARG HD2 H 1 3.216 0.030 . 2 . . . . 91 ARG HD2 . 11207 1 1003 . 1 1 91 91 ARG HD3 H 1 3.157 0.030 . 2 . . . . 91 ARG HD3 . 11207 1 1004 . 1 1 91 91 ARG HG2 H 1 1.762 0.030 . 2 . . . . 91 ARG HG2 . 11207 1 1005 . 1 1 91 91 ARG HG3 H 1 1.652 0.030 . 2 . . . . 91 ARG HG3 . 11207 1 1006 . 1 1 91 91 ARG C C 13 178.269 0.300 . 1 . . . . 91 ARG C . 11207 1 1007 . 1 1 91 91 ARG CA C 13 58.719 0.300 . 1 . . . . 91 ARG CA . 11207 1 1008 . 1 1 91 91 ARG CB C 13 30.543 0.300 . 1 . . . . 91 ARG CB . 11207 1 1009 . 1 1 91 91 ARG CD C 13 43.543 0.300 . 1 . . . . 91 ARG CD . 11207 1 1010 . 1 1 91 91 ARG CG C 13 27.149 0.300 . 1 . . . . 91 ARG CG . 11207 1 1011 . 1 1 91 91 ARG N N 15 120.179 0.300 . 1 . . . . 91 ARG N . 11207 1 1012 . 1 1 92 92 GLY H H 1 7.941 0.030 . 1 . . . . 92 GLY H . 11207 1 1013 . 1 1 92 92 GLY HA2 H 1 4.145 0.030 . 2 . . . . 92 GLY HA2 . 11207 1 1014 . 1 1 92 92 GLY HA3 H 1 3.828 0.030 . 2 . . . . 92 GLY HA3 . 11207 1 1015 . 1 1 92 92 GLY C C 13 174.242 0.300 . 1 . . . . 92 GLY C . 11207 1 1016 . 1 1 92 92 GLY CA C 13 45.297 0.300 . 1 . . . . 92 GLY CA . 11207 1 1017 . 1 1 92 92 GLY N N 15 105.021 0.300 . 1 . . . . 92 GLY N . 11207 1 1018 . 1 1 93 93 ALA H H 1 7.158 0.030 . 1 . . . . 93 ALA H . 11207 1 1019 . 1 1 93 93 ALA HA H 1 4.253 0.030 . 1 . . . . 93 ALA HA . 11207 1 1020 . 1 1 93 93 ALA HB1 H 1 1.483 0.030 . 1 . . . . 93 ALA HB . 11207 1 1021 . 1 1 93 93 ALA HB2 H 1 1.483 0.030 . 1 . . . . 93 ALA HB . 11207 1 1022 . 1 1 93 93 ALA HB3 H 1 1.483 0.030 . 1 . . . . 93 ALA HB . 11207 1 1023 . 1 1 93 93 ALA C C 13 176.976 0.300 . 1 . . . . 93 ALA C . 11207 1 1024 . 1 1 93 93 ALA CA C 13 52.938 0.300 . 1 . . . . 93 ALA CA . 11207 1 1025 . 1 1 93 93 ALA CB C 13 20.431 0.300 . 1 . . . . 93 ALA CB . 11207 1 1026 . 1 1 93 93 ALA N N 15 120.966 0.300 . 1 . . . . 93 ALA N . 11207 1 1027 . 1 1 94 94 GLY H H 1 8.252 0.030 . 1 . . . . 94 GLY H . 11207 1 1028 . 1 1 94 94 GLY HA2 H 1 4.158 0.030 . 2 . . . . 94 GLY HA2 . 11207 1 1029 . 1 1 94 94 GLY HA3 H 1 3.899 0.030 . 2 . . . . 94 GLY HA3 . 11207 1 1030 . 1 1 94 94 GLY C C 13 174.733 0.300 . 1 . . . . 94 GLY C . 11207 1 1031 . 1 1 94 94 GLY CA C 13 44.715 0.300 . 1 . . . . 94 GLY CA . 11207 1 1032 . 1 1 94 94 GLY N N 15 106.585 0.300 . 1 . . . . 94 GLY N . 11207 1 1033 . 1 1 95 95 THR H H 1 8.341 0.030 . 1 . . . . 95 THR H . 11207 1 1034 . 1 1 95 95 THR HA H 1 4.094 0.030 . 1 . . . . 