data_11100 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11100 _Entry.Title ; The solution structure of the first thioredoxin domain of mouse Protein disulfide-isomerase A6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-17 _Entry.Original_release_date 2011-02-17 _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 N. Tochio . . . 11100 2 S. Koshiba . . . 11100 3 M. Inoue . . . 11100 4 T. Kigawa . . . 11100 5 S. Yokoyama . . . 11100 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11100 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 536 11100 '15N chemical shifts' 128 11100 '1H chemical shifts' 825 11100 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 . . 2011-02-17 2010-02-18 original author . 11100 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DML 'BMRB Entry Tracking System' 11100 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11100 _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 ; The solution structure of the first thioredoxin domain of mouse Protein disulfide-isomerase A6 ; _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 N. Tochio . . . 11100 1 2 S. Koshiba . . . 11100 1 3 M. Inoue . . . 11100 1 4 T. Kigawa . . . 11100 1 5 S. Yokoyama . . . 11100 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11100 _Assembly.ID 1 _Assembly.Name 'Protein disulfide-isomerase A6' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.5.3.4.1 _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 '1st thioredoxin domain' 1 $entity_1 A . yes native no no . . . 11100 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 2dml . . . . . . 11100 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11100 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '1st thioredoxin domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAVSGLYSSSDDVI ELTPSNFNREVIQSDGLWLV EFYAPWCGHCQRLTPEWKKA ATALKDVVKVGAVNADKHQS LGGQYGVQGFPTIKIFGANK NKPEDYQGGRTGEAIVDAAL SALRSGPSSG ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DML . "The Solution Structure Of The First Thioredoxin Domain Of Mouse Protein Disulfide-Isomerase A6" . . . . . 100.00 130 100.00 100.00 4.42e-89 . . . . 11100 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 . 11100 1 2 . SER . 11100 1 3 . SER . 11100 1 4 . GLY . 11100 1 5 . SER . 11100 1 6 . SER . 11100 1 7 . GLY . 11100 1 8 . ALA . 11100 1 9 . VAL . 11100 1 10 . SER . 11100 1 11 . GLY . 11100 1 12 . LEU . 11100 1 13 . TYR . 11100 1 14 . SER . 11100 1 15 . SER . 11100 1 16 . SER . 11100 1 17 . ASP . 11100 1 18 . ASP . 11100 1 19 . VAL . 11100 1 20 . ILE . 11100 1 21 . GLU . 11100 1 22 . LEU . 11100 1 23 . THR . 11100 1 24 . PRO . 11100 1 25 . SER . 11100 1 26 . ASN . 11100 1 27 . PHE . 11100 1 28 . ASN . 11100 1 29 . ARG . 11100 1 30 . GLU . 11100 1 31 . VAL . 11100 1 32 . ILE . 11100 1 33 . GLN . 11100 1 34 . SER . 11100 1 35 . ASP . 11100 1 36 . GLY . 11100 1 37 . LEU . 11100 1 38 . TRP . 11100 1 39 . LEU . 11100 1 40 . VAL . 11100 1 41 . GLU . 11100 1 42 . PHE . 11100 1 43 . TYR . 11100 1 44 . ALA . 11100 1 45 . PRO . 11100 1 46 . TRP . 11100 1 47 . CYS . 11100 1 48 . GLY . 11100 1 49 . HIS . 11100 1 50 . CYS . 11100 1 51 . GLN . 11100 1 52 . ARG . 11100 1 53 . LEU . 11100 1 54 . THR . 11100 1 55 . PRO . 11100 1 56 . GLU . 11100 1 57 . TRP . 11100 1 58 . LYS . 11100 1 59 . LYS . 11100 1 60 . ALA . 11100 1 61 . ALA . 11100 1 62 . THR . 11100 1 63 . ALA . 11100 1 64 . LEU . 11100 1 65 . LYS . 11100 1 66 . ASP . 11100 1 67 . VAL . 11100 1 68 . VAL . 11100 1 69 . LYS . 11100 1 70 . VAL . 11100 1 71 . GLY . 11100 1 72 . ALA . 11100 1 73 . VAL . 11100 1 74 . ASN . 11100 1 75 . ALA . 11100 1 76 . ASP . 11100 1 77 . LYS . 11100 1 78 . HIS . 11100 1 79 . GLN . 11100 1 80 . SER . 11100 1 81 . LEU . 11100 1 82 . GLY . 11100 1 83 . GLY . 11100 1 84 . GLN . 11100 1 85 . TYR . 11100 1 86 . GLY . 11100 1 87 . VAL . 11100 1 88 . GLN . 11100 1 89 . GLY . 11100 1 90 . PHE . 11100 1 91 . PRO . 11100 1 92 . THR . 11100 1 93 . ILE . 11100 1 94 . LYS . 11100 1 95 . ILE . 11100 1 96 . PHE . 11100 1 97 . GLY . 11100 1 98 . ALA . 11100 1 99 . ASN . 11100 1 100 . LYS . 11100 1 101 . ASN . 11100 1 102 . LYS . 11100 1 103 . PRO . 11100 1 104 . GLU . 11100 1 105 . ASP . 11100 1 106 . TYR . 11100 1 107 . GLN . 11100 1 108 . GLY . 11100 1 109 . GLY . 11100 1 110 . ARG . 11100 1 111 . THR . 11100 1 112 . GLY . 11100 1 113 . GLU . 11100 1 114 . ALA . 11100 1 115 . ILE . 11100 1 116 . VAL . 11100 1 117 . ASP . 11100 1 118 . ALA . 11100 1 119 . ALA . 11100 1 120 . LEU . 11100 1 121 . SER . 11100 1 122 . ALA . 11100 1 123 . LEU . 11100 1 124 . ARG . 11100 1 125 . SER . 11100 1 126 . GLY . 11100 1 127 . PRO . 11100 1 128 . SER . 11100 1 129 . SER . 11100 1 130 . GLY . 11100 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 11100 1 . SER 2 2 11100 1 . SER 3 3 11100 1 . GLY 4 4 11100 1 . SER 5 5 11100 1 . SER 6 6 11100 1 . GLY 7 7 11100 1 . ALA 8 8 11100 1 . VAL 9 9 11100 1 . SER 10 10 11100 1 . GLY 11 11 11100 1 . LEU 12 12 11100 1 . TYR 13 13 11100 1 . SER 14 14 11100 1 . SER 15 15 11100 1 . SER 16 16 11100 1 . ASP 17 17 11100 1 . ASP 18 18 11100 1 . VAL 19 19 11100 1 . ILE 20 20 11100 1 . GLU 21 21 11100 1 . LEU 22 22 11100 1 . THR 23 23 11100 1 . PRO 24 24 11100 1 . SER 25 25 11100 1 . ASN 26 26 11100 1 . PHE 27 27 11100 1 . ASN 28 28 11100 1 . ARG 29 29 11100 1 . GLU 30 30 11100 1 . VAL 31 31 11100 1 . ILE 32 32 11100 1 . GLN 33 33 11100 1 . SER 34 34 11100 1 . ASP 35 35 11100 1 . GLY 36 36 11100 1 . LEU 37 37 11100 1 . TRP 38 38 11100 1 . LEU 39 39 11100 1 . VAL 40 40 11100 1 . GLU 41 41 11100 1 . PHE 42 42 11100 1 . TYR 43 43 11100 1 . ALA 44 44 11100 1 . PRO 45 45 11100 1 . TRP 46 46 11100 1 . CYS 47 47 11100 1 . GLY 48 48 11100 1 . HIS 49 49 11100 1 . CYS 50 50 11100 1 . GLN 51 51 11100 1 . ARG 52 52 11100 1 . LEU 53 53 11100 1 . THR 54 54 11100 1 . PRO 55 55 11100 1 . GLU 56 56 11100 1 . TRP 57 57 11100 1 . LYS 58 58 11100 1 . LYS 59 59 11100 1 . ALA 60 60 11100 1 . ALA 61 61 11100 1 . THR 62 62 11100 1 . ALA 63 63 11100 1 . LEU 64 64 11100 1 . LYS 65 65 11100 1 . ASP 66 66 11100 1 . VAL 67 67 11100 1 . VAL 68 68 11100 1 . LYS 69 69 11100 1 . VAL 70 70 11100 1 . GLY 71 71 11100 1 . ALA 72 72 11100 1 . VAL 73 73 11100 1 . ASN 74 74 11100 1 . ALA 75 75 11100 1 . ASP 76 76 11100 1 . LYS 77 77 11100 1 . HIS 78 78 11100 1 . GLN 79 79 11100 1 . SER 80 80 11100 1 . LEU 81 81 11100 1 . GLY 82 82 11100 1 . GLY 83 83 11100 1 . GLN 84 84 11100 1 . TYR 85 85 11100 1 . GLY 86 86 11100 1 . VAL 87 87 11100 1 . GLN 88 88 11100 1 . GLY 89 89 11100 1 . PHE 90 90 11100 1 . PRO 91 91 11100 1 . THR 92 92 11100 1 . ILE 93 93 11100 1 . LYS 94 94 11100 1 . ILE 95 95 11100 1 . PHE 96 96 11100 1 . GLY 97 97 11100 1 . ALA 98 98 11100 1 . ASN 99 99 11100 1 . LYS 100 100 11100 1 . ASN 101 101 11100 1 . LYS 102 102 11100 1 . PRO 103 103 11100 1 . GLU 104 104 11100 1 . ASP 105 105 11100 1 . TYR 106 106 11100 1 . GLN 107 107 11100 1 . GLY 108 108 11100 1 . GLY 109 109 11100 1 . ARG 110 110 11100 1 . THR 111 111 11100 1 . GLY 112 112 11100 1 . GLU 113 113 11100 1 . ALA 114 114 11100 1 . ILE 115 115 11100 1 . VAL 116 116 11100 1 . ASP 117 117 11100 1 . ALA 118 118 11100 1 . ALA 119 119 11100 1 . LEU 120 120 11100 1 . SER 121 121 11100 1 . ALA 122 122 11100 1 . LEU 123 123 11100 1 . ARG 124 124 11100 1 . SER 125 125 11100 1 . GLY 126 126 11100 1 . PRO 127 127 11100 1 . SER 128 128 11100 1 . SER 129 129 11100 1 . GLY 130 130 11100 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 11100 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11100 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 11100 _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 . . . . . . . . . . . . . . . . P050509-11 . . . . . . 11100 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11100 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM Thioredoxin domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '1st thioredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11100 1 2 d-Tris-HCl [U-2H] . . . . . buffer 20 . . mM . . . . 11100 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11100 1 4 d-DTT [U-2H] . . . . . salt 1 . . mM . . . . 11100 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11100 1 6 H2O . . . . . . solvent 90 . . % . . . . 11100 1 7 D2O . . . . . . solvent 10 . . % . . . . 11100 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11100 _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 M 11100 1 pH 7.0 0.05 pH 11100 1 pressure 1 0.001 atm 11100 1 temperature 296 0.1 K 11100 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11100 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11100 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11100 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11100 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11100 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11100 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11100 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11100 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11100 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11100 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11100 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11100 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11100 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11100 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11100 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 11100 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 11100 _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 Bruker AVANCE . 900 . . . 11100 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 11100 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11100 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11100 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11100 _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 . . . . . . . . . 11100 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11100 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11100 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11100 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 1H-15N NOESY' 1 $sample_1 isotropic 11100 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11100 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 $XWINNMR . . 11100 1 2 $NMRPipe . . 11100 1 3 $CYANA . . 11100 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.483 0.030 . 1 . . . . 6 SER HA . 11100 1 2 . 1 1 6 6 SER HB2 H 1 3.906 0.030 . 2 . . . . 6 SER HB2 . 11100 1 3 . 1 1 6 6 SER C C 13 175.060 0.300 . 1 . . . . 6 SER C . 11100 1 4 . 1 1 6 6 SER CA C 13 58.734 0.300 . 1 . . . . 6 SER CA . 11100 1 5 . 1 1 6 6 SER CB C 13 63.656 0.300 . 1 . . . . 6 SER CB . 11100 1 6 . 1 1 7 7 GLY H H 1 8.400 0.030 . 1 . . . . 7 GLY H . 11100 1 7 . 1 1 7 7 GLY HA2 H 1 3.950 0.030 . 1 . . . . 7 GLY HA2 . 11100 1 8 . 1 1 7 7 GLY HA3 H 1 3.950 0.030 . 1 . . . . 7 GLY HA3 . 11100 1 9 . 1 1 7 7 GLY C C 13 173.853 0.300 . 1 . . . . 7 GLY C . 11100 1 10 . 1 1 7 7 GLY CA C 13 45.255 0.300 . 1 . . . . 7 GLY CA . 11100 1 11 . 1 1 7 7 GLY N N 15 110.771 0.300 . 1 . . . . 7 GLY N . 11100 1 12 . 1 1 8 8 ALA H H 1 8.124 0.030 . 1 . . . . 8 ALA H . 11100 1 13 . 1 1 8 8 ALA HA H 1 4.358 0.030 . 1 . . . . 8 ALA HA . 11100 1 14 . 1 1 8 8 ALA HB1 H 1 1.361 0.030 . 1 . . . . 8 ALA HB . 11100 1 15 . 1 1 8 8 ALA HB2 H 1 1.361 0.030 . 1 . . . . 8 ALA HB . 11100 1 16 . 1 1 8 8 ALA HB3 H 1 1.361 0.030 . 1 . . . . 8 ALA HB . 11100 1 17 . 1 1 8 8 ALA C C 13 177.820 0.300 . 1 . . . . 8 ALA C . 11100 1 18 . 1 1 8 8 ALA CA C 13 52.437 0.300 . 1 . . . . 8 ALA CA . 11100 1 19 . 1 1 8 8 ALA CB C 13 19.322 0.300 . 1 . . . . 8 ALA CB . 11100 1 20 . 1 1 8 8 ALA N N 15 123.881 0.300 . 1 . . . . 8 ALA N . 11100 1 21 . 1 1 9 9 VAL H H 1 8.185 0.030 . 1 . . . . 9 VAL H . 11100 1 22 . 1 1 9 9 VAL HA H 1 4.172 0.030 . 1 . . . . 9 VAL HA . 11100 1 23 . 1 1 9 9 VAL HB H 1 2.098 0.030 . 1 . . . . 9 VAL HB . 11100 1 24 . 1 1 9 9 VAL HG11 H 1 0.937 0.030 . 1 . . . . 9 VAL HG1 . 11100 1 25 . 1 1 9 9 VAL HG12 H 1 0.937 0.030 . 1 . . . . 9 VAL HG1 . 11100 1 26 . 1 1 9 9 VAL HG13 H 1 0.937 0.030 . 1 . . . . 9 VAL HG1 . 11100 1 27 . 1 1 9 9 VAL HG21 H 1 0.934 0.030 . 1 . . . . 9 VAL HG2 . 11100 1 28 . 1 1 9 9 VAL HG22 H 1 0.934 0.030 . 1 . . . . 9 VAL HG2 . 11100 1 29 . 1 1 9 9 VAL HG23 H 1 0.934 0.030 . 1 . . . . 9 VAL HG2 . 11100 1 30 . 1 1 9 9 VAL C C 13 176.307 0.300 . 1 . . . . 9 VAL C . 11100 1 31 . 1 1 9 9 VAL CA C 13 62.197 0.300 . 1 . . . . 9 VAL CA . 11100 1 32 . 1 1 9 9 VAL CB C 13 32.871 0.300 . 1 . . . . 9 VAL CB . 11100 1 33 . 1 1 9 9 VAL CG1 C 13 20.494 0.300 . 2 . . . . 9 VAL CG1 . 11100 1 34 . 1 1 9 9 VAL CG2 C 13 21.158 0.300 . 2 . . . . 9 VAL CG2 . 11100 1 35 . 1 1 9 9 VAL N N 15 119.532 0.300 . 1 . . . . 9 VAL N . 11100 1 36 . 1 1 10 10 SER H H 1 8.495 0.030 . 1 . . . . 10 SER H . 11100 1 37 . 1 1 10 10 SER HA H 1 4.507 0.030 . 1 . . . . 10 SER HA . 11100 1 38 . 1 1 10 10 SER HB2 H 1 3.884 0.030 . 2 . . . . 10 SER HB2 . 11100 1 39 . 1 1 10 10 SER C C 13 174.630 0.300 . 1 . . . . 10 SER C . 11100 1 40 . 1 1 10 10 SER CA C 13 58.482 0.300 . 1 . . . . 10 SER CA . 11100 1 41 . 1 1 10 10 SER CB C 13 63.989 0.300 . 1 . . . . 10 SER CB . 11100 1 42 . 1 1 10 10 SER N N 15 119.684 0.300 . 1 . . . . 10 SER N . 11100 1 43 . 1 1 11 11 GLY H H 1 8.164 0.030 . 1 . . . . 11 GLY H . 11100 1 44 . 1 1 11 11 GLY HA2 H 1 4.192 0.030 . 1 . . . . 11 GLY HA2 . 11100 1 45 . 1 1 11 11 GLY HA3 H 1 4.192 0.030 . 1 . . . . 11 GLY HA3 . 11100 1 46 . 1 1 11 11 GLY C C 13 173.502 0.300 . 1 . . . . 11 GLY C . 11100 1 47 . 1 1 11 11 GLY CA C 13 45.221 0.300 . 1 . . . . 11 GLY CA . 11100 1 48 . 1 1 11 11 GLY N N 15 109.925 0.300 . 1 . . . . 11 GLY N . 11100 1 49 . 1 1 12 12 LEU H H 1 7.601 0.030 . 1 . . . . 12 LEU H . 11100 1 50 . 1 1 12 12 LEU HA H 1 4.077 0.030 . 1 . . . . 12 LEU HA . 11100 1 51 . 1 1 12 12 LEU HB2 H 1 0.731 0.030 . 2 . . . . 12 LEU HB2 . 11100 1 52 . 1 1 12 12 LEU HB3 H 1 0.411 0.030 . 2 . . . . 12 LEU HB3 . 11100 1 53 . 1 1 12 12 LEU HD11 H 1 0.279 0.030 . 1 . . . . 12 LEU HD1 . 11100 1 54 . 1 1 12 12 LEU HD12 H 1 0.279 0.030 . 1 . . . . 12 LEU HD1 . 11100 1 55 . 1 1 12 12 LEU HD13 H 1 0.279 0.030 . 1 . . . . 12 LEU HD1 . 11100 1 56 . 1 1 12 12 LEU HD21 H 1 0.655 0.030 . 1 . . . . 12 LEU HD2 . 11100 1 57 . 1 1 12 12 LEU HD22 H 1 0.655 0.030 . 1 . . . . 12 LEU HD2 . 11100 1 58 . 1 1 12 12 LEU HD23 H 1 0.655 0.030 . 1 . . . . 12 LEU HD2 . 11100 1 59 . 1 1 12 12 LEU HG H 1 1.158 0.030 . 1 . . . . 12 LEU HG . 11100 1 60 . 1 1 12 12 LEU C C 13 175.767 0.300 . 1 . . . . 12 LEU C . 11100 1 61 . 1 1 12 12 LEU CA C 13 55.527 0.300 . 1 . . . . 12 LEU CA . 11100 1 62 . 1 1 12 12 LEU CB C 13 42.245 0.300 . 1 . . . . 12 LEU CB . 11100 1 63 . 1 1 12 12 LEU CD1 C 13 24.998 0.300 . 2 . . . . 12 LEU CD1 . 11100 1 64 . 1 1 12 12 LEU CD2 C 13 22.082 0.300 . 2 . . . . 12 LEU CD2 . 11100 1 65 . 1 1 12 12 LEU CG C 13 27.121 0.300 . 1 . . . . 12 LEU CG . 11100 1 66 . 1 1 12 12 LEU N N 15 118.783 0.300 . 1 . . . . 12 LEU N . 11100 1 67 . 1 1 13 13 TYR H H 1 7.757 0.030 . 