data_11101 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11101 _Entry.Title ; The solution structure of the first thioredoxin domain of mouse Protein disulfide-isomerase A4 ; _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 . . . 11101 2 S. Koshiba . . . 11101 3 M. Inoue . . . 11101 4 T. Kigawa . . . 11101 5 S. Yokoyama . . . 11101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 600 11101 '15N chemical shifts' 137 11101 '1H chemical shifts' 903 11101 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 . 11101 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJ1 'BMRB Entry Tracking System' 11101 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11101 _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 A4 ; _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 . . . 11101 1 2 S. Koshiba . . . 11101 1 3 M. Inoue . . . 11101 1 4 T. Kigawa . . . 11101 1 5 S. Yokoyama . . . 11101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11101 _Assembly.ID 1 _Assembly.Name 'Protein disulfide-isomerase A4' _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 . . . 11101 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 2dj1 . . . . . . 11101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11101 _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 ; GSSGSSGDDDLEVKEENGVW VLNDGNFDNFVADKDTVLLE FYAPWCGHCKQFAPEYEKIA STLKDNDPPIAVAKIDATSA SMLASKFDVSGYPTIKILKK GQAVDYDGSRTQEEIVAKVR EVSQPDWTPPPEVTSGPSSG ; _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 140 _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 2DJ1 . "The Solution Structure Of The First Thioredoxin Domain Of Mouse Protein Disulfide-Isomerase A4" . . . . . 100.00 140 100.00 100.00 1.26e-96 . . . . 11101 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 . 11101 1 2 . SER . 11101 1 3 . SER . 11101 1 4 . GLY . 11101 1 5 . SER . 11101 1 6 . SER . 11101 1 7 . GLY . 11101 1 8 . ASP . 11101 1 9 . ASP . 11101 1 10 . ASP . 11101 1 11 . LEU . 11101 1 12 . GLU . 11101 1 13 . VAL . 11101 1 14 . LYS . 11101 1 15 . GLU . 11101 1 16 . GLU . 11101 1 17 . ASN . 11101 1 18 . GLY . 11101 1 19 . VAL . 11101 1 20 . TRP . 11101 1 21 . VAL . 11101 1 22 . LEU . 11101 1 23 . ASN . 11101 1 24 . ASP . 11101 1 25 . GLY . 11101 1 26 . ASN . 11101 1 27 . PHE . 11101 1 28 . ASP . 11101 1 29 . ASN . 11101 1 30 . PHE . 11101 1 31 . VAL . 11101 1 32 . ALA . 11101 1 33 . ASP . 11101 1 34 . LYS . 11101 1 35 . ASP . 11101 1 36 . THR . 11101 1 37 . VAL . 11101 1 38 . LEU . 11101 1 39 . LEU . 11101 1 40 . GLU . 11101 1 41 . PHE . 11101 1 42 . TYR . 11101 1 43 . ALA . 11101 1 44 . PRO . 11101 1 45 . TRP . 11101 1 46 . CYS . 11101 1 47 . GLY . 11101 1 48 . HIS . 11101 1 49 . CYS . 11101 1 50 . LYS . 11101 1 51 . GLN . 11101 1 52 . PHE . 11101 1 53 . ALA . 11101 1 54 . PRO . 11101 1 55 . GLU . 11101 1 56 . TYR . 11101 1 57 . GLU . 11101 1 58 . LYS . 11101 1 59 . ILE . 11101 1 60 . ALA . 11101 1 61 . SER . 11101 1 62 . THR . 11101 1 63 . LEU . 11101 1 64 . LYS . 11101 1 65 . ASP . 11101 1 66 . ASN . 11101 1 67 . ASP . 11101 1 68 . PRO . 11101 1 69 . PRO . 11101 1 70 . ILE . 11101 1 71 . ALA . 11101 1 72 . VAL . 11101 1 73 . ALA . 11101 1 74 . LYS . 11101 1 75 . ILE . 11101 1 76 . ASP . 11101 1 77 . ALA . 11101 1 78 . THR . 11101 1 79 . SER . 11101 1 80 . ALA . 11101 1 81 . SER . 11101 1 82 . MET . 11101 1 83 . LEU . 11101 1 84 . ALA . 11101 1 85 . SER . 11101 1 86 . LYS . 11101 1 87 . PHE . 11101 1 88 . ASP . 11101 1 89 . VAL . 11101 1 90 . SER . 11101 1 91 . GLY . 11101 1 92 . TYR . 11101 1 93 . PRO . 11101 1 94 . THR . 11101 1 95 . ILE . 11101 1 96 . LYS . 11101 1 97 . ILE . 11101 1 98 . LEU . 11101 1 99 . LYS . 11101 1 100 . LYS . 11101 1 101 . GLY . 11101 1 102 . GLN . 11101 1 103 . ALA . 11101 1 104 . VAL . 11101 1 105 . ASP . 11101 1 106 . TYR . 11101 1 107 . ASP . 11101 1 108 . GLY . 11101 1 109 . SER . 11101 1 110 . ARG . 11101 1 111 . THR . 11101 1 112 . GLN . 11101 1 113 . GLU . 11101 1 114 . GLU . 11101 1 115 . ILE . 11101 1 116 . VAL . 11101 1 117 . ALA . 11101 1 118 . LYS . 11101 1 119 . VAL . 11101 1 120 . ARG . 11101 1 121 . GLU . 11101 1 122 . VAL . 11101 1 123 . SER . 11101 1 124 . GLN . 11101 1 125 . PRO . 11101 1 126 . ASP . 11101 1 127 . TRP . 11101 1 128 . THR . 11101 1 129 . PRO . 11101 1 130 . PRO . 11101 1 131 . PRO . 11101 1 132 . GLU . 11101 1 133 . VAL . 11101 1 134 . THR . 11101 1 135 . SER . 11101 1 136 . GLY . 11101 1 137 . PRO . 11101 1 138 . SER . 11101 1 139 . SER . 11101 1 140 . GLY . 11101 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 11101 1 . SER 2 2 11101 1 . SER 3 3 11101 1 . GLY 4 4 11101 1 . SER 5 5 11101 1 . SER 6 6 11101 1 . GLY 7 7 11101 1 . ASP 8 8 11101 1 . ASP 9 9 11101 1 . ASP 10 10 11101 1 . LEU 11 11 11101 1 . GLU 12 12 11101 1 . VAL 13 13 11101 1 . LYS 14 14 11101 1 . GLU 15 15 11101 1 . GLU 16 16 11101 1 . ASN 17 17 11101 1 . GLY 18 18 11101 1 . VAL 19 19 11101 1 . TRP 20 20 11101 1 . VAL 21 21 11101 1 . LEU 22 22 11101 1 . ASN 23 23 11101 1 . ASP 24 24 11101 1 . GLY 25 25 11101 1 . ASN 26 26 11101 1 . PHE 27 27 11101 1 . ASP 28 28 11101 1 . ASN 29 29 11101 1 . PHE 30 30 11101 1 . VAL 31 31 11101 1 . ALA 32 32 11101 1 . ASP 33 33 11101 1 . LYS 34 34 11101 1 . ASP 35 35 11101 1 . THR 36 36 11101 1 . VAL 37 37 11101 1 . LEU 38 38 11101 1 . LEU 39 39 11101 1 . GLU 40 40 11101 1 . PHE 41 41 11101 1 . TYR 42 42 11101 1 . ALA 43 43 11101 1 . PRO 44 44 11101 1 . TRP 45 45 11101 1 . CYS 46 46 11101 1 . GLY 47 47 11101 1 . HIS 48 48 11101 1 . CYS 49 49 11101 1 . LYS 50 50 11101 1 . GLN 51 51 11101 1 . PHE 52 52 11101 1 . ALA 53 53 11101 1 . PRO 54 54 11101 1 . GLU 55 55 11101 1 . TYR 56 56 11101 1 . GLU 57 57 11101 1 . LYS 58 58 11101 1 . ILE 59 59 11101 1 . ALA 60 60 11101 1 . SER 61 61 11101 1 . THR 62 62 11101 1 . LEU 63 63 11101 1 . LYS 64 64 11101 1 . ASP 65 65 11101 1 . ASN 66 66 11101 1 . ASP 67 67 11101 1 . PRO 68 68 11101 1 . PRO 69 69 11101 1 . ILE 70 70 11101 1 . ALA 71 71 11101 1 . VAL 72 72 11101 1 . ALA 73 73 11101 1 . LYS 74 74 11101 1 . ILE 75 75 11101 1 . ASP 76 76 11101 1 . ALA 77 77 11101 1 . THR 78 78 11101 1 . SER 79 79 11101 1 . ALA 80 80 11101 1 . SER 81 81 11101 1 . MET 82 82 11101 1 . LEU 83 83 11101 1 . ALA 84 84 11101 1 . SER 85 85 11101 1 . LYS 86 86 11101 1 . PHE 87 87 11101 1 . ASP 88 88 11101 1 . VAL 89 89 11101 1 . SER 90 90 11101 1 . GLY 91 91 11101 1 . TYR 92 92 11101 1 . PRO 93 93 11101 1 . THR 94 94 11101 1 . ILE 95 95 11101 1 . LYS 96 96 11101 1 . ILE 97 97 11101 1 . LEU 98 98 11101 1 . LYS 99 99 11101 1 . LYS 100 100 11101 1 . GLY 101 101 11101 1 . GLN 102 102 11101 1 . ALA 103 103 11101 1 . VAL 104 104 11101 1 . ASP 105 105 11101 1 . TYR 106 106 11101 1 . ASP 107 107 11101 1 . GLY 108 108 11101 1 . SER 109 109 11101 1 . ARG 110 110 11101 1 . THR 111 111 11101 1 . GLN 112 112 11101 1 . GLU 113 113 11101 1 . GLU 114 114 11101 1 . ILE 115 115 11101 1 . VAL 116 116 11101 1 . ALA 117 117 11101 1 . LYS 118 118 11101 1 . VAL 119 119 11101 1 . ARG 120 120 11101 1 . GLU 121 121 11101 1 . VAL 122 122 11101 1 . SER 123 123 11101 1 . GLN 124 124 11101 1 . PRO 125 125 11101 1 . ASP 126 126 11101 1 . TRP 127 127 11101 1 . THR 128 128 11101 1 . PRO 129 129 11101 1 . PRO 130 130 11101 1 . PRO 131 131 11101 1 . GLU 132 132 11101 1 . VAL 133 133 11101 1 . THR 134 134 11101 1 . SER 135 135 11101 1 . GLY 136 136 11101 1 . PRO 137 137 11101 1 . SER 138 138 11101 1 . SER 139 139 11101 1 . GLY 140 140 11101 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 11101 _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 . . . . . . . . . . . . . . . . . . . . . 11101 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 11101 _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 . . . . . . . . . . . . . . . . P050509-10 . . . . . . 11101 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11101 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2mM Thioredoxin domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 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 'Thioredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 11101 1 2 d-Tris-HCl [U-2H] . . . . . buffer 20 . . mM . . . . 11101 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11101 1 4 d-DTT [U-2H] . . . . . salt 1 . . mM . . . . 11101 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11101 1 6 H2O . . . . . . solvent 90 . . % . . . . 11101 1 7 D2O . . . . . . solvent 10 . . % . . . . 11101 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 11101 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11101 1 pH 7.0 0.05 pH 11101 1 pressure 1 0.001 atm 11101 1 temperature 296 0.1 K 11101 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11101 _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 . . 11101 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11101 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11101 _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.' . . 11101 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11101 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11101 _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.' . . 11101 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11101 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11101 _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.' . . 11101 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11101 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11101 _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.' . . 11101 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11101 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 11101 _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 11101 _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 . . . 11101 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 11101 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11101 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11101 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 11101 _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 . . . . . . . . . 11101 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11101 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11101 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 11101 _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 15N-SEPARATED NOESY' 1 $sample_1 isotropic 11101 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11101 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 . . 11101 1 2 $NMRPipe . . 11101 1 3 $NMRVIEW . . 11101 1 4 $KUJIRA . . 11101 1 5 $CYANA . . 11101 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.574 0.030 . 1 . . . . 2 SER HA . 11101 1 2 . 1 1 2 2 SER HB2 H 1 3.922 0.030 . 2 . . . . 2 SER HB2 . 11101 1 3 . 1 1 2 2 SER C C 13 174.855 0.300 . 1 . . . . 2 SER C . 11101 1 4 . 1 1 2 2 SER CA C 13 58.177 0.300 . 1 . . . . 2 SER CA . 11101 1 5 . 1 1 2 2 SER CB C 13 64.023 0.300 . 1 . . . . 2 SER CB . 11101 1 6 . 1 1 3 3 SER H H 1 8.547 0.030 . 1 . . . . 3 SER H . 11101 1 7 . 1 1 3 3 SER HA H 1 4.516 0.030 . 1 . . . . 3 SER HA . 11101 1 8 . 1 1 3 3 SER HB2 H 1 3.912 0.030 . 2 . . . . 3 SER HB2 . 11101 1 9 . 1 1 3 3 SER C C 13 174.999 0.300 . 1 . . . . 3 SER C . 11101 1 10 . 1 1 3 3 SER CA C 13 58.678 0.300 . 1 . . . . 3 SER CA . 11101 1 11 . 1 1 3 3 SER CB C 13 63.933 0.300 . 1 . . . . 3 SER CB . 11101 1 12 . 1 1 3 3 SER N N 15 118.081 0.300 . 1 . . . . 3 SER N . 11101 1 13 . 1 1 4 4 GLY H H 1 8.458 0.030 . 1 . . . . 4 GLY H . 11101 1 14 . 1 1 4 4 GLY HA2 H 1 4.082 0.030 . 2 . . . . 4 GLY HA2 . 11101 1 15 . 1 1 4 4 GLY C C 13 174.210 0.300 . 1 . . . . 4 GLY C . 11101 1 16 . 1 1 4 4 GLY CA C 13 45.442 0.300 . 1 . . . . 4 GLY CA . 11101 1 17 . 1 1 4 4 GLY N N 15 111.027 0.300 . 1 . . . . 4 GLY N . 11101 1 18 . 1 1 5 5 SER H H 1 8.299 0.030 . 1 . . . . 5 SER H . 11101 1 19 . 1 1 5 5 SER HA H 1 4.516 0.030 . 1 . . . . 5 SER HA . 11101 1 20 . 1 1 5 5 SER HB2 H 1 3.912 0.030 . 2 . . . . 5 SER HB2 . 11101 1 21 . 1 1 5 5 SER C C 13 174.740 0.300 . 1 . . . . 5 SER C . 11101 1 22 . 1 1 5 5 SER CA C 13 58.310 0.300 . 1 . . . . 5 SER CA . 11101 1 23 . 1 1 5 5 SER CB C 13 63.899 0.300 . 1 . . . . 5 SER CB . 11101 1 24 . 1 1 5 5 SER N N 15 115.962 0.300 . 1 . . . . 5 SER N . 11101 1 25 . 1 1 6 6 SER H H 1 8.345 0.030 . 1 . . . . 6 SER H . 11101 1 26 . 1 1 6 6 SER C C 13 173.992 0.300 . 1 . . . . 6 SER C . 11101 1 27 . 1 1 6 6 SER N N 15 117.949 0.300 . 1 . . . . 6 SER N . 11101 1 28 . 1 1 7 7 GLY HA2 H 1 3.996 0.030 . 2 . . . . 7 GLY HA2 . 11101 1 29 . 1 1 7 7 GLY C C 13 174.123 0.300 . 1 . . . . 7 GLY C . 11101 1 30 . 1 1 7 7 GLY CA C 13 45.428 0.300 . 1 . . . . 7 GLY CA . 11101 1 31 . 1 1 8 8 ASP H H 1 8.245 0.030 . 1 . . . . 8 ASP H . 11101 1 32 . 1 1 8 8 ASP HA H 1 4.618 0.030 . 1 . . . . 8 ASP HA . 11101 1 33 . 1 1 8 8 ASP HB2 H 1 2.694 0.030 . 2 . . . . 8 ASP HB2 . 11101 1 34 . 1 1 8 8 ASP HB3 H 1 2.572 0.030 . 2 . . . . 8 ASP HB3 . 11101 1 35 . 