95 THR HA . 11207 1 1035 . 1 1 95 95 THR HB H 1 4.274 0.030 . 1 . . . . 95 THR HB . 11207 1 1036 . 1 1 95 95 THR HG21 H 1 1.270 0.030 . 1 . . . . 95 THR HG2 . 11207 1 1037 . 1 1 95 95 THR HG22 H 1 1.270 0.030 . 1 . . . . 95 THR HG2 . 11207 1 1038 . 1 1 95 95 THR HG23 H 1 1.270 0.030 . 1 . . . . 95 THR HG2 . 11207 1 1039 . 1 1 95 95 THR C C 13 173.611 0.300 . 1 . . . . 95 THR C . 11207 1 1040 . 1 1 95 95 THR CA C 13 64.350 0.300 . 1 . . . . 95 THR CA . 11207 1 1041 . 1 1 95 95 THR CB C 13 69.298 0.300 . 1 . . . . 95 THR CB . 11207 1 1042 . 1 1 95 95 THR CG2 C 13 22.268 0.300 . 1 . . . . 95 THR CG2 . 11207 1 1043 . 1 1 95 95 THR N N 15 113.693 0.300 . 1 . . . . 95 THR N . 11207 1 1044 . 1 1 96 96 ALA H H 1 7.831 0.030 . 1 . . . . 96 ALA H . 11207 1 1045 . 1 1 96 96 ALA HA H 1 5.006 0.030 . 1 . . . . 96 ALA HA . 11207 1 1046 . 1 1 96 96 ALA HB1 H 1 1.184 0.030 . 1 . . . . 96 ALA HB . 11207 1 1047 . 1 1 96 96 ALA HB2 H 1 1.184 0.030 . 1 . . . . 96 ALA HB . 11207 1 1048 . 1 1 96 96 ALA HB3 H 1 1.184 0.030 . 1 . . . . 96 ALA HB . 11207 1 1049 . 1 1 96 96 ALA C C 13 175.862 0.300 . 1 . . . . 96 ALA C . 11207 1 1050 . 1 1 96 96 ALA CA C 13 50.951 0.300 . 1 . . . . 96 ALA CA . 11207 1 1051 . 1 1 96 96 ALA CB C 13 19.825 0.300 . 1 . . . . 96 ALA CB . 11207 1 1052 . 1 1 96 96 ALA N N 15 123.834 0.300 . 1 . . . . 96 ALA N . 11207 1 1053 . 1 1 97 97 VAL H H 1 9.146 0.030 . 1 . . . . 97 VAL H . 11207 1 1054 . 1 1 97 97 VAL HA H 1 4.179 0.030 . 1 . . . . 97 VAL HA . 11207 1 1055 . 1 1 97 97 VAL HB H 1 2.072 0.030 . 1 . . . . 97 VAL HB . 11207 1 1056 . 1 1 97 97 VAL HG11 H 1 0.735 0.030 . 1 . . . . 97 VAL HG1 . 11207 1 1057 . 1 1 97 97 VAL HG12 H 1 0.735 0.030 . 1 . . . . 97 VAL HG1 . 11207 1 1058 . 1 1 97 97 VAL HG13 H 1 0.735 0.030 . 1 . . . . 97 VAL HG1 . 11207 1 1059 . 1 1 97 97 VAL HG21 H 1 0.837 0.030 . 1 . . . . 97 VAL HG2 . 11207 1 1060 . 1 1 97 97 VAL HG22 H 1 0.837 0.030 . 1 . . . . 97 VAL HG2 . 11207 1 1061 . 1 1 97 97 VAL HG23 H 1 0.837 0.030 . 1 . . . . 97 VAL HG2 . 11207 1 1062 . 1 1 97 97 VAL C C 13 174.292 0.300 . 1 . . . . 97 VAL C . 11207 1 1063 . 1 1 97 97 VAL CA C 13 61.870 0.300 . 1 . . . . 97 VAL CA . 11207 1 1064 . 1 1 97 97 VAL CB C 13 33.181 0.300 . 1 . . . . 97 VAL CB . 11207 1 1065 . 1 1 97 97 VAL CG1 C 13 21.620 0.300 . 2 . . . . 97 VAL CG1 . 11207 1 1066 . 1 1 97 97 VAL CG2 C 13 21.809 0.300 . 2 . . . . 97 VAL CG2 . 