1 . . . . 13 TYR H . 11100 1 68 . 1 1 13 13 TYR HA H 1 4.790 0.030 . 1 . . . . 13 TYR HA . 11100 1 69 . 1 1 13 13 TYR HB2 H 1 3.444 0.030 . 2 . . . . 13 TYR HB2 . 11100 1 70 . 1 1 13 13 TYR HB3 H 1 2.713 0.030 . 2 . . . . 13 TYR HB3 . 11100 1 71 . 1 1 13 13 TYR HD1 H 1 6.984 0.030 . 1 . . . . 13 TYR HD1 . 11100 1 72 . 1 1 13 13 TYR HD2 H 1 6.984 0.030 . 1 . . . . 13 TYR HD2 . 11100 1 73 . 1 1 13 13 TYR HE1 H 1 6.363 0.030 . 1 . . . . 13 TYR HE1 . 11100 1 74 . 1 1 13 13 TYR HE2 H 1 6.363 0.030 . 1 . . . . 13 TYR HE2 . 11100 1 75 . 1 1 13 13 TYR C C 13 174.885 0.300 . 1 . . . . 13 TYR C . 11100 1 76 . 1 1 13 13 TYR CA C 13 57.182 0.300 . 1 . . . . 13 TYR CA . 11100 1 77 . 1 1 13 13 TYR CB C 13 40.197 0.300 . 1 . . . . 13 TYR CB . 11100 1 78 . 1 1 13 13 TYR CD1 C 13 133.232 0.300 . 1 . . . . 13 TYR CD1 . 11100 1 79 . 1 1 13 13 TYR CD2 C 13 133.232 0.300 . 1 . . . . 13 TYR CD2 . 11100 1 80 . 1 1 13 13 TYR CE1 C 13 119.424 0.300 . 1 . . . . 13 TYR CE1 . 11100 1 81 . 1 1 13 13 TYR CE2 C 13 119.424 0.300 . 1 . . . . 13 TYR CE2 . 11100 1 82 . 1 1 13 13 TYR N N 15 115.975 0.300 . 1 . . . . 13 TYR N . 11100 1 83 . 1 1 14 14 SER H H 1 9.573 0.030 . 1 . . . . 14 SER H . 11100 1 84 . 1 1 14 14 SER HA H 1 4.944 0.030 . 1 . . . . 14 SER HA . 11100 1 85 . 1 1 14 14 SER HB2 H 1 4.070 0.030 . 2 . . . . 14 SER HB2 . 11100 1 86 . 1 1 14 14 SER HB3 H 1 3.824 0.030 . 2 . . . . 14 SER HB3 . 11100 1 87 . 1 1 14 14 SER C C 13 176.227 0.300 . 1 . . . . 14 SER C . 11100 1 88 . 1 1 14 14 SER CA C 13 57.269 0.300 . 1 . . . . 14 SER CA . 11100 1 89 . 1 1 14 14 SER CB C 13 66.459 0.300 . 1 . . . . 14 SER CB . 11100 1 90 . 1 1 14 14 SER N N 15 118.246 0.300 . 1 . . . . 14 SER N . 11100 1 91 . 1 1 15 15 SER HA H 1 4.430 0.030 . 1 . . . . 15 SER HA . 11100 1 92 . 1 1 15 15 SER HB2 H 1 4.083 0.030 . 2 . . . . 15 SER HB2 . 11100 1 93 . 1 1 15 15 SER HB3 H 1 4.007 0.030 . 2 . . . . 15 SER HB3 . 11100 1 94 . 1 1 15 15 SER C C 13 174.951 0.300 . 1 . . . . 15 SER C . 11100 1 95 . 1 1 15 15 SER CA C 13 60.652 0.300 . 1 . . . . 15 SER CA . 11100 1 96 . 1 1 15 15 SER CB C 13 62.913 0.300 . 1 . . . . 15 SER CB . 11100 1 97 . 1 1 16 16 SER H H 1 7.979 0.030 . 1 . . . . 16 SER H . 11100 1 98 . 1 1 16 16 SER HA H 1 4.483 0.030 . 1 . . . . 16 SER HA . 11100 1 99 . 1 1 16 16 SER HB2 H 1 3.882 0.030 . 2 . . . . 16 SER HB2 . 11100 1 100 . 1 1 16 16 SER C C 13 174.385 0.300 . 1 . . . . 16 SER C . 11100 1 101 . 1 1 16 16 SER CA C 13 58.810 0.300 . 1 . . . . 16 SER CA . 11100 1 102 . 1 1 16 16 SER CB C 13 63.376 0.300 . 1 . . . . 16 SER CB . 11100 1 103 . 1 1 16 16 SER N N 15 114.521 0.300 . 1 . . . . 16 SER N . 11100 1 104 . 1 1 17 17 ASP H H 1 7.706 0.030 . 1 . . . . 17 ASP H . 11100 1 105 . 1 1 17 17 ASP HA H 1 4.824 0.030 . 1 . . . . 17 ASP HA . 11100 1 106 . 1 1 17 17 ASP HB2 H 1 3.148 0.030 . 2 . . . . 17 ASP HB2 . 11100 1 107 . 1 1 17 17 ASP HB3 H 1 2.685 0.030 . 2 . . . . 17 ASP HB3 . 11100 1 108 . 1 1 17 17 ASP C C 13 175.255 0.300 . 1 . . . . 17 ASP C . 11100 1 109 . 1 1 17 17 ASP CA C 13 54.125 0.300 . 1 . . . . 17 ASP CA . 11100 1 110 . 1 1 17 17 ASP CB C 13 42.970 0.300 . 1 . . . . 17 ASP CB . 11100 1 111 . 1 1 17 17 ASP N N 15 121.149 0.300 . 1 . . . . 17 ASP N . 11100 1 112 . 1 1 18 18 ASP H H 1 8.895 0.030 . 1 . . . . 18 ASP H . 11100 1 113 . 1 1 18 18 ASP HA H 1 4.707 0.030 . 1 . . . . 18 ASP HA . 11100 1 114 . 1 1 18 18 ASP HB2 H 1 2.552 0.030 . 2 . . . . 18 ASP HB2 . 11100 1 115 . 1 1 18 18 ASP HB3 H 1 2.091 0.030 . 2 . . . . 18 ASP HB3 . 11100 1 116 . 1 1 18 18 ASP C C 13 174.831 0.300 . 1 . . . . 18 ASP C . 11100 1 117 . 1 1 18 18 ASP CA C 13 55.567 0.300 . 1 . . . . 18 ASP CA . 11100 1 118 . 1 1 18 18 ASP CB C 13 41.270 0.300 . 1 . . . . 18 ASP CB . 11100 1 119 . 1 1 18 18 ASP N N 15 116.620 0.300 . 1 . . . . 18 ASP N . 11100 1 120 . 1 1 19 19 VAL H H 1 7.084 0.030 . 1 . . . . 19 VAL H . 11100 1 121 . 1 1 19 19 VAL HA H 1 3.627 0.030 . 1 . . . . 19 VAL HA . 11100 1 122 . 1 1 19 19 VAL HB H 1 1.654 0.030 . 1 . . . . 19 VAL HB . 11100 1 123 . 1 1 19 19 VAL HG11 H 1 0.075 0.030 . 1 . . . . 19 VAL HG1 . 11100 1 124 . 1 1 19 19 VAL HG12 H 1 0.075 0.030 . 1 . . . . 19 VAL HG1 . 11100 1 125 . 1 1 19 19 VAL HG13 H 1 0.075 0.030 . 1 . . . . 19 VAL HG1 . 11100 1 126 . 1 1 19 19 VAL HG21 H 1 0.554 0.030 . 1 . . . . 19 VAL HG2 . 11100 1 127 . 1 1 19 19 VAL HG22 H 1 0.554 0.030 . 1 . . . . 19 VAL HG2 . 11100 1 128 . 1 1 19 19 VAL HG23 H 1 0.554 0.030 . 1 . . . . 19 VAL HG2 . 11100 1 129 . 1 1 19 19 VAL C C 13 175.153 0.300 . 1 . . . . 19 VAL C . 11100 1 130 . 1 1 19 19 VAL CA C 13 61.506 0.300 . 1 . . . . 19 VAL CA . 11100 1 131 . 1 1 19 19 VAL CB C 13 32.977 0.300 . 1 . . . . 19 VAL CB . 11100 1 132 . 1 1 19 19 VAL CG1 C 13 21.210 0.300 . 2 . . . . 19 VAL CG1 . 11100 1 133 . 1 1 19 19 VAL CG2 C 13 22.104 0.300 . 2 . . . . 19 VAL CG2 . 11100 1 134 . 1 1 19 19 VAL N N 15 120.478 0.300 . 1 . . . . 19 VAL N . 11100 1 135 . 1 1 20 20 ILE H H 1 9.157 0.030 . 1 . . . . 20 ILE H . 11100 1 136 . 1 1 20 20 ILE HA H 1 4.035 0.030 . 1 . . . . 20 ILE HA . 11100 1 137 . 1 1 20 20 ILE HB H 1 1.972 0.030 . 1 . . . . 20 ILE HB . 11100 1 138 . 1 1 20 20 ILE HD11 H 1 0.790 0.030 . 1 . . . . 20 ILE HD1 . 11100 1 139 . 1 1 20 20 ILE HD12 H 1 0.790 0.030 . 1 . . . . 20 ILE HD1 . 11100 1 140 . 1 1 20 20 ILE HD13 H 1 0.790 0.030 . 1 . . . . 20 ILE HD1 . 11100 1 141 . 1 1 20 20 ILE HG12 H 1 1.594 0.030 . 2 . . . . 20 ILE HG12 . 11100 1 142 . 1 1 20 20 ILE HG13 H 1 1.269 0.030 . 2 . . . . 20 ILE HG13 . 11100 1 143 . 1 1 20 20 ILE HG21 H 1 0.929 0.030 . 1 . . . . 20 ILE HG2 . 11100 1 144 . 1 1 20 20 ILE HG22 H 1 0.929 0.030 . 1 . . . . 20 ILE HG2 . 11100 1 145 . 1 1 20 20 ILE HG23 H 1 0.929 0.030 . 1 . . . . 20 ILE HG2 . 11100 1 146 . 1 1 20 20 ILE C C 13 175.340 0.300 . 1 . . . . 20 ILE C . 11100 1 147 . 1 1 20 20 ILE CA C 13 60.712 0.300 . 1 . . . . 20 ILE CA . 11100 1 148 . 1 1 20 20 ILE CB C 13 39.052 0.300 . 1 . . . . 20 ILE CB . 11100 1 149 . 1 1 20 20 ILE CD1 C 13 12.931 0.300 . 1 . . . . 20 ILE CD1 . 11100 1 150 . 1 1 20 20 ILE CG1 C 13 27.980 0.300 . 1 . . . . 20 ILE CG1 . 11100 1 151 . 1 1 20 20 ILE CG2 C 13 17.152 0.300 . 1 . . . . 20 ILE CG2 . 11100 1 152 . 1 1 20 20 ILE N N 15 130.356 0.300 . 1 . . . . 20 ILE N . 11100 1 153 . 1 1 21 21 GLU H H 1 8.703 0.030 . 1 . . . . 21 GLU H . 11100 1 154 . 1 1 21 21 GLU HA H 1 4.491 0.030 . 1 . . . . 21 GLU HA . 11100 1 155 . 1 1 21 21 GLU HB2 H 1 2.115 0.030 . 2 . . . . 21 GLU HB2 . 11100 1 156 . 1 1 21 21 GLU HB3 H 1 2.061 0.030 . 2 . . . . 21 GLU HB3 . 11100 1 157 . 1 1 21 21 GLU HG2 H 1 2.254 0.030 . 2 . . . . 21 GLU HG2 . 11100 1 158 . 1 1 21 21 GLU HG3 H 1 2.215 0.030 . 2 . . . . 21 GLU HG3 . 11100 1 159 . 1 1 21 21 GLU C C 13 175.746 0.300 . 1 . . . . 21 GLU C . 11100 1 160 . 1 1 21 21 GLU CA C 13 57.154 0.300 . 1 . . . . 21 GLU CA . 11100 1 161 . 1 1 21 21 GLU CB C 13 29.663 0.300 . 1 . . . . 21 GLU CB . 11100 1 162 . 1 1 21 21 GLU CG C 13 36.024 0.300 . 1 . . . . 21 GLU CG . 11100 1 163 . 1 1 21 21 GLU N N 15 129.687 0.300 . 1 . . . . 21 GLU N . 11100 1 164 . 1 1 22 22 LEU H H 1 8.965 0.030 . 1 . . . . 22 LEU H . 11100 1 165 . 1 1 22 22 LEU HA H 1 5.127 0.030 . 1 . . . . 22 LEU HA . 11100 1 166 . 1 1 22 22 LEU HB2 H 1 1.736 0.030 . 2 . . . . 22 LEU HB2 . 11100 1 167 . 1 1 22 22 LEU HB3 H 1 1.086 0.030 . 2 . . . . 22 LEU HB3 . 11100 1 168 . 1 1 22 22 LEU HD11 H 1 0.390 0.030 . 1 . . . . 22 LEU HD1 . 11100 1 169 . 1 1 22 22 LEU HD12 H 1 0.390 0.030 . 1 . . . . 22 LEU HD1 . 11100 1 170 . 1 1 22 22 LEU HD13 H 1 0.390 0.030 . 1 . . . . 22 LEU HD1 . 11100 1 171 . 1 1 22 22 LEU HD21 H 1 0.382 0.030 . 1 . . . . 22 LEU HD2 . 11100 1 172 . 1 1 22 22 LEU HD22 H 1 0.382 0.030 . 1 . . . . 22 LEU HD2 . 11100 1 173 . 1 1 22 22 LEU HD23 H 1 0.382 0.030 . 1 . . . . 22 LEU HD2 . 11100 1 174 . 1 1 22 22 LEU HG H 1 1.625 0.030 . 1 . . . . 22 LEU HG . 11100 1 175 . 1 1 22 22 LEU C C 13 175.530 0.300 . 1 . . . . 22 LEU C . 11100 1 176 . 1 1 22 22 LEU CA C 13 53.321 0.300 . 1 . . . . 22 LEU CA . 11100 1 177 . 1 1 22 22 LEU CB C 13 45.204 0.300 . 1 . . . . 22 LEU CB . 11100 1 178 . 1 1 22 22 LEU CD1 C 13 26.998 0.300 . 2 . . . . 22 LEU CD1 . 11100 1 179 . 1 1 22 22 LEU CD2 C 13 22.861 0.300 . 2 . . . . 22 LEU CD2 . 11100 1 180 . 1 1 22 22 LEU CG C 13 26.169 0.300 . 1 . . . . 22 LEU CG . 11100 1 181 . 1 1 22 22 LEU N N 15 130.122 0.300 . 1 . . . . 22 LEU N . 11100 1 182 . 1 1 23 23 THR H H 1 9.342 0.030 . 1 . . . . 23 THR H . 11100 1 183 . 1 1 23 23 THR HA H 1 4.323 0.030 . 1 . . . . 23 THR HA . 11100 1 184 . 1 1 23 23 THR HB H 1 4.163 0.030 . 1 . . . . 23 THR HB . 11100 1 185 . 1 1 23 23 THR HG21 H 1 1.146 0.030 . 1 . . . . 23 THR HG2 . 11100 1 186 . 1 1 23 23 THR HG22 H 1 1.146 0.030 . 1 . . . . 23 THR HG2 . 11100 1 187 . 1 1 23 23 THR HG23 H 1 1.146 0.030 . 1 . . . . 23 THR HG2 . 11100 1 188 . 1 1 23 23 THR C C 13 172.826 0.300 . 1 . . . . 23 THR C . 11100 1 189 . 1 1 23 23 THR CA C 13 58.582 0.300 . 1 . . . . 23 THR CA . 11100 1 190 . 1 1 23 23 THR CB C 13 69.556 0.300 . 1 . . . . 23 THR CB . 11100 1 191 . 1 1 23 23 THR CG2 C 13 21.117 0.300 . 1 . . . . 23 THR CG2 . 11100 1 192 . 1 1 23 23 THR N N 15 113.209 0.300 . 1 . . . . 23 THR N . 11100 1 193 . 1 1 24 24 PRO HA H 1 4.237 0.030 . 1 . . . . 24 PRO HA . 11100 1 194 . 1 1 24 24 PRO HB2 H 1 1.889 0.030 . 2 . . . . 24 PRO HB2 . 11100 1 195 . 1 1 24 24 PRO HB3 H 1 2.463 0.030 . 2 . . . . 24 PRO HB3 . 11100 1 196 . 1 1 24 24 PRO HD2 H 1 3.340 0.030 . 2 . . . . 24 PRO HD2 . 11100 1 197 . 1 1 24 24 PRO HD3 H 1 2.529 0.030 . 2 . . . . 24 PRO HD3 . 11100 1 198 . 1 1 24 24 PRO HG2 H 1 2.271 0.030 . 2 . . . . 24 PRO HG2 . 11100 1 199 . 1 1 24 24 PRO HG3 H 1 1.707 0.030 . 2 . . . . 24 PRO HG3 . 11100 1 200 . 1 1 24 24 PRO CA C 13 65.482 0.300 . 1 . . . . 24 PRO CA . 11100 1 201 . 1 1 24 24 PRO CB C 13 31.512 0.300 . 1 . . . . 24 PRO CB . 11100 1 202 . 1 1 24 24 PRO CD C 13 49.528 0.300 . 1 . . . . 24 PRO CD . 11100 1 203 . 1 1 24 24 PRO CG C 13 28.905 0.300 . 1 . . . . 24 PRO CG . 11100 1 204 . 1 1 25 25 SER HA H 1 4.380 0.030 . 1 . . . . 25 SER HA . 11100 1 205 . 1 1 25 25 SER HB2 H 1 3.830 0.030 . 2 . . . . 25 SER HB2 . 11100 1 206 . 1 1 25 25 SER HB3 H 1 3.747 0.030 . 2 . . . . 25 SER HB3 . 11100 1 207 . 1 1 25 25 SER C C 13 175.091 0.300 . 1 . . . . 25 SER C . 11100 1 208 . 1 1 25 25 SER CA C 13 60.475 0.300 . 1 . . . . 25 SER CA . 11100 1 209 . 1 1 25 25 SER CB C 13 63.137 0.300 . 1 . . . . 25 SER CB . 11100 1 210 . 1 1 26 26 ASN H H 1 7.669 0.030 . 1 . . . . 26 ASN H . 11100 1 211 . 1 1 26 26 ASN HA H 1 4.927 0.030 . 1 . . . . 26 ASN HA . 11100 1 212 . 1 1 26 26 ASN HB2 H 1 3.201 0.030 . 2 . . . . 26 ASN HB2 . 11100 1 213 . 1 1 26 26 ASN HB3 H 1 2.677 0.030 . 2 . . . . 26 ASN HB3 . 11100 1 214 . 1 1 26 26 ASN HD21 H 1 7.639 0.030 . 2 . . . . 26 ASN HD21 . 11100 1 215 . 1 1 26 26 ASN HD22 H 1 6.678 0.030 . 2 . . . . 26 ASN HD22 . 11100 1 216 . 1 1 26 26 ASN C C 13 176.820 0.300 . 1 . . . . 26 ASN C . 11100 1 217 . 1 1 26 26 ASN CA C 13 52.439 0.300 . 1 . . . . 26 ASN CA . 11100 1 218 . 1 1 26 26 ASN CB C 13 39.916 0.300 . 1 . . . . 26 ASN CB . 11100 1 219 . 1 1 26 26 ASN N N 15 117.526 0.300 . 1 . . . . 26 ASN N . 11100 1 220 . 1 1 26 26 ASN ND2 N 15 105.905 0.300 . 1 . . . . 26 ASN ND2 . 11100 1 221 . 1 1 27 27 PHE H H 1 8.220 0.030 . 1 . . . . 27 PHE H . 11100 1 222 . 1 1 27 27 PHE HA H 1 3.431 0.030 . 1 . . . . 27 PHE HA . 11100 1 223 . 1 1 27 27 PHE HB2 H 1 3.040 0.030 . 2 . . . . 27 PHE HB2 . 11100 1 224 . 1 1 27 27 PHE HB3 H 1 2.960 0.030 . 2 . . . . 27 PHE HB3 . 11100 1 225 . 1 1 27 27 PHE HD1 H 1 6.787 0.030 . 1 . . . . 27 PHE HD1 . 11100 1 226 . 1 1 27 27 PHE HD2 H 1 6.787 0.030 . 1 . . . . 27 PHE HD2 . 11100 1 227 . 1 1 27 27 PHE HE1 H 1 6.741 0.030 . 1 . . . . 27 PHE HE1 . 11100 1 228 . 1 1 27 27 PHE HE2 H 1 6.741 0.030 . 1 . . . . 27 PHE HE2 . 11100 1 229 . 1 1 27 27 PHE HZ H 1 6.322 0.030 . 1 . . . . 27 PHE HZ . 11100 1 230 . 1 1 27 27 PHE C C 13 177.168 0.300 . 1 . . . . 27 PHE C . 11100 1 231 . 1 1 27 27 PHE CA C 13 63.889 0.300 . 1 . . . . 27 PHE CA . 11100 1 232 . 1 1 27 27 PHE CB C 13 39.920 0.300 . 1 . . . . 27 PHE CB . 11100 1 233 . 1 1 27 27 PHE CD1 C 13 131.835 0.300 . 1 . . . . 27 PHE CD1 . 11100 1 234 . 1 1 27 27 PHE CD2 C 13 131.835 0.300 . 1 . . . . 27 PHE CD2 . 11100 1 235 . 1 1 27 27 PHE CE1 C 13 130.404 0.300 . 1 . . . . 27 PHE CE1 . 11100 1 236 . 1 1 27 27 PHE CE2 C 13 130.404 0.300 . 1 . . . . 27 PHE CE2 . 11100 1 237 . 1 1 27 27 PHE CZ C 13 128.790 0.300 . 1 . . . . 27 PHE CZ . 11100 1 238 . 1 1 27 27 PHE N N 15 122.654 0.300 . 1 . . . . 27 PHE N . 11100 1 239 . 1 1 28 28 ASN H H 1 8.812 0.030 . 1 . . . . 28 ASN H . 11100 1 240 . 1 1 28 28 ASN HA H 1 4.095 0.030 . 1 . . . . 28 ASN HA . 11100 1 241 . 1 1 28 28 ASN HB2 H 1 2.802 0.030 . 2 . . . . 28 ASN HB2 . 11100 1 242 . 1 1 28 28 ASN HB3 H 1 2.667 0.030 . 2 . . . . 28 ASN HB3 . 11100 1 243 . 1 1 28 28 ASN HD21 H 1 7.752 0.030 . 2 . . . . 28 ASN HD21 . 11100 1 244 . 1 1 28 28 ASN HD22 H 1 6.975 0.030 . 2 . . . . 28 ASN HD22 . 11100 1 245 . 1 1 28 28 ASN C C 13 175.985 0.300 . 1 . . . . 28 ASN C . 11100 1 246 . 1 1 28 28 ASN CA C 13 57.148 0.300 . 1 . . . . 28 ASN CA . 11100 1 247 . 1 1 28 28 ASN CB C 13 38.577 0.300 . 1 . . . . 28 ASN CB . 11100 1 248 . 1 1 28 28 ASN N N 15 116.770 0.300 . 1 . . . . 28 ASN N . 11100 1 249 . 1 1 28 28 ASN ND2 N 15 112.911 0.300 . 1 . . . . 28 ASN ND2 . 11100 1 250 . 1 1 29 29 ARG H H 1 8.053 0.030 . 1 . . . . 29 ARG H . 11100 1 251 . 1 1 29 29 ARG HA H 1 3.779 0.030 . 1 . . . . 29 ARG HA . 11100 1 252 . 1 1 29 29 ARG HB2 H 1 1.609 0.030 . 2 . . . . 29 ARG HB2 . 11100 1 253 . 1 1 29 29 ARG HB3 H 1 1.790 0.030 . 2 . . . . 29 ARG HB3 . 11100 1 254 . 1 1 29 29 ARG HD2 H 1 3.229 0.030 . 2 . . . . 29 ARG HD2 . 11100 1 255 . 1 1 29 29 ARG HD3 H 1 3.172 0.030 . 2 . . . . 29 ARG HD3 . 11100 1 256 . 1 1 29 29 ARG HG2 H 1 1.535 0.030 . 1 . . . . 29 ARG HG2 . 11100 1 257 . 1 1 29 29 ARG HG3 H 1 1.535 0.030 . 1 . . . . 29 ARG HG3 . 11100 1 258 . 1 1 29 29 ARG C C 13 177.149 0.300 . 1 . . . . 29 ARG C . 11100 1 259 . 1 1 29 29 ARG CA C 13 58.717 0.300 . 1 . . . . 29 ARG CA . 11100 1 260 . 1 1 29 29 ARG CB C 13 30.197 0.300 . 1 . . . . 29 ARG CB . 11100 1 261 . 1 1 29 29 ARG CD C 13 43.283 0.300 . 1 . . . . 29 ARG CD . 11100 1 262 . 1 1 29 29 ARG CG C 13 27.053 0.300 . 1 . . . . 29 ARG CG . 11100 1 263 . 1 1 29 29 ARG N N 15 117.289 0.300 . 1 . . . . 29 ARG N . 11100 1 264 . 1 1 30 30 GLU H H 1 7.960 0.030 . 1 . . . . 30 GLU H . 11100 1 265 . 1 1 30 30 GLU HA H 1 4.038 0.030 . 1 . . . . 30 GLU HA . 11100 1 266 . 1 1 30 30 GLU HB2 H 1 1.962 0.030 . 2 . . . . 30 GLU HB2 . 11100 1 267 . 1 1 30 30 GLU HB3 H 1 1.199 0.030 . 2 . . . . 30 GLU HB3 . 11100 1 268 . 1 1 30 30 GLU HG2 H 1 2.205 0.030 . 2 . . . . 30 GLU HG2 . 11100 1 269 . 1 1 30 30 GLU HG3 H 1 2.050 0.030 . 2 . . . . 30 GLU HG3 . 11100 1 270 . 1 1 30 30 GLU C C 13 176.200 0.300 . 1 . . . . 30 GLU C . 11100 1 271 . 1 1 30 30 GLU CA C 13 58.069 0.300 . 1 . . . . 30 GLU CA . 11100 1 272 . 1 1 30 30 GLU CB C 13 29.704 0.300 . 1 . . . . 30 GLU CB . 11100 1 273 . 1 1 30 30 GLU CG C 13 35.877 0.300 . 1 . . . . 30 GLU CG . 11100 1 274 . 