1 1 8 8 ASP C C 13 176.401 0.300 . 1 . . . . 8 ASP C . 11101 1 36 . 1 1 8 8 ASP CA C 13 54.733 0.300 . 1 . . . . 8 ASP CA . 11101 1 37 . 1 1 8 8 ASP CB C 13 41.159 0.300 . 1 . . . . 8 ASP CB . 11101 1 38 . 1 1 8 8 ASP N N 15 120.535 0.300 . 1 . . . . 8 ASP N . 11101 1 39 . 1 1 9 9 ASP H H 1 8.333 0.030 . 1 . . . . 9 ASP H . 11101 1 40 . 1 1 9 9 ASP HA H 1 4.562 0.030 . 1 . . . . 9 ASP HA . 11101 1 41 . 1 1 9 9 ASP HB2 H 1 2.714 0.030 . 2 . . . . 9 ASP HB2 . 11101 1 42 . 1 1 9 9 ASP C C 13 176.370 0.300 . 1 . . . . 9 ASP C . 11101 1 43 . 1 1 9 9 ASP CA C 13 54.806 0.300 . 1 . . . . 9 ASP CA . 11101 1 44 . 1 1 9 9 ASP CB C 13 41.040 0.300 . 1 . . . . 9 ASP CB . 11101 1 45 . 1 1 9 9 ASP N N 15 120.582 0.300 . 1 . . . . 9 ASP N . 11101 1 46 . 1 1 10 10 ASP H H 1 8.353 0.030 . 1 . . . . 10 ASP H . 11101 1 47 . 1 1 10 10 ASP HA H 1 4.580 0.030 . 1 . . . . 10 ASP HA . 11101 1 48 . 1 1 10 10 ASP HB2 H 1 2.718 0.030 . 2 . . . . 10 ASP HB2 . 11101 1 49 . 1 1 10 10 ASP HB3 H 1 2.625 0.030 . 2 . . . . 10 ASP HB3 . 11101 1 50 . 1 1 10 10 ASP C C 13 176.374 0.300 . 1 . . . . 10 ASP C . 11101 1 51 . 1 1 10 10 ASP CA C 13 54.835 0.300 . 1 . . . . 10 ASP CA . 11101 1 52 . 1 1 10 10 ASP CB C 13 41.034 0.300 . 1 . . . . 10 ASP CB . 11101 1 53 . 1 1 10 10 ASP N N 15 120.502 0.300 . 1 . . . . 10 ASP N . 11101 1 54 . 1 1 11 11 LEU H H 1 8.091 0.030 . 1 . . . . 11 LEU H . 11101 1 55 . 1 1 11 11 LEU HA H 1 4.305 0.030 . 1 . . . . 11 LEU HA . 11101 1 56 . 1 1 11 11 LEU HB2 H 1 1.718 0.030 . 2 . . . . 11 LEU HB2 . 11101 1 57 . 1 1 11 11 LEU HB3 H 1 1.611 0.030 . 2 . . . . 11 LEU HB3 . 11101 1 58 . 1 1 11 11 LEU HD11 H 1 0.950 0.030 . 1 . . . . 11 LEU HD1 . 11101 1 59 . 1 1 11 11 LEU HD12 H 1 0.950 0.030 . 1 . . . . 11 LEU HD1 . 11101 1 60 . 1 1 11 11 LEU HD13 H 1 0.950 0.030 . 1 . . . . 11 LEU HD1 . 11101 1 61 . 1 1 11 11 LEU HD21 H 1 0.862 0.030 . 1 . . . . 11 LEU HD2 . 11101 1 62 . 1 1 11 11 LEU HD22 H 1 0.862 0.030 . 1 . . . . 11 LEU HD2 . 11101 1 63 . 1 1 11 11 LEU HD23 H 1 0.862 0.030 . 1 . . . . 11 LEU HD2 . 11101 1 64 . 1 1 11 11 LEU HG H 1 1.645 0.030 . 1 . . . . 11 LEU HG . 11101 1 65 . 1 1 11 11 LEU C C 13 177.620 0.300 . 1 . . . . 11 LEU C . 11101 1 66 . 1 1 11 11 LEU CA C 13 55.057 0.300 . 1 . . . . 11 LEU CA . 11101 1 67 . 1 1 11 11 LEU CB C 13 42.325 0.300 . 1 . . . . 11 LEU CB . 11101 1 68 . 1 1 11 11 LEU CD1 C 13 25.214 0.300 . 2 . . . . 11 LEU CD1 . 11101 1 69 . 1 1 11 11 LEU CD2 C 13 23.329 0.300 . 2 . . . . 11 LEU CD2 . 11101 1 70 . 1 1 11 11 LEU CG C 13 26.993 0.300 . 1 . . . . 11 LEU CG . 11101 1 71 . 1 1 11 11 LEU N N 15 120.415 0.300 . 1 . . . . 11 LEU N . 11101 1 72 . 1 1 12 12 GLU H H 1 8.043 0.030 . 1 . . . . 12 GLU H . 11101 1 73 . 1 1 12 12 GLU HA H 1 4.233 0.030 . 1 . . . . 12 GLU HA . 11101 1 74 . 1 1 12 12 GLU HB2 H 1 2.031 0.030 . 1 . . . . 12 GLU HB2 . 11101 1 75 . 1 1 12 12 GLU HB3 H 1 2.031 0.030 . 1 . . . . 12 GLU HB3 . 11101 1 76 . 1 1 12 12 GLU HG2 H 1 2.308 0.030 . 2 . . . . 12 GLU HG2 . 11101 1 77 . 1 1 12 12 GLU HG3 H 1 2.194 0.030 . 2 . . . . 12 GLU HG3 . 11101 1 78 . 1 1 12 12 GLU C C 13 176.219 0.300 . 1 . . . . 12 GLU C . 11101 1 79 . 1 1 12 12 GLU CA C 13 56.879 0.300 . 1 . . . . 12 GLU CA . 11101 1 80 . 1 1 12 12 GLU CB C 13 30.477 0.300 . 1 . . . . 12 GLU CB . 11101 1 81 . 1 1 12 12 GLU CG C 13 36.282 0.300 . 1 . . . . 12 GLU CG . 11101 1 82 . 1 1 12 12 GLU N N 15 121.739 0.300 . 1 . . . . 12 GLU N . 11101 1 83 . 1 1 13 13 VAL H H 1 8.458 0.030 . 1 . . . . 13 VAL H . 11101 1 84 . 1 1 13 13 VAL HA H 1 4.219 0.030 . 1 . . . . 13 VAL HA . 11101 1 85 . 1 1 13 13 VAL HB H 1 1.992 0.030 . 1 . . . . 13 VAL HB . 11101 1 86 . 1 1 13 13 VAL HG11 H 1 0.874 0.030 . 1 . . . . 13 VAL HG1 . 11101 1 87 . 1 1 13 13 VAL HG12 H 1 0.874 0.030 . 1 . . . . 13 VAL HG1 . 11101 1 88 . 1 1 13 13 VAL HG13 H 1 0.874 0.030 . 1 . . . . 13 VAL HG1 . 11101 1 89 . 1 1 13 13 VAL HG21 H 1 0.937 0.030 . 1 . . . . 13 VAL HG2 . 11101 1 90 . 1 1 13 13 VAL HG22 H 1 0.937 0.030 . 1 . . . . 13 VAL HG2 . 11101 1 91 . 1 1 13 13 VAL HG23 H 1 0.937 0.030 . 1 . . . . 13 VAL HG2 . 11101 1 92 . 1 1 13 13 VAL C C 13 175.195 0.300 . 1 . . . . 13 VAL C . 11101 1 93 . 1 1 13 13 VAL CA C 13 62.343 0.300 . 1 . . . . 13 VAL CA . 11101 1 94 . 1 1 13 13 VAL CB C 13 32.529 0.300 . 1 . . . . 13 VAL CB . 11101 1 95 . 1 1 13 13 VAL CG1 C 13 22.425 0.300 . 2 . . . . 13 VAL CG1 . 11101 1 96 . 1 1 13 13 VAL CG2 C 13 21.492 0.300 . 2 . . . . 13 VAL CG2 . 11101 1 97 . 1 1 13 13 VAL N N 15 125.257 0.300 . 1 . . . . 13 VAL N . 11101 1 98 . 1 1 14 14 LYS H H 1 9.177 0.030 . 1 . . . . 14 LYS H . 11101 1 99 . 1 1 14 14 LYS HA H 1 4.637 0.030 . 1 . . . . 14 LYS HA . 11101 1 100 . 1 1 14 14 LYS HB2 H 1 1.865 0.030 . 2 . . . . 14 LYS HB2 . 11101 1 101 . 1 1 14 14 LYS HB3 H 1 1.749 0.030 . 2 . . . . 14 LYS HB3 . 11101 1 102 . 1 1 14 14 LYS HD2 H 1 1.659 0.030 . 1 . . . . 14 LYS HD2 . 11101 1 103 . 1 1 14 14 LYS HD3 H 1 1.659 0.030 . 1 . . . . 14 LYS HD3 . 11101 1 104 . 1 1 14 14 LYS HE2 H 1 2.970 0.030 . 2 . . . . 14 LYS HE2 . 11101 1 105 . 1 1 14 14 LYS HG2 H 1 1.432 0.030 . 1 . . . . 14 LYS HG2 . 11101 1 106 . 1 1 14 14 LYS HG3 H 1 1.432 0.030 . 1 . . . . 14 LYS HG3 . 11101 1 107 . 1 1 14 14 LYS C C 13 174.379 0.300 . 1 . . . . 14 LYS C . 11101 1 108 . 1 1 14 14 LYS CA C 13 55.159 0.300 . 1 . . . . 14 LYS CA . 11101 1 109 . 1 1 14 14 LYS CB C 13 34.481 0.300 . 1 . . . . 14 LYS CB . 11101 1 110 . 1 1 14 14 LYS CD C 13 28.926 0.300 . 1 . . . . 14 LYS CD . 11101 1 111 . 1 1 14 14 LYS CE C 13 42.262 0.300 . 1 . . . . 14 LYS CE . 11101 1 112 . 1 1 14 14 LYS CG C 13 25.077 0.300 . 1 . . . . 14 LYS CG . 11101 1 113 . 1 1 14 14 LYS N N 15 127.815 0.300 . 1 . . . . 14 LYS N . 11101 1 114 . 1 1 15 15 GLU H H 1 8.213 0.030 . 1 . . . . 15 GLU H . 11101 1 115 . 1 1 15 15 GLU HA H 1 4.688 0.030 . 1 . . . . 15 GLU HA . 11101 1 116 . 1 1 15 15 GLU HB2 H 1 0.889 0.030 . 2 . . . . 15 GLU HB2 . 11101 1 117 . 1 1 15 15 GLU HB3 H 1 0.730 0.030 . 2 . . . . 15 GLU HB3 . 11101 1 118 . 1 1 15 15 GLU HG2 H 1 1.274 0.030 . 2 . . . . 15 GLU HG2 . 11101 1 119 . 1 1 15 15 GLU HG3 H 1 1.053 0.030 . 2 . . . . 15 GLU HG3 . 11101 1 120 . 1 1 15 15 GLU C C 13 175.823 0.300 . 1 . . . . 15 GLU C . 11101 1 121 . 1 1 15 15 GLU CA C 13 53.672 0.300 . 1 . . . . 15 GLU CA . 11101 1 122 . 1 1 15 15 GLU CB C 13 31.578 0.300 . 1 . . . . 15 GLU CB . 11101 1 123 . 1 1 15 15 GLU CG C 13 34.219 0.300 . 1 . . . . 15 GLU CG . 11101 1 124 . 1 1 15 15 GLU N N 15 117.254 0.300 . 1 . . . . 15 GLU N . 