11207 1 1067 . 1 1 97 97 VAL N N 15 124.956 0.300 . 1 . . . . 97 VAL N . 11207 1 1068 . 1 1 98 98 GLN H H 1 9.040 0.030 . 1 . . . . 98 GLN H . 11207 1 1069 . 1 1 98 98 GLN HA H 1 5.054 0.030 . 1 . . . . 98 GLN HA . 11207 1 1070 . 1 1 98 98 GLN HB2 H 1 2.047 0.030 . 2 . . . . 98 GLN HB2 . 11207 1 1071 . 1 1 98 98 GLN HB3 H 1 1.969 0.030 . 2 . . . . 98 GLN HB3 . 11207 1 1072 . 1 1 98 98 GLN HE21 H 1 7.346 0.030 . 2 . . . . 98 GLN HE21 . 11207 1 1073 . 1 1 98 98 GLN HE22 H 1 6.820 0.030 . 2 . . . . 98 GLN HE22 . 11207 1 1074 . 1 1 98 98 GLN HG2 H 1 2.248 0.030 . 2 . . . . 98 GLN HG2 . 11207 1 1075 . 1 1 98 98 GLN HG3 H 1 2.113 0.030 . 2 . . . . 98 GLN HG3 . 11207 1 1076 . 1 1 98 98 GLN C C 13 175.252 0.300 . 1 . . . . 98 GLN C . 11207 1 1077 . 1 1 98 98 GLN CA C 13 54.928 0.300 . 1 . . . . 98 GLN CA . 11207 1 1078 . 1 1 98 98 GLN CB C 13 30.231 0.300 . 1 . . . . 98 GLN CB . 11207 1 1079 . 1 1 98 98 GLN CG C 13 34.485 0.300 . 1 . . . . 98 GLN CG . 11207 1 1080 . 1 1 98 98 GLN N N 15 128.366 0.300 . 1 . . . . 98 GLN N . 11207 1 1081 . 1 1 98 98 GLN NE2 N 15 111.679 0.300 . 1 . . . . 98 GLN NE2 . 11207 1 1082 . 1 1 99 99 MET H H 1 9.389 0.030 . 1 . . . . 99 MET H . 11207 1 1083 . 1 1 99 99 MET HA H 1 5.223 0.030 . 1 . . . . 99 MET HA . 11207 1 1084 . 1 1 99 99 MET HB2 H 1 1.853 0.030 . 2 . . . . 99 MET HB2 . 11207 1 1085 . 1 1 99 99 MET HB3 H 1 1.802 0.030 . 2 . . . . 99 MET HB3 . 11207 1 1086 . 1 1 99 99 MET HE1 H 1 1.708 0.030 . 1 . . . . 99 MET HE . 11207 1 1087 . 1 1 99 99 MET HE2 H 1 1.708 0.030 . 1 . . . . 99 MET HE . 11207 1 1088 . 1 1 99 99 MET HE3 H 1 1.708 0.030 . 1 . . . . 99 MET HE . 11207 1 1089 . 1 1 99 99 MET HG2 H 1 2.323 0.030 . 2 . . . . 99 MET HG2 . 11207 1 1090 . 1 1 99 99 MET HG3 H 1 2.242 0.030 . 2 . . . . 99 MET HG3 . 11207 1 1091 . 1 1 99 99 MET C C 13 173.661 0.300 . 1 . . . . 99 MET C . 11207 1 1092 . 1 1 99 99 MET CA C 13 54.231 0.300 . 1 . . . . 99 MET CA . 11207 1 1093 . 1 1 99 99 MET CB C 13 36.457 0.300 . 1 . . . . 99 MET CB . 11207 1 1094 . 1 1 99 99 MET CE C 13 17.208 0.300 . 1 . . . . 99 MET CE . 11207 1 1095 . 1 1 99 99 MET CG C 13 31.792 0.300 . 1 . . . . 99 MET CG . 11207 1 1096 . 1 1 99 99 MET N N 15 125.174 0.300 . 1 . . . . 99 MET N . 11207 1 1097 . 1 1 100 100 ARG H H 1 8.479 0.030 . 1 . . . . 100 ARG H . 11207 1 1098 . 1 1 100 100 ARG HA H 1 5.506 0.030 . 1 . . . . 100 ARG HA . 11207 1 1099 . 