1 1 30 30 GLU N N 15 113.274 0.300 . 1 . . . . 30 GLU N . 11100 1 275 . 1 1 31 31 VAL H H 1 7.230 0.030 . 1 . . . . 31 VAL H . 11100 1 276 . 1 1 31 31 VAL HA H 1 2.334 0.030 . 1 . . . . 31 VAL HA . 11100 1 277 . 1 1 31 31 VAL HB H 1 0.301 0.030 . 1 . . . . 31 VAL HB . 11100 1 278 . 1 1 31 31 VAL HG11 H 1 -0.855 0.030 . 1 . . . . 31 VAL HG1 . 11100 1 279 . 1 1 31 31 VAL HG12 H 1 -0.855 0.030 . 1 . . . . 31 VAL HG1 . 11100 1 280 . 1 1 31 31 VAL HG13 H 1 -0.855 0.030 . 1 . . . . 31 VAL HG1 . 11100 1 281 . 1 1 31 31 VAL HG21 H 1 -1.489 0.030 . 1 . . . . 31 VAL HG2 . 11100 1 282 . 1 1 31 31 VAL HG22 H 1 -1.489 0.030 . 1 . . . . 31 VAL HG2 . 11100 1 283 . 1 1 31 31 VAL HG23 H 1 -1.489 0.030 . 1 . . . . 31 VAL HG2 . 11100 1 284 . 1 1 31 31 VAL C C 13 176.999 0.300 . 1 . . . . 31 VAL C . 11100 1 285 . 1 1 31 31 VAL CA C 13 63.402 0.300 . 1 . . . . 31 VAL CA . 11100 1 286 . 1 1 31 31 VAL CB C 13 31.432 0.300 . 1 . . . . 31 VAL CB . 11100 1 287 . 1 1 31 31 VAL CG1 C 13 19.733 0.300 . 2 . . . . 31 VAL CG1 . 11100 1 288 . 1 1 31 31 VAL CG2 C 13 20.281 0.300 . 2 . . . . 31 VAL CG2 . 11100 1 289 . 1 1 31 31 VAL N N 15 113.973 0.300 . 1 . . . . 31 VAL N . 11100 1 290 . 1 1 32 32 ILE H H 1 6.421 0.030 . 1 . . . . 32 ILE H . 11100 1 291 . 1 1 32 32 ILE HA H 1 3.446 0.030 . 1 . . . . 32 ILE HA . 11100 1 292 . 1 1 32 32 ILE HB H 1 2.435 0.030 . 1 . . . . 32 ILE HB . 11100 1 293 . 1 1 32 32 ILE HD11 H 1 0.846 0.030 . 1 . . . . 32 ILE HD1 . 11100 1 294 . 1 1 32 32 ILE HD12 H 1 0.846 0.030 . 1 . . . . 32 ILE HD1 . 11100 1 295 . 1 1 32 32 ILE HD13 H 1 0.846 0.030 . 1 . . . . 32 ILE HD1 . 11100 1 296 . 1 1 32 32 ILE HG12 H 1 1.556 0.030 . 2 . . . . 32 ILE HG12 . 11100 1 297 . 1 1 32 32 ILE HG13 H 1 1.346 0.030 . 2 . . . . 32 ILE HG13 . 11100 1 298 . 1 1 32 32 ILE HG21 H 1 0.891 0.030 . 1 . . . . 32 ILE HG2 . 11100 1 299 . 1 1 32 32 ILE HG22 H 1 0.891 0.030 . 1 . . . . 32 ILE HG2 . 11100 1 300 . 1 1 32 32 ILE HG23 H 1 0.891 0.030 . 1 . . . . 32 ILE HG2 . 11100 1 301 . 1 1 32 32 ILE C C 13 177.855 0.300 . 1 . . . . 32 ILE C . 11100 1 302 . 1 1 32 32 ILE CA C 13 62.272 0.300 . 1 . . . . 32 ILE CA . 11100 1 303 . 1 1 32 32 ILE CB C 13 34.615 0.300 . 1 . . . . 32 ILE CB . 11100 1 304 . 1 1 32 32 ILE CD1 C 13 9.927 0.300 . 1 . . . . 32 ILE CD1 . 11100 1 305 . 1 1 32 32 ILE CG1 C 13 27.601 0.300 . 1 . . . . 32 ILE CG1 . 11100 1 306 . 1 1 32 32 ILE CG2 C 13 17.556 0.300 . 1 . . . . 32 ILE CG2 . 11100 1 307 . 1 1 32 32 ILE N N 15 116.533 0.300 . 1 . . . . 32 ILE N . 11100 1 308 . 1 1 33 33 GLN H H 1 7.717 0.030 . 1 . . . . 33 GLN H . 11100 1 309 . 1 1 33 33 GLN HA H 1 4.257 0.030 . 1 . . . . 33 GLN HA . 11100 1 310 . 1 1 33 33 GLN HB2 H 1 2.312 0.030 . 2 . . . . 33 GLN HB2 . 11100 1 311 . 1 1 33 33 GLN HB3 H 1 1.992 0.030 . 2 . . . . 33 GLN HB3 . 11100 1 312 . 1 1 33 33 GLN HE21 H 1 7.463 0.030 . 2 . . . . 33 GLN HE21 . 11100 1 313 . 1 1 33 33 GLN HE22 H 1 6.743 0.030 . 2 . . . . 33 GLN HE22 . 11100 1 314 . 1 1 33 33 GLN HG2 H 1 2.273 0.030 . 1 . . . . 33 GLN HG2 . 11100 1 315 . 1 1 33 33 GLN HG3 H 1 2.273 0.030 . 1 . . . . 33 GLN HG3 . 11100 1 316 . 1 1 33 33 GLN C C 13 175.427 0.300 . 1 . . . . 33 GLN C . 11100 1 317 . 1 1 33 33 GLN CA C 13 55.225 0.300 . 1 . . . . 33 GLN CA . 11100 1 318 . 1 1 33 33 GLN CB C 13 27.581 0.300 . 1 . . . . 33 GLN CB . 11100 1 319 . 1 1 33 33 GLN CG C 13 34.024 0.300 . 1 . . . . 33 GLN CG . 11100 1 320 . 1 1 33 33 GLN N N 15 114.839 0.300 . 1 . . . . 33 GLN N . 11100 1 321 . 1 1 33 33 GLN NE2 N 15 111.698 0.300 . 1 . . . . 33 GLN NE2 . 11100 1 322 . 1 1 34 34 SER H H 1 7.114 0.030 . 1 . . . . 34 SER H . 11100 1 323 . 1 1 34 34 SER HA H 1 4.583 0.030 . 1 . . . . 34 SER HA . 11100 1 324 . 1 1 34 34 SER HB2 H 1 4.215 0.030 . 2 . . . . 34 SER HB2 . 11100 1 325 . 1 1 34 34 SER HB3 H 1 3.965 0.030 . 2 . . . . 34 SER HB3 . 11100 1 326 . 1 1 34 34 SER C C 13 174.793 0.300 . 1 . . . . 34 SER C . 11100 1 327 . 1 1 34 34 SER CA C 13 57.602 0.300 . 1 . . . . 34 SER CA . 11100 1 328 . 1 1 34 34 SER CB C 13 66.026 0.300 . 1 . . . . 34 SER CB . 11100 1 329 . 1 1 34 34 SER N N 15 113.199 0.300 . 1 . . . . 34 SER N . 11100 1 330 . 1 1 35 35 ASP H H 1 8.632 0.030 . 1 . . . . 35 ASP H . 11100 1 331 . 1 1 35 35 ASP HA H 1 4.886 0.030 . 1 . . . . 35 ASP HA . 11100 1 332 . 1 1 35 35 ASP HB2 H 1 2.737 0.030 . 1 . . . . 35 ASP HB2 . 11100 1 333 . 1 1 35 35 ASP HB3 H 1 2.737 0.030 . 1 . . . . 35 ASP HB3 . 11100 1 334 . 1 1 35 35 ASP C C 13 177.227 0.300 . 1 . . . . 35 ASP C . 11100 1 335 . 1 1 35 35 ASP CA C 13 54.040 0.300 . 1 . . . . 35 ASP CA . 11100 1 336 . 1 1 35 35 ASP CB C 13 41.328 0.300 . 1 . . . . 35 ASP CB . 11100 1 337 . 1 1 35 35 ASP N N 15 122.803 0.300 . 1 . . . . 35 ASP N . 11100 1 338 . 1 1 36 36 GLY H H 1 8.382 0.030 . 1 . . . . 36 GLY H . 11100 1 339 . 1 1 36 36 GLY HA2 H 1 4.224 0.030 . 2 . . . . 36 GLY HA2 . 11100 1 340 . 1 1 36 36 GLY HA3 H 1 3.713 0.030 . 2 . . . . 36 GLY HA3 . 11100 1 341 . 1 1 36 36 GLY C C 13 173.063 0.300 . 1 . . . . 36 GLY C . 11100 1 342 . 1 1 36 36 GLY CA C 13 44.358 0.300 . 1 . . . . 36 GLY CA . 11100 1 343 . 1 1 36 36 GLY N N 15 108.856 0.300 . 1 . . . . 36 GLY N . 11100 1 344 . 1 1 37 37 LEU H H 1 8.358 0.030 . 1 . . . . 37 LEU H . 11100 1 345 . 1 1 37 37 LEU HA H 1 4.747 0.030 . 1 . . . . 37 LEU HA . 11100 1 346 . 1 1 37 37 LEU HB2 H 1 1.709 0.030 . 2 . . . . 37 LEU HB2 . 11100 1 347 . 1 1 37 37 LEU HB3 H 1 1.548 0.030 . 2 . . . . 37 LEU HB3 . 11100 1 348 . 1 1 37 37 LEU HD11 H 1 0.906 0.030 . 1 . . . . 37 LEU HD1 . 11100 1 349 . 1 1 37 37 LEU HD12 H 1 0.906 0.030 . 1 . . . . 37 LEU HD1 . 11100 1 350 . 1 1 37 37 LEU HD13 H 1 0.906 0.030 . 1 . . . . 37 LEU HD1 . 11100 1 351 . 1 1 37 37 LEU HD21 H 1 0.822 0.030 . 1 . . . . 37 LEU HD2 . 11100 1 352 . 1 1 37 37 LEU HD22 H 1 0.822 0.030 . 1 . . . . 37 LEU HD2 . 11100 1 353 . 1 1 37 37 LEU HD23 H 1 0.822 0.030 . 1 . . . . 37 LEU HD2 . 11100 1 354 . 1 1 37 37 LEU HG H 1 1.498 0.030 . 1 . . . . 37 LEU HG . 11100 1 355 . 1 1 37 37 LEU C C 13 175.808 0.300 . 1 . . . . 37 LEU C . 11100 1 356 . 1 1 37 37 LEU CA C 13 55.691 0.300 . 1 . . . . 37 LEU CA . 11100 1 357 . 1 1 37 37 LEU CB C 13 43.427 0.300 . 1 . . . . 37 LEU CB . 11100 1 358 . 1 1 37 37 LEU CD1 C 13 25.067 0.300 . 2 . . . . 37 LEU CD1 . 11100 1 359 . 1 1 37 37 LEU CD2 C 13 26.968 0.300 . 2 . . . . 37 LEU CD2 . 11100 1 360 . 1 1 37 37 LEU CG C 13 27.605 0.300 . 1 . . . . 37 LEU CG . 11100 1 361 . 1 1 37 37 LEU N N 15 123.495 0.300 . 1 . . . . 37 LEU N . 11100 1 362 . 1 1 38 38 TRP H H 1 8.681 0.030 . 1 . . . . 38 TRP H . 11100 1 363 . 1 1 38 38 TRP HA H 1 5.517 0.030 . 1 . . . . 38 TRP HA . 11100 1 364 . 1 1 38 38 TRP HB2 H 1 3.031 0.030 . 2 . . . . 38 TRP HB2 . 11100 1 365 . 1 1 38 38 TRP HB3 H 1 2.830 0.030 . 2 . . . . 38 TRP HB3 . 11100 1 366 . 1 1 38 38 TRP HD1 H 1 6.992 0.030 . 1 . . . . 38 TRP HD1 . 11100 1 367 . 1 1 38 38 TRP HE1 H 1 9.100 0.030 . 1 . . . . 38 TRP HE1 . 11100 1 368 . 1 1 38 38 TRP HE3 H 1 7.020 0.030 . 1 . . . . 38 TRP HE3 . 11100 1 369 . 1 1 38 38 TRP HH2 H 1 6.919 0.030 . 1 . . . . 38 TRP HH2 . 11100 1 370 . 1 1 38 38 TRP HZ2 H 1 7.348 0.030 . 1 . . . . 38 TRP HZ2 . 11100 1 371 . 1 1 38 38 TRP HZ3 H 1 6.493 0.030 . 1 . . . . 38 TRP HZ3 . 11100 1 372 . 1 1 38 38 TRP C C 13 176.077 0.300 . 1 . . . . 38 TRP C . 11100 1 373 . 1 1 38 38 TRP CA C 13 55.985 0.300 . 1 . . . . 38 TRP CA . 11100 1 374 . 1 1 38 38 TRP CB C 13 34.241 0.300 . 1 . . . . 38 TRP CB . 11100 1 375 . 1 1 38 38 TRP CD1 C 13 124.434 0.300 . 1 . . . . 38 TRP CD1 . 11100 1 376 . 1 1 38 38 TRP CE3 C 13 119.669 0.300 . 1 . . . . 38 TRP CE3 . 11100 1 377 . 1 1 38 38 TRP CH2 C 13 124.347 0.300 . 1 . . . . 38 TRP CH2 . 11100 1 378 . 1 1 38 38 TRP CZ2 C 13 116.625 0.300 . 1 . . . . 38 TRP CZ2 . 11100 1 379 . 1 1 38 38 TRP CZ3 C 13 120.943 0.300 . 1 . . . . 38 TRP CZ3 . 11100 1 380 . 1 1 38 38 TRP N N 15 125.395 0.300 . 1 . . . . 38 TRP N . 11100 1 381 . 1 1 38 38 TRP NE1 N 15 128.914 0.300 . 1 . . . . 38 TRP NE1 . 11100 1 382 . 1 1 39 39 LEU H H 1 8.890 0.030 . 1 . . . . 39 LEU H . 11100 1 383 . 1 1 39 39 LEU HA H 1 5.329 0.030 . 1 . . . . 39 LEU HA . 11100 1 384 . 1 1 39 39 LEU HB2 H 1 1.698 0.030 . 2 . . . . 39 LEU HB2 . 11100 1 385 . 1 1 39 39 LEU HB3 H 1 1.629 0.030 . 2 . . . . 39 LEU HB3 . 11100 1 386 . 1 1 39 39 LEU HD11 H 1 0.519 0.030 . 1 . . . . 39 LEU HD1 . 11100 1 387 . 1 1 39 39 LEU HD12 H 1 0.519 0.030 . 1 . . . . 39 LEU HD1 . 11100 1 388 . 1 1 39 39 LEU HD13 H 1 0.519 0.030 . 1 . . . . 39 LEU HD1 . 11100 1 389 . 1 1 39 39 LEU HD21 H 1 0.671 0.030 . 1 . . . . 39 LEU HD2 . 11100 1 390 . 1 1 39 39 LEU HD22 H 1 0.671 0.030 . 1 . . . . 39 LEU HD2 . 11100 1 391 . 1 1 39 39 LEU HD23 H 1 0.671 0.030 . 1 . . . . 39 LEU HD2 . 11100 1 392 . 1 1 39 39 LEU HG H 1 1.554 0.030 . 1 . . . . 39 LEU HG . 11100 1 393 . 1 1 39 39 LEU C C 13 176.710 0.300 . 1 . . . . 39 LEU C . 11100 1 394 . 1 1 39 39 LEU CA C 13 54.121 0.300 . 1 . . . . 39 LEU CA . 11100 1 395 . 1 1 39 39 LEU CB C 13 45.002 0.300 . 1 . . . . 39 LEU CB . 11100 1 396 . 1 1 39 39 LEU CD1 C 13 25.266 0.300 . 2 . . . . 39 LEU CD1 . 11100 1 397 . 1 1 39 39 LEU CD2 C 13 24.727 0.300 . 2 . . . . 39 LEU CD2 . 11100 1 398 . 1 1 39 39 LEU CG C 13 28.453 0.300 . 1 . . . . 39 LEU CG . 11100 1 399 . 1 1 39 39 LEU N N 15 121.471 0.300 . 1 . . . . 39 LEU N . 11100 1 400 . 1 1 40 40 VAL H H 1 9.486 0.030 . 1 . . . . 40 VAL H . 11100 1 401 . 1 1 40 40 VAL HA H 1 4.690 0.030 . 1 . . . . 40 VAL HA . 11100 1 402 . 1 1 40 40 VAL HB H 1 2.026 0.030 . 1 . . . . 40 VAL HB . 11100 1 403 . 1 1 40 40 VAL HG11 H 1 0.255 0.030 . 1 . . . . 40 VAL HG1 . 11100 1 404 . 1 1 40 40 VAL HG12 H 1 0.255 0.030 . 1 . . . . 40 VAL HG1 . 11100 1 405 . 1 1 40 40 VAL HG13 H 1 0.255 0.030 . 1 . . . . 40 VAL HG1 . 11100 1 406 . 1 1 40 40 VAL HG21 H 1 0.681 0.030 . 1 . . . . 40 VAL HG2 . 11100 1 407 . 1 1 40 40 VAL HG22 H 1 0.681 0.030 . 1 . . . . 40 VAL HG2 . 11100 1 408 . 1 1 40 40 VAL HG23 H 1 0.681 0.030 . 1 . . . . 40 VAL HG2 . 11100 1 409 . 1 1 40 40 VAL C C 13 173.610 0.300 . 1 . . . . 40 VAL C . 11100 1 410 . 1 1 40 40 VAL CA C 13 61.684 0.300 . 1 . . . . 40 VAL CA . 11100 1 411 . 1 1 40 40 VAL CB C 13 36.145 0.300 . 1 . . . . 40 VAL CB . 11100 1 412 . 1 1 40 40 VAL CG1 C 13 22.812 0.300 . 2 . . . . 40 VAL CG1 . 11100 1 413 . 1 1 40 40 VAL CG2 C 13 22.558 0.300 . 2 . . . . 40 VAL CG2 . 11100 1 414 . 1 1 40 40 VAL N N 15 120.472 0.300 . 1 . . . . 40 VAL N . 11100 1 415 . 1 1 41 41 GLU H H 1 8.149 0.030 . 1 . . . . 41 GLU H . 11100 1 416 . 1 1 41 41 GLU HA H 1 4.695 0.030 . 1 . . . . 41 GLU HA . 11100 1 417 . 1 1 41 41 GLU HB2 H 1 1.723 0.030 . 2 . . . . 41 GLU HB2 . 11100 1 418 . 1 1 41 41 GLU HB3 H 1 0.227 0.030 . 2 . . . . 41 GLU HB3 . 11100 1 419 . 1 1 41 41 GLU HG2 H 1 1.520 0.030 . 2 . . . . 41 GLU HG2 . 11100 1 420 . 1 1 41 41 GLU HG3 H 1 1.689 0.030 . 2 . . . . 41 GLU HG3 . 11100 1 421 . 1 1 41 41 GLU C C 13 174.367 0.300 . 1 . . . . 41 GLU C . 11100 1 422 . 1 1 41 41 GLU CA C 13 53.723 0.300 . 1 . . . . 41 GLU CA . 11100 1 423 . 1 1 41 41 GLU CB C 13 27.201 0.300 . 1 . . . . 41 GLU CB . 11100 1 424 . 1 1 41 41 GLU CG C 13 31.193 0.300 . 1 . . . . 41 GLU CG . 11100 1 425 . 1 1 41 41 GLU N N 15 128.241 0.300 . 1 . . . . 41 GLU N . 11100 1 426 . 1 1 42 42 PHE H H 1 10.005 0.030 . 1 . . . . 42 PHE H . 11100 1 427 . 1 1 42 42 PHE HA H 1 5.418 0.030 . 1 . . . . 42 PHE HA . 11100 1 428 . 1 1 42 42 PHE HB2 H 1 3.351 0.030 . 2 . . . . 42 PHE HB2 . 11100 1 429 . 1 1 42 42 PHE HB3 H 1 2.777 0.030 . 2 . . . . 42 PHE HB3 . 11100 1 430 . 1 1 42 42 PHE HD1 H 1 7.179 0.030 . 1 . . . . 42 PHE HD1 . 11100 1 431 . 1 1 42 42 PHE HD2 H 1 7.179 0.030 . 1 . . . . 42 PHE HD2 . 11100 1 432 . 1 1 42 42 PHE HE1 H 1 6.966 0.030 . 1 . . . . 42 PHE HE1 . 11100 1 433 . 1 1 42 42 PHE HE2 H 1 6.966 0.030 . 1 . . . . 42 PHE HE2 . 11100 1 434 . 1 1 42 42 PHE HZ H 1 6.858 0.030 . 1 . . . . 42 PHE HZ . 11100 1 435 . 1 1 42 42 PHE C C 13 175.024 0.300 . 1 . . . . 42 PHE C . 11100 1 436 . 1 1 42 42 PHE CA C 13 57.144 0.300 . 1 . . . . 42 PHE CA . 11100 1 437 . 1 1 42 42 PHE CB C 13 40.005 0.300 . 1 . . . . 42 PHE CB . 11100 1 438 . 1 1 42 42 PHE CD1 C 13 132.175 0.300 . 1 . . . . 42 PHE CD1 . 11100 1 439 . 1 1 42 42 PHE CD2 C 13 132.175 0.300 . 1 . . . . 42 PHE CD2 . 11100 1 440 . 1 1 42 42 PHE CE1 C 13 130.352 0.300 . 1 . . . . 42 PHE CE1 . 11100 1 441 . 1 1 42 42 PHE CE2 C 13 130.352 0.300 . 1 . . . . 42 PHE CE2 . 11100 1 442 . 1 1 42 42 PHE CZ C 13 128.977 0.300 . 1 . . . . 42 PHE CZ . 11100 1 443 . 1 1 42 42 PHE N N 15 129.529 0.300 . 1 . . . . 42 PHE N . 11100 1 444 . 1 1 43 43 TYR H H 1 9.116 0.030 . 1 . . . . 43 TYR H . 11100 1 445 . 1 1 43 43 TYR HA H 1 5.237 0.030 . 1 . . . . 43 TYR HA . 11100 1 446 . 1 1 43 43 TYR HB2 H 1 2.678 0.030 . 2 . . . . 43 TYR HB2 . 11100 1 447 . 1 1 43 43 TYR HB3 H 1 2.434 0.030 . 2 . . . . 43 TYR HB3 . 11100 1 448 . 1 1 43 43 TYR HD1 H 1 6.416 0.030 . 1 . . . . 43 TYR HD1 . 11100 1 449 . 1 1 43 43 TYR HD2 H 1 6.416 0.030 . 1 . . . . 43 TYR HD2 . 11100 1 450 . 1 1 43 43 TYR HE1 H 1 6.550 0.030 . 1 . . . . 43 TYR HE1 . 11100 1 451 . 1 1 43 43 TYR HE2 H 1 6.550 0.030 . 1 . . . . 43 TYR HE2 . 11100 1 452 . 1 1 43 43 TYR C C 13 170.656 0.300 . 1 . . . . 43 TYR C . 11100 1 453 . 1 1 43 43 TYR CA C 13 55.251 0.300 . 1 . . . . 43 TYR CA . 11100 1 454 . 1 1 43 43 TYR CB C 13 43.419 0.300 . 1 . . . . 43 TYR CB . 11100 1 455 . 1 1 43 43 TYR CD1 C 13 133.363 0.300 . 1 . . . . 43 TYR CD1 . 11100 1 456 . 1 1 43 43 TYR CD2 C 13 133.363 0.300 . 1 . . . . 43 TYR CD2 . 11100 1 457 . 1 1 43 43 TYR CE1 C 13 117.129 0.300 . 1 . . . . 43 TYR CE1 . 11100 1 458 . 1 1 43 43 TYR CE2 C 13 117.129 0.300 . 1 . . . . 43 TYR CE2 . 11100 1 459 . 1 1 43 43 TYR N N 15 121.295 0.300 . 1 . . . . 43 TYR N . 11100 1 460 . 1 1 44 44 ALA H H 1 7.211 0.030 . 1 . . . . 44 ALA H . 11100 1 461 . 1 1 44 44 ALA HA H 1 4.194 0.030 . 1 . . . . 44 ALA HA . 11100 1 462 . 1 1 44 44 ALA HB1 H 1 -0.547 0.030 . 1 . . . . 44 ALA HB . 11100 1 463 . 1 1 44 44 ALA HB2 H 1 -0.547 0.030 . 1 . . . . 44 ALA HB . 11100 1 464 . 1 1 44 44 ALA HB3 H 1 -0.547 0.030 . 1 . . . . 44 ALA HB . 11100 1 465 . 1 1 44 44 ALA C C 13 176.655 0.300 . 1 . . . . 44 ALA C . 11100 1 466 . 1 1 44 44 ALA CA C 13 48.229 0.300 . 1 . . . . 44 ALA CA . 11100 1 467 . 1 1 44 44 ALA CB C 13 20.046 0.300 . 1 . . . . 44 ALA CB . 11100 1 468 . 1 1 44 44 ALA N N 15 119.540 0.300 . 1 . . . . 44 ALA N . 11100 1 469 . 1 1 45 45 PRO HA H 1 4.084 0.030 . 1 . . . . 45 PRO HA . 11100 1 470 . 1 1 45 45 PRO HB2 H 1 2.185 0.030 . 2 . . . . 45 PRO HB2 . 11100 1 471 . 1 1 45 45 PRO HB3 H 1 2.085 0.030 . 2 . . . . 45 PRO HB3 . 11100 1 472 . 1 1 45 45 PRO HD2 H 1 3.543 0.030 . 2 . . . . 45 PRO HD2 . 11100 1 473 . 1 1 45 45 PRO HD3 H 1 3.389 0.030 . 2 . . . . 45 PRO HD3 . 11100 1 474 . 1 1 45 45 PRO HG2 H 1 2.277 0.030 . 2 . . . . 45 PRO HG2 . 11100 1 475 . 1 1 45 45 PRO HG3 H 1 2.094 0.030 . 2 . . . . 45 PRO HG3 . 11100 1 476 . 1 1 45 45 PRO C C 13 175.122 0.300 . 1 . . . . 45 PRO C . 11100 1 477 . 1 1 45 45 PRO CA C 13 64.728 0.300 . 1 . . . . 45 PRO CA . 11100 1 478 . 1 1 45 45 PRO CB C 13 31.881 0.300 . 1 . . . . 45 PRO CB . 11100 1 479 . 1 1 45 45 PRO CD C 13 50.774 0.300 . 