11101 1 125 . 1 1 16 16 GLU H H 1 8.779 0.030 . 1 . . . . 16 GLU H . 11101 1 126 . 1 1 16 16 GLU HA H 1 4.324 0.030 . 1 . . . . 16 GLU HA . 11101 1 127 . 1 1 16 16 GLU HB2 H 1 1.391 0.030 . 2 . . . . 16 GLU HB2 . 11101 1 128 . 1 1 16 16 GLU HB3 H 1 1.700 0.030 . 2 . . . . 16 GLU HB3 . 11101 1 129 . 1 1 16 16 GLU HG2 H 1 2.039 0.030 . 2 . . . . 16 GLU HG2 . 11101 1 130 . 1 1 16 16 GLU HG3 H 1 1.981 0.030 . 2 . . . . 16 GLU HG3 . 11101 1 131 . 1 1 16 16 GLU C C 13 176.029 0.300 . 1 . . . . 16 GLU C . 11101 1 132 . 1 1 16 16 GLU CA C 13 54.667 0.300 . 1 . . . . 16 GLU CA . 11101 1 133 . 1 1 16 16 GLU CB C 13 31.357 0.300 . 1 . . . . 16 GLU CB . 11101 1 134 . 1 1 16 16 GLU CG C 13 35.974 0.300 . 1 . . . . 16 GLU CG . 11101 1 135 . 1 1 16 16 GLU N N 15 121.739 0.300 . 1 . . . . 16 GLU N . 11101 1 136 . 1 1 17 17 ASN H H 1 9.347 0.030 . 1 . . . . 17 ASN H . 11101 1 137 . 1 1 17 17 ASN HA H 1 4.153 0.030 . 1 . . . . 17 ASN HA . 11101 1 138 . 1 1 17 17 ASN HB2 H 1 2.739 0.030 . 2 . . . . 17 ASN HB2 . 11101 1 139 . 1 1 17 17 ASN HB3 H 1 2.572 0.030 . 2 . . . . 17 ASN HB3 . 11101 1 140 . 1 1 17 17 ASN HD21 H 1 6.672 0.030 . 2 . . . . 17 ASN HD21 . 11101 1 141 . 1 1 17 17 ASN HD22 H 1 7.571 0.030 . 2 . . . . 17 ASN HD22 . 11101 1 142 . 1 1 17 17 ASN C C 13 174.711 0.300 . 1 . . . . 17 ASN C . 11101 1 143 . 1 1 17 17 ASN CA C 13 53.618 0.300 . 1 . . . . 17 ASN CA . 11101 1 144 . 1 1 17 17 ASN CB C 13 36.456 0.300 . 1 . . . . 17 ASN CB . 11101 1 145 . 1 1 17 17 ASN N N 15 127.074 0.300 . 1 . . . . 17 ASN N . 11101 1 146 . 1 1 17 17 ASN ND2 N 15 112.858 0.300 . 1 . . . . 17 ASN ND2 . 11101 1 147 . 1 1 18 18 GLY H H 1 8.481 0.030 . 1 . . . . 18 GLY H . 11101 1 148 . 1 1 18 18 GLY HA2 H 1 3.788 0.030 . 2 . . . . 18 GLY HA2 . 11101 1 149 . 1 1 18 18 GLY HA3 H 1 3.218 0.030 . 2 . . . . 18 GLY HA3 . 11101 1 150 . 1 1 18 18 GLY C C 13 172.038 0.300 . 1 . . . . 18 GLY C . 11101 1 151 . 1 1 18 18 GLY CA C 13 44.794 0.300 . 1 . . . . 18 GLY CA . 11101 1 152 . 1 1 18 18 GLY N N 15 103.248 0.300 . 1 . . . . 18 GLY N . 11101 1 153 . 1 1 19 19 VAL H H 1 7.149 0.030 . 1 . . . . 19 VAL H . 11101 1 154 . 1 1 19 19 VAL HA H 1 3.943 0.030 . 1 . . . . 19 VAL HA . 11101 1 155 . 1 1 19 19 VAL HB H 1 1.970 0.030 . 1 . . . . 19 VAL HB . 11101 1 156 . 1 1 19 19 VAL HG11 H 1 0.915 0.030 . 1 . . . . 19 VAL HG1 . 11101 1 157 . 1 1 19 19 VAL HG12 H 1 0.915 0.030 . 1 . . . . 19 VAL HG1 . 11101 1 158 . 1 1 19 19 VAL HG13 H 1 0.915 0.030 . 1 . . . . 19 VAL HG1 . 11101 1 159 . 1 1 19 19 VAL HG21 H 1 0.570 0.030 . 1 . . . . 19 VAL HG2 . 11101 1 160 . 1 1 19 19 VAL HG22 H 1 0.570 0.030 . 1 . . . . 19 VAL HG2 . 11101 1 161 . 1 1 19 19 VAL HG23 H 1 0.570 0.030 . 1 . . . . 19 VAL HG2 . 11101 1 162 . 1 1 19 19 VAL C C 13 175.247 0.300 . 1 . . . . 19 VAL C . 11101 1 163 . 1 1 19 19 VAL CA C 13 60.490 0.300 . 1 . . . . 19 VAL CA . 11101 1 164 . 1 1 19 19 VAL CB C 13 33.078 0.300 . 1 . . . . 19 VAL CB . 11101 1 165 . 1 1 19 19 VAL CG1 C 13 22.569 0.300 . 2 . . . . 19 VAL CG1 . 11101 1 166 . 1 1 19 19 VAL CG2 C 13 21.338 0.300 . 2 . . . . 19 VAL CG2 . 11101 1 167 . 1 1 19 19 VAL N N 15 119.932 0.300 . 1 . . . . 19 VAL N . 11101 1 168 . 1 1 20 20 TRP H H 1 8.638 0.030 . 1 . . . . 20 TRP H . 11101 1 169 . 1 1 20 20 TRP HA H 1 4.540 0.030 . 1 . . . . 20 TRP HA . 11101 1 170 . 1 1 20 20 TRP HB2 H 1 2.512 0.030 . 1 . . . . 20 TRP HB2 . 11101 1 171 . 1 1 20 20 TRP HB3 H 1 2.512 0.030 . 1 . . . . 20 TRP HB3 . 11101 1 172 . 1 1 20 20 TRP HD1 H 1 7.438 0.030 . 1 . . . . 20 TRP HD1 . 11101 1 173 . 1 1 20 20 TRP HE1 H 1 10.161 0.030 . 1 . . . . 20 TRP HE1 . 11101 1 174 . 1 1 20 20 TRP HE3 H 1 7.279 0.030 . 1 . . . . 20 TRP HE3 . 11101 1 175 . 1 1 20 20 TRP HH2 H 1 7.192 0.030 . 1 . . . . 20 TRP HH2 . 11101 1 176 . 1 1 20 20 TRP HZ2 H 1 7.458 0.030 . 1 . . . . 20 TRP HZ2 . 11101 1 177 . 1 1 20 20 TRP HZ3 H 1 7.043 0.030 . 1 . . . . 20 TRP HZ3 . 11101 1 178 . 1 1 20 20 TRP C C 13 175.319 0.300 . 1 . . . . 20 TRP C . 11101 1 179 . 1 1 20 20 TRP CA C 13 57.458 0.300 . 1 . . . . 20 TRP CA . 11101 1 180 . 1 1 20 20 TRP CB C 13 29.962 0.300 . 1 . . . . 20 TRP CB . 11101 1 181 . 1 1 20 20 TRP CD1 C 13 128.200 0.300 . 1 . . . . 20 TRP CD1 . 11101 1 182 . 1 1 20 20 TRP CE3 C 13 121.318 0.300 . 1 . . . . 20 TRP CE3 . 11101 1 183 . 1 1 20 20 TRP CH2 C 13 124.496 0.300 . 1 . . . . 20 TRP CH2 . 11101 1 184 . 1 1 20 20 TRP CZ2 C 13 114.265 0.300 . 1 . . . . 20 TRP CZ2 . 11101 1 185 . 1 1 20 20 TRP CZ3 C 13 121.643 0.300 . 1 . . . . 20 TRP CZ3 . 11101 1 186 . 1 1 20 20 TRP N N 15 129.880 0.300 . 1 . . . . 20 TRP N . 11101 1 187 . 1 1 20 20 TRP NE1 N 15 128.341 0.300 . 1 . . . . 20 TRP NE1 . 11101 1 188 . 1 1 21 21 VAL H H 1 8.823 0.030 . 1 . . . . 21 VAL H . 11101 1 189 . 1 1 21 21 VAL HA H 1 4.362 0.030 . 1 . . . . 21 VAL HA . 11101 1 190 . 1 1 21 21 VAL HB H 1 2.024 0.030 . 1 . . . . 21 VAL HB . 11101 1 191 . 1 1 21 21 VAL HG11 H 1 0.931 0.030 . 1 . . . . 21 VAL HG1 . 11101 1 192 . 1 1 21 21 VAL HG12 H 1 0.931 0.030 . 1 . . . . 21 VAL HG1 . 11101 1 193 . 1 1 21 21 VAL HG13 H 1 0.931 0.030 . 1 . . . . 21 VAL HG1 . 11101 1 194 . 1 1 21 21 VAL HG21 H 1 0.822 0.030 . 1 . . . . 21 VAL HG2 . 11101 1 195 . 1 1 21 21 VAL HG22 H 1 0.822 0.030 . 1 . . . . 21 VAL HG2 . 11101 1 196 . 1 1 21 21 VAL HG23 H 1 0.822 0.030 . 1 . . . . 21 VAL HG2 . 11101 1 197 . 1 1 21 21 VAL C C 13 175.675 0.300 . 1 . . . . 21 VAL C . 11101 1 198 . 1 1 21 21 VAL CA C 13 62.733 0.300 . 1 . . . . 21 VAL CA . 11101 1 199 . 1 1 21 21 VAL CB C 13 31.611 0.300 . 1 . . . . 21 VAL CB . 11101 1 200 . 1 1 21 21 VAL CG1 C 13 21.366 0.300 . 2 . . . . 21 VAL CG1 . 11101 1 201 . 1 1 21 21 VAL CG2 C 13 20.970 0.300 . 2 . . . . 21 VAL CG2 . 11101 1 202 . 1 1 21 21 VAL N N 15 124.080 0.300 . 1 . . . . 21 VAL N . 11101 1 203 . 1 1 22 22 LEU H H 1 8.356 0.030 . 1 . . . . 22 LEU H . 11101 1 204 . 1 1 22 22 LEU HA H 1 5.361 0.030 . 1 . . . . 22 LEU HA . 11101 1 205 . 1 1 22 22 LEU HB2 H 1 1.613 0.030 . 2 . . . . 22 LEU HB2 . 11101 1 206 . 1 1 22 22 LEU HB3 H 1 1.422 0.030 . 2 . . . . 22 LEU HB3 . 11101 1 207 . 1 1 22 22 LEU HD11 H 1 0.450 0.030 . 1 . . . . 22 LEU HD1 . 11101 1 208 . 1 1 22 22 LEU HD12 H 1 0.450 0.030 . 1 . . . . 22 LEU HD1 . 11101 1 209 . 1 1 22 22 LEU HD13 H 1 0.450 0.030 . 1 . . . . 22 LEU HD1 . 11101 1 210 . 1 1 22 22 LEU HD21 H 1 0.054 0.030 . 1 . . . . 22 LEU HD2 . 11101 1 211 . 1 1 22 22 LEU HD22 H 1 0.054 0.030 . 1 . . . . 22 LEU HD2 . 11101 1 212 . 1 1 22 22 LEU HD23 H 1 0.054 0.030 . 1 . . . . 