1 1 100 100 ARG HB2 H 1 1.740 0.030 . 2 . . . . 100 ARG HB2 . 11207 1 1100 . 1 1 100 100 ARG HB3 H 1 1.622 0.030 . 2 . . . . 100 ARG HB3 . 11207 1 1101 . 1 1 100 100 ARG HD2 H 1 3.144 0.030 . 2 . . . . 100 ARG HD2 . 11207 1 1102 . 1 1 100 100 ARG HD3 H 1 3.051 0.030 . 2 . . . . 100 ARG HD3 . 11207 1 1103 . 1 1 100 100 ARG HE H 1 7.277 0.030 . 1 . . . . 100 ARG HE . 11207 1 1104 . 1 1 100 100 ARG HG2 H 1 1.556 0.030 . 2 . . . . 100 ARG HG2 . 11207 1 1105 . 1 1 100 100 ARG HG3 H 1 1.452 0.030 . 2 . . . . 100 ARG HG3 . 11207 1 1106 . 1 1 100 100 ARG C C 13 175.775 0.300 . 1 . . . . 100 ARG C . 11207 1 1107 . 1 1 100 100 ARG CA C 13 54.799 0.300 . 1 . . . . 100 ARG CA . 11207 1 1108 . 1 1 100 100 ARG CB C 13 33.103 0.300 . 1 . . . . 100 ARG CB . 11207 1 1109 . 1 1 100 100 ARG CD C 13 43.482 0.300 . 1 . . . . 100 ARG CD . 11207 1 1110 . 1 1 100 100 ARG CG C 13 27.709 0.300 . 1 . . . . 100 ARG CG . 11207 1 1111 . 1 1 100 100 ARG N N 15 124.595 0.300 . 1 . . . . 100 ARG N . 11207 1 1112 . 1 1 100 100 ARG NE N 15 83.545 0.300 . 1 . . . . 100 ARG NE . 11207 1 1113 . 1 1 101 101 VAL H H 1 9.308 0.030 . 1 . . . . 101 VAL H . 11207 1 1114 . 1 1 101 101 VAL HA H 1 5.677 0.030 . 1 . . . . 101 VAL HA . 11207 1 1115 . 1 1 101 101 VAL HB H 1 2.018 0.030 . 1 . . . . 101 VAL HB . 11207 1 1116 . 1 1 101 101 VAL HG11 H 1 0.786 0.030 . 1 . . . . 101 VAL HG1 . 11207 1 1117 . 1 1 101 101 VAL HG12 H 1 0.786 0.030 . 1 . . . . 101 VAL HG1 . 11207 1 1118 . 1 1 101 101 VAL HG13 H 1 0.786 0.030 . 1 . . . . 101 VAL HG1 . 11207 1 1119 . 1 1 101 101 VAL HG21 H 1 0.767 0.030 . 1 . . . . 101 VAL HG2 . 11207 1 1120 . 1 1 101 101 VAL HG22 H 1 0.767 0.030 . 1 . . . . 101 VAL HG2 . 11207 1 1121 . 1 1 101 101 VAL HG23 H 1 0.767 0.030 . 1 . . . . 101 VAL HG2 . 11207 1 1122 . 1 1 101 101 VAL C C 13 173.651 0.300 . 1 . . . . 101 VAL C . 11207 1 1123 . 1 1 101 101 VAL CA C 13 58.086 0.300 . 1 . . . . 101 VAL CA . 11207 1 1124 . 1 1 101 101 VAL CB C 13 36.106 0.300 . 1 . . . . 101 VAL CB . 11207 1 1125 . 1 1 101 101 VAL CG1 C 13 21.097 0.300 . 2 . . . . 101 VAL CG1 . 11207 1 1126 . 1 1 101 101 VAL CG2 C 13 18.539 0.300 . 2 . . . . 101 VAL CG2 . 11207 1 1127 . 1 1 101 101 VAL N N 15 119.486 0.300 . 1 . . . . 101 VAL N . 11207 1 1128 . 1 1 102 102 TRP H H 1 9.221 0.030 . 1 . . . . 102 TRP H . 11207 1 1129 . 1 1 102 102 TRP HA H 1 5.356 0.030 . 1 . . . . 102 TRP HA . 11207 1 1130 . 