1 . . . . 45 PRO CD . 11100 1 480 . 1 1 45 45 PRO CG C 13 28.482 0.300 . 1 . . . . 45 PRO CG . 11100 1 481 . 1 1 46 46 TRP H H 1 6.061 0.030 . 1 . . . . 46 TRP H . 11100 1 482 . 1 1 46 46 TRP HA H 1 4.377 0.030 . 1 . . . . 46 TRP HA . 11100 1 483 . 1 1 46 46 TRP HB2 H 1 3.607 0.030 . 2 . . . . 46 TRP HB2 . 11100 1 484 . 1 1 46 46 TRP HB3 H 1 3.129 0.030 . 2 . . . . 46 TRP HB3 . 11100 1 485 . 1 1 46 46 TRP HD1 H 1 7.285 0.030 . 1 . . . . 46 TRP HD1 . 11100 1 486 . 1 1 46 46 TRP HE1 H 1 10.235 0.030 . 1 . . . . 46 TRP HE1 . 11100 1 487 . 1 1 46 46 TRP HE3 H 1 7.325 0.030 . 1 . . . . 46 TRP HE3 . 11100 1 488 . 1 1 46 46 TRP HH2 H 1 7.454 0.030 . 1 . . . . 46 TRP HH2 . 11100 1 489 . 1 1 46 46 TRP HZ2 H 1 7.518 0.030 . 1 . . . . 46 TRP HZ2 . 11100 1 490 . 1 1 46 46 TRP HZ3 H 1 7.301 0.030 . 1 . . . . 46 TRP HZ3 . 11100 1 491 . 1 1 46 46 TRP C C 13 175.230 0.300 . 1 . . . . 46 TRP C . 11100 1 492 . 1 1 46 46 TRP CA C 13 53.529 0.300 . 1 . . . . 46 TRP CA . 11100 1 493 . 1 1 46 46 TRP CB C 13 29.454 0.300 . 1 . . . . 46 TRP CB . 11100 1 494 . 1 1 46 46 TRP CD1 C 13 128.195 0.300 . 1 . . . . 46 TRP CD1 . 11100 1 495 . 1 1 46 46 TRP CE3 C 13 121.283 0.300 . 1 . . . . 46 TRP CE3 . 11100 1 496 . 1 1 46 46 TRP CH2 C 13 125.579 0.300 . 1 . . . . 46 TRP CH2 . 11100 1 497 . 1 1 46 46 TRP CZ2 C 13 115.034 0.300 . 1 . . . . 46 TRP CZ2 . 11100 1 498 . 1 1 46 46 TRP CZ3 C 13 122.270 0.300 . 1 . . . . 46 TRP CZ3 . 11100 1 499 . 1 1 46 46 TRP N N 15 110.580 0.300 . 1 . . . . 46 TRP N . 11100 1 500 . 1 1 46 46 TRP NE1 N 15 131.677 0.300 . 1 . . . . 46 TRP NE1 . 11100 1 501 . 1 1 47 47 CYS H H 1 6.605 0.030 . 1 . . . . 47 CYS H . 11100 1 502 . 1 1 47 47 CYS HA H 1 4.355 0.030 . 1 . . . . 47 CYS HA . 11100 1 503 . 1 1 47 47 CYS HB2 H 1 2.636 0.030 . 2 . . . . 47 CYS HB2 . 11100 1 504 . 1 1 47 47 CYS HB3 H 1 2.139 0.030 . 2 . . . . 47 CYS HB3 . 11100 1 505 . 1 1 47 47 CYS C C 13 177.694 0.300 . 1 . . . . 47 CYS C . 11100 1 506 . 1 1 47 47 CYS CA C 13 59.516 0.300 . 1 . . . . 47 CYS CA . 11100 1 507 . 1 1 47 47 CYS CB C 13 29.218 0.300 . 1 . . . . 47 CYS CB . 11100 1 508 . 1 1 47 47 CYS N N 15 126.650 0.300 . 1 . . . . 47 CYS N . 11100 1 509 . 1 1 48 48 GLY H H 1 8.990 0.030 . 1 . . . . 48 GLY H . 11100 1 510 . 1 1 48 48 GLY HA2 H 1 3.935 0.030 . 2 . . . . 48 GLY HA2 . 11100 1 511 . 1 1 48 48 GLY HA3 H 1 3.712 0.030 . 2 . . . . 48 GLY HA3 . 11100 1 512 . 1 1 48 48 GLY C C 13 176.760 0.300 . 1 . . . . 48 GLY C . 11100 1 513 . 1 1 48 48 GLY CA C 13 47.553 0.300 . 1 . . . . 48 GLY CA . 11100 1 514 . 1 1 48 48 GLY N N 15 119.152 0.300 . 1 . . . . 48 GLY N . 11100 1 515 . 1 1 49 49 HIS H H 1 9.168 0.030 . 1 . . . . 49 HIS H . 11100 1 516 . 1 1 49 49 HIS HA H 1 4.503 0.030 . 1 . . . . 49 HIS HA . 11100 1 517 . 1 1 49 49 HIS HB2 H 1 3.413 0.030 . 2 . . . . 49 HIS HB2 . 11100 1 518 . 1 1 49 49 HIS HB3 H 1 3.002 0.030 . 2 . . . . 49 HIS HB3 . 11100 1 519 . 1 1 49 49 HIS HD2 H 1 7.299 0.030 . 1 . . . . 49 HIS HD2 . 11100 1 520 . 1 1 49 49 HIS C C 13 180.426 0.300 . 1 . . . . 49 HIS C . 11100 1 521 . 1 1 49 49 HIS CA C 13 59.458 0.300 . 1 . . . . 49 HIS CA . 11100 1 522 . 1 1 49 49 HIS CB C 13 31.235 0.300 . 1 . . . . 49 HIS CB . 11100 1 523 . 1 1 49 49 HIS CD2 C 13 119.764 0.300 . 1 . . . . 49 HIS CD2 . 11100 1 524 . 1 1 49 49 HIS N N 15 125.998 0.300 . 1 . . . . 49 HIS N . 11100 1 525 . 1 1 50 50 CYS H H 1 9.769 0.030 . 1 . . . . 50 CYS H . 11100 1 526 . 1 1 50 50 CYS HA H 1 3.899 0.030 . 1 . . . . 50 CYS HA . 11100 1 527 . 1 1 50 50 CYS HB2 H 1 3.548 0.030 . 2 . . . . 50 CYS HB2 . 11100 1 528 . 1 1 50 50 CYS HB3 H 1 2.347 0.030 . 2 . . . . 50 CYS HB3 . 11100 1 529 . 1 1 50 50 CYS C C 13 178.791 0.300 . 1 . . . . 50 CYS C . 11100 1 530 . 1 1 50 50 CYS CA C 13 64.238 0.300 . 1 . . . . 50 CYS CA . 11100 1 531 . 1 1 50 50 CYS CB C 13 28.828 0.300 . 1 . . . . 50 CYS CB . 11100 1 532 . 1 1 50 50 CYS N N 15 127.407 0.300 . 1 . . . . 50 CYS N . 11100 1 533 . 1 1 51 51 GLN H H 1 8.993 0.030 . 1 . . . . 51 GLN H . 11100 1 534 . 1 1 51 51 GLN HA H 1 3.833 0.030 . 1 . . . . 51 GLN HA . 11100 1 535 . 1 1 51 51 GLN HB2 H 1 2.092 0.030 . 1 . . . . 51 GLN HB2 . 11100 1 536 . 1 1 51 51 GLN HB3 H 1 2.092 0.030 . 1 . . . . 51 GLN HB3 . 11100 1 537 . 1 1 51 51 GLN HE21 H 1 7.463 0.030 . 2 . . . . 51 GLN HE21 . 11100 1 538 . 1 1 51 51 GLN HE22 H 1 6.789 0.030 . 2 . . . . 51 GLN HE22 . 11100 1 539 . 1 1 51 51 GLN HG2 H 1 2.491 0.030 . 2 . . . . 51 GLN HG2 . 11100 1 540 . 1 1 51 51 GLN HG3 H 1 2.385 0.030 . 2 . . . . 51 GLN HG3 . 11100 1 541 . 1 1 51 51 GLN C C 13 179.180 0.300 . 1 . . . . 51 GLN C . 11100 1 542 . 1 1 51 51 GLN CA C 13 59.693 0.300 . 1 . . . . 51 GLN CA . 11100 1 543 . 1 1 51 51 GLN CB C 13 27.197 0.300 . 1 . . . . 51 GLN CB . 11100 1 544 . 1 1 51 51 GLN CG C 13 33.180 0.300 . 1 . . . . 51 GLN CG . 11100 1 545 . 1 1 51 51 GLN N N 15 122.354 0.300 . 1 . . . . 51 GLN N . 11100 1 546 . 1 1 51 51 GLN NE2 N 15 109.339 0.300 . 1 . . . . 51 GLN NE2 . 11100 1 547 . 1 1 52 52 ARG H H 1 7.820 0.030 . 1 . . . . 52 ARG H . 11100 1 548 . 1 1 52 52 ARG HA H 1 4.149 0.030 . 1 . . . . 52 ARG HA . 11100 1 549 . 1 1 52 52 ARG HB2 H 1 1.980 0.030 . 1 . . . . 52 ARG HB2 . 11100 1 550 . 1 1 52 52 ARG HB3 H 1 1.980 0.030 . 1 . . . . 52 ARG HB3 . 11100 1 551 . 1 1 52 52 ARG HD2 H 1 3.320 0.030 . 2 . . . . 52 ARG HD2 . 11100 1 552 . 1 1 52 52 ARG HD3 H 1 3.242 0.030 . 2 . . . . 52 ARG HD3 . 11100 1 553 . 1 1 52 52 ARG HG2 H 1 1.715 0.030 . 2 . . . . 52 ARG HG2 . 11100 1 554 . 1 1 52 52 ARG HG3 H 1 1.913 0.030 . 2 . . . . 52 ARG HG3 . 11100 1 555 . 1 1 52 52 ARG C C 13 177.492 0.300 . 1 . . . . 52 ARG C . 11100 1 556 . 1 1 52 52 ARG CA C 13 58.934 0.300 . 1 . . . . 52 ARG CA . 11100 1 557 . 1 1 52 52 ARG CB C 13 30.493 0.300 . 1 . . . . 52 ARG CB . 11100 1 558 . 1 1 52 52 ARG CD C 13 43.333 0.300 . 1 . . . . 52 ARG CD . 11100 1 559 . 1 1 52 52 ARG CG C 13 28.415 0.300 . 1 . . . . 52 ARG CG . 11100 1 560 . 1 1 52 52 ARG N N 15 118.445 0.300 . 1 . . . . 52 ARG N . 11100 1 561 . 1 1 53 53 LEU H H 1 7.455 0.030 . 1 . . . . 53 LEU H . 11100 1 562 . 1 1 53 53 LEU HA H 1 4.472 0.030 . 1 . . . . 53 LEU HA . 11100 1 563 . 1 1 53 53 LEU HB2 H 1 1.888 0.030 . 2 . . . . 53 LEU HB2 . 11100 1 564 . 1 1 53 53 LEU HB3 H 1 1.618 0.030 . 2 . . . . 53 LEU HB3 . 11100 1 565 . 1 1 53 53 LEU HD11 H 1 1.076 0.030 . 1 . . . . 53 LEU HD1 . 11100 1 566 . 1 1 53 53 LEU HD12 H 1 1.076 0.030 . 1 . . . . 53 LEU HD1 . 11100 1 567 . 1 1 53 53 LEU HD13 H 1 1.076 0.030 . 1 . . . . 53 LEU HD1 . 11100 1 568 . 1 1 53 53 LEU HD21 H 1 0.683 0.030 . 1 . . . . 53 LEU HD2 . 11100 1 569 . 1 1 53 53 LEU HD22 H 1 0.683 0.030 . 1 . . . . 53 LEU HD2 . 11100 1 570 . 1 1 53 53 LEU HD23 H 1 0.683 0.030 . 1 . . . . 53 LEU HD2 . 11100 1 571 . 1 1 53 53 LEU HG H 1 1.813 0.030 . 1 . . . . 53 LEU HG . 11100 1 572 . 1 1 53 53 LEU C C 13 177.514 0.300 . 1 . . . . 53 LEU C . 11100 1 573 . 1 1 53 53 LEU CA C 13 55.810 0.300 . 1 . . . . 53 LEU CA . 11100 1 574 . 1 1 53 53 LEU CB C 13 42.448 0.300 . 1 . . . . 53 LEU CB . 11100 1 575 . 1 1 53 53 LEU CD1 C 13 24.341 0.300 . 2 . . . . 53 LEU CD1 . 11100 1 576 . 1 1 53 53 LEU CD2 C 13 26.231 0.300 . 2 . . . . 53 LEU CD2 . 11100 1 577 . 1 1 53 53 LEU CG C 13 27.513 0.300 . 1 . . . . 53 LEU CG . 11100 1 578 . 1 1 53 53 LEU N N 15 118.281 0.300 . 1 . . . . 53 LEU N . 11100 1 579 . 1 1 54 54 THR H H 1 7.541 0.030 . 1 . . . . 54 THR H . 11100 1 580 . 1 1 54 54 THR HA H 1 4.344 0.030 . 1 . . . . 54 THR HA . 11100 1 581 . 1 1 54 54 THR HB H 1 4.310 0.030 . 1 . . . . 54 THR HB . 11100 1 582 . 1 1 54 54 THR HG21 H 1 0.992 0.030 . 1 . . . . 54 THR HG2 . 11100 1 583 . 1 1 54 54 THR HG22 H 1 0.992 0.030 . 1 . . . . 54 THR HG2 . 11100 1 584 . 1 1 54 54 THR HG23 H 1 0.992 0.030 . 1 . . . . 54 THR HG2 . 11100 1 585 . 1 1 54 54 THR C C 13 172.901 0.300 . 1 . . . . 54 THR C . 11100 1 586 . 1 1 54 54 THR CA C 13 66.544 0.300 . 1 . . . . 54 THR CA . 11100 1 587 . 1 1 54 54 THR CB C 13 68.339 0.300 . 1 . . . . 54 THR CB . 11100 1 588 . 1 1 54 54 THR CG2 C 13 22.581 0.300 . 1 . . . . 54 THR CG2 . 11100 1 589 . 1 1 54 54 THR N N 15 116.046 0.300 . 1 . . . . 54 THR N . 11100 1 590 . 1 1 55 55 PRO HA H 1 4.362 0.030 . 1 . . . . 55 PRO HA . 11100 1 591 . 1 1 55 55 PRO HB2 H 1 2.398 0.030 . 2 . . . . 55 PRO HB2 . 11100 1 592 . 1 1 55 55 PRO HB3 H 1 1.985 0.030 . 2 . . . . 55 PRO HB3 . 11100 1 593 . 1 1 55 55 PRO HD2 H 1 3.604 0.030 . 2 . . . . 55 PRO HD2 . 11100 1 594 . 1 1 55 55 PRO HD3 H 1 4.095 0.030 . 2 . . . . 55 PRO HD3 . 11100 1 595 . 1 1 55 55 PRO HG2 H 1 2.151 0.030 . 2 . . . . 55 PRO HG2 . 11100 1 596 . 1 1 55 55 PRO C C 13 180.257 0.300 . 1 . . . . 55 PRO C . 11100 1 597 . 1 1 55 55 PRO CA C 13 65.959 0.300 . 1 . . . . 55 PRO CA . 11100 1 598 . 1 1 55 55 PRO CB C 13 31.080 0.300 . 1 . . . . 55 PRO CB . 11100 1 599 . 1 1 55 55 PRO CD C 13 49.980 0.300 . 1 . . . . 55 PRO CD . 11100 1 600 . 1 1 55 55 PRO CG C 13 28.668 0.300 . 1 . . . . 55 PRO CG . 11100 1 601 . 1 1 56 56 GLU H H 1 7.371 0.030 . 1 . . . . 56 GLU H . 11100 1 602 . 1 1 56 56 GLU HA H 1 4.271 0.030 . 1 . . . . 56 GLU HA . 11100 1 603 . 1 1 56 56 GLU HB2 H 1 2.330 0.030 . 2 . . . . 56 GLU HB2 . 11100 1 604 . 1 1 56 56 GLU HB3 H 1 2.160 0.030 . 2 . . . . 56 GLU HB3 . 11100 1 605 . 1 1 56 56 GLU HG2 H 1 2.890 0.030 . 2 . . . . 56 GLU HG2 . 11100 1 606 . 1 1 56 56 GLU HG3 H 1 2.469 0.030 . 2 . . . . 56 GLU HG3 . 11100 1 607 . 1 1 56 56 GLU C C 13 177.517 0.300 . 1 . . . . 56 GLU C . 11100 1 608 . 1 1 56 56 GLU CA C 13 57.544 0.300 . 1 . . . . 56 GLU CA . 11100 1 609 . 1 1 56 56 GLU CB C 13 29.255 0.300 . 1 . . . . 56 GLU CB . 11100 1 610 . 1 1 56 56 GLU CG C 13 35.519 0.300 . 1 . . . . 56 GLU CG . 11100 1 611 . 1 1 56 56 GLU N N 15 116.606 0.300 . 1 . . . . 56 GLU N . 11100 1 612 . 1 1 57 57 TRP H H 1 8.610 0.030 . 1 . . . . 57 TRP H . 11100 1 613 . 1 1 57 57 TRP HA H 1 4.279 0.030 . 1 . . . . 57 TRP HA . 11100 1 614 . 1 1 57 57 TRP HB2 H 1 3.630 0.030 . 2 . . . . 57 TRP HB2 . 11100 1 615 . 1 1 57 57 TRP HB3 H 1 2.949 0.030 . 2 . . . . 57 TRP HB3 . 11100 1 616 . 1 1 57 57 TRP HD1 H 1 6.398 0.030 . 1 . . . . 57 TRP HD1 . 11100 1 617 . 1 1 57 57 TRP HE1 H 1 8.301 0.030 . 1 . . . . 57 TRP HE1 . 11100 1 618 . 1 1 57 57 TRP HE3 H 1 7.191 0.030 . 1 . . . . 57 TRP HE3 . 11100 1 619 . 1 1 57 57 TRP HH2 H 1 6.813 0.030 . 1 . . . . 57 TRP HH2 . 11100 1 620 . 1 1 57 57 TRP HZ2 H 1 7.442 0.030 . 1 . . . . 57 TRP HZ2 . 11100 1 621 . 1 1 57 57 TRP HZ3 H 1 6.664 0.030 . 1 . . . . 57 TRP HZ3 . 11100 1 622 . 1 1 57 57 TRP C C 13 178.271 0.300 . 1 . . . . 57 TRP C . 11100 1 623 . 1 1 57 57 TRP CA C 13 59.747 0.300 . 1 . . . . 57 TRP CA . 11100 1 624 . 1 1 57 57 TRP CB C 13 30.928 0.300 . 1 . . . . 57 TRP CB . 11100 1 625 . 1 1 57 57 TRP CD1 C 13 125.787 0.300 . 1 . . . . 57 TRP CD1 . 11100 1 626 . 1 1 57 57 TRP CE3 C 13 119.102 0.300 . 1 . . . . 57 TRP CE3 . 11100 1 627 . 1 1 57 57 TRP CH2 C 13 123.788 0.300 . 1 . . . . 57 TRP CH2 . 11100 1 628 . 1 1 57 57 TRP CZ2 C 13 115.751 0.300 . 1 . . . . 57 TRP CZ2 . 11100 1 629 . 1 1 57 57 TRP CZ3 C 13 120.437 0.300 . 1 . . . . 57 TRP CZ3 . 11100 1 630 . 1 1 57 57 TRP N N 15 123.625 0.300 . 1 . . . . 57 TRP N . 11100 1 631 . 1 1 57 57 TRP NE1 N 15 124.598 0.300 . 1 . . . . 57 TRP NE1 . 11100 1 632 . 1 1 58 58 LYS H H 1 8.288 0.030 . 1 . . . . 58 LYS H . 11100 1 633 . 1 1 58 58 LYS HA H 1 3.793 0.030 . 1 . . . . 58 LYS HA . 11100 1 634 . 1 1 58 58 LYS HB2 H 1 2.054 0.030 . 2 . . . . 58 LYS HB2 . 11100 1 635 . 1 1 58 58 LYS HB3 H 1 1.832 0.030 . 2 . . . . 58 LYS HB3 . 11100 1 636 . 1 1 58 58 LYS HD2 H 1 1.777 0.030 . 1 . . . . 58 LYS HD2 . 11100 1 637 . 1 1 58 58 LYS HD3 H 1 1.777 0.030 . 1 . . . . 58 LYS HD3 . 11100 1 638 . 1 1 58 58 LYS HE2 H 1 3.231 0.030 . 2 . . . . 58 LYS HE2 . 11100 1 639 . 1 1 58 58 LYS HE3 H 1 2.892 0.030 . 2 . . . . 58 LYS HE3 . 11100 1 640 . 1 1 58 58 LYS HG2 H 1 1.468 0.030 . 2 . . . . 58 LYS HG2 . 11100 1 641 . 1 1 58 58 LYS HG3 H 1 2.045 0.030 . 2 . . . . 58 LYS HG3 . 11100 1 642 . 1 1 58 58 LYS C C 13 179.230 0.300 . 1 . . . . 58 LYS C . 11100 1 643 . 1 1 58 58 LYS CA C 13 60.257 0.300 . 1 . . . . 58 LYS CA . 11100 1 644 . 1 1 58 58 LYS CB C 13 33.444 0.300 . 1 . . . . 58 LYS CB . 11100 1 645 . 1 1 58 58 LYS CD C 13 30.444 0.300 . 1 . . . . 58 LYS CD . 11100 1 646 . 1 1 58 58 LYS CE C 13 41.800 0.300 . 1 . . . . 58 LYS CE . 11100 1 647 . 1 1 58 58 LYS CG C 13 27.040 0.300 . 1 . . . . 58 LYS CG . 11100 1 648 . 1 1 58 58 LYS N N 15 114.720 0.300 . 1 . . . . 58 LYS N . 11100 1 649 . 1 1 59 59 LYS H H 1 7.506 0.030 . 1 . . . . 59 LYS H . 11100 1 650 . 1 1 59 59 LYS HA H 1 3.921 0.030 . 1 . . . . 59 LYS HA . 11100 1 651 . 1 1 59 59 LYS HB2 H 1 1.987 0.030 . 2 . . . . 59 LYS HB2 . 11100 1 652 . 1 1 59 59 LYS HB3 H 1 1.890 0.030 . 2 . . . . 59 LYS HB3 . 11100 1 653 . 1 1 59 59 LYS HD2 H 1 1.771 0.030 . 2 . . . . 59 LYS HD2 . 11100 1 654 . 1 1 59 59 LYS HD3 H 1 1.688 0.030 . 2 . . . . 59 LYS HD3 . 11100 1 655 . 1 1 59 59 LYS HE2 H 1 2.914 0.030 . 1 . . . . 59 LYS HE2 . 11100 1 656 . 1 1 59 59 LYS HE3 H 1 2.914 0.030 . 1 . . . . 59 LYS HE3 . 11100 1 657 . 1 1 59 59 LYS HG2 H 1 1.414 0.030 . 2 . . . . 59 LYS HG2 . 11100 1 658 . 1 1 59 59 LYS HG3 H 1 1.631 0.030 . 2 . . . . 59 LYS HG3 . 11100 1 659 . 1 1 59 59 LYS C C 13 179.597 0.300 . 1 . . . . 59 LYS C . 11100 1 660 . 1 1 59 59 LYS CA C 13 59.727 0.300 . 1 . . . . 59 LYS CA . 11100 1 661 . 1 1 59 59 LYS CB C 13 32.712 0.300 . 1 . . . . 59 LYS CB . 11100 1 662 . 1 1 59 59 LYS CD C 13 29.925 0.300 . 1 . . . . 59 LYS CD . 11100 1 663 . 1 1 59 59 LYS CE C 13 41.844 0.300 . 1 . . . . 59 LYS CE . 11100 1 664 . 1 1 59 59 LYS CG C 13 25.103 0.300 . 1 . . . . 59 LYS CG . 11100 1 665 . 1 1 59 59 LYS N N 15 118.297 0.300 . 1 . . . . 59 LYS N . 11100 1 666 . 1 1 60 60 ALA H H 1 8.124 0.030 . 1 . . . . 60 ALA H . 11100 1 667 . 1 1 60 60 ALA HA H 1 3.646 0.030 . 1 . . . . 60 ALA HA . 11100 1 668 . 1 1 60 60 ALA HB1 H 1 1.024 0.030 . 1 . . . . 60 ALA HB . 11100 1 669 . 1 1 60 60 ALA HB2 H 1 1.024 0.030 . 1 . . . . 60 ALA HB . 11100 1 670 . 1 1 60 60 ALA HB3 H 1 1.024 0.030 . 1 . . . . 60 ALA HB . 11100 1 671 . 1 1 60 60 ALA C C 13 178.052 0.300 . 1 . . . . 60 ALA C . 11100 1 672 . 1 1 60 60 ALA CA C 13 54.619 0.300 . 1 . . . . 60 ALA CA . 11100 1 673 . 1 1 60 60 ALA CB C 13 17.201 0.300 . 1 . . . . 60 ALA CB . 11100 1 674 . 1 1 60 60 ALA N N 15 122.119 0.300 . 1 . . . . 60 ALA N . 11100 1 675 . 1 1 61 61 ALA H H 1 7.931 0.030 . 1 . . . . 61 ALA H . 11100 1 676 . 1 1 61 61 ALA HA H 1 3.487 0.030 . 1 . . . . 61 ALA HA . 11100 1 677 . 1 1 61 61 ALA HB1 H 1 0.980 0.030 . 1 . . . . 61 ALA HB . 11100 1 678 . 1 1 61 61 ALA HB2 H 1 0.980 0.030 . 1 . . . . 61 ALA HB . 11100 1 679 . 1 1 61 61 ALA HB3 H 1 0.980 0.030 . 1 . . . . 61 ALA HB . 11100 1 680 . 1 1 61 61 ALA C C 13 180.450 0.300 . 1 . . . . 61 ALA C . 11100 1 681 . 1 1 61 61 ALA CA C 13 54.563 0.300 . 1 . . . . 61 ALA CA . 11100 1 682 . 1 1 61 61 ALA CB C 13 18.766 0.300 . 1 . . . . 61 ALA CB . 11100 1 683 . 1 1 61 61 ALA N N 15 118.122 0.300 . 1 . . . . 61 ALA N . 11100 1 684 . 1 1 62 62 THR H H 1 8.099 0.030 . 1 . . . . 62 THR H . 11100 1 685 . 1 1 62 62 THR HA H 1 3.920 0.030 . 1 . . . . 