22 LEU HD2 . 11101 1 213 . 1 1 22 22 LEU HG H 1 1.239 0.030 . 1 . . . . 22 LEU HG . 11101 1 214 . 1 1 22 22 LEU C C 13 175.096 0.300 . 1 . . . . 22 LEU C . 11101 1 215 . 1 1 22 22 LEU CA C 13 52.067 0.300 . 1 . . . . 22 LEU CA . 11101 1 216 . 1 1 22 22 LEU CB C 13 43.763 0.300 . 1 . . . . 22 LEU CB . 11101 1 217 . 1 1 22 22 LEU CD1 C 13 26.473 0.300 . 2 . . . . 22 LEU CD1 . 11101 1 218 . 1 1 22 22 LEU CD2 C 13 21.364 0.300 . 2 . . . . 22 LEU CD2 . 11101 1 219 . 1 1 22 22 LEU CG C 13 27.340 0.300 . 1 . . . . 22 LEU CG . 11101 1 220 . 1 1 22 22 LEU N N 15 125.268 0.300 . 1 . . . . 22 LEU N . 11101 1 221 . 1 1 23 23 ASN H H 1 9.314 0.030 . 1 . . . . 23 ASN H . 11101 1 222 . 1 1 23 23 ASN HA H 1 4.536 0.030 . 1 . . . . 23 ASN HA . 11101 1 223 . 1 1 23 23 ASN HB2 H 1 3.383 0.030 . 2 . . . . 23 ASN HB2 . 11101 1 224 . 1 1 23 23 ASN HB3 H 1 2.791 0.030 . 2 . . . . 23 ASN HB3 . 11101 1 225 . 1 1 23 23 ASN HD21 H 1 7.663 0.030 . 2 . . . . 23 ASN HD21 . 11101 1 226 . 1 1 23 23 ASN HD22 H 1 6.944 0.030 . 2 . . . . 23 ASN HD22 . 11101 1 227 . 1 1 23 23 ASN C C 13 173.830 0.300 . 1 . . . . 23 ASN C . 11101 1 228 . 1 1 23 23 ASN CA C 13 51.445 0.300 . 1 . . . . 23 ASN CA . 11101 1 229 . 1 1 23 23 ASN CB C 13 40.509 0.300 . 1 . . . . 23 ASN CB . 11101 1 230 . 1 1 23 23 ASN N N 15 117.455 0.300 . 1 . . . . 23 ASN N . 11101 1 231 . 1 1 23 23 ASN ND2 N 15 115.570 0.300 . 1 . . . . 23 ASN ND2 . 11101 1 232 . 1 1 24 24 ASP H H 1 8.433 0.030 . 1 . . . . 24 ASP H . 11101 1 233 . 1 1 24 24 ASP HA H 1 4.360 0.030 . 1 . . . . 24 ASP HA . 11101 1 234 . 1 1 24 24 ASP HB2 H 1 2.666 0.030 . 2 . . . . 24 ASP HB2 . 11101 1 235 . 1 1 24 24 ASP HB3 H 1 2.607 0.030 . 2 . . . . 24 ASP HB3 . 11101 1 236 . 1 1 24 24 ASP C C 13 179.090 0.300 . 1 . . . . 24 ASP C . 11101 1 237 . 1 1 24 24 ASP CA C 13 58.107 0.300 . 1 . . . . 24 ASP CA . 11101 1 238 . 1 1 24 24 ASP CB C 13 41.252 0.300 . 1 . . . . 24 ASP CB . 11101 1 239 . 1 1 24 24 ASP N N 15 116.719 0.300 . 1 . . . . 24 ASP N . 11101 1 240 . 1 1 25 25 GLY H H 1 8.387 0.030 . 1 . . . . 25 GLY H . 11101 1 241 . 1 1 25 25 GLY HA2 H 1 4.183 0.030 . 2 . . . . 25 GLY HA2 . 11101 1 242 . 1 1 25 25 GLY HA3 H 1 3.881 0.030 . 2 . . . . 25 GLY HA3 . 11101 1 243 . 1 1 25 25 GLY C C 13 175.205 0.300 . 1 . . . . 25 GLY C . 11101 1 244 . 1 1 25 25 GLY CA C 13 46.399 0.300 . 1 . . . . 25 GLY CA . 11101 1 245 . 1 1 25 25 GLY N N 15 105.216 0.300 . 1 . . . . 25 GLY N . 11101 1 246 . 1 1 26 26 ASN H H 1 7.834 0.030 . 1 . . . . 26 ASN H . 11101 1 247 . 1 1 26 26 ASN HA H 1 4.965 0.030 . 1 . . . . 26 ASN HA . 11101 1 248 . 1 1 26 26 ASN HB2 H 1 3.145 0.030 . 2 . . . . 26 ASN HB2 . 11101 1 249 . 1 1 26 26 ASN HB3 H 1 2.855 0.030 . 2 . . . . 26 ASN HB3 . 11101 1 250 . 1 1 26 26 ASN HD21 H 1 7.586 0.030 . 2 . . . . 26 ASN HD21 . 11101 1 251 . 1 1 26 26 ASN HD22 H 1 6.498 0.030 . 2 . . . . 26 ASN HD22 . 11101 1 252 . 1 1 26 26 ASN C C 13 178.189 0.300 . 1 . . . . 26 ASN C . 11101 1 253 . 1 1 26 26 ASN CA C 13 52.377 0.300 . 1 . . . . 26 ASN CA . 11101 1 254 . 1 1 26 26 ASN CB C 13 39.684 0.300 . 1 . . . . 26 ASN CB . 11101 1 255 . 1 1 26 26 ASN N N 15 117.260 0.300 . 1 . . . . 26 ASN N . 11101 1 256 . 1 1 26 26 ASN ND2 N 15 107.282 0.300 . 1 . . . . 26 ASN ND2 . 11101 1 257 . 1 1 27 27 PHE H H 1 7.724 0.030 . 1 . . . . 27 PHE H . 11101 1 258 . 1 1 27 27 PHE HA H 1 3.965 0.030 . 1 . . . . 27 PHE HA . 11101 1 259 . 1 1 27 27 PHE HB2 H 1 3.509 0.030 . 2 . . . . 27 PHE HB2 . 11101 1 260 . 1 1 27 27 PHE HB3 H 1 3.098 0.030 . 2 . . . . 27 PHE HB3 . 11101 1 261 . 1 1 27 27 PHE HD1 H 1 7.185 0.030 . 1 . . . . 27 PHE HD1 . 11101 1 262 . 1 1 27 27 PHE HD2 H 1 7.185 0.030 . 1 . . . . 27 PHE HD2 . 11101 1 263 . 1 1 27 27 PHE HE1 H 1 7.228 0.030 . 1 . . . . 27 PHE HE1 . 11101 1 264 . 1 1 27 27 PHE HE2 H 1 7.228 0.030 . 1 . . . . 27 PHE HE2 . 11101 1 265 . 1 1 27 27 PHE C C 13 176.471 0.300 . 1 . . . . 27 PHE C . 11101 1 266 . 1 1 27 27 PHE CA C 13 63.621 0.300 . 1 . . . . 27 PHE CA . 11101 1 267 . 1 1 27 27 PHE CB C 13 41.330 0.300 . 1 . . . . 27 PHE CB . 11101 1 268 . 1 1 27 27 PHE CD1 C 13 133.486 0.300 . 1 . . . . 27 PHE CD1 . 11101 1 269 . 1 1 27 27 PHE CD2 C 13 133.486 0.300 . 1 . . . . 27 PHE CD2 . 11101 1 270 . 1 1 27 27 PHE CE1 C 13 130.476 0.300 . 1 . . . . 27 PHE CE1 . 11101 1 271 . 1 1 27 27 PHE CE2 C 13 130.476 0.300 . 1 . . . . 27 PHE CE2 . 11101 1 272 . 1 1 27 27 PHE N N 15 122.085 0.300 . 1 . . . . 27 PHE N . 11101 1 273 . 1 1 28 28 ASP H H 1 8.753 0.030 . 1 . . . . 28 ASP H . 11101 1 274 . 1 1 28 28 ASP HA H 1 4.248 0.030 . 1 . . . . 28 ASP HA . 11101 1 275 . 1 1 28 28 ASP HB2 H 1 2.613 0.030 . 1 . . . . 28 ASP HB2 . 11101 1 276 . 1 1 28 28 ASP HB3 H 1 2.613 0.030 . 1 . . . . 28 ASP HB3 . 11101 1 277 . 1 1 28 28 ASP C C 13 179.213 0.300 . 1 . . . . 28 ASP C . 11101 1 278 . 1 1 28 28 ASP CA C 13 57.927 0.300 . 1 . . . . 28 ASP CA . 11101 1 279 . 1 1 28 28 ASP CB C 13 40.200 0.300 . 1 . . . . 28 ASP CB . 11101 1 280 . 1 1 28 28 ASP N N 15 118.004 0.300 . 1 . . . . 28 ASP N . 11101 1 281 . 1 1 29 29 ASN H H 1 8.674 0.030 . 1 . . . . 29 ASN H . 11101 1 282 . 1 1 29 29 ASN HA H 1 4.353 0.030 . 1 . . . . 29 ASN HA . 11101 1 283 . 1 1 29 29 ASN HB2 H 1 2.772 0.030 . 1 . . . . 29 ASN HB2 . 11101 1 284 . 1 1 29 29 ASN HB3 H 1 2.772 0.030 . 1 . . . . 29 ASN HB3 . 11101 1 285 . 1 1 29 29 ASN HD21 H 1 6.990 0.030 . 2 . . . . 29 ASN HD21 . 11101 1 286 . 1 1 29 29 ASN HD22 H 1 7.810 0.030 . 2 . . . . 29 ASN HD22 . 11101 1 287 . 1 1 29 29 ASN C C 13 176.867 0.300 . 1 . . . . 29 ASN C . 11101 1 288 . 1 1 29 29 ASN CA C 13 55.526 0.300 . 1 . . . . 29 ASN CA . 11101 1 289 . 1 1 29 29 ASN CB C 13 38.489 0.300 . 1 . . . . 29 ASN CB . 11101 1 290 . 1 1 29 29 ASN N N 15 116.424 0.300 . 1 . . . . 29 ASN N . 11101 1 291 . 1 1 29 29 ASN ND2 N 15 113.524 0.300 . 1 . . . . 29 ASN ND2 . 11101 1 292 . 1 1 30 30 PHE H H 1 7.744 0.030 . 1 . . . . 30 PHE H . 11101 1 293 . 1 1 30 30 PHE HA H 1 4.040 0.030 . 1 . . . . 30 PHE HA . 11101 1 294 . 1 1 30 30 PHE HB2 H 1 2.907 0.030 . 2 . . . . 30 PHE HB2 . 11101 1 295 . 1 1 30 30 PHE HB3 H 1 2.798 0.030 . 2 . . . . 30 PHE HB3 . 11101 1 296 . 1 1 30 30 PHE HD1 H 1 6.752 0.030 . 1 . . . . 30 PHE HD1 . 11101 1 297 . 1 1 30 30 PHE HD2 H 1 6.752 0.030 . 1 . . . . 30 PHE HD2 . 11101 1 298 . 1 1 30 30 PHE HE1 H 1 6.179 0.030 . 1 . . . . 30 PHE HE1 . 11101 1 299 . 1 1 30 30 PHE HE2 H 1 6.179 0.030 . 1 . . . . 30 PHE HE2 . 11101 1 300 . 1 1 30 30 PHE HZ H 1 5.934 0.030 . 1 . . . . 30 PHE HZ . 