1 1 102 102 TRP HB2 H 1 3.185 0.030 . 2 . . . . 102 TRP HB2 . 11207 1 1131 . 1 1 102 102 TRP HB3 H 1 3.123 0.030 . 2 . . . . 102 TRP HB3 . 11207 1 1132 . 1 1 102 102 TRP HD1 H 1 7.208 0.030 . 1 . . . . 102 TRP HD1 . 11207 1 1133 . 1 1 102 102 TRP HE1 H 1 10.595 0.030 . 1 . . . . 102 TRP HE1 . 11207 1 1134 . 1 1 102 102 TRP HE3 H 1 7.494 0.030 . 1 . . . . 102 TRP HE3 . 11207 1 1135 . 1 1 102 102 TRP HH2 H 1 7.224 0.030 . 1 . . . . 102 TRP HH2 . 11207 1 1136 . 1 1 102 102 TRP HZ2 H 1 7.459 0.030 . 1 . . . . 102 TRP HZ2 . 11207 1 1137 . 1 1 102 102 TRP HZ3 H 1 7.215 0.030 . 1 . . . . 102 TRP HZ3 . 11207 1 1138 . 1 1 102 102 TRP C C 13 174.714 0.300 . 1 . . . . 102 TRP C . 11207 1 1139 . 1 1 102 102 TRP CA C 13 56.100 0.300 . 1 . . . . 102 TRP CA . 11207 1 1140 . 1 1 102 102 TRP CB C 13 32.607 0.300 . 1 . . . . 102 TRP CB . 11207 1 1141 . 1 1 102 102 TRP CD1 C 13 126.788 0.300 . 1 . . . . 102 TRP CD1 . 11207 1 1142 . 1 1 102 102 TRP CE3 C 13 120.238 0.300 . 1 . . . . 102 TRP CE3 . 11207 1 1143 . 1 1 102 102 TRP CH2 C 13 124.733 0.300 . 1 . . . . 102 TRP CH2 . 11207 1 1144 . 1 1 102 102 TRP CZ2 C 13 114.803 0.300 . 1 . . . . 102 TRP CZ2 . 11207 1 1145 . 1 1 102 102 TRP CZ3 C 13 121.767 0.300 . 1 . . . . 102 TRP CZ3 . 11207 1 1146 . 1 1 102 102 TRP N N 15 121.556 0.300 . 1 . . . . 102 TRP N . 11207 1 1147 . 1 1 102 102 TRP NE1 N 15 131.044 0.300 . 1 . . . . 102 TRP NE1 . 11207 1 1148 . 1 1 103 103 ARG H H 1 8.688 0.030 . 1 . . . . 103 ARG H . 11207 1 1149 . 1 1 103 103 ARG HA H 1 4.506 0.030 . 1 . . . . 103 ARG HA . 11207 1 1150 . 1 1 103 103 ARG HB2 H 1 1.661 0.030 . 2 . . . . 103 ARG HB2 . 11207 1 1151 . 1 1 103 103 ARG HB3 H 1 1.484 0.030 . 2 . . . . 103 ARG HB3 . 11207 1 1152 . 1 1 103 103 ARG HD2 H 1 3.050 0.030 . 2 . . . . 103 ARG HD2 . 11207 1 1153 . 1 1 103 103 ARG HD3 H 1 2.903 0.030 . 2 . . . . 103 ARG HD3 . 11207 1 1154 . 1 1 103 103 ARG HE H 1 9.227 0.030 . 1 . . . . 103 ARG HE . 11207 1 1155 . 1 1 103 103 ARG HG2 H 1 1.387 0.030 . 1 . . . . 103 ARG HG2 . 11207 1 1156 . 1 1 103 103 ARG HG3 H 1 1.387 0.030 . 1 . . . . 103 ARG HG3 . 11207 1 1157 . 1 1 103 103 ARG C C 13 173.478 0.300 . 1 . . . . 103 ARG C . 11207 1 1158 . 1 1 103 103 ARG CA C 13 54.659 0.300 . 1 . . . . 103 ARG CA . 11207 1 1159 . 1 1 103 103 ARG CB C 13 33.883 0.300 . 1 . . . . 103 ARG CB . 11207 1 1160 . 1 1 103 103 ARG CD C 13 43.442 0.300 . 1 . . . . 103 ARG CD . 