62 THR HA . 11100 1 686 . 1 1 62 62 THR HB H 1 3.873 0.030 . 1 . . . . 62 THR HB . 11100 1 687 . 1 1 62 62 THR HG21 H 1 1.204 0.030 . 1 . . . . 62 THR HG2 . 11100 1 688 . 1 1 62 62 THR HG22 H 1 1.204 0.030 . 1 . . . . 62 THR HG2 . 11100 1 689 . 1 1 62 62 THR HG23 H 1 1.204 0.030 . 1 . . . . 62 THR HG2 . 11100 1 690 . 1 1 62 62 THR C C 13 176.825 0.300 . 1 . . . . 62 THR C . 11100 1 691 . 1 1 62 62 THR CA C 13 66.430 0.300 . 1 . . . . 62 THR CA . 11100 1 692 . 1 1 62 62 THR CB C 13 69.068 0.300 . 1 . . . . 62 THR CB . 11100 1 693 . 1 1 62 62 THR CG2 C 13 22.396 0.300 . 1 . . . . 62 THR CG2 . 11100 1 694 . 1 1 62 62 THR N N 15 115.400 0.300 . 1 . . . . 62 THR N . 11100 1 695 . 1 1 63 63 ALA H H 1 8.042 0.030 . 1 . . . . 63 ALA H . 11100 1 696 . 1 1 63 63 ALA HA H 1 4.042 0.030 . 1 . . . . 63 ALA HA . 11100 1 697 . 1 1 63 63 ALA HB1 H 1 1.373 0.030 . 1 . . . . 63 ALA HB . 11100 1 698 . 1 1 63 63 ALA HB2 H 1 1.373 0.030 . 1 . . . . 63 ALA HB . 11100 1 699 . 1 1 63 63 ALA HB3 H 1 1.373 0.030 . 1 . . . . 63 ALA HB . 11100 1 700 . 1 1 63 63 ALA C C 13 179.936 0.300 . 1 . . . . 63 ALA C . 11100 1 701 . 1 1 63 63 ALA CA C 13 54.847 0.300 . 1 . . . . 63 ALA CA . 11100 1 702 . 1 1 63 63 ALA CB C 13 18.864 0.300 . 1 . . . . 63 ALA CB . 11100 1 703 . 1 1 63 63 ALA N N 15 123.694 0.300 . 1 . . . . 63 ALA N . 11100 1 704 . 1 1 64 64 LEU H H 1 7.609 0.030 . 1 . . . . 64 LEU H . 11100 1 705 . 1 1 64 64 LEU HA H 1 4.191 0.030 . 1 . . . . 64 LEU HA . 11100 1 706 . 1 1 64 64 LEU HB2 H 1 1.763 0.030 . 2 . . . . 64 LEU HB2 . 11100 1 707 . 1 1 64 64 LEU HB3 H 1 1.439 0.030 . 2 . . . . 64 LEU HB3 . 11100 1 708 . 1 1 64 64 LEU HD11 H 1 0.327 0.030 . 1 . . . . 64 LEU HD1 . 11100 1 709 . 1 1 64 64 LEU HD12 H 1 0.327 0.030 . 1 . . . . 64 LEU HD1 . 11100 1 710 . 1 1 64 64 LEU HD13 H 1 0.327 0.030 . 1 . . . . 64 LEU HD1 . 11100 1 711 . 1 1 64 64 LEU HD21 H 1 0.770 0.030 . 1 . . . . 64 LEU HD2 . 11100 1 712 . 1 1 64 64 LEU HD22 H 1 0.770 0.030 . 1 . . . . 64 LEU HD2 . 11100 1 713 . 1 1 64 64 LEU HD23 H 1 0.770 0.030 . 1 . . . . 64 LEU HD2 . 11100 1 714 . 1 1 64 64 LEU HG H 1 1.621 0.030 . 1 . . . . 64 LEU HG . 11100 1 715 . 1 1 64 64 LEU C C 13 175.486 0.300 . 1 . . . . 64 LEU C . 11100 1 716 . 1 1 64 64 LEU CA C 13 53.608 0.300 . 1 . . . . 64 LEU CA . 11100 1 717 . 1 1 64 64 LEU CB C 13 41.885 0.300 . 1 . . . . 64 LEU CB . 11100 1 718 . 1 1 64 64 LEU CD1 C 13 25.150 0.300 . 2 . . . . 64 LEU CD1 . 11100 1 719 . 1 1 64 64 LEU CD2 C 13 22.162 0.300 . 2 . . . . 64 LEU CD2 . 11100 1 720 . 1 1 64 64 LEU CG C 13 26.249 0.300 . 1 . . . . 64 LEU CG . 11100 1 721 . 1 1 64 64 LEU N N 15 114.881 0.300 . 1 . . . . 64 LEU N . 11100 1 722 . 1 1 65 65 LYS H H 1 7.003 0.030 . 1 . . . . 65 LYS H . 11100 1 723 . 1 1 65 65 LYS HA H 1 4.013 0.030 . 1 . . . . 65 LYS HA . 11100 1 724 . 1 1 65 65 LYS HB2 H 1 1.840 0.030 . 2 . . . . 65 LYS HB2 . 11100 1 725 . 1 1 65 65 LYS HB3 H 1 1.757 0.030 . 2 . . . . 65 LYS HB3 . 11100 1 726 . 1 1 65 65 LYS HD2 H 1 1.670 0.030 . 2 . . . . 65 LYS HD2 . 11100 1 727 . 1 1 65 65 LYS HD3 H 1 1.569 0.030 . 2 . . . . 65 LYS HD3 . 11100 1 728 . 1 1 65 65 LYS HE2 H 1 2.964 0.030 . 2 . . . . 65 LYS HE2 . 11100 1 729 . 1 1 65 65 LYS HG2 H 1 1.419 0.030 . 2 . . . . 65 LYS HG2 . 11100 1 730 . 1 1 65 65 LYS HG3 H 1 1.336 0.030 . 2 . . . . 65 LYS HG3 . 11100 1 731 . 1 1 65 65 LYS C C 13 176.785 0.300 . 1 . . . . 65 LYS C . 11100 1 732 . 1 1 65 65 LYS CA C 13 59.263 0.300 . 1 . . . . 65 LYS CA . 11100 1 733 . 1 1 65 65 LYS CB C 13 32.719 0.300 . 1 . . . . 65 LYS CB . 11100 1 734 . 1 1 65 65 LYS CD C 13 29.476 0.300 . 1 . . . . 65 LYS CD . 11100 1 735 . 1 1 65 65 LYS CE C 13 42.118 0.300 . 1 . . . . 65 LYS CE . 11100 1 736 . 1 1 65 65 LYS CG C 13 24.086 0.300 . 1 . . . . 65 LYS CG . 11100 1 737 . 1 1 65 65 LYS N N 15 123.535 0.300 . 1 . . . . 65 LYS N . 11100 1 738 . 1 1 66 66 ASP H H 1 8.764 0.030 . 1 . . . . 66 ASP H . 11100 1 739 . 1 1 66 66 ASP HA H 1 4.241 0.030 . 1 . . . . 66 ASP HA . 11100 1 740 . 1 1 66 66 ASP HB2 H 1 2.960 0.030 . 2 . . . . 66 ASP HB2 . 11100 1 741 . 1 1 66 66 ASP HB3 H 1 2.801 0.030 . 2 . . . . 66 ASP HB3 . 11100 1 742 . 1 1 66 66 ASP C C 13 175.326 0.300 . 1 . . . . 66 ASP C . 11100 1 743 . 1 1 66 66 ASP CA C 13 57.228 0.300 . 1 . . . . 66 ASP CA . 11100 1 744 . 1 1 66 66 ASP CB C 13 39.870 0.300 . 1 . . . . 66 ASP CB . 11100 1 745 . 1 1 66 66 ASP N N 15 119.071 0.300 . 1 . . . . 66 ASP N . 11100 1 746 . 1 1 67 67 VAL H H 1 8.433 0.030 . 1 . . . . 67 VAL H . 11100 1 747 . 1 1 67 67 VAL HA H 1 4.203 0.030 . 1 . . . . 67 VAL HA . 11100 1 748 . 1 1 67 67 VAL HB H 1 1.856 0.030 . 1 . . . . 67 VAL HB . 11100 1 749 . 1 1 67 67 VAL HG11 H 1 0.847 0.030 . 1 . . . . 67 VAL HG1 . 11100 1 750 . 1 1 67 67 VAL HG12 H 1 0.847 0.030 . 1 . . . . 67 VAL HG1 . 11100 1 751 . 1 1 67 67 VAL HG13 H 1 0.847 0.030 . 1 . . . . 67 VAL HG1 . 11100 1 752 . 1 1 67 67 VAL HG21 H 1 0.784 0.030 . 1 . . . . 67 VAL HG2 . 11100 1 753 . 1 1 67 67 VAL HG22 H 1 0.784 0.030 . 1 . . . . 67 VAL HG2 . 11100 1 754 . 1 1 67 67 VAL HG23 H 1 0.784 0.030 . 1 . . . . 67 VAL HG2 . 11100 1 755 . 1 1 67 67 VAL C C 13 175.271 0.300 . 1 . . . . 67 VAL C . 11100 1 756 . 1 1 67 67 VAL CA C 13 64.058 0.300 . 1 . . . . 67 VAL CA . 11100 1 757 . 1 1 67 67 VAL CB C 13 34.654 0.300 . 1 . . . . 67 VAL CB . 11100 1 758 . 1 1 67 67 VAL CG1 C 13 21.845 0.300 . 2 . . . . 67 VAL CG1 . 11100 1 759 . 1 1 67 67 VAL CG2 C 13 20.410 0.300 . 2 . . . . 67 VAL CG2 . 11100 1 760 . 1 1 67 67 VAL N N 15 118.114 0.300 . 1 . . . . 67 VAL N . 11100 1 761 . 1 1 68 68 VAL H H 1 8.337 0.030 . 1 . . . . 68 VAL H . 11100 1 762 . 1 1 68 68 VAL HA H 1 3.990 0.030 . 1 . . . . 68 VAL HA . 11100 1 763 . 1 1 68 68 VAL HB H 1 1.752 0.030 . 1 . . . . 68 VAL HB . 11100 1 764 . 1 1 68 68 VAL HG11 H 1 0.670 0.030 . 1 . . . . 68 VAL HG1 . 11100 1 765 . 1 1 68 68 VAL HG12 H 1 0.670 0.030 . 1 . . . . 68 VAL HG1 . 11100 1 766 . 1 1 68 68 VAL HG13 H 1 0.670 0.030 . 1 . . . . 68 VAL HG1 . 11100 1 767 . 1 1 68 68 VAL HG21 H 1 0.848 0.030 . 1 . . . . 68 VAL HG2 . 11100 1 768 . 1 1 68 68 VAL HG22 H 1 0.848 0.030 . 1 . . . . 68 VAL HG2 . 11100 1 769 . 1 1 68 68 VAL HG23 H 1 0.848 0.030 . 1 . . . . 68 VAL HG2 . 11100 1 770 . 1 1 68 68 VAL C C 13 174.235 0.300 . 1 . . . . 68 VAL C . 11100 1 771 . 1 1 68 68 VAL CA C 13 61.463 0.300 . 1 . . . . 68 VAL CA . 11100 1 772 . 1 1 68 68 VAL CB C 13 36.866 0.300 . 1 . . . . 68 VAL CB . 11100 1 773 . 1 1 68 68 VAL CG1 C 13 21.437 0.300 . 2 . . . . 68 VAL CG1 . 11100 1 774 . 1 1 68 68 VAL CG2 C 13 23.470 0.300 . 2 . . . . 68 VAL CG2 . 11100 1 775 . 1 1 68 68 VAL N N 15 120.035 0.300 . 1 . . . . 68 VAL N . 11100 1 776 . 1 1 69 69 LYS H H 1 7.265 0.030 . 1 . . . . 69 LYS H . 11100 1 777 . 1 1 69 69 LYS HA H 1 3.585 0.030 . 1 . . . . 69 LYS HA . 11100 1 778 . 1 1 69 69 LYS HB2 H 1 -0.494 0.030 . 2 . . . . 69 LYS HB2 . 11100 1 779 . 1 1 69 69 LYS HB3 H 1 -1.013 0.030 . 2 . . . . 69 LYS HB3 . 11100 1 780 . 1 1 69 69 LYS HD2 H 1 1.212 0.030 . 2 . . . . 69 LYS HD2 . 11100 1 781 . 1 1 69 69 LYS HD3 H 1 1.007 0.030 . 2 . . . . 69 LYS HD3 . 11100 1 782 . 1 1 69 69 LYS HE2 H 1 2.716 0.030 . 1 . . . . 69 LYS HE2 . 11100 1 783 . 1 1 69 69 LYS HE3 H 1 2.716 0.030 . 1 . . . . 69 LYS HE3 . 11100 1 784 . 1 1 69 69 LYS HG2 H 1 0.705 0.030 . 1 . . . . 69 LYS HG2 . 11100 1 785 . 1 1 69 69 LYS HG3 H 1 0.705 0.030 . 1 . . . . 69 LYS HG3 . 11100 1 786 . 1 1 69 69 LYS C C 13 173.473 0.300 . 1 . . . . 69 LYS C . 11100 1 787 . 1 1 69 69 LYS CA C 13 55.865 0.300 . 1 . . . . 69 LYS CA . 11100 1 788 . 1 1 69 69 LYS CB C 13 29.872 0.300 . 1 . . . . 69 LYS CB . 11100 1 789 . 1 1 69 69 LYS CD C 13 28.616 0.300 . 1 . . . . 69 LYS CD . 11100 1 790 . 1 1 69 69 LYS CE C 13 42.395 0.300 . 1 . . . . 69 LYS CE . 11100 1 791 . 1 1 69 69 LYS CG C 13 25.087 0.300 . 1 . . . . 69 LYS CG . 11100 1 792 . 1 1 69 69 LYS N N 15 127.128 0.300 . 1 . . . . 69 LYS N . 11100 1 793 . 1 1 70 70 VAL H H 1 8.340 0.030 . 1 . . . . 70 VAL H . 11100 1 794 . 1 1 70 70 VAL HA H 1 4.660 0.030 . 1 . . . . 70 VAL HA . 11100 1 795 . 1 1 70 70 VAL HB H 1 1.431 0.030 . 1 . . . . 70 VAL HB . 11100 1 796 . 1 1 70 70 VAL HG11 H 1 -0.012 0.030 . 1 . . . . 70 VAL HG1 . 11100 1 797 . 1 1 70 70 VAL HG12 H 1 -0.012 0.030 . 1 . . . . 70 VAL HG1 . 11100 1 798 . 1 1 70 70 VAL HG13 H 1 -0.012 0.030 . 1 . . . . 70 VAL HG1 . 11100 1 799 . 1 1 70 70 VAL HG21 H 1 0.299 0.030 . 1 . . . . 70 VAL HG2 . 11100 1 800 . 1 1 70 70 VAL HG22 H 1 0.299 0.030 . 1 . . . . 70 VAL HG2 . 11100 1 801 . 1 1 70 70 VAL HG23 H 1 0.299 0.030 . 1 . . . . 70 VAL HG2 . 11100 1 802 . 1 1 70 70 VAL C C 13 175.010 0.300 . 1 . . . . 70 VAL C . 11100 1 803 . 1 1 70 70 VAL CA C 13 61.475 0.300 . 1 . . . . 70 VAL CA . 11100 1 804 . 1 1 70 70 VAL CB C 13 33.064 0.300 . 1 . . . . 70 VAL CB . 11100 1 805 . 1 1 70 70 VAL CG1 C 13 20.853 0.300 . 2 . . . . 70 VAL CG1 . 11100 1 806 . 1 1 70 70 VAL CG2 C 13 22.241 0.300 . 2 . . . . 70 VAL CG2 . 11100 1 807 . 1 1 70 70 VAL N N 15 122.986 0.300 . 1 . . . . 70 VAL N . 11100 1 808 . 1 1 71 71 GLY H H 1 9.614 0.030 . 1 . . . . 71 GLY H . 11100 1 809 . 1 1 71 71 GLY HA2 H 1 5.868 0.030 . 2 . . . . 71 GLY HA2 . 11100 1 810 . 1 1 71 71 GLY HA3 H 1 3.853 0.030 . 2 . . . . 71 GLY HA3 . 11100 1 811 . 1 1 71 71 GLY C C 13 174.307 0.300 . 1 . . . . 71 GLY C . 11100 1 812 . 1 1 71 71 GLY CA C 13 44.505 0.300 . 1 . . . . 71 GLY CA . 11100 1 813 . 1 1 71 71 GLY N N 15 111.612 0.300 . 1 . . . . 71 GLY N . 11100 1 814 . 1 1 72 72 ALA H H 1 8.751 0.030 . 1 . . . . 72 ALA H . 11100 1 815 . 1 1 72 72 ALA HA H 1 5.450 0.030 . 1 . . . . 72 ALA HA . 11100 1 816 . 1 1 72 72 ALA HB1 H 1 1.338 0.030 . 1 . . . . 72 ALA HB . 11100 1 817 . 1 1 72 72 ALA HB2 H 1 1.338 0.030 . 1 . . . . 72 ALA HB . 11100 1 818 . 1 1 72 72 ALA HB3 H 1 1.338 0.030 . 1 . . . . 72 ALA HB . 11100 1 819 . 1 1 72 72 ALA C C 13 173.911 0.300 . 1 . . . . 72 ALA C . 11100 1 820 . 1 1 72 72 ALA CA C 13 51.691 0.300 . 1 . . . . 72 ALA CA . 11100 1 821 . 1 1 72 72 ALA CB C 13 24.322 0.300 . 1 . . . . 72 ALA CB . 11100 1 822 . 1 1 72 72 ALA N N 15 123.296 0.300 . 1 . . . . 72 ALA N . 11100 1 823 . 1 1 73 73 VAL H H 1 9.113 0.030 . 1 . . . . 73 VAL H . 11100 1 824 . 1 1 73 73 VAL HA H 1 4.482 0.030 . 1 . . . . 73 VAL HA . 11100 1 825 . 1 1 73 73 VAL HB H 1 1.368 0.030 . 1 . . . . 73 VAL HB . 11100 1 826 . 1 1 73 73 VAL HG11 H 1 0.740 0.030 . 1 . . . . 73 VAL HG1 . 11100 1 827 . 1 1 73 73 VAL HG12 H 1 0.740 0.030 . 1 . . . . 73 VAL HG1 . 11100 1 828 . 1 1 73 73 VAL HG13 H 1 0.740 0.030 . 1 . . . . 73 VAL HG1 . 11100 1 829 . 1 1 73 73 VAL HG21 H 1 0.456 0.030 . 1 . . . . 73 VAL HG2 . 11100 1 830 . 1 1 73 73 VAL HG22 H 1 0.456 0.030 . 1 . . . . 73 VAL HG2 . 11100 1 831 . 1 1 73 73 VAL HG23 H 1 0.456 0.030 . 1 . . . . 73 VAL HG2 . 11100 1 832 . 1 1 73 73 VAL C C 13 173.899 0.300 . 1 . . . . 73 VAL C . 11100 1 833 . 1 1 73 73 VAL CA C 13 59.825 0.300 . 1 . . . . 73 VAL CA . 11100 1 834 . 1 1 73 73 VAL CB C 13 35.990 0.300 . 1 . . . . 73 VAL CB . 11100 1 835 . 1 1 73 73 VAL CG1 C 13 20.743 0.300 . 2 . . . . 73 VAL CG1 . 11100 1 836 . 1 1 73 73 VAL CG2 C 13 21.755 0.300 . 2 . . . . 73 VAL CG2 . 11100 1 837 . 1 1 73 73 VAL N N 15 120.524 0.300 . 1 . . . . 73 VAL N . 11100 1 838 . 1 1 74 74 ASN H H 1 9.530 0.030 . 1 . . . . 74 ASN H . 11100 1 839 . 1 1 74 74 ASN HA H 1 3.185 0.030 . 1 . . . . 74 ASN HA . 11100 1 840 . 1 1 74 74 ASN HB2 H 1 2.962 0.030 . 2 . . . . 74 ASN HB2 . 11100 1 841 . 1 1 74 74 ASN HB3 H 1 2.782 0.030 . 2 . . . . 74 ASN HB3 . 11100 1 842 . 1 1 74 74 ASN HD21 H 1 7.809 0.030 . 2 . . . . 74 ASN HD21 . 11100 1 843 . 1 1 74 74 ASN HD22 H 1 7.303 0.030 . 2 . . . . 74 ASN HD22 . 11100 1 844 . 1 1 74 74 ASN C C 13 173.980 0.300 . 1 . . . . 74 ASN C . 11100 1 845 . 1 1 74 74 ASN CA C 13 51.053 0.300 . 1 . . . . 74 ASN CA . 11100 1 846 . 1 1 74 74 ASN CB C 13 35.779 0.300 . 1 . . . . 74 ASN CB . 11100 1 847 . 1 1 74 74 ASN N N 15 126.146 0.300 . 1 . . . . 74 ASN N . 11100 1 848 . 1 1 74 74 ASN ND2 N 15 110.334 0.300 . 1 . . . . 74 ASN ND2 . 11100 1 849 . 1 1 75 75 ALA H H 1 8.633 0.030 . 1 . . . . 75 ALA H . 11100 1 850 . 1 1 75 75 ALA HA H 1 4.102 0.030 . 1 . . . . 75 ALA HA . 11100 1 851 . 1 1 75 75 ALA HB1 H 1 1.561 0.030 . 1 . . . . 75 ALA HB . 11100 1 852 . 1 1 75 75 ALA HB2 H 1 1.561 0.030 . 1 . . . . 75 ALA HB . 11100 1 853 . 1 1 75 75 ALA HB3 H 1 1.561 0.030 . 1 . . . . 75 ALA HB . 11100 1 854 . 1 1 75 75 ALA C C 13 176.432 0.300 . 1 . . . . 75 ALA C . 11100 1 855 . 1 1 75 75 ALA CA C 13 52.004 0.300 . 1 . . . . 75 ALA CA . 11100 1 856 . 1 1 75 75 ALA CB C 13 19.695 0.300 . 1 . . . . 75 ALA CB . 11100 1 857 . 1 1 75 75 ALA N N 15 130.274 0.300 . 1 . . . . 75 ALA N . 11100 1 858 . 1 1 76 76 ASP H H 1 7.644 0.030 . 1 . . . . 76 ASP H . 11100 1 859 . 1 1 76 76 ASP HA H 1 4.613 0.030 . 1 . . . . 76 ASP HA . 11100 1 860 . 1 1 76 76 ASP HB2 H 1 2.925 0.030 . 2 . . . . 76 ASP HB2 . 11100 1 861 . 1 1 76 76 ASP HB3 H 1 2.345 0.030 . 2 . . . . 76 ASP HB3 . 11100 1 862 . 1 1 76 76 ASP C C 13 175.985 0.300 . 1 . . . . 76 ASP C . 11100 1 863 . 1 1 76 76 ASP CA C 13 56.473 0.300 . 1 . . . . 76 ASP CA . 11100 1 864 . 1 1 76 76 ASP CB C 13 43.402 0.300 . 1 . . . . 76 ASP CB . 11100 1 865 . 1 1 76 76 ASP N N 15 118.108 0.300 . 1 . . . . 76 ASP N . 11100 1 866 . 1 1 77 77 LYS H H 1 6.676 0.030 . 1 . . . . 77 LYS H . 11100 1 867 . 1 1 77 77 LYS HA H 1 4.010 0.030 . 1 . . . . 77 LYS HA . 11100 1 868 . 1 1 77 77 LYS HB2 H 1 0.940 0.030 . 2 . . . . 77 LYS HB2 . 11100 1 869 . 1 1 77 77 LYS HB3 H 1 1.502 0.030 . 2 . . . . 77 LYS HB3 . 11100 1 870 . 1 1 77 77 LYS HD2 H 1 1.512 0.030 . 1 . . . . 77 LYS HD2 . 11100 1 871 . 1 1 77 77 LYS HD3 H 1 1.512 0.030 . 1 . . . . 77 LYS HD3 . 11100 1 872 . 1 1 77 77 LYS HE2 H 1 2.947 0.030 . 2 . . . . 77 LYS HE2 . 11100 1 873 . 1 1 77 77 LYS HG2 H 1 0.625 0.030 . 2 . . . . 77 LYS HG2 . 11100 1 874 . 1 1 77 77 LYS HG3 H 1 1.045 0.030 . 2 . . . . 77 LYS HG3 . 11100 1 875 . 1 1 77 77 LYS C C 13 177.343 0.300 . 1 . . . . 77 LYS C . 11100 1 876 . 1 1 77 77 LYS CA C 13 57.258 0.300 . 1 . . . . 77 LYS CA . 11100 1 877 . 1 1 77 77 LYS CB C 13 34.159 0.300 . 1 . . . . 77 LYS CB . 11100 1 878 . 1 1 77 77 LYS CD C 13 29.313 0.300 . 1 . . . . 77 LYS CD . 11100 1 879 . 1 1 77 77 LYS CE C 13 41.981 0.300 . 1 . . . . 77 LYS CE . 11100 1 880 . 1 1 77 77 LYS CG C 13 24.314 0.300 . 1 . . . . 77 LYS CG . 11100 1 881 . 1 1 77 77 LYS N N 15 117.652 0.300 . 1 . . . . 77 LYS N . 11100 1 882 . 1 1 78 78 HIS H H 1 8.381 0.030 . 1 . . . . 78 HIS H . 11100 1 883 . 1 1 78 78 HIS HA H 1 5.233 0.030 . 1 . . . . 78 HIS HA . 11100 1 884 . 1 1 78 78 HIS HB2 H 1 3.078 0.030 . 2 . . . . 78 HIS HB2 . 11100 1 885 . 1 1 78 78 HIS HB3 H 1 2.833 0.030 . 2 . . . . 78 HIS HB3 . 11100 1 886 . 1 1 78 78 HIS HD2 H 1 7.222 0.030 . 1 . . . . 78 HIS HD2 . 11100 1 887 . 1 1 78 78 HIS HE1 H 1 7.869 0.030 . 1 . . . . 78 HIS HE1 . 11100 1 888 . 1 1 78 78 HIS C C 13 176.310 0.300 . 1 . . . . 78 HIS C . 11100 1 889 . 1 1 78 78 HIS CA C 13 53.093 0.300 . 1 . . . . 78 HIS CA . 11100 1 890 . 1 1 78 78 HIS CB C 13 28.584 0.300 . 1 . . . . 78 HIS CB . 11100 1 891 . 1 1 78 78 HIS CD2 C 13 119.120 0.300 . 1 . . . . 78 HIS CD2 . 11100 1 892 . 