11101 1 301 . 1 1 30 30 PHE C C 13 177.021 0.300 . 1 . . . . 30 PHE C . 11101 1 302 . 1 1 30 30 PHE CA C 13 61.653 0.300 . 1 . . . . 30 PHE CA . 11101 1 303 . 1 1 30 30 PHE CB C 13 39.884 0.300 . 1 . . . . 30 PHE CB . 11101 1 304 . 1 1 30 30 PHE CD1 C 13 132.437 0.300 . 1 . . . . 30 PHE CD1 . 11101 1 305 . 1 1 30 30 PHE CD2 C 13 132.437 0.300 . 1 . . . . 30 PHE CD2 . 11101 1 306 . 1 1 30 30 PHE CE1 C 13 129.520 0.300 . 1 . . . . 30 PHE CE1 . 11101 1 307 . 1 1 30 30 PHE CE2 C 13 129.520 0.300 . 1 . . . . 30 PHE CE2 . 11101 1 308 . 1 1 30 30 PHE CZ C 13 129.481 0.300 . 1 . . . . 30 PHE CZ . 11101 1 309 . 1 1 30 30 PHE N N 15 119.289 0.300 . 1 . . . . 30 PHE N . 11101 1 310 . 1 1 31 31 VAL H H 1 7.866 0.030 . 1 . . . . 31 VAL H . 11101 1 311 . 1 1 31 31 VAL HA H 1 3.628 0.030 . 1 . . . . 31 VAL HA . 11101 1 312 . 1 1 31 31 VAL HB H 1 2.073 0.030 . 1 . . . . 31 VAL HB . 11101 1 313 . 1 1 31 31 VAL HG11 H 1 0.351 0.030 . 1 . . . . 31 VAL HG1 . 11101 1 314 . 1 1 31 31 VAL HG12 H 1 0.351 0.030 . 1 . . . . 31 VAL HG1 . 11101 1 315 . 1 1 31 31 VAL HG13 H 1 0.351 0.030 . 1 . . . . 31 VAL HG1 . 11101 1 316 . 1 1 31 31 VAL HG21 H 1 0.595 0.030 . 1 . . . . 31 VAL HG2 . 11101 1 317 . 1 1 31 31 VAL HG22 H 1 0.595 0.030 . 1 . . . . 31 VAL HG2 . 11101 1 318 . 1 1 31 31 VAL HG23 H 1 0.595 0.030 . 1 . . . . 31 VAL HG2 . 11101 1 319 . 1 1 31 31 VAL C C 13 177.505 0.300 . 1 . . . . 31 VAL C . 11101 1 320 . 1 1 31 31 VAL CA C 13 62.984 0.300 . 1 . . . . 31 VAL CA . 11101 1 321 . 1 1 31 31 VAL CB C 13 31.512 0.300 . 1 . . . . 31 VAL CB . 11101 1 322 . 1 1 31 31 VAL CG1 C 13 21.061 0.300 . 2 . . . . 31 VAL CG1 . 11101 1 323 . 1 1 31 31 VAL CG2 C 13 18.162 0.300 . 2 . . . . 31 VAL CG2 . 11101 1 324 . 1 1 31 31 VAL N N 15 107.886 0.300 . 1 . . . . 31 VAL N . 11101 1 325 . 1 1 32 32 ALA H H 1 6.973 0.030 . 1 . . . . 32 ALA H . 11101 1 326 . 1 1 32 32 ALA HA H 1 3.900 0.030 . 1 . . . . 32 ALA HA . 11101 1 327 . 1 1 32 32 ALA HB1 H 1 1.373 0.030 . 1 . . . . 32 ALA HB . 11101 1 328 . 1 1 32 32 ALA HB2 H 1 1.373 0.030 . 1 . . . . 32 ALA HB . 11101 1 329 . 1 1 32 32 ALA HB3 H 1 1.373 0.030 . 1 . . . . 32 ALA HB . 11101 1 330 . 1 1 32 32 ALA C C 13 177.714 0.300 . 1 . . . . 32 ALA C . 11101 1 331 . 1 1 32 32 ALA CA C 13 55.057 0.300 . 1 . . . . 32 ALA CA . 11101 1 332 . 1 1 32 32 ALA CB C 13 18.724 0.300 . 1 . . . . 32 ALA CB . 11101 1 333 . 1 1 32 32 ALA N N 15 122.465 0.300 . 1 . . . . 32 ALA N . 11101 1 334 . 1 1 33 33 ASP H H 1 7.884 0.030 . 1 . . . . 33 ASP H . 11101 1 335 . 1 1 33 33 ASP HA H 1 4.570 0.030 . 1 . . . . 33 ASP HA . 11101 1 336 . 1 1 33 33 ASP HB2 H 1 2.756 0.030 . 2 . . . . 33 ASP HB2 . 11101 1 337 . 1 1 33 33 ASP HB3 H 1 2.486 0.030 . 2 . . . . 33 ASP HB3 . 11101 1 338 . 1 1 33 33 ASP C C 13 175.644 0.300 . 1 . . . . 33 ASP C . 11101 1 339 . 1 1 33 33 ASP CA C 13 53.065 0.300 . 1 . . . . 33 ASP CA . 11101 1 340 . 1 1 33 33 ASP CB C 13 40.172 0.300 . 1 . . . . 33 ASP CB . 11101 1 341 . 1 1 33 33 ASP N N 15 113.250 0.300 . 1 . . . . 33 ASP N . 11101 1 342 . 1 1 34 34 LYS H H 1 7.250 0.030 . 1 . . . . 34 LYS H . 11101 1 343 . 1 1 34 34 LYS HA H 1 4.369 0.030 . 1 . . . . 34 LYS HA . 11101 1 344 . 1 1 34 34 LYS HB2 H 1 1.371 0.030 . 2 . . . . 34 LYS HB2 . 11101 1 345 . 1 1 34 34 LYS HB3 H 1 1.319 0.030 . 2 . . . . 34 LYS HB3 . 11101 1 346 . 1 1 34 34 LYS HD2 H 1 0.765 0.030 . 2 . . . . 34 LYS HD2 . 11101 1 347 . 1 1 34 34 LYS HD3 H 1 1.238 0.030 . 2 . . . . 34 LYS HD3 . 11101 1 348 . 1 1 34 34 LYS HE2 H 1 2.375 0.030 . 2 . . . . 34 LYS HE2 . 11101 1 349 . 1 1 34 34 LYS HE3 H 1 1.665 0.030 . 2 . . . . 34 LYS HE3 . 11101 1 350 . 1 1 34 34 LYS HG2 H 1 1.074 0.030 . 2 . . . . 34 LYS HG2 . 11101 1 351 . 1 1 34 34 LYS HG3 H 1 0.959 0.030 . 2 . . . . 34 LYS HG3 . 11101 1 352 . 1 1 34 34 LYS C C 13 175.740 0.300 . 1 . . . . 34 LYS C . 11101 1 353 . 1 1 34 34 LYS CA C 13 55.013 0.300 . 1 . . . . 34 LYS CA . 11101 1 354 . 1 1 34 34 LYS CB C 13 34.554 0.300 . 1 . . . . 34 LYS CB . 11101 1 355 . 1 1 34 34 LYS CD C 13 28.163 0.300 . 1 . . . . 34 LYS CD . 11101 1 356 . 1 1 34 34 LYS CE C 13 42.056 0.300 . 1 . . . . 34 LYS CE . 11101 1 357 . 1 1 34 34 LYS CG C 13 25.191 0.300 . 1 . . . . 34 LYS CG . 11101 1 358 . 1 1 34 34 LYS N N 15 119.126 0.300 . 1 . . . . 34 LYS N . 11101 1 359 . 1 1 35 35 ASP H H 1 8.740 0.030 . 1 . . . . 35 ASP H . 11101 1 360 . 1 1 35 35 ASP HA H 1 4.308 0.030 . 1 . . . . 35 ASP HA . 11101 1 361 . 1 1 35 35 ASP HB2 H 1 2.692 0.030 . 1 . . . . 35 ASP HB2 . 11101 1 362 . 1 1 35 35 ASP HB3 H 1 2.692 0.030 . 1 . . . . 35 ASP HB3 . 11101 1 363 . 1 1 35 35 ASP C C 13 175.884 0.300 . 1 . . . . 35 ASP C . 11101 1 364 . 1 1 35 35 ASP CA C 13 58.344 0.300 . 1 . . . . 35 ASP CA . 11101 1 365 . 1 1 35 35 ASP CB C 13 42.548 0.300 . 1 . . . . 35 ASP CB . 11101 1 366 . 1 1 35 35 ASP N N 15 124.912 0.300 . 1 . . . . 35 ASP N . 11101 1 367 . 1 1 36 36 THR H H 1 7.787 0.030 . 1 . . . . 36 THR H . 11101 1 368 . 1 1 36 36 THR HA H 1 5.398 0.030 . 1 . . . . 36 THR HA . 11101 1 369 . 1 1 36 36 THR HB H 1 3.717 0.030 . 1 . . . . 36 THR HB . 11101 1 370 . 1 1 36 36 THR HG21 H 1 0.788 0.030 . 1 . . . . 36 THR HG2 . 11101 1 371 . 1 1 36 36 THR HG22 H 1 0.788 0.030 . 1 . . . . 36 THR HG2 . 11101 1 372 . 1 1 36 36 THR HG23 H 1 0.788 0.030 . 1 . . . . 36 THR HG2 . 11101 1 373 . 1 1 36 36 THR C C 13 173.093 0.300 . 1 . . . . 36 THR C . 11101 1 374 . 1 1 36 36 THR CA C 13 62.348 0.300 . 1 . . . . 36 THR CA . 11101 1 375 . 1 1 36 36 THR CB C 13 70.868 0.300 . 1 . . . . 36 THR CB . 11101 1 376 . 1 1 36 36 THR CG2 C 13 21.493 0.300 . 1 . . . . 36 THR CG2 . 11101 1 377 . 1 1 36 36 THR N N 15 113.118 0.300 . 1 . . . . 36 THR N . 11101 1 378 . 1 1 37 37 VAL H H 1 8.736 0.030 . 1 . . . . 37 VAL H . 11101 1 379 . 1 1 37 37 VAL HA H 1 4.600 0.030 . 1 . . . . 37 VAL HA . 11101 1 380 . 1 1 37 37 VAL HB H 1 1.823 0.030 . 1 . . . . 37 VAL HB . 11101 1 381 . 1 1 37 37 VAL HG11 H 1 0.801 0.030 . 1 . . . . 37 VAL HG1 . 11101 1 382 . 1 1 37 37 VAL HG12 H 1 0.801 0.030 . 1 . . . . 37 VAL HG1 . 11101 1 383 . 1 1 37 37 VAL HG13 H 1 0.801 0.030 . 1 . . . . 37 VAL HG1 . 11101 1 384 . 1 1 37 37 VAL HG21 H 1 0.765 0.030 . 1 . . . . 37 VAL HG2 . 11101 1 385 . 1 1 37 37 VAL HG22 H 1 0.765 0.030 . 1 . . . . 37 VAL HG2 . 11101 1 386 . 1 1 37 37 VAL HG23 H 1 0.765 0.030 . 1 . . . . 37 VAL HG2 . 11101 1 387 . 1 1 37 37 VAL C C 13 173.803 0.300 . 1 . . . . 37 VAL C . 11101 1 388 . 1 1 37 37 VAL CA C 13 60.386 0.300 . 1 . . . . 37 VAL CA . 11101 1 389 . 