11207 1 1161 . 1 1 103 103 ARG CG C 13 25.778 0.300 . 1 . . . . 103 ARG CG . 11207 1 1162 . 1 1 103 103 ARG N N 15 130.422 0.300 . 1 . . . . 103 ARG N . 11207 1 1163 . 1 1 103 103 ARG NE N 15 84.725 0.300 . 1 . . . . 103 ARG NE . 11207 1 1164 . 1 1 104 104 GLU H H 1 8.273 0.030 . 1 . . . . 104 GLU H . 11207 1 1165 . 1 1 104 104 GLU HA H 1 4.176 0.030 . 1 . . . . 104 GLU HA . 11207 1 1166 . 1 1 104 104 GLU HB2 H 1 1.923 0.030 . 1 . . . . 104 GLU HB2 . 11207 1 1167 . 1 1 104 104 GLU HB3 H 1 1.923 0.030 . 1 . . . . 104 GLU HB3 . 11207 1 1168 . 1 1 104 104 GLU HG2 H 1 2.276 0.030 . 2 . . . . 104 GLU HG2 . 11207 1 1169 . 1 1 104 104 GLU HG3 H 1 2.240 0.030 . 2 . . . . 104 GLU HG3 . 11207 1 1170 . 1 1 104 104 GLU C C 13 176.406 0.300 . 1 . . . . 104 GLU C . 11207 1 1171 . 1 1 104 104 GLU CA C 13 55.872 0.300 . 1 . . . . 104 GLU CA . 11207 1 1172 . 1 1 104 104 GLU CB C 13 31.017 0.300 . 1 . . . . 104 GLU CB . 11207 1 1173 . 1 1 104 104 GLU CG C 13 36.452 0.300 . 1 . . . . 104 GLU CG . 11207 1 1174 . 1 1 104 104 GLU N N 15 124.550 0.300 . 1 . . . . 104 GLU N . 11207 1 1175 . 1 1 105 105 SER H H 1 8.572 0.030 . 1 . . . . 105 SER H . 11207 1 1176 . 1 1 105 105 SER HA H 1 4.439 0.030 . 1 . . . . 105 SER HA . 11207 1 1177 . 1 1 105 105 SER HB2 H 1 3.799 0.030 . 1 . . . . 105 SER HB2 . 11207 1 1178 . 1 1 105 105 SER HB3 H 1 3.799 0.030 . 1 . . . . 105 SER HB3 . 11207 1 1179 . 1 1 105 105 SER C C 13 174.507 0.300 . 1 . . . . 105 SER C . 11207 1 1180 . 1 1 105 105 SER CA C 13 58.358 0.300 . 1 . . . . 105 SER CA . 11207 1 1181 . 1 1 105 105 SER CB C 13 64.210 0.300 . 1 . . . . 105 SER CB . 11207 1 1182 . 1 1 105 105 SER N N 15 118.835 0.300 . 1 . . . . 105 SER N . 11207 1 1183 . 1 1 106 106 GLY H H 1 8.310 0.030 . 1 . . . . 106 GLY H . 11207 1 1184 . 1 1 106 106 GLY HA2 H 1 4.220 0.030 . 2 . . . . 106 GLY HA2 . 11207 1 1185 . 1 1 106 106 GLY HA3 H 1 4.058 0.030 . 2 . . . . 106 GLY HA3 . 11207 1 1186 . 1 1 106 106 GLY C C 13 171.723 0.300 . 1 . . . . 106 GLY C . 11207 1 1187 . 1 1 106 106 GLY CA C 13 44.758 0.300 . 1 . . . . 106 GLY CA . 11207 1 1188 . 1 1 106 106 GLY N N 15 110.613 0.300 . 1 . . . . 106 GLY N . 11207 1 1189 . 1 1 107 107 PRO HA H 1 4.491 0.030 . 1 . . . . 107 PRO HA . 11207 1 1190 . 1 1 107 107 PRO HB2 H 1 2.293 0.030 . 2 . . . . 107 PRO HB2 . 11207 1 1191 . 1 1 107 107 PRO HB3 H 1 1.976 0.030 . 2 . . . . 107 PRO HB3 . 11207 1 1192 . 