1 1 78 78 HIS CE1 C 13 138.774 0.300 . 1 . . . . 78 HIS CE1 . 11100 1 893 . 1 1 78 78 HIS N N 15 119.179 0.300 . 1 . . . . 78 HIS N . 11100 1 894 . 1 1 79 79 GLN H H 1 7.707 0.030 . 1 . . . . 79 GLN H . 11100 1 895 . 1 1 79 79 GLN HA H 1 4.272 0.030 . 1 . . . . 79 GLN HA . 11100 1 896 . 1 1 79 79 GLN HB2 H 1 2.186 0.030 . 2 . . . . 79 GLN HB2 . 11100 1 897 . 1 1 79 79 GLN HB3 H 1 2.077 0.030 . 2 . . . . 79 GLN HB3 . 11100 1 898 . 1 1 79 79 GLN HE21 H 1 7.713 0.030 . 2 . . . . 79 GLN HE21 . 11100 1 899 . 1 1 79 79 GLN HE22 H 1 6.876 0.030 . 2 . . . . 79 GLN HE22 . 11100 1 900 . 1 1 79 79 GLN HG2 H 1 2.570 0.030 . 1 . . . . 79 GLN HG2 . 11100 1 901 . 1 1 79 79 GLN HG3 H 1 2.570 0.030 . 1 . . . . 79 GLN HG3 . 11100 1 902 . 1 1 79 79 GLN C C 13 179.691 0.300 . 1 . . . . 79 GLN C . 11100 1 903 . 1 1 79 79 GLN CA C 13 59.121 0.300 . 1 . . . . 79 GLN CA . 11100 1 904 . 1 1 79 79 GLN CB C 13 28.286 0.300 . 1 . . . . 79 GLN CB . 11100 1 905 . 1 1 79 79 GLN CG C 13 33.994 0.300 . 1 . . . . 79 GLN CG . 11100 1 906 . 1 1 79 79 GLN N N 15 121.408 0.300 . 1 . . . . 79 GLN N . 11100 1 907 . 1 1 79 79 GLN NE2 N 15 111.726 0.300 . 1 . . . . 79 GLN NE2 . 11100 1 908 . 1 1 80 80 SER HA H 1 4.244 0.030 . 1 . . . . 80 SER HA . 11100 1 909 . 1 1 80 80 SER HB2 H 1 3.956 0.030 . 1 . . . . 80 SER HB2 . 11100 1 910 . 1 1 80 80 SER HB3 H 1 3.956 0.030 . 1 . . . . 80 SER HB3 . 11100 1 911 . 1 1 80 80 SER C C 13 176.984 0.300 . 1 . . . . 80 SER C . 11100 1 912 . 1 1 80 80 SER CA C 13 60.988 0.300 . 1 . . . . 80 SER CA . 11100 1 913 . 1 1 80 80 SER CB C 13 61.789 0.300 . 1 . . . . 80 SER CB . 11100 1 914 . 1 1 81 81 LEU H H 1 7.242 0.030 . 1 . . . . 81 LEU H . 11100 1 915 . 1 1 81 81 LEU HA H 1 4.265 0.030 . 1 . . . . 81 LEU HA . 11100 1 916 . 1 1 81 81 LEU HB2 H 1 1.690 0.030 . 2 . . . . 81 LEU HB2 . 11100 1 917 . 1 1 81 81 LEU HB3 H 1 1.517 0.030 . 2 . . . . 81 LEU HB3 . 11100 1 918 . 1 1 81 81 LEU HD11 H 1 0.395 0.030 . 1 . . . . 81 LEU HD1 . 11100 1 919 . 1 1 81 81 LEU HD12 H 1 0.395 0.030 . 1 . . . . 81 LEU HD1 . 11100 1 920 . 1 1 81 81 LEU HD13 H 1 0.395 0.030 . 1 . . . . 81 LEU HD1 . 11100 1 921 . 1 1 81 81 LEU HD21 H 1 0.461 0.030 . 1 . . . . 81 LEU HD2 . 11100 1 922 . 1 1 81 81 LEU HD22 H 1 0.461 0.030 . 1 . . . . 81 LEU HD2 . 11100 1 923 . 1 1 81 81 LEU HD23 H 1 0.461 0.030 . 1 . . . . 81 LEU HD2 . 11100 1 924 . 1 1 81 81 LEU HG H 1 1.447 0.030 . 1 . . . . 81 LEU HG . 11100 1 925 . 1 1 81 81 LEU C C 13 178.389 0.300 . 1 . . . . 81 LEU C . 11100 1 926 . 1 1 81 81 LEU CA C 13 57.321 0.300 . 1 . . . . 81 LEU CA . 11100 1 927 . 1 1 81 81 LEU CB C 13 42.919 0.300 . 1 . . . . 81 LEU CB . 11100 1 928 . 1 1 81 81 LEU CD1 C 13 24.127 0.300 . 2 . . . . 81 LEU CD1 . 11100 1 929 . 1 1 81 81 LEU CD2 C 13 23.754 0.300 . 2 . . . . 81 LEU CD2 . 11100 1 930 . 1 1 81 81 LEU CG C 13 27.609 0.300 . 1 . . . . 81 LEU CG . 11100 1 931 . 1 1 81 81 LEU N N 15 124.293 0.300 . 1 . . . . 81 LEU N . 11100 1 932 . 1 1 82 82 GLY H H 1 7.738 0.030 . 1 . . . . 82 GLY H . 11100 1 933 . 1 1 82 82 GLY HA2 H 1 4.024 0.030 . 2 . . . . 82 GLY HA2 . 11100 1 934 . 1 1 82 82 GLY HA3 H 1 3.616 0.030 . 2 . . . . 82 GLY HA3 . 11100 1 935 . 1 1 82 82 GLY C C 13 176.670 0.300 . 1 . . . . 82 GLY C . 11100 1 936 . 1 1 82 82 GLY CA C 13 47.371 0.300 . 1 . . . . 82 GLY CA . 11100 1 937 . 1 1 82 82 GLY N N 15 102.722 0.300 . 1 . . . . 82 GLY N . 11100 1 938 . 1 1 83 83 GLY H H 1 8.497 0.030 . 1 . . . . 83 GLY H . 11100 1 939 . 1 1 83 83 GLY HA2 H 1 3.879 0.030 . 1 . . . . 83 GLY HA2 . 11100 1 940 . 1 1 83 83 GLY HA3 H 1 3.879 0.030 . 1 . . . . 83 GLY HA3 . 11100 1 941 . 1 1 83 83 GLY C C 13 177.316 0.300 . 1 . . . . 83 GLY C . 11100 1 942 . 1 1 83 83 GLY CA C 13 46.959 0.300 . 1 . . . . 83 GLY CA . 11100 1 943 . 1 1 83 83 GLY N N 15 108.816 0.300 . 1 . . . . 83 GLY N . 11100 1 944 . 1 1 84 84 GLN H H 1 7.745 0.030 . 1 . . . . 84 GLN H . 11100 1 945 . 1 1 84 84 GLN HA H 1 3.832 0.030 . 1 . . . . 84 GLN HA . 11100 1 946 . 1 1 84 84 GLN HB2 H 1 1.987 0.030 . 2 . . . . 84 GLN HB2 . 11100 1 947 . 1 1 84 84 GLN HB3 H 1 1.647 0.030 . 2 . . . . 84 GLN HB3 . 11100 1 948 . 1 1 84 84 GLN HE21 H 1 7.074 0.030 . 2 . . . . 84 GLN HE21 . 11100 1 949 . 1 1 84 84 GLN HE22 H 1 6.625 0.030 . 2 . . . . 84 GLN HE22 . 11100 1 950 . 1 1 84 84 GLN HG2 H 1 1.936 0.030 . 2 . . . . 84 GLN HG2 . 11100 1 951 . 1 1 84 84 GLN HG3 H 1 1.715 0.030 . 2 . . . . 84 GLN HG3 . 11100 1 952 . 1 1 84 84 GLN C C 13 176.620 0.300 . 1 . . . . 84 GLN C . 11100 1 953 . 1 1 84 84 GLN CA C 13 58.099 0.300 . 1 . . . . 84 GLN CA . 11100 1 954 . 1 1 84 84 GLN CB C 13 28.241 0.300 . 1 . . . . 84 GLN CB . 11100 1 955 . 1 1 84 84 GLN CG C 13 33.148 0.300 . 1 . . . . 84 GLN CG . 11100 1 956 . 1 1 84 84 GLN N N 15 121.867 0.300 . 1 . . . . 84 GLN N . 11100 1 957 . 1 1 84 84 GLN NE2 N 15 110.573 0.300 . 1 . . . . 84 GLN NE2 . 11100 1 958 . 1 1 85 85 TYR H H 1 6.872 0.030 . 1 . . . . 85 TYR H . 11100 1 959 . 1 1 85 85 TYR HA H 1 4.534 0.030 . 1 . . . . 85 TYR HA . 11100 1 960 . 1 1 85 85 TYR HB2 H 1 3.109 0.030 . 2 . . . . 85 TYR HB2 . 11100 1 961 . 1 1 85 85 TYR HB3 H 1 1.979 0.030 . 2 . . . . 85 TYR HB3 . 11100 1 962 . 1 1 85 85 TYR HD1 H 1 7.202 0.030 . 1 . . . . 85 TYR HD1 . 11100 1 963 . 1 1 85 85 TYR HD2 H 1 7.202 0.030 . 1 . . . . 85 TYR HD2 . 11100 1 964 . 1 1 85 85 TYR HE1 H 1 6.673 0.030 . 1 . . . . 85 TYR HE1 . 11100 1 965 . 1 1 85 85 TYR HE2 H 1 6.673 0.030 . 1 . . . . 85 TYR HE2 . 11100 1 966 . 1 1 85 85 TYR C C 13 174.815 0.300 . 1 . . . . 85 TYR C . 11100 1 967 . 1 1 85 85 TYR CA C 13 58.249 0.300 . 1 . . . . 85 TYR CA . 11100 1 968 . 1 1 85 85 TYR CB C 13 38.163 0.300 . 1 . . . . 85 TYR CB . 11100 1 969 . 1 1 85 85 TYR CD1 C 13 132.926 0.300 . 1 . . . . 85 TYR CD1 . 11100 1 970 . 1 1 85 85 TYR CD2 C 13 132.926 0.300 . 1 . . . . 85 TYR CD2 . 11100 1 971 . 1 1 85 85 TYR CE1 C 13 118.264 0.300 . 1 . . . . 85 TYR CE1 . 11100 1 972 . 1 1 85 85 TYR CE2 C 13 118.264 0.300 . 1 . . . . 85 TYR CE2 . 11100 1 973 . 1 1 85 85 TYR N N 15 113.382 0.300 . 1 . . . . 85 TYR N . 11100 1 974 . 1 1 86 86 GLY H H 1 7.513 0.030 . 1 . . . . 86 GLY H . 11100 1 975 . 1 1 86 86 GLY HA2 H 1 3.793 0.030 . 2 . . . . 86 GLY HA2 . 11100 1 976 . 1 1 86 86 GLY HA3 H 1 3.727 0.030 . 2 . . . . 86 GLY HA3 . 11100 1 977 . 1 1 86 86 GLY C C 13 175.110 0.300 . 1 . . . . 86 GLY C . 11100 1 978 . 1 1 86 86 GLY CA C 13 46.918 0.300 . 1 . . . . 86 GLY CA . 11100 1 979 . 1 1 86 86 GLY N N 15 107.829 0.300 . 1 . . . . 86 GLY N . 11100 1 980 . 1 1 87 87 VAL H H 1 7.727 0.030 . 1 . . . . 87 VAL H . 11100 1 981 . 1 1 87 87 VAL HA H 1 3.471 0.030 . 1 . . . . 87 VAL HA . 11100 1 982 . 1 1 87 87 VAL HB H 1 1.588 0.030 . 1 . . . . 87 VAL HB . 11100 1 983 . 1 1 87 87 VAL HG11 H 1 0.632 0.030 . 1 . . . . 87 VAL HG1 . 11100 1 984 . 1 1 87 87 VAL HG12 H 1 0.632 0.030 . 1 . . . . 87 VAL HG1 . 11100 1 985 . 1 1 87 87 VAL HG13 H 1 0.632 0.030 . 1 . . . . 87 VAL HG1 . 11100 1 986 . 1 1 87 87 VAL HG21 H 1 0.214 0.030 . 1 . . . . 87 VAL HG2 . 11100 1 987 . 1 1 87 87 VAL HG22 H 1 0.214 0.030 . 1 . . . . 87 VAL HG2 . 11100 1 988 . 1 1 87 87 VAL HG23 H 1 0.214 0.030 . 1 . . . . 87 VAL HG2 . 11100 1 989 . 1 1 87 87 VAL C C 13 176.201 0.300 . 1 . . . . 87 VAL C . 11100 1 990 . 1 1 87 87 VAL CA C 13 64.177 0.300 . 1 . . . . 87 VAL CA . 11100 1 991 . 1 1 87 87 VAL CB C 13 30.753 0.300 . 1 . . . . 87 VAL CB . 11100 1 992 . 1 1 87 87 VAL CG1 C 13 21.642 0.300 . 2 . . . . 87 VAL CG1 . 11100 1 993 . 1 1 87 87 VAL CG2 C 13 21.853 0.300 . 2 . . . . 87 VAL CG2 . 11100 1 994 . 1 1 87 87 VAL N N 15 119.655 0.300 . 1 . . . . 87 VAL N . 11100 1 995 . 1 1 88 88 GLN H H 1 8.835 0.030 . 1 . . . . 88 GLN H . 11100 1 996 . 1 1 88 88 GLN HA H 1 4.305 0.030 . 1 . . . . 88 GLN HA . 11100 1 997 . 1 1 88 88 GLN HB2 H 1 2.070 0.030 . 2 . . . . 88 GLN HB2 . 11100 1 998 . 1 1 88 88 GLN HB3 H 1 1.717 0.030 . 2 . . . . 88 GLN HB3 . 11100 1 999 . 1 1 88 88 GLN HE21 H 1 7.331 0.030 . 2 . . . . 88 GLN HE21 . 11100 1 1000 . 1 1 88 88 GLN HE22 H 1 6.737 0.030 . 2 . . . . 88 GLN HE22 . 11100 1 1001 . 1 1 88 88 GLN HG2 H 1 2.218 0.030 . 2 . . . . 88 GLN HG2 . 11100 1 1002 . 1 1 88 88 GLN HG3 H 1 2.164 0.030 . 2 . . . . 88 GLN HG3 . 11100 1 1003 . 1 1 88 88 GLN C C 13 174.495 0.300 . 1 . . . . 88 GLN C . 11100 1 1004 . 1 1 88 88 GLN CA C 13 55.111 0.300 . 1 . . . . 88 GLN CA . 11100 1 1005 . 1 1 88 88 GLN CB C 13 30.349 0.300 . 1 . . . . 88 GLN CB . 11100 1 1006 . 1 1 88 88 GLN CG C 13 33.567 0.300 . 1 . . . . 88 GLN CG . 11100 1 1007 . 1 1 88 88 GLN N N 15 127.982 0.300 . 1 . . . . 88 GLN N . 11100 1 1008 . 1 1 88 88 GLN NE2 N 15 112.002 0.300 . 1 . . . . 88 GLN NE2 . 11100 1 1009 . 1 1 89 89 GLY H H 1 7.168 0.030 . 1 . . . . 89 GLY H . 11100 1 1010 . 1 1 89 89 GLY HA2 H 1 3.660 0.030 . 2 . . . . 89 GLY HA2 . 11100 1 1011 . 1 1 89 89 GLY HA3 H 1 3.462 0.030 . 2 . . . . 89 GLY HA3 . 11100 1 1012 . 1 1 89 89 GLY C C 13 170.969 0.300 . 1 . . . . 89 GLY C . 11100 1 1013 . 1 1 89 89 GLY CA C 13 43.854 0.300 . 1 . . . . 89 GLY CA . 11100 1 1014 . 1 1 89 89 GLY N N 15 107.718 0.300 . 1 . . . . 89 GLY N . 11100 1 1015 . 1 1 90 90 PHE H H 1 8.396 0.030 . 1 . . . . 90 PHE H . 11100 1 1016 . 1 1 90 90 PHE HA H 1 5.083 0.030 . 1 . . . . 90 PHE HA . 11100 1 1017 . 1 1 90 90 PHE HB2 H 1 2.957 0.030 . 2 . . . . 90 PHE HB2 . 11100 1 1018 . 1 1 90 90 PHE HB3 H 1 2.896 0.030 . 2 . . . . 90 PHE HB3 . 11100 1 1019 . 1 1 90 90 PHE HD1 H 1 6.944 0.030 . 1 . . . . 90 PHE HD1 . 11100 1 1020 . 1 1 90 90 PHE HD2 H 1 6.944 0.030 . 1 . . . . 90 PHE HD2 . 11100 1 1021 . 1 1 90 90 PHE HE1 H 1 7.121 0.030 . 1 . . . . 90 PHE HE1 . 11100 1 1022 . 1 1 90 90 PHE HE2 H 1 7.121 0.030 . 1 . . . . 90 PHE HE2 . 11100 1 1023 . 1 1 90 90 PHE HZ H 1 7.125 0.030 . 1 . . . . 90 PHE HZ . 11100 1 1024 . 1 1 90 90 PHE C C 13 173.219 0.300 . 1 . . . . 90 PHE C . 11100 1 1025 . 1 1 90 90 PHE CA C 13 53.862 0.300 . 1 . . . . 90 PHE CA . 11100 1 1026 . 1 1 90 90 PHE CB C 13 42.041 0.300 . 1 . . . . 90 PHE CB . 11100 1 1027 . 1 1 90 90 PHE CD1 C 13 131.530 0.300 . 1 . . . . 90 PHE CD1 . 11100 1 1028 . 1 1 90 90 PHE CD2 C 13 131.530 0.300 . 1 . . . . 90 PHE CD2 . 11100 1 1029 . 1 1 90 90 PHE CE1 C 13 131.215 0.300 . 1 . . . . 90 PHE CE1 . 11100 1 1030 . 1 1 90 90 PHE CE2 C 13 131.215 0.300 . 1 . . . . 90 PHE CE2 . 11100 1 1031 . 1 1 90 90 PHE CZ C 13 129.130 0.300 . 1 . . . . 90 PHE CZ . 11100 1 1032 . 1 1 90 90 PHE N N 15 117.164 0.300 . 1 . . . . 90 PHE N . 11100 1 1033 . 1 1 91 91 PRO HA H 1 5.159 0.030 . 1 . . . . 91 PRO HA . 11100 1 1034 . 1 1 91 91 PRO HB2 H 1 2.803 0.030 . 2 . . . . 91 PRO HB2 . 11100 1 1035 . 1 1 91 91 PRO HB3 H 1 1.639 0.030 . 2 . . . . 91 PRO HB3 . 11100 1 1036 . 1 1 91 91 PRO HD2 H 1 3.750 0.030 . 2 . . . . 91 PRO HD2 . 11100 1 1037 . 1 1 91 91 PRO HD3 H 1 3.433 0.030 . 2 . . . . 91 PRO HD3 . 11100 1 1038 . 1 1 91 91 PRO HG2 H 1 1.925 0.030 . 2 . . . . 91 PRO HG2 . 11100 1 1039 . 1 1 91 91 PRO HG3 H 1 1.832 0.030 . 2 . . . . 91 PRO HG3 . 11100 1 1040 . 1 1 91 91 PRO C C 13 177.293 0.300 . 1 . . . . 91 PRO C . 11100 1 1041 . 1 1 91 91 PRO CA C 13 62.949 0.300 . 1 . . . . 91 PRO CA . 11100 1 1042 . 1 1 91 91 PRO CB C 13 34.282 0.300 . 1 . . . . 91 PRO CB . 11100 1 1043 . 1 1 91 91 PRO CD C 13 49.827 0.300 . 1 . . . . 91 PRO CD . 11100 1 1044 . 1 1 91 91 PRO CG C 13 24.457 0.300 . 1 . . . . 91 PRO CG . 11100 1 1045 . 1 1 92 92 THR H H 1 8.675 0.030 . 1 . . . . 92 THR H . 11100 1 1046 . 1 1 92 92 THR HA H 1 4.648 0.030 . 1 . . . . 92 THR HA . 11100 1 1047 . 1 1 92 92 THR HB H 1 4.057 0.030 . 1 . . . . 92 THR HB . 11100 1 1048 . 1 1 92 92 THR HG21 H 1 1.257 0.030 . 1 . . . . 92 THR HG2 . 11100 1 1049 . 1 1 92 92 THR HG22 H 1 1.257 0.030 . 1 . . . . 92 THR HG2 . 11100 1 1050 . 1 1 92 92 THR HG23 H 1 1.257 0.030 . 1 . . . . 92 THR HG2 . 11100 1 1051 . 1 1 92 92 THR C C 13 172.742 0.300 . 1 . . . . 92 THR C . 11100 1 1052 . 1 1 92 92 THR CA C 13 63.380 0.300 . 1 . . . . 92 THR CA . 11100 1 1053 . 1 1 92 92 THR CB C 13 72.129 0.300 . 1 . . . . 92 THR CB . 11100 1 1054 . 1 1 92 92 THR CG2 C 13 21.506 0.300 . 1 . . . . 92 THR CG2 . 11100 1 1055 . 1 1 92 92 THR N N 15 117.300 0.300 . 1 . . . . 92 THR N . 11100 1 1056 . 1 1 93 93 ILE H H 1 9.672 0.030 . 1 . . . . 93 ILE H . 11100 1 1057 . 1 1 93 93 ILE HA H 1 5.090 0.030 . 1 . . . . 93 ILE HA . 11100 1 1058 . 1 1 93 93 ILE HB H 1 2.040 0.030 . 1 . . . . 93 ILE HB . 11100 1 1059 . 1 1 93 93 ILE HD11 H 1 0.840 0.030 . 1 . . . . 93 ILE HD1 . 11100 1 1060 . 1 1 93 93 ILE HD12 H 1 0.840 0.030 . 1 . . . . 93 ILE HD1 . 11100 1 1061 . 1 1 93 93 ILE HD13 H 1 0.840 0.030 . 1 . . . . 93 ILE HD1 . 11100 1 1062 . 1 1 93 93 ILE HG12 H 1 1.367 0.030 . 2 . . . . 93 ILE HG12 . 11100 1 1063 . 1 1 93 93 ILE HG13 H 1 0.517 0.030 . 2 . . . . 93 ILE HG13 . 11100 1 1064 . 1 1 93 93 ILE HG21 H 1 0.964 0.030 . 1 . . . . 93 ILE HG2 . 11100 1 1065 . 1 1 93 93 ILE HG22 H 1 0.964 0.030 . 1 . . . . 93 ILE HG2 . 11100 1 1066 . 1 1 93 93 ILE HG23 H 1 0.964 0.030 . 1 . . . . 93 ILE HG2 . 11100 1 1067 . 1 1 93 93 ILE C C 13 174.371 0.300 . 1 . . . . 93 ILE C . 11100 1 1068 . 1 1 93 93 ILE CA C 13 60.534 0.300 . 1 . . . . 93 ILE CA . 11100 1 1069 . 1 1 93 93 ILE CB C 13 40.110 0.300 . 1 . . . . 93 ILE CB . 11100 1 1070 . 1 1 93 93 ILE CD1 C 13 13.976 0.300 . 1 . . . . 93 ILE CD1 . 11100 1 1071 . 1 1 93 93 ILE CG1 C 13 27.588 0.300 . 1 . . . . 93 ILE CG1 . 11100 1 1072 . 1 1 93 93 ILE CG2 C 13 18.385 0.300 . 1 . . . . 93 ILE CG2 . 11100 1 1073 . 1 1 93 93 ILE N N 15 130.501 0.300 . 1 . . . . 93 ILE N . 11100 1 1074 . 1 1 94 94 LYS H H 1 9.326 0.030 . 1 . . . . 94 LYS H . 11100 1 1075 . 1 1 94 94 LYS HA H 1 5.400 0.030 . 1 . . . . 94 LYS HA . 11100 1 1076 . 1 1 94 94 LYS HB2 H 1 1.934 0.030 . 2 . . . . 94 LYS HB2 . 11100 1 1077 . 1 1 94 94 LYS HB3 H 1 1.413 0.030 . 2 . . . . 94 LYS HB3 . 11100 1 1078 . 1 1 94 94 LYS HD2 H 1 1.634 0.030 . 2 . . . . 94 LYS HD2 . 11100 1 1079 . 1 1 94 94 LYS HD3 H 1 1.193 0.030 . 2 . . . . 94 LYS HD3 . 11100 1 1080 . 1 1 94 94 LYS HE2 H 1 2.800 0.030 . 2 . . . . 94 LYS HE2 . 11100 1 1081 . 1 1 94 94 LYS HE3 H 1 2.478 0.030 . 2 . . . . 94 LYS HE3 . 11100 1 1082 . 1 1 94 94 LYS HG2 H 1 1.250 0.030 . 2 . . . . 94 LYS HG2 . 11100 1 1083 . 1 1 94 94 LYS HG3 H 1 1.568 0.030 . 2 . . . . 94 LYS HG3 . 11100 1 1084 . 1 1 94 94 LYS C C 13 174.814 0.300 . 1 . . . . 94 LYS C . 11100 1 1085 . 1 1 94 94 LYS CA C 13 53.109 0.300 . 1 . . . . 94 LYS CA . 11100 1 1086 . 1 1 94 94 LYS CB C 13 37.674 0.300 . 1 . . . . 94 LYS CB . 11100 1 1087 . 1 1 94 94 LYS CD C 13 28.902 0.300 . 1 . . . . 94 LYS CD . 11100 1 1088 . 1 1 94 94 LYS CE C 13 42.255 0.300 . 1 . . . . 94 LYS CE . 11100 1 1089 . 1 1 94 94 LYS CG C 13 25.939 0.300 . 1 . . . . 94 LYS CG . 11100 1 1090 . 1 1 94 94 LYS N N 15 125.286 0.300 . 1 . . . . 94 LYS N . 11100 1 1091 . 1 1 95 95 ILE H H 1 9.363 0.030 . 1 . . . . 95 ILE H . 11100 1 1092 . 1 1 95 95 ILE HA H 1 4.748 0.030 . 1 . . . . 95 ILE HA . 11100 1 1093 . 1 1 95 95 ILE HB H 1 1.792 0.030 . 1 . . . . 95 ILE HB . 11100 1 1094 . 1 1 95 95 ILE HD11 H 1 0.939 0.030 . 1 . . . . 95 ILE HD1 . 11100 1 1095 . 1 1 95 95 ILE HD12 H 1 0.939 0.030 . 1 . . . . 95 ILE HD1 . 11100 1 1096 . 1 1 95 95 ILE HD13 H 1 0.939 0.030 . 