1 1 37 37 VAL CB C 13 36.459 0.300 . 1 . . . . 37 VAL CB . 11101 1 390 . 1 1 37 37 VAL CG1 C 13 21.545 0.300 . 2 . . . . 37 VAL CG1 . 11101 1 391 . 1 1 37 37 VAL CG2 C 13 22.469 0.300 . 2 . . . . 37 VAL CG2 . 11101 1 392 . 1 1 37 37 VAL N N 15 125.130 0.300 . 1 . . . . 37 VAL N . 11101 1 393 . 1 1 38 38 LEU H H 1 8.796 0.030 . 1 . . . . 38 LEU H . 11101 1 394 . 1 1 38 38 LEU HA H 1 4.720 0.030 . 1 . . . . 38 LEU HA . 11101 1 395 . 1 1 38 38 LEU HB2 H 1 2.148 0.030 . 2 . . . . 38 LEU HB2 . 11101 1 396 . 1 1 38 38 LEU HB3 H 1 0.942 0.030 . 2 . . . . 38 LEU HB3 . 11101 1 397 . 1 1 38 38 LEU HD11 H 1 0.758 0.030 . 1 . . . . 38 LEU HD1 . 11101 1 398 . 1 1 38 38 LEU HD12 H 1 0.758 0.030 . 1 . . . . 38 LEU HD1 . 11101 1 399 . 1 1 38 38 LEU HD13 H 1 0.758 0.030 . 1 . . . . 38 LEU HD1 . 11101 1 400 . 1 1 38 38 LEU HD21 H 1 0.741 0.030 . 1 . . . . 38 LEU HD2 . 11101 1 401 . 1 1 38 38 LEU HD22 H 1 0.741 0.030 . 1 . . . . 38 LEU HD2 . 11101 1 402 . 1 1 38 38 LEU HD23 H 1 0.741 0.030 . 1 . . . . 38 LEU HD2 . 11101 1 403 . 1 1 38 38 LEU HG H 1 2.285 0.030 . 1 . . . . 38 LEU HG . 11101 1 404 . 1 1 38 38 LEU C C 13 173.127 0.300 . 1 . . . . 38 LEU C . 11101 1 405 . 1 1 38 38 LEU CA C 13 54.570 0.300 . 1 . . . . 38 LEU CA . 11101 1 406 . 1 1 38 38 LEU CB C 13 44.618 0.300 . 1 . . . . 38 LEU CB . 11101 1 407 . 1 1 38 38 LEU CD1 C 13 23.640 0.300 . 2 . . . . 38 LEU CD1 . 11101 1 408 . 1 1 38 38 LEU CD2 C 13 28.177 0.300 . 2 . . . . 38 LEU CD2 . 11101 1 409 . 1 1 38 38 LEU CG C 13 25.599 0.300 . 1 . . . . 38 LEU CG . 11101 1 410 . 1 1 38 38 LEU N N 15 129.693 0.300 . 1 . . . . 38 LEU N . 11101 1 411 . 1 1 39 39 LEU H H 1 9.042 0.030 . 1 . . . . 39 LEU H . 11101 1 412 . 1 1 39 39 LEU HA H 1 4.814 0.030 . 1 . . . . 39 LEU HA . 11101 1 413 . 1 1 39 39 LEU HB2 H 1 1.756 0.030 . 2 . . . . 39 LEU HB2 . 11101 1 414 . 1 1 39 39 LEU HB3 H 1 0.726 0.030 . 2 . . . . 39 LEU HB3 . 11101 1 415 . 1 1 39 39 LEU HD11 H 1 0.597 0.030 . 1 . . . . 39 LEU HD1 . 11101 1 416 . 1 1 39 39 LEU HD12 H 1 0.597 0.030 . 1 . . . . 39 LEU HD1 . 11101 1 417 . 1 1 39 39 LEU HD13 H 1 0.597 0.030 . 1 . . . . 39 LEU HD1 . 11101 1 418 . 1 1 39 39 LEU HD21 H 1 0.670 0.030 . 1 . . . . 39 LEU HD2 . 11101 1 419 . 1 1 39 39 LEU HD22 H 1 0.670 0.030 . 1 . . . . 39 LEU HD2 . 11101 1 420 . 1 1 39 39 LEU HD23 H 1 0.670 0.030 . 1 . . . . 39 LEU HD2 . 11101 1 421 . 1 1 39 39 LEU HG H 1 1.534 0.030 . 1 . . . . 39 LEU HG . 11101 1 422 . 1 1 39 39 LEU C C 13 174.785 0.300 . 1 . . . . 39 LEU C . 11101 1 423 . 1 1 39 39 LEU CA C 13 53.451 0.300 . 1 . . . . 39 LEU CA . 11101 1 424 . 1 1 39 39 LEU CB C 13 45.885 0.300 . 1 . . . . 39 LEU CB . 11101 1 425 . 1 1 39 39 LEU CD1 C 13 26.316 0.300 . 2 . . . . 39 LEU CD1 . 11101 1 426 . 1 1 39 39 LEU CD2 C 13 24.457 0.300 . 2 . . . . 39 LEU CD2 . 11101 1 427 . 1 1 39 39 LEU CG C 13 26.236 0.300 . 1 . . . . 39 LEU CG . 11101 1 428 . 1 1 39 39 LEU N N 15 124.044 0.300 . 1 . . . . 39 LEU N . 11101 1 429 . 1 1 40 40 GLU H H 1 7.541 0.030 . 1 . . . . 40 GLU H . 11101 1 430 . 1 1 40 40 GLU HA H 1 5.085 0.030 . 1 . . . . 40 GLU HA . 11101 1 431 . 1 1 40 40 GLU HB2 H 1 1.835 0.030 . 2 . . . . 40 GLU HB2 . 11101 1 432 . 1 1 40 40 GLU HB3 H 1 1.173 0.030 . 2 . . . . 40 GLU HB3 . 11101 1 433 . 1 1 40 40 GLU HG2 H 1 1.947 0.030 . 2 . . . . 40 GLU HG2 . 11101 1 434 . 1 1 40 40 GLU HG3 H 1 1.866 0.030 . 2 . . . . 40 GLU HG3 . 11101 1 435 . 1 1 40 40 GLU C C 13 174.485 0.300 . 1 . . . . 40 GLU C . 11101 1 436 . 1 1 40 40 GLU CA C 13 53.776 0.300 . 1 . . . . 40 GLU CA . 11101 1 437 . 1 1 40 40 GLU CB C 13 30.064 0.300 . 1 . . . . 40 GLU CB . 11101 1 438 . 1 1 40 40 GLU CG C 13 31.538 0.300 . 1 . . . . 40 GLU CG . 11101 1 439 . 1 1 40 40 GLU N N 15 119.673 0.300 . 1 . . . . 40 GLU N . 11101 1 440 . 1 1 41 41 PHE H H 1 9.745 0.030 . 1 . . . . 41 PHE H . 11101 1 441 . 1 1 41 41 PHE HA H 1 5.570 0.030 . 1 . . . . 41 PHE HA . 11101 1 442 . 1 1 41 41 PHE HB2 H 1 3.159 0.030 . 2 . . . . 41 PHE HB2 . 11101 1 443 . 1 1 41 41 PHE HB3 H 1 2.855 0.030 . 2 . . . . 41 PHE HB3 . 11101 1 444 . 1 1 41 41 PHE HD1 H 1 6.971 0.030 . 1 . . . . 41 PHE HD1 . 11101 1 445 . 1 1 41 41 PHE HD2 H 1 6.971 0.030 . 1 . . . . 41 PHE HD2 . 11101 1 446 . 1 1 41 41 PHE HE1 H 1 6.661 0.030 . 1 . . . . 41 PHE HE1 . 11101 1 447 . 1 1 41 41 PHE HE2 H 1 6.661 0.030 . 1 . . . . 41 PHE HE2 . 11101 1 448 . 1 1 41 41 PHE HZ H 1 6.334 0.030 . 1 . . . . 41 PHE HZ . 11101 1 449 . 1 1 41 41 PHE C C 13 175.289 0.300 . 1 . . . . 41 PHE C . 11101 1 450 . 1 1 41 41 PHE CA C 13 56.401 0.300 . 1 . . . . 41 PHE CA . 11101 1 451 . 1 1 41 41 PHE CB C 13 41.022 0.300 . 1 . . . . 41 PHE CB . 11101 1 452 . 1 1 41 41 PHE CD1 C 13 131.668 0.300 . 1 . . . . 41 PHE CD1 . 11101 1 453 . 1 1 41 41 PHE CD2 C 13 131.668 0.300 . 1 . . . . 41 PHE CD2 . 11101 1 454 . 1 1 41 41 PHE CE1 C 13 130.095 0.300 . 1 . . . . 41 PHE CE1 . 11101 1 455 . 1 1 41 41 PHE CE2 C 13 130.095 0.300 . 1 . . . . 41 PHE CE2 . 11101 1 456 . 1 1 41 41 PHE CZ C 13 130.015 0.300 . 1 . . . . 41 PHE CZ . 11101 1 457 . 1 1 41 41 PHE N N 15 127.368 0.300 . 1 . . . . 41 PHE N . 11101 1 458 . 1 1 42 42 TYR H H 1 9.217 0.030 . 1 . . . . 42 TYR H . 11101 1 459 . 1 1 42 42 TYR HA H 1 5.277 0.030 . 1 . . . . 42 TYR HA . 11101 1 460 . 1 1 42 42 TYR HB2 H 1 2.855 0.030 . 2 . . . . 42 TYR HB2 . 11101 1 461 . 1 1 42 42 TYR HB3 H 1 2.538 0.030 . 2 . . . . 42 TYR HB3 . 11101 1 462 . 1 1 42 42 TYR HD1 H 1 6.571 0.030 . 1 . . . . 42 TYR HD1 . 11101 1 463 . 1 1 42 42 TYR HD2 H 1 6.571 0.030 . 1 . . . . 42 TYR HD2 . 11101 1 464 . 1 1 42 42 TYR HE1 H 1 6.390 0.030 . 1 . . . . 42 TYR HE1 . 11101 1 465 . 1 1 42 42 TYR HE2 H 1 6.390 0.030 . 1 . . . . 42 TYR HE2 . 11101 1 466 . 1 1 42 42 TYR C C 13 170.392 0.300 . 1 . . . . 42 TYR C . 11101 1 467 . 1 1 42 42 TYR CA C 13 54.796 0.300 . 1 . . . . 42 TYR CA . 11101 1 468 . 1 1 42 42 TYR CB C 13 42.800 0.300 . 1 . . . . 42 TYR CB . 11101 1 469 . 1 1 42 42 TYR CD1 C 13 133.167 0.300 . 1 . . . . 42 TYR CD1 . 11101 1 470 . 1 1 42 42 TYR CD2 C 13 133.167 0.300 . 1 . . . . 42 TYR CD2 . 11101 1 471 . 1 1 42 42 TYR CE1 C 13 117.065 0.300 . 1 . . . . 42 TYR CE1 . 11101 1 472 . 1 1 42 42 TYR CE2 C 13 117.065 0.300 . 1 . . . . 42 TYR CE2 . 11101 1 473 . 1 1 42 42 TYR N N 15 121.875 0.300 . 1 . . . . 42 TYR N . 11101 1 474 . 1 1 43 43 ALA H H 1 7.125 0.030 . 1 . . . . 43 ALA H . 11101 1 475 . 1 1 43 43 ALA HA H 1 4.342 0.030 . 1 . . . . 43 ALA HA . 11101 1 476 . 1 1 43 43 ALA HB1 H 1 -0.603 0.030 . 1 . . . . 43 ALA HB . 