1 1 107 107 PRO HD2 H 1 3.621 0.030 . 1 . . . . 107 PRO HD2 . 11207 1 1193 . 1 1 107 107 PRO HD3 H 1 3.621 0.030 . 1 . . . . 107 PRO HD3 . 11207 1 1194 . 1 1 107 107 PRO HG2 H 1 2.015 0.030 . 1 . . . . 107 PRO HG2 . 11207 1 1195 . 1 1 107 107 PRO HG3 H 1 2.015 0.030 . 1 . . . . 107 PRO HG3 . 11207 1 1196 . 1 1 107 107 PRO C C 13 177.408 0.300 . 1 . . . . 107 PRO C . 11207 1 1197 . 1 1 107 107 PRO CA C 13 63.209 0.300 . 1 . . . . 107 PRO CA . 11207 1 1198 . 1 1 107 107 PRO CB C 13 32.227 0.300 . 1 . . . . 107 PRO CB . 11207 1 1199 . 1 1 107 107 PRO CD C 13 49.830 0.300 . 1 . . . . 107 PRO CD . 11207 1 1200 . 1 1 107 107 PRO CG C 13 27.221 0.300 . 1 . . . . 107 PRO CG . 11207 1 1201 . 1 1 108 108 SER H H 1 8.546 0.030 . 1 . . . . 108 SER H . 11207 1 1202 . 1 1 108 108 SER HA H 1 4.510 0.030 . 1 . . . . 108 SER HA . 11207 1 1203 . 1 1 108 108 SER HB2 H 1 3.912 0.030 . 1 . . . . 108 SER HB2 . 11207 1 1204 . 1 1 108 108 SER HB3 H 1 3.912 0.030 . 1 . . . . 108 SER HB3 . 11207 1 1205 . 1 1 108 108 SER C C 13 174.768 0.300 . 1 . . . . 108 SER C . 11207 1 1206 . 1 1 108 108 SER CA C 13 58.374 0.300 . 1 . . . . 108 SER CA . 11207 1 1207 . 1 1 108 108 SER CB C 13 63.936 0.300 . 1 . . . . 108 SER CB . 11207 1 1208 . 1 1 108 108 SER N N 15 116.461 0.300 . 1 . . . . 108 SER N . 11207 1 1209 . 1 1 109 109 SER H H 1 8.351 0.030 . 1 . . . . 109 SER H . 11207 1 1210 . 1 1 109 109 SER HA H 1 4.498 0.030 . 1 . . . . 109 SER HA . 11207 1 1211 . 1 1 109 109 SER HB2 H 1 3.916 0.030 . 1 . . . . 109 SER HB2 . 11207 1 1212 . 1 1 109 109 SER HB3 H 1 3.916 0.030 . 1 . . . . 109 SER HB3 . 11207 1 1213 . 1 1 109 109 SER C C 13 174.761 0.300 . 1 . . . . 109 SER C . 11207 1 1214 . 1 1 109 109 SER CA C 13 58.381 0.300 . 1 . . . . 109 SER CA . 11207 1 1215 . 1 1 109 109 SER CB C 13 64.002 0.300 . 1 . . . . 109 SER CB . 11207 1 1216 . 1 1 109 109 SER N N 15 117.965 0.300 . 1 . . . . 109 SER N . 11207 1 1217 . 1 1 110 110 GLY H H 1 8.057 0.030 . 1 . . . . 110 GLY H . 11207 1 1218 . 1 1 110 110 GLY HA2 H 1 3.813 0.030 . 2 . . . . 110 GLY HA2 . 11207 1 1219 . 1 1 110 110 GLY HA3 H 1 3.755 0.030 . 2 . . . . 110 GLY HA3 . 11207 1 1220 . 1 1 110 110 GLY C C 13 173.844 0.300 . 1 . . . . 110 GLY C . 11207 1 1221 . 1 1 110 110 GLY CA C 13 46.246 0.300 . 1 . . . . 110 GLY CA . 11207 1 1222 . 1 1 110 110 GLY N N 15 116.834 0.300 . 1 . . . . 110 GLY N . 11207 1 stop_ save_