1 . . . . 95 ILE HD1 . 11100 1 1097 . 1 1 95 95 ILE HG12 H 1 1.659 0.030 . 2 . . . . 95 ILE HG12 . 11100 1 1098 . 1 1 95 95 ILE HG13 H 1 0.947 0.030 . 2 . . . . 95 ILE HG13 . 11100 1 1099 . 1 1 95 95 ILE HG21 H 1 0.855 0.030 . 1 . . . . 95 ILE HG2 . 11100 1 1100 . 1 1 95 95 ILE HG22 H 1 0.855 0.030 . 1 . . . . 95 ILE HG2 . 11100 1 1101 . 1 1 95 95 ILE HG23 H 1 0.855 0.030 . 1 . . . . 95 ILE HG2 . 11100 1 1102 . 1 1 95 95 ILE C C 13 175.622 0.300 . 1 . . . . 95 ILE C . 11100 1 1103 . 1 1 95 95 ILE CA C 13 61.084 0.300 . 1 . . . . 95 ILE CA . 11100 1 1104 . 1 1 95 95 ILE CB C 13 39.718 0.300 . 1 . . . . 95 ILE CB . 11100 1 1105 . 1 1 95 95 ILE CD1 C 13 13.347 0.300 . 1 . . . . 95 ILE CD1 . 11100 1 1106 . 1 1 95 95 ILE CG1 C 13 27.690 0.300 . 1 . . . . 95 ILE CG1 . 11100 1 1107 . 1 1 95 95 ILE CG2 C 13 17.299 0.300 . 1 . . . . 95 ILE CG2 . 11100 1 1108 . 1 1 95 95 ILE N N 15 121.685 0.300 . 1 . . . . 95 ILE N . 11100 1 1109 . 1 1 96 96 PHE H H 1 9.612 0.030 . 1 . . . . 96 PHE H . 11100 1 1110 . 1 1 96 96 PHE HA H 1 4.563 0.030 . 1 . . . . 96 PHE HA . 11100 1 1111 . 1 1 96 96 PHE HB2 H 1 3.151 0.030 . 2 . . . . 96 PHE HB2 . 11100 1 1112 . 1 1 96 96 PHE HB3 H 1 2.744 0.030 . 2 . . . . 96 PHE HB3 . 11100 1 1113 . 1 1 96 96 PHE HD1 H 1 7.140 0.030 . 1 . . . . 96 PHE HD1 . 11100 1 1114 . 1 1 96 96 PHE HD2 H 1 7.140 0.030 . 1 . . . . 96 PHE HD2 . 11100 1 1115 . 1 1 96 96 PHE HE1 H 1 7.133 0.030 . 1 . . . . 96 PHE HE1 . 11100 1 1116 . 1 1 96 96 PHE HE2 H 1 7.133 0.030 . 1 . . . . 96 PHE HE2 . 11100 1 1117 . 1 1 96 96 PHE HZ H 1 6.251 0.030 . 1 . . . . 96 PHE HZ . 11100 1 1118 . 1 1 96 96 PHE C C 13 174.439 0.300 . 1 . . . . 96 PHE C . 11100 1 1119 . 1 1 96 96 PHE CA C 13 57.209 0.300 . 1 . . . . 96 PHE CA . 11100 1 1120 . 1 1 96 96 PHE CB C 13 39.932 0.300 . 1 . . . . 96 PHE CB . 11100 1 1121 . 1 1 96 96 PHE CD1 C 13 132.272 0.300 . 1 . . . . 96 PHE CD1 . 11100 1 1122 . 1 1 96 96 PHE CD2 C 13 132.272 0.300 . 1 . . . . 96 PHE CD2 . 11100 1 1123 . 1 1 96 96 PHE CE1 C 13 131.074 0.300 . 1 . . . . 96 PHE CE1 . 11100 1 1124 . 1 1 96 96 PHE CE2 C 13 131.074 0.300 . 1 . . . . 96 PHE CE2 . 11100 1 1125 . 1 1 96 96 PHE CZ C 13 128.920 0.300 . 1 . . . . 96 PHE CZ . 11100 1 1126 . 1 1 96 96 PHE N N 15 128.942 0.300 . 1 . . . . 96 PHE N . 11100 1 1127 . 1 1 97 97 GLY H H 1 8.729 0.030 . 1 . . . . 97 GLY H . 11100 1 1128 . 1 1 97 97 GLY HA2 H 1 4.514 0.030 . 2 . . . . 97 GLY HA2 . 11100 1 1129 . 1 1 97 97 GLY HA3 H 1 3.570 0.030 . 2 . . . . 97 GLY HA3 . 11100 1 1130 . 1 1 97 97 GLY C C 13 174.275 0.300 . 1 . . . . 97 GLY C . 11100 1 1131 . 1 1 97 97 GLY CA C 13 44.127 0.300 . 1 . . . . 97 GLY CA . 11100 1 1132 . 1 1 97 97 GLY N N 15 113.113 0.300 . 1 . . . . 97 GLY N . 11100 1 1133 . 1 1 98 98 ALA H H 1 8.716 0.030 . 1 . . . . 98 ALA H . 11100 1 1134 . 1 1 98 98 ALA HA H 1 4.046 0.030 . 1 . . . . 98 ALA HA . 11100 1 1135 . 1 1 98 98 ALA HB1 H 1 1.421 0.030 . 1 . . . . 98 ALA HB . 11100 1 1136 . 1 1 98 98 ALA HB2 H 1 1.421 0.030 . 1 . . . . 98 ALA HB . 11100 1 1137 . 1 1 98 98 ALA HB3 H 1 1.421 0.030 . 1 . . . . 98 ALA HB . 11100 1 1138 . 1 1 98 98 ALA C C 13 178.540 0.300 . 1 . . . . 98 ALA C . 11100 1 1139 . 1 1 98 98 ALA CA C 13 55.339 0.300 . 1 . . . . 98 ALA CA . 11100 1 1140 . 1 1 98 98 ALA CB C 13 18.608 0.300 . 1 . . . . 98 ALA CB . 11100 1 1141 . 1 1 98 98 ALA N N 15 127.685 0.300 . 1 . . . . 98 ALA N . 11100 1 1142 . 1 1 99 99 ASN H H 1 8.318 0.030 . 1 . . . . 99 ASN H . 11100 1 1143 . 1 1 99 99 ASN HA H 1 5.011 0.030 . 1 . . . . 99 ASN HA . 11100 1 1144 . 1 1 99 99 ASN HB2 H 1 3.140 0.030 . 2 . . . . 99 ASN HB2 . 11100 1 1145 . 1 1 99 99 ASN HB3 H 1 2.721 0.030 . 2 . . . . 99 ASN HB3 . 11100 1 1146 . 1 1 99 99 ASN HD21 H 1 7.793 0.030 . 2 . . . . 99 ASN HD21 . 11100 1 1147 . 1 1 99 99 ASN HD22 H 1 7.157 0.030 . 2 . . . . 99 ASN HD22 . 11100 1 1148 . 1 1 99 99 ASN C C 13 177.232 0.300 . 1 . . . . 99 ASN C . 11100 1 1149 . 1 1 99 99 ASN CA C 13 51.002 0.300 . 1 . . . . 99 ASN CA . 11100 1 1150 . 1 1 99 99 ASN CB C 13 37.419 0.300 . 1 . . . . 99 ASN CB . 11100 1 1151 . 1 1 99 99 ASN N N 15 112.954 0.300 . 1 . . . . 99 ASN N . 11100 1 1152 . 1 1 99 99 ASN ND2 N 15 111.152 0.300 . 1 . . . . 99 ASN ND2 . 11100 1 1153 . 1 1 100 100 LYS H H 1 9.227 0.030 . 1 . . . . 100 LYS H . 11100 1 1154 . 1 1 100 100 LYS HA H 1 4.089 0.030 . 1 . . . . 100 LYS HA . 11100 1 1155 . 1 1 100 100 LYS HB2 H 1 2.200 0.030 . 2 . . . . 100 LYS HB2 . 11100 1 1156 . 1 1 100 100 LYS HB3 H 1 2.070 0.030 . 2 . . . . 100 LYS HB3 . 11100 1 1157 . 1 1 100 100 LYS HD2 H 1 1.494 0.030 . 2 . . . . 100 LYS HD2 . 11100 1 1158 . 1 1 100 100 LYS HD3 H 1 2.033 0.030 . 2 . . . . 100 LYS HD3 . 11100 1 1159 . 1 1 100 100 LYS HE2 H 1 3.617 0.030 . 2 . . . . 100 LYS HE2 . 11100 1 1160 . 1 1 100 100 LYS HE3 H 1 3.222 0.030 . 2 . . . . 100 LYS HE3 . 11100 1 1161 . 1 1 100 100 LYS HG2 H 1 2.173 0.030 . 2 . . . . 100 LYS HG2 . 11100 1 1162 . 1 1 100 100 LYS HG3 H 1 1.684 0.030 . 2 . . . . 100 LYS HG3 . 11100 1 1163 . 1 1 100 100 LYS C C 13 175.932 0.300 . 1 . . . . 100 LYS C . 11100 1 1164 . 1 1 100 100 LYS CA C 13 56.999 0.300 . 1 . . . . 100 LYS CA . 11100 1 1165 . 1 1 100 100 LYS CB C 13 33.339 0.300 . 1 . . . . 100 LYS CB . 11100 1 1166 . 1 1 100 100 LYS CD C 13 30.271 0.300 . 1 . . . . 100 LYS CD . 11100 1 1167 . 1 1 100 100 LYS CE C 13 42.709 0.300 . 1 . . . . 100 LYS CE . 11100 1 1168 . 1 1 100 100 LYS CG C 13 24.040 0.300 . 1 . . . . 100 LYS CG . 11100 1 1169 . 1 1 100 100 LYS N N 15 125.022 0.300 . 1 . . . . 100 LYS N . 11100 1 1170 . 1 1 101 101 ASN H H 1 8.097 0.030 . 1 . . . . 101 ASN H . 11100 1 1171 . 1 1 101 101 ASN HA H 1 4.873 0.030 . 1 . . . . 101 ASN HA . 11100 1 1172 . 1 1 101 101 ASN HB2 H 1 2.957 0.030 . 2 . . . . 101 ASN HB2 . 11100 1 1173 . 1 1 101 101 ASN HB3 H 1 2.888 0.030 . 2 . . . . 101 ASN HB3 . 11100 1 1174 . 1 1 101 101 ASN HD21 H 1 7.706 0.030 . 2 . . . . 101 ASN HD21 . 11100 1 1175 . 1 1 101 101 ASN HD22 H 1 7.019 0.030 . 2 . . . . 101 ASN HD22 . 11100 1 1176 . 1 1 101 101 ASN C C 13 174.968 0.300 . 1 . . . . 101 ASN C . 11100 1 1177 . 1 1 101 101 ASN CA C 13 53.868 0.300 . 1 . . . . 101 ASN CA . 11100 1 1178 . 1 1 101 101 ASN CB C 13 39.316 0.300 . 1 . . . . 101 ASN CB . 11100 1 1179 . 1 1 101 101 ASN N N 15 111.820 0.300 . 1 . . . . 101 ASN N . 11100 1 1180 . 1 1 101 101 ASN ND2 N 15 113.972 0.300 . 1 . . . . 101 ASN ND2 . 11100 1 1181 . 1 1 102 102 LYS H H 1 7.445 0.030 . 1 . . . . 102 LYS H . 11100 1 1182 . 1 1 102 102 LYS HA H 1 4.823 0.030 . 1 . . . . 102 LYS HA . 11100 1 1183 . 1 1 102 102 LYS HB2 H 1 1.862 0.030 . 2 . . . . 102 LYS HB2 . 11100 1 1184 . 1 1 102 102 LYS HB3 H 1 1.464 0.030 . 2 . . . . 102 LYS HB3 . 11100 1 1185 . 1 1 102 102 LYS HD2 H 1 1.682 0.030 . 2 . . . . 102 LYS HD2 . 11100 1 1186 . 1 1 102 102 LYS HE2 H 1 2.977 0.030 . 2 . . . . 102 LYS HE2 . 11100 1 1187 . 1 1 102 102 LYS HG2 H 1 1.329 0.030 . 2 . . . . 102 LYS HG2 . 11100 1 1188 . 1 1 102 102 LYS HG3 H 1 1.255 0.030 . 2 . . . . 102 LYS HG3 . 11100 1 1189 . 1 1 102 102 LYS C C 13 172.158 0.300 . 1 . . . . 102 LYS C . 11100 1 1190 . 1 1 102 102 LYS CA C 13 53.257 0.300 . 1 . . . . 102 LYS CA . 11100 1 1191 . 1 1 102 102 LYS CB C 13 33.552 0.300 . 1 . . . . 102 LYS CB . 11100 1 1192 . 1 1 102 102 LYS CD C 13 29.214 0.300 . 1 . . . . 102 LYS CD . 11100 1 1193 . 1 1 102 102 LYS CE C 13 42.098 0.300 . 1 . . . . 102 LYS CE . 11100 1 1194 . 1 1 102 102 LYS CG C 13 24.716 0.300 . 1 . . . . 102 LYS CG . 11100 1 1195 . 1 1 102 102 LYS N N 15 119.680 0.300 . 1 . . . . 102 LYS N . 11100 1 1196 . 1 1 103 103 PRO HA H 1 4.606 0.030 . 1 . . . . 103 PRO HA . 11100 1 1197 . 1 1 103 103 PRO HB2 H 1 0.910 0.030 . 2 . . . . 103 PRO HB2 . 11100 1 1198 . 1 1 103 103 PRO HB3 H 1 0.290 0.030 . 2 . . . . 103 PRO HB3 . 11100 1 1199 . 1 1 103 103 PRO HD2 H 1 3.679 0.030 . 2 . . . . 103 PRO HD2 . 11100 1 1200 . 1 1 103 103 PRO HD3 H 1 3.186 0.030 . 2 . . . . 103 PRO HD3 . 11100 1 1201 . 1 1 103 103 PRO HG2 H 1 1.782 0.030 . 2 . . . . 103 PRO HG2 . 11100 1 1202 . 1 1 103 103 PRO HG3 H 1 1.497 0.030 . 2 . . . . 103 PRO HG3 . 11100 1 1203 . 1 1 103 103 PRO C C 13 176.768 0.300 . 1 . . . . 103 PRO C . 11100 1 1204 . 1 1 103 103 PRO CA C 13 62.442 0.300 . 1 . . . . 103 PRO CA . 11100 1 1205 . 1 1 103 103 PRO CB C 13 31.481 0.300 . 1 . . . . 103 PRO CB . 11100 1 1206 . 1 1 103 103 PRO CD C 13 49.722 0.300 . 1 . . . . 103 PRO CD . 11100 1 1207 . 1 1 103 103 PRO CG C 13 27.112 0.300 . 1 . . . . 103 PRO CG . 11100 1 1208 . 1 1 104 104 GLU H H 1 8.542 0.030 . 1 . . . . 104 GLU H . 11100 1 1209 . 1 1 104 104 GLU HA H 1 4.648 0.030 . 1 . . . . 104 GLU HA . 11100 1 1210 . 1 1 104 104 GLU HB2 H 1 2.114 0.030 . 2 . . . . 104 GLU HB2 . 11100 1 1211 . 1 1 104 104 GLU HB3 H 1 1.855 0.030 . 2 . . . . 104 GLU HB3 . 11100 1 1212 . 1 1 104 104 GLU HG2 H 1 2.348 0.030 . 2 . . . . 104 GLU HG2 . 11100 1 1213 . 1 1 104 104 GLU HG3 H 1 2.287 0.030 . 2 . . . . 104 GLU HG3 . 11100 1 1214 . 1 1 104 104 GLU C C 13 175.896 0.300 . 1 . . . . 104 GLU C . 11100 1 1215 . 1 1 104 104 GLU CA C 13 54.346 0.300 . 1 . . . . 104 GLU CA . 11100 1 1216 . 1 1 104 104 GLU CB C 13 33.106 0.300 . 1 . . . . 104 GLU CB . 11100 1 1217 . 1 1 104 104 GLU CG C 13 36.214 0.300 . 1 . . . . 104 GLU CG . 11100 1 1218 . 1 1 104 104 GLU N N 15 120.179 0.300 . 1 . . . . 104 GLU N . 11100 1 1219 . 1 1 105 105 ASP H H 1 8.940 0.030 . 1 . . . . 105 ASP H . 11100 1 1220 . 1 1 105 105 ASP HA H 1 4.963 0.030 . 1 . . . . 105 ASP HA . 11100 1 1221 . 1 1 105 105 ASP HB2 H 1 2.517 0.030 . 1 . . . . 105 ASP HB2 . 11100 1 1222 . 1 1 105 105 ASP HB3 H 1 2.517 0.030 . 1 . . . . 105 ASP HB3 . 11100 1 1223 . 1 1 105 105 ASP C C 13 176.041 0.300 . 1 . . . . 105 ASP C . 11100 1 1224 . 1 1 105 105 ASP CA C 13 55.170 0.300 . 1 . . . . 105 ASP CA . 11100 1 1225 . 1 1 105 105 ASP CB C 13 41.487 0.300 . 1 . . . . 105 ASP CB . 11100 1 1226 . 1 1 105 105 ASP N N 15 122.721 0.300 . 1 . . . . 105 ASP N . 11100 1 1227 . 1 1 106 106 TYR H H 1 8.586 0.030 . 1 . . . . 106 TYR H . 11100 1 1228 . 1 1 106 106 TYR HA H 1 4.672 0.030 . 1 . . . . 106 TYR HA . 11100 1 1229 . 1 1 106 106 TYR HB2 H 1 2.803 0.030 . 1 . . . . 106 TYR HB2 . 11100 1 1230 . 1 1 106 106 TYR HB3 H 1 2.803 0.030 . 1 . . . . 106 TYR HB3 . 11100 1 1231 . 1 1 106 106 TYR HD1 H 1 7.080 0.030 . 1 . . . . 106 TYR HD1 . 11100 1 1232 . 1 1 106 106 TYR HD2 H 1 7.080 0.030 . 1 . . . . 106 TYR HD2 . 11100 1 1233 . 1 1 106 106 TYR HE1 H 1 6.642 0.030 . 1 . . . . 106 TYR HE1 . 11100 1 1234 . 1 1 106 106 TYR HE2 H 1 6.642 0.030 . 1 . . . . 106 TYR HE2 . 11100 1 1235 . 1 1 106 106 TYR C C 13 175.682 0.300 . 1 . . . . 106 TYR C . 11100 1 1236 . 1 1 106 106 TYR CA C 13 57.856 0.300 . 1 . . . . 106 TYR CA . 11100 1 1237 . 1 1 106 106 TYR CB C 13 38.883 0.300 . 1 . . . . 106 TYR CB . 11100 1 1238 . 1 1 106 106 TYR CD1 C 13 132.664 0.300 . 1 . . . . 106 TYR CD1 . 11100 1 1239 . 1 1 106 106 TYR CD2 C 13 132.664 0.300 . 1 . . . . 106 TYR CD2 . 11100 1 1240 . 1 1 106 106 TYR CE1 C 13 118.403 0.300 . 1 . . . . 106 TYR CE1 . 11100 1 1241 . 1 1 106 106 TYR CE2 C 13 118.403 0.300 . 1 . . . . 106 TYR CE2 . 11100 1 1242 . 1 1 106 106 TYR N N 15 123.379 0.300 . 1 . . . . 106 TYR N . 11100 1 1243 . 1 1 107 107 GLN H H 1 8.844 0.030 . 1 . . . . 107 GLN H . 11100 1 1244 . 1 1 107 107 GLN HA H 1 4.490 0.030 . 1 . . . . 107 GLN HA . 11100 1 1245 . 1 1 107 107 GLN HB2 H 1 1.616 0.030 . 2 . . . . 107 GLN HB2 . 11100 1 1246 . 1 1 107 107 GLN HB3 H 1 2.243 0.030 . 2 . . . . 107 GLN HB3 . 11100 1 1247 . 1 1 107 107 GLN HE21 H 1 7.506 0.030 . 2 . . . . 107 GLN HE21 . 11100 1 1248 . 1 1 107 107 GLN HE22 H 1 6.826 0.030 . 2 . . . . 107 GLN HE22 . 11100 1 1249 . 1 1 107 107 GLN HG2 H 1 2.226 0.030 . 2 . . . . 107 GLN HG2 . 11100 1 1250 . 1 1 107 107 GLN HG3 H 1 2.167 0.030 . 2 . . . . 107 GLN HG3 . 11100 1 1251 . 1 1 107 107 GLN C C 13 175.219 0.300 . 1 . . . . 107 GLN C . 11100 1 1252 . 1 1 107 107 GLN CA C 13 54.546 0.300 . 1 . . . . 107 GLN CA . 11100 1 1253 . 1 1 107 107 GLN CB C 13 29.451 0.300 . 1 . . . . 107 GLN CB . 11100 1 1254 . 1 1 107 107 GLN CG C 13 33.292 0.300 . 1 . . . . 107 GLN CG . 11100 1 1255 . 1 1 107 107 GLN N N 15 128.607 0.300 . 1 . . . . 107 GLN N . 11100 1 1256 . 1 1 107 107 GLN NE2 N 15 112.153 0.300 . 1 . . . . 107 GLN NE2 . 11100 1 1257 . 1 1 108 108 GLY H H 1 5.087 0.030 . 1 . . . . 108 GLY H . 11100 1 1258 . 1 1 108 108 GLY HA2 H 1 4.091 0.030 . 2 . . . . 108 GLY HA2 . 11100 1 1259 . 1 1 108 108 GLY HA3 H 1 3.580 0.030 . 2 . . . . 108 GLY HA3 . 11100 1 1260 . 1 1 108 108 GLY C C 13 173.416 0.300 . 1 . . . . 108 GLY C . 11100 1 1261 . 1 1 108 108 GLY CA C 13 44.453 0.300 . 1 . . . . 108 GLY CA . 11100 1 1262 . 1 1 109 109 GLY H H 1 8.638 0.030 . 1 . . . . 109 GLY H . 11100 1 1263 . 1 1 109 109 GLY HA2 H 1 4.069 0.030 . 2 . . . . 109 GLY HA2 . 11100 1 1264 . 1 1 109 109 GLY HA3 H 1 3.871 0.030 . 2 . . . . 109 GLY HA3 . 11100 1 1265 . 1 1 109 109 GLY C C 13 175.598 0.300 . 1 . . . . 109 GLY C . 11100 1 1266 . 1 1 109 109 GLY CA C 13 45.384 0.300 . 1 . . . . 109 GLY CA . 11100 1 1267 . 1 1 109 109 GLY N N 15 104.635 0.300 . 1 . . . . 109 GLY N . 11100 1 1268 . 1 1 110 110 ARG H H 1 8.904 0.030 . 1 . . . . 110 ARG H . 11100 1 1269 . 1 1 110 110 ARG HA H 1 4.597 0.030 . 1 . . . . 110 ARG HA . 11100 1 1270 . 1 1 110 110 ARG HB2 H 1 2.236 0.030 . 2 . . . . 110 ARG HB2 . 11100 1 1271 . 1 1 110 110 ARG HB3 H 1 1.741 0.030 . 2 . . . . 110 ARG HB3 . 11100 1 1272 . 1 1 110 110 ARG HD2 H 1 3.273 0.030 . 2 . . . . 110 ARG HD2 . 11100 1 1273 . 1 1 110 110 ARG HD3 H 1 3.168 0.030 . 2 . . . . 110 ARG HD3 . 11100 1 1274 . 1 1 110 110 ARG HG2 H 1 1.913 0.030 . 2 . . . . 110 ARG HG2 . 11100 1 1275 . 1 1 110 110 ARG HG3 H 1 1.505 0.030 . 2 . . . . 110 ARG HG3 . 11100 1 1276 . 1 1 110 110 ARG C C 13 175.288 0.300 . 1 . . . . 110 ARG C . 11100 1 1277 . 1 1 110 110 ARG CA C 13 55.870 0.300 . 1 . . . . 110 ARG CA . 11100 1 1278 . 1 1 110 110 ARG CB C 13 29.069 0.300 . 1 . . . . 110 ARG CB . 11100 1 1279 . 1 1 110 110 ARG CD C 13 44.160 0.300 . 1 . . . . 110 ARG CD . 11100 1 1280 . 1 1 110 110 ARG CG C 13 28.606 0.300 . 1 . . . . 110 ARG CG . 11100 1 1281 . 1 1 110 110 ARG N N 15 123.100 0.300 . 1 . . . . 110 ARG N . 11100 1 1282 . 1 1 111 111 THR H H 1 7.188 0.030 . 1 . . . . 111 THR H . 11100 1 1283 . 1 1 111 111 THR HA H 1 4.566 0.030 . 1 . . . . 111 THR HA . 11100 1 1284 . 1 1 111 111 THR HB H 1 4.533 0.030 . 1 . . . . 111 THR HB . 11100 1 1285 . 1 1 111 111 THR HG21 H 1 1.233 0.030 . 1 . . . . 111 THR HG2 . 11100 1 1286 . 1 1 111 111 THR HG22 H 1 1.233 0.030 . 1 . . . . 111 THR HG2 . 11100 1 1287 . 1 1 111 111 THR HG23 H 1 1.233 0.030 . 1 . . . . 111 THR HG2 . 11100 1 1288 . 1 1 111 111 THR C C 13 175.351 0.300 . 1 . . . . 111 THR C . 11100 1 1289 . 1 1 111 111 THR CA C 13 59.353 0.300 . 1 . . . . 111 THR CA . 11100 1 1290 . 1 1 111 111 THR CB C 13 71.482 0.300 . 1 . . . . 111 THR CB . 11100 1 1291 . 1 1 111 111 THR CG2 C 13 22.317 0.300 . 1 . . . . 111 THR CG2 . 11100 1 1292 . 1 1 111 111 THR N N 15 106.649 0.300 . 1 . . . . 111 THR N . 11100 1 1293 . 1 1 112 112 GLY H H 1 10.747 0.030 . 1 . . . . 112 GLY H . 11100 1 1294 . 