11101 1 477 . 1 1 43 43 ALA HB2 H 1 -0.603 0.030 . 1 . . . . 43 ALA HB . 11101 1 478 . 1 1 43 43 ALA HB3 H 1 -0.603 0.030 . 1 . . . . 43 ALA HB . 11101 1 479 . 1 1 43 43 ALA C C 13 177.007 0.300 . 1 . . . . 43 ALA C . 11101 1 480 . 1 1 43 43 ALA CA C 13 47.665 0.300 . 1 . . . . 43 ALA CA . 11101 1 481 . 1 1 43 43 ALA CB C 13 19.263 0.300 . 1 . . . . 43 ALA CB . 11101 1 482 . 1 1 43 43 ALA N N 15 119.955 0.300 . 1 . . . . 43 ALA N . 11101 1 483 . 1 1 44 44 PRO HA H 1 4.275 0.030 . 1 . . . . 44 PRO HA . 11101 1 484 . 1 1 44 44 PRO HB2 H 1 2.382 0.030 . 2 . . . . 44 PRO HB2 . 11101 1 485 . 1 1 44 44 PRO HB3 H 1 2.021 0.030 . 2 . . . . 44 PRO HB3 . 11101 1 486 . 1 1 44 44 PRO HD2 H 1 3.165 0.030 . 2 . . . . 44 PRO HD2 . 11101 1 487 . 1 1 44 44 PRO HD3 H 1 3.456 0.030 . 2 . . . . 44 PRO HD3 . 11101 1 488 . 1 1 44 44 PRO HG2 H 1 2.034 0.030 . 2 . . . . 44 PRO HG2 . 11101 1 489 . 1 1 44 44 PRO HG3 H 1 1.986 0.030 . 2 . . . . 44 PRO HG3 . 11101 1 490 . 1 1 44 44 PRO C C 13 175.664 0.300 . 1 . . . . 44 PRO C . 11101 1 491 . 1 1 44 44 PRO CA C 13 64.610 0.300 . 1 . . . . 44 PRO CA . 11101 1 492 . 1 1 44 44 PRO CB C 13 32.096 0.300 . 1 . . . . 44 PRO CB . 11101 1 493 . 1 1 44 44 PRO CD C 13 51.366 0.300 . 1 . . . . 44 PRO CD . 11101 1 494 . 1 1 44 44 PRO CG C 13 27.619 0.300 . 1 . . . . 44 PRO CG . 11101 1 495 . 1 1 45 45 TRP H H 1 5.995 0.030 . 1 . . . . 45 TRP H . 11101 1 496 . 1 1 45 45 TRP HA H 1 4.600 0.030 . 1 . . . . 45 TRP HA . 11101 1 497 . 1 1 45 45 TRP HB2 H 1 3.591 0.030 . 2 . . . . 45 TRP HB2 . 11101 1 498 . 1 1 45 45 TRP HB3 H 1 3.206 0.030 . 2 . . . . 45 TRP HB3 . 11101 1 499 . 1 1 45 45 TRP HD1 H 1 7.339 0.030 . 1 . . . . 45 TRP HD1 . 11101 1 500 . 1 1 45 45 TRP HE1 H 1 10.327 0.030 . 1 . . . . 45 TRP HE1 . 11101 1 501 . 1 1 45 45 TRP HE3 H 1 7.386 0.030 . 1 . . . . 45 TRP HE3 . 11101 1 502 . 1 1 45 45 TRP HH2 H 1 7.397 0.030 . 1 . . . . 45 TRP HH2 . 11101 1 503 . 1 1 45 45 TRP HZ2 H 1 7.486 0.030 . 1 . . . . 45 TRP HZ2 . 11101 1 504 . 1 1 45 45 TRP HZ3 H 1 7.288 0.030 . 1 . . . . 45 TRP HZ3 . 11101 1 505 . 1 1 45 45 TRP C C 13 176.127 0.300 . 1 . . . . 45 TRP C . 11101 1 506 . 1 1 45 45 TRP CA C 13 53.878 0.300 . 1 . . . . 45 TRP CA . 11101 1 507 . 1 1 45 45 TRP CB C 13 29.289 0.300 . 1 . . . . 45 TRP CB . 11101 1 508 . 1 1 45 45 TRP CD1 C 13 128.389 0.300 . 1 . . . . 45 TRP CD1 . 11101 1 509 . 1 1 45 45 TRP CE3 C 13 120.892 0.300 . 1 . . . . 45 TRP CE3 . 11101 1 510 . 1 1 45 45 TRP CH2 C 13 125.608 0.300 . 1 . . . . 45 TRP CH2 . 11101 1 511 . 1 1 45 45 TRP CZ2 C 13 114.974 0.300 . 1 . . . . 45 TRP CZ2 . 11101 1 512 . 1 1 45 45 TRP CZ3 C 13 122.405 0.300 . 1 . . . . 45 TRP CZ3 . 11101 1 513 . 1 1 45 45 TRP N N 15 109.777 0.300 . 1 . . . . 45 TRP N . 11101 1 514 . 1 1 45 45 TRP NE1 N 15 130.763 0.300 . 1 . . . . 45 TRP NE1 . 11101 1 515 . 1 1 46 46 CYS H H 1 6.736 0.030 . 1 . . . . 46 CYS H . 11101 1 516 . 1 1 46 46 CYS HA H 1 4.421 0.030 . 1 . . . . 46 CYS HA . 11101 1 517 . 1 1 46 46 CYS HB2 H 1 2.726 0.030 . 2 . . . . 46 CYS HB2 . 11101 1 518 . 1 1 46 46 CYS HB3 H 1 2.258 0.030 . 2 . . . . 46 CYS HB3 . 11101 1 519 . 1 1 46 46 CYS C C 13 177.963 0.300 . 1 . . . . 46 CYS C . 11101 1 520 . 1 1 46 46 CYS CA C 13 60.217 0.300 . 1 . . . . 46 CYS CA . 11101 1 521 . 1 1 46 46 CYS CB C 13 29.907 0.300 . 1 . . . . 46 CYS CB . 11101 1 522 . 1 1 46 46 CYS N N 15 126.244 0.300 . 1 . . . . 46 CYS N . 11101 1 523 . 1 1 47 47 GLY H H 1 9.146 0.030 . 1 . . . . 47 GLY H . 11101 1 524 . 1 1 47 47 GLY HA2 H 1 4.036 0.030 . 2 . . . . 47 GLY HA2 . 11101 1 525 . 1 1 47 47 GLY HA3 H 1 3.867 0.030 . 2 . . . . 47 GLY HA3 . 11101 1 526 . 1 1 47 47 GLY C C 13 177.141 0.300 . 1 . . . . 47 GLY C . 11101 1 527 . 1 1 47 47 GLY CA C 13 47.636 0.300 . 1 . . . . 47 GLY CA . 11101 1 528 . 1 1 47 47 GLY N N 15 119.476 0.300 . 1 . . . . 47 GLY N . 11101 1 529 . 1 1 48 48 HIS H H 1 9.368 0.030 . 1 . . . . 48 HIS H . 11101 1 530 . 1 1 48 48 HIS HA H 1 4.634 0.030 . 1 . . . . 48 HIS HA . 11101 1 531 . 1 1 48 48 HIS HB2 H 1 3.395 0.030 . 2 . . . . 48 HIS HB2 . 11101 1 532 . 1 1 48 48 HIS HB3 H 1 3.032 0.030 . 2 . . . . 48 HIS HB3 . 11101 1 533 . 1 1 48 48 HIS HD2 H 1 7.282 0.030 . 1 . . . . 48 HIS HD2 . 11101 1 534 . 1 1 48 48 HIS C C 13 180.332 0.300 . 1 . . . . 48 HIS C . 11101 1 535 . 1 1 48 48 HIS CA C 13 59.247 0.300 . 1 . . . . 48 HIS CA . 11101 1 536 . 1 1 48 48 HIS CB C 13 30.623 0.300 . 1 . . . . 48 HIS CB . 11101 1 537 . 1 1 48 48 HIS CD2 C 13 120.110 0.300 . 1 . . . . 48 HIS CD2 . 11101 1 538 . 1 1 48 48 HIS N N 15 127.152 0.300 . 1 . . . . 48 HIS N . 11101 1 539 . 1 1 49 49 CYS H H 1 9.845 0.030 . 1 . . . . 49 CYS H . 11101 1 540 . 1 1 49 49 CYS HA H 1 4.033 0.030 . 1 . . . . 49 CYS HA . 11101 1 541 . 1 1 49 49 CYS HB2 H 1 3.607 0.030 . 2 . . . . 49 CYS HB2 . 11101 1 542 . 1 1 49 49 CYS HB3 H 1 2.780 0.030 . 2 . . . . 49 CYS HB3 . 11101 1 543 . 1 1 49 49 CYS C C 13 178.461 0.300 . 1 . . . . 49 CYS C . 11101 1 544 . 1 1 49 49 CYS CA C 13 64.646 0.300 . 1 . . . . 49 CYS CA . 11101 1 545 . 1 1 49 49 CYS CB C 13 28.866 0.300 . 1 . . . . 49 CYS CB . 11101 1 546 . 1 1 49 49 CYS N N 15 127.291 0.300 . 1 . . . . 49 CYS N . 11101 1 547 . 1 1 50 50 LYS H H 1 8.557 0.030 . 1 . . . . 50 LYS H . 11101 1 548 . 1 1 50 50 LYS HA H 1 3.999 0.030 . 1 . . . . 50 LYS HA . 11101 1 549 . 1 1 50 50 LYS HB2 H 1 1.915 0.030 . 1 . . . . 50 LYS HB2 . 11101 1 550 . 1 1 50 50 LYS HB3 H 1 1.915 0.030 . 1 . . . . 50 LYS HB3 . 11101 1 551 . 1 1 50 50 LYS HD2 H 1 1.678 0.030 . 2 . . . . 50 LYS HD2 . 11101 1 552 . 1 1 50 50 LYS HD3 H 1 1.667 0.030 . 2 . . . . 50 LYS HD3 . 11101 1 553 . 1 1 50 50 LYS HE2 H 1 2.970 0.030 . 2 . . . . 50 LYS HE2 . 11101 1 554 . 1 1 50 50 LYS HG2 H 1 1.394 0.030 . 2 . . . . 50 LYS HG2 . 11101 1 555 . 1 1 50 50 LYS HG3 H 1 1.567 0.030 . 2 . . . . 50 LYS HG3 . 11101 1 556 . 1 1 50 50 LYS C C 13 179.199 0.300 . 1 . . . . 50 LYS C . 11101 1 557 . 1 1 50 50 LYS CA C 13 60.056 0.300 . 1 . . . . 50 LYS CA . 11101 1 558 . 1 1 50 50 LYS CB C 13 32.427 0.300 . 1 . . . . 50 LYS CB . 11101 1 559 . 1 1 50 50 LYS CD C 13 29.409 0.300 . 1 . . . . 50 LYS CD . 11101 1 560 . 1 1 50 50 LYS CE C 13 42.194 0.300 . 1 . . . . 50 LYS CE . 11101 1 561 . 1 1 50 50 LYS CG C 13 25.274 0.300 . 1 . . . . 50 LYS CG . 11101 1 562 . 1 1 50 50 LYS N N 15 122.830 0.300 . 1 . . . . 50 LYS N . 11101 1 563 . 1 1 51 51 GLN H H 1 7.796 0.030 . 1 . . . . 51 GLN H . 11101 1 564 . 1 1 51 51 GLN HA H 1 4.106 0.030 . 1 . . . . 51 GLN HA . 11101 1 565 