1 1 112 112 GLY HA2 H 1 3.666 0.030 . 1 . . . . 112 GLY HA2 . 11100 1 1295 . 1 1 112 112 GLY HA3 H 1 3.666 0.030 . 1 . . . . 112 GLY HA3 . 11100 1 1296 . 1 1 112 112 GLY C C 13 174.689 0.300 . 1 . . . . 112 GLY C . 11100 1 1297 . 1 1 112 112 GLY CA C 13 48.106 0.300 . 1 . . . . 112 GLY CA . 11100 1 1298 . 1 1 112 112 GLY N N 15 111.901 0.300 . 1 . . . . 112 GLY N . 11100 1 1299 . 1 1 113 113 GLU H H 1 8.971 0.030 . 1 . . . . 113 GLU H . 11100 1 1300 . 1 1 113 113 GLU HA H 1 3.847 0.030 . 1 . . . . 113 GLU HA . 11100 1 1301 . 1 1 113 113 GLU HB2 H 1 2.000 0.030 . 2 . . . . 113 GLU HB2 . 11100 1 1302 . 1 1 113 113 GLU HB3 H 1 1.929 0.030 . 2 . . . . 113 GLU HB3 . 11100 1 1303 . 1 1 113 113 GLU HG2 H 1 2.429 0.030 . 2 . . . . 113 GLU HG2 . 11100 1 1304 . 1 1 113 113 GLU HG3 H 1 2.249 0.030 . 2 . . . . 113 GLU HG3 . 11100 1 1305 . 1 1 113 113 GLU C C 13 178.476 0.300 . 1 . . . . 113 GLU C . 11100 1 1306 . 1 1 113 113 GLU CA C 13 60.433 0.300 . 1 . . . . 113 GLU CA . 11100 1 1307 . 1 1 113 113 GLU CB C 13 28.797 0.300 . 1 . . . . 113 GLU CB . 11100 1 1308 . 1 1 113 113 GLU CG C 13 36.956 0.300 . 1 . . . . 113 GLU CG . 11100 1 1309 . 1 1 113 113 GLU N N 15 118.232 0.300 . 1 . . . . 113 GLU N . 11100 1 1310 . 1 1 114 114 ALA H H 1 7.505 0.030 . 1 . . . . 114 ALA H . 11100 1 1311 . 1 1 114 114 ALA HA H 1 4.233 0.030 . 1 . . . . 114 ALA HA . 11100 1 1312 . 1 1 114 114 ALA HB1 H 1 1.496 0.030 . 1 . . . . 114 ALA HB . 11100 1 1313 . 1 1 114 114 ALA HB2 H 1 1.496 0.030 . 1 . . . . 114 ALA HB . 11100 1 1314 . 1 1 114 114 ALA HB3 H 1 1.496 0.030 . 1 . . . . 114 ALA HB . 11100 1 1315 . 1 1 114 114 ALA C C 13 180.531 0.300 . 1 . . . . 114 ALA C . 11100 1 1316 . 1 1 114 114 ALA CA C 13 54.887 0.300 . 1 . . . . 114 ALA CA . 11100 1 1317 . 1 1 114 114 ALA CB C 13 18.461 0.300 . 1 . . . . 114 ALA CB . 11100 1 1318 . 1 1 114 114 ALA N N 15 122.731 0.300 . 1 . . . . 114 ALA N . 11100 1 1319 . 1 1 115 115 ILE H H 1 8.286 0.030 . 1 . . . . 115 ILE H . 11100 1 1320 . 1 1 115 115 ILE HA H 1 3.567 0.030 . 1 . . . . 115 ILE HA . 11100 1 1321 . 1 1 115 115 ILE HB H 1 1.639 0.030 . 1 . . . . 115 ILE HB . 11100 1 1322 . 1 1 115 115 ILE HD11 H 1 0.841 0.030 . 1 . . . . 115 ILE HD1 . 11100 1 1323 . 1 1 115 115 ILE HD12 H 1 0.841 0.030 . 1 . . . . 115 ILE HD1 . 11100 1 1324 . 1 1 115 115 ILE HD13 H 1 0.841 0.030 . 1 . . . . 115 ILE HD1 . 11100 1 1325 . 1 1 115 115 ILE HG12 H 1 2.168 0.030 . 2 . . . . 115 ILE HG12 . 11100 1 1326 . 1 1 115 115 ILE HG13 H 1 0.760 0.030 . 2 . . . . 115 ILE HG13 . 11100 1 1327 . 1 1 115 115 ILE HG21 H 1 0.413 0.030 . 1 . . . . 115 ILE HG2 . 11100 1 1328 . 1 1 115 115 ILE HG22 H 1 0.413 0.030 . 1 . . . . 115 ILE HG2 . 11100 1 1329 . 1 1 115 115 ILE HG23 H 1 0.413 0.030 . 1 . . . . 115 ILE HG2 . 11100 1 1330 . 1 1 115 115 ILE C C 13 177.557 0.300 . 1 . . . . 115 ILE C . 11100 1 1331 . 1 1 115 115 ILE CA C 13 65.217 0.300 . 1 . . . . 115 ILE CA . 11100 1 1332 . 1 1 115 115 ILE CB C 13 38.525 0.300 . 1 . . . . 115 ILE CB . 11100 1 1333 . 1 1 115 115 ILE CD1 C 13 13.787 0.300 . 1 . . . . 115 ILE CD1 . 11100 1 1334 . 1 1 115 115 ILE CG1 C 13 29.655 0.300 . 1 . . . . 115 ILE CG1 . 11100 1 1335 . 1 1 115 115 ILE CG2 C 13 18.424 0.300 . 1 . . . . 115 ILE CG2 . 11100 1 1336 . 1 1 115 115 ILE N N 15 121.791 0.300 . 1 . . . . 115 ILE N . 11100 1 1337 . 1 1 116 116 VAL H H 1 8.219 0.030 . 1 . . . . 116 VAL H . 11100 1 1338 . 1 1 116 116 VAL HA H 1 3.369 0.030 . 1 . . . . 116 VAL HA . 11100 1 1339 . 1 1 116 116 VAL HB H 1 2.055 0.030 . 1 . . . . 116 VAL HB . 11100 1 1340 . 1 1 116 116 VAL HG11 H 1 0.836 0.030 . 1 . . . . 116 VAL HG1 . 11100 1 1341 . 1 1 116 116 VAL HG12 H 1 0.836 0.030 . 1 . . . . 116 VAL HG1 . 11100 1 1342 . 1 1 116 116 VAL HG13 H 1 0.836 0.030 . 1 . . . . 116 VAL HG1 . 11100 1 1343 . 1 1 116 116 VAL HG21 H 1 0.915 0.030 . 1 . . . . 116 VAL HG2 . 11100 1 1344 . 1 1 116 116 VAL HG22 H 1 0.915 0.030 . 1 . . . . 116 VAL HG2 . 11100 1 1345 . 1 1 116 116 VAL HG23 H 1 0.915 0.030 . 1 . . . . 116 VAL HG2 . 11100 1 1346 . 1 1 116 116 VAL C C 13 177.407 0.300 . 1 . . . . 116 VAL C . 11100 1 1347 . 1 1 116 116 VAL CA C 13 67.267 0.300 . 1 . . . . 116 VAL CA . 11100 1 1348 . 1 1 116 116 VAL CB C 13 31.583 0.300 . 1 . . . . 116 VAL CB . 11100 1 1349 . 1 1 116 116 VAL CG1 C 13 20.821 0.300 . 2 . . . . 116 VAL CG1 . 11100 1 1350 . 1 1 116 116 VAL CG2 C 13 24.358 0.300 . 2 . . . . 116 VAL CG2 . 11100 1 1351 . 1 1 116 116 VAL N N 15 119.512 0.300 . 1 . . . . 116 VAL N . 11100 1 1352 . 1 1 117 117 ASP H H 1 7.673 0.030 . 1 . . . . 117 ASP H . 11100 1 1353 . 1 1 117 117 ASP HA H 1 4.330 0.030 . 1 . . . . 117 ASP HA . 11100 1 1354 . 1 1 117 117 ASP HB2 H 1 2.753 0.030 . 2 . . . . 117 ASP HB2 . 11100 1 1355 . 1 1 117 117 ASP HB3 H 1 2.679 0.030 . 2 . . . . 117 ASP HB3 . 11100 1 1356 . 1 1 117 117 ASP C C 13 179.427 0.300 . 1 . . . . 117 ASP C . 11100 1 1357 . 1 1 117 117 ASP CA C 13 57.678 0.300 . 1 . . . . 117 ASP CA . 11100 1 1358 . 1 1 117 117 ASP CB C 13 41.159 0.300 . 1 . . . . 117 ASP CB . 11100 1 1359 . 1 1 117 117 ASP N N 15 117.671 0.300 . 1 . . . . 117 ASP N . 11100 1 1360 . 1 1 118 118 ALA H H 1 8.185 0.030 . 1 . . . . 118 ALA H . 11100 1 1361 . 1 1 118 118 ALA HA H 1 4.181 0.030 . 1 . . . . 118 ALA HA . 11100 1 1362 . 1 1 118 118 ALA HB1 H 1 1.700 0.030 . 1 . . . . 118 ALA HB . 11100 1 1363 . 1 1 118 118 ALA HB2 H 1 1.700 0.030 . 1 . . . . 118 ALA HB . 11100 1 1364 . 1 1 118 118 ALA HB3 H 1 1.700 0.030 . 1 . . . . 118 ALA HB . 11100 1 1365 . 1 1 118 118 ALA C C 13 180.971 0.300 . 1 . . . . 118 ALA C . 11100 1 1366 . 1 1 118 118 ALA CA C 13 55.022 0.300 . 1 . . . . 118 ALA CA . 11100 1 1367 . 1 1 118 118 ALA CB C 13 19.297 0.300 . 1 . . . . 118 ALA CB . 11100 1 1368 . 1 1 118 118 ALA N N 15 122.175 0.300 . 1 . . . . 118 ALA N . 11100 1 1369 . 1 1 119 119 ALA H H 1 8.720 0.030 . 1 . . . . 119 ALA H . 11100 1 1370 . 1 1 119 119 ALA HA H 1 3.854 0.030 . 1 . . . . 119 ALA HA . 11100 1 1371 . 1 1 119 119 ALA HB1 H 1 1.411 0.030 . 1 . . . . 119 ALA HB . 11100 1 1372 . 1 1 119 119 ALA HB2 H 1 1.411 0.030 . 1 . . . . 119 ALA HB . 11100 1 1373 . 1 1 119 119 ALA HB3 H 1 1.411 0.030 . 1 . . . . 119 ALA HB . 11100 1 1374 . 1 1 119 119 ALA C C 13 178.764 0.300 . 1 . . . . 119 ALA C . 11100 1 1375 . 1 1 119 119 ALA CA C 13 55.210 0.300 . 1 . . . . 119 ALA CA . 11100 1 1376 . 1 1 119 119 ALA CB C 13 19.931 0.300 . 1 . . . . 119 ALA CB . 11100 1 1377 . 1 1 119 119 ALA N N 15 123.106 0.300 . 1 . . . . 119 ALA N . 11100 1 1378 . 1 1 120 120 LEU H H 1 8.546 0.030 . 1 . . . . 120 LEU H . 11100 1 1379 . 1 1 120 120 LEU HA H 1 3.979 0.030 . 1 . . . . 120 LEU HA . 11100 1 1380 . 1 1 120 120 LEU HB2 H 1 1.905 0.030 . 2 . . . . 120 LEU HB2 . 11100 1 1381 . 1 1 120 120 LEU HB3 H 1 1.315 0.030 . 2 . . . . 120 LEU HB3 . 11100 1 1382 . 1 1 120 120 LEU HD11 H 1 0.799 0.030 . 1 . . . . 120 LEU HD1 . 11100 1 1383 . 1 1 120 120 LEU HD12 H 1 0.799 0.030 . 1 . . . . 120 LEU HD1 . 11100 1 1384 . 1 1 120 120 LEU HD13 H 1 0.799 0.030 . 1 . . . . 120 LEU HD1 . 11100 1 1385 . 1 1 120 120 LEU HD21 H 1 0.689 0.030 . 1 . . . . 120 LEU HD2 . 11100 1 1386 . 1 1 120 120 LEU HD22 H 1 0.689 0.030 . 1 . . . . 120 LEU HD2 . 11100 1 1387 . 1 1 120 120 LEU HD23 H 1 0.689 0.030 . 1 . . . . 120 LEU HD2 . 11100 1 1388 . 1 1 120 120 LEU HG H 1 1.872 0.030 . 1 . . . . 120 LEU HG . 11100 1 1389 . 1 1 120 120 LEU C C 13 180.779 0.300 . 1 . . . . 120 LEU C . 11100 1 1390 . 1 1 120 120 LEU CA C 13 57.638 0.300 . 1 . . . . 120 LEU CA . 11100 1 1391 . 1 1 120 120 LEU CB C 13 40.709 0.300 . 1 . . . . 120 LEU CB . 11100 1 1392 . 1 1 120 120 LEU CD1 C 13 25.615 0.300 . 2 . . . . 120 LEU CD1 . 11100 1 1393 . 1 1 120 120 LEU CD2 C 13 21.863 0.300 . 2 . . . . 120 LEU CD2 . 11100 1 1394 . 1 1 120 120 LEU CG C 13 26.597 0.300 . 1 . . . . 120 LEU CG . 11100 1 1395 . 1 1 120 120 LEU N N 15 115.448 0.300 . 1 . . . . 120 LEU N . 11100 1 1396 . 1 1 121 121 SER H H 1 8.068 0.030 . 1 . . . . 121 SER H . 11100 1 1397 . 1 1 121 121 SER HA H 1 4.200 0.030 . 1 . . . . 121 SER HA . 11100 1 1398 . 1 1 121 121 SER HB2 H 1 3.955 0.030 . 2 . . . . 121 SER HB2 . 11100 1 1399 . 1 1 121 121 SER HB3 H 1 4.027 0.030 . 2 . . . . 121 SER HB3 . 11100 1 1400 . 1 1 121 121 SER C C 13 176.996 0.300 . 1 . . . . 121 SER C . 11100 1 1401 . 1 1 121 121 SER CA C 13 61.593 0.300 . 1 . . . . 121 SER CA . 11100 1 1402 . 1 1 121 121 SER CB C 13 62.786 0.300 . 1 . . . . 121 SER CB . 11100 1 1403 . 1 1 121 121 SER N N 15 114.782 0.300 . 1 . . . . 121 SER N . 11100 1 1404 . 1 1 122 122 ALA H H 1 7.895 0.030 . 1 . . . . 122 ALA H . 11100 1 1405 . 1 1 122 122 ALA HA H 1 4.209 0.030 . 1 . . . . 122 ALA HA . 11100 1 1406 . 1 1 122 122 ALA HB1 H 1 1.525 0.030 . 1 . . . . 122 ALA HB . 11100 1 1407 . 1 1 122 122 ALA HB2 H 1 1.525 0.030 . 1 . . . . 122 ALA HB . 11100 1 1408 . 1 1 122 122 ALA HB3 H 1 1.525 0.030 . 1 . . . . 122 ALA HB . 11100 1 1409 . 1 1 122 122 ALA C C 13 179.978 0.300 . 1 . . . . 122 ALA C . 11100 1 1410 . 1 1 122 122 ALA CA C 13 54.453 0.300 . 1 . . . . 122 ALA CA . 11100 1 1411 . 1 1 122 122 ALA CB C 13 17.760 0.300 . 1 . . . . 122 ALA CB . 11100 1 1412 . 1 1 122 122 ALA N N 15 124.329 0.300 . 1 . . . . 122 ALA N . 11100 1 1413 . 1 1 123 123 LEU H H 1 7.883 0.030 . 1 . . . . 123 LEU H . 11100 1 1414 . 1 1 123 123 LEU HA H 1 4.089 0.030 . 1 . . . . 123 LEU HA . 11100 1 1415 . 1 1 123 123 LEU HB2 H 1 1.774 0.030 . 2 . . . . 123 LEU HB2 . 11100 1 1416 . 1 1 123 123 LEU HB3 H 1 1.670 0.030 . 2 . . . . 123 LEU HB3 . 11100 1 1417 . 1 1 123 123 LEU HD11 H 1 0.898 0.030 . 1 . . . . 123 LEU HD1 . 11100 1 1418 . 1 1 123 123 LEU HD12 H 1 0.898 0.030 . 1 . . . . 123 LEU HD1 . 11100 1 1419 . 1 1 123 123 LEU HD13 H 1 0.898 0.030 . 1 . . . . 123 LEU HD1 . 11100 1 1420 . 1 1 123 123 LEU HD21 H 1 0.846 0.030 . 1 . . . . 123 LEU HD2 . 11100 1 1421 . 1 1 123 123 LEU HD22 H 1 0.846 0.030 . 1 . . . . 123 LEU HD2 . 11100 1 1422 . 1 1 123 123 LEU HD23 H 1 0.846 0.030 . 1 . . . . 123 LEU HD2 . 11100 1 1423 . 1 1 123 123 LEU HG H 1 1.684 0.030 . 1 . . . . 123 LEU HG . 11100 1 1424 . 1 1 123 123 LEU C C 13 178.475 0.300 . 1 . . . . 123 LEU C . 11100 1 1425 . 1 1 123 123 LEU CA C 13 56.995 0.300 . 1 . . . . 123 LEU CA . 11100 1 1426 . 1 1 123 123 LEU CB C 13 42.831 0.300 . 1 . . . . 123 LEU CB . 11100 1 1427 . 1 1 123 123 LEU CD1 C 13 24.855 0.300 . 2 . . . . 123 LEU CD1 . 11100 1 1428 . 1 1 123 123 LEU CD2 C 13 25.054 0.300 . 2 . . . . 123 LEU CD2 . 11100 1 1429 . 1 1 123 123 LEU CG C 13 26.401 0.300 . 1 . . . . 123 LEU CG . 11100 1 1430 . 1 1 123 123 LEU N N 15 119.065 0.300 . 1 . . . . 123 LEU N . 11100 1 1431 . 1 1 124 124 ARG H H 1 7.697 0.030 . 1 . . . . 124 ARG H . 11100 1 1432 . 1 1 124 124 ARG HA H 1 4.300 0.030 . 1 . . . . 124 ARG HA . 11100 1 1433 . 1 1 124 124 ARG HB2 H 1 1.960 0.030 . 2 . . . . 124 ARG HB2 . 11100 1 1434 . 1 1 124 124 ARG HB3 H 1 1.890 0.030 . 2 . . . . 124 ARG HB3 . 11100 1 1435 . 1 1 124 124 ARG HD2 H 1 3.200 0.030 . 2 . . . . 124 ARG HD2 . 11100 1 1436 . 1 1 124 124 ARG HD3 H 1 3.170 0.030 . 2 . . . . 124 ARG HD3 . 11100 1 1437 . 1 1 124 124 ARG HG2 H 1 1.762 0.030 . 2 . . . . 124 ARG HG2 . 11100 1 1438 . 1 1 124 124 ARG HG3 H 1 1.674 0.030 . 2 . . . . 124 ARG HG3 . 11100 1 1439 . 1 1 124 124 ARG C C 13 176.836 0.300 . 1 . . . . 124 ARG C . 11100 1 1440 . 1 1 124 124 ARG CA C 13 57.024 0.300 . 1 . . . . 124 ARG CA . 11100 1 1441 . 1 1 124 124 ARG CB C 13 30.543 0.300 . 1 . . . . 124 ARG CB . 11100 1 1442 . 1 1 124 124 ARG CD C 13 43.562 0.300 . 1 . . . . 124 ARG CD . 11100 1 1443 . 1 1 124 124 ARG CG C 13 27.601 0.300 . 1 . . . . 124 ARG CG . 11100 1 1444 . 1 1 124 124 ARG N N 15 117.195 0.300 . 1 . . . . 124 ARG N . 11100 1 1445 . 1 1 125 125 SER H H 1 7.892 0.030 . 1 . . . . 125 SER H . 11100 1 1446 . 1 1 125 125 SER HA H 1 4.460 0.030 . 1 . . . . 125 SER HA . 11100 1 1447 . 1 1 125 125 SER HB2 H 1 3.960 0.030 . 1 . . . . 125 SER HB2 . 11100 1 1448 . 1 1 125 125 SER HB3 H 1 3.960 0.030 . 1 . . . . 125 SER HB3 . 11100 1 1449 . 1 1 125 125 SER C C 13 174.715 0.300 . 1 . . . . 125 SER C . 11100 1 1450 . 1 1 125 125 SER CA C 13 58.974 0.300 . 1 . . . . 125 SER CA . 11100 1 1451 . 1 1 125 125 SER CB C 13 63.965 0.300 . 1 . . . . 125 SER CB . 11100 1 1452 . 1 1 125 125 SER N N 15 114.967 0.300 . 1 . . . . 125 SER N . 11100 1 1453 . 1 1 126 126 GLY H H 1 8.064 0.030 . 1 . . . . 126 GLY H . 11100 1 1454 . 1 1 126 126 GLY HA2 H 1 4.222 0.030 . 2 . . . . 126 GLY HA2 . 11100 1 1455 . 1 1 126 126 GLY HA3 H 1 4.101 0.030 . 2 . . . . 126 GLY HA3 . 11100 1 1456 . 1 1 126 126 GLY C C 13 171.889 0.300 . 1 . . . . 126 GLY C . 11100 1 1457 . 1 1 126 126 GLY CA C 13 44.881 0.300 . 1 . . . . 126 GLY CA . 11100 1 1458 . 1 1 126 126 GLY N N 15 110.363 0.300 . 1 . . . . 126 GLY N . 11100 1 1459 . 1 1 127 127 PRO HA H 1 4.504 0.030 . 1 . . . . 127 PRO HA . 11100 1 1460 . 1 1 127 127 PRO HB2 H 1 2.307 0.030 . 2 . . . . 127 PRO HB2 . 11100 1 1461 . 1 1 127 127 PRO HB3 H 1 1.991 0.030 . 2 . . . . 127 PRO HB3 . 11100 1 1462 . 1 1 127 127 PRO HD2 H 1 3.666 0.030 . 1 . . . . 127 PRO HD2 . 11100 1 1463 . 1 1 127 127 PRO HD3 H 1 3.666 0.030 . 1 . . . . 127 PRO HD3 . 11100 1 1464 . 1 1 127 127 PRO HG2 H 1 2.032 0.030 . 2 . . . . 127 PRO HG2 . 11100 1 1465 . 1 1 127 127 PRO C C 13 177.418 0.300 . 1 . . . . 127 PRO C . 11100 1 1466 . 1 1 127 127 PRO CA C 13 63.310 0.300 . 1 . . . . 127 PRO CA . 11100 1 1467 . 1 1 127 127 PRO CB C 13 32.205 0.300 . 1 . . . . 127 PRO CB . 11100 1 1468 . 1 1 127 127 PRO CD C 13 49.857 0.300 . 1 . . . . 127 PRO CD . 11100 1 1469 . 1 1 127 127 PRO CG C 13 27.217 0.300 . 1 . . . . 127 PRO CG . 11100 1 1470 . 1 1 128 128 SER H H 1 8.554 0.030 . 1 . . . . 128 SER H . 11100 1 1471 . 1 1 128 128 SER HA H 1 4.519 0.030 . 1 . . . . 128 SER HA . 11100 1 1472 . 1 1 128 128 SER HB2 H 1 3.906 0.030 . 2 . . . . 128 SER HB2 . 11100 1 1473 . 1 1 128 128 SER C C 13 174.715 0.300 . 1 . . . . 128 SER C . 11100 1 1474 . 1 1 128 128 SER CA C 13 58.385 0.300 . 1 . . . . 128 SER CA . 11100 1 1475 . 1 1 128 128 SER CB C 13 63.811 0.300 . 1 . . . . 128 SER CB . 11100 1 1476 . 1 1 128 128 SER N N 15 116.410 0.300 . 1 . . . . 128 SER N . 11100 1 1477 . 1 1 129 129 SER H H 1 8.365 0.030 . 1 . . . . 129 SER H . 11100 1 1478 . 1 1 129 129 SER HA H 1 4.483 0.030 . 1 . . . . 129 SER HA . 11100 1 1479 . 1 1 129 129 SER HB2 H 1 3.906 0.030 . 2 . . . . 129 SER HB2 . 11100 1 1480 . 1 1 129 129 SER C C 13 174.000 0.300 . 1 . . . . 129 SER C . 11100 1 1481 . 1 1 129 129 SER CA C 13 58.422 0.300 . 1 . . . . 129 SER CA . 11100 1 1482 . 1 1 129 129 SER CB C 13 64.019 0.300 . 1 . . . . 129 SER CB . 11100 1 1483 . 1 1 129 129 SER N N 15 117.929 0.300 . 1 . . . . 129 SER N . 11100 1 1484 . 1 1 130 130 GLY H H 1 8.071 0.030 . 1 . . . . 130 GLY H . 11100 1 1485 . 1 1 130 130 GLY HA2 H 1 3.794 0.030 . 2 . . . . 130 GLY HA2 . 11100 1 1486 . 1 1 130 130 GLY HA3 H 1 3.762 0.030 . 2 . . . . 130 GLY HA3 . 11100 1 1487 . 1 1 130 130 GLY C C 13 179.030 0.300 . 1 . . . . 130 GLY C . 11100 1 1488 . 1 1 130 130 GLY CA C 13 46.234 0.300 . 1 . . . . 130 GLY CA . 11100 1 1489 . 1 1 130 130 GLY N N 15 116.885 0.300 . 1 . . . . 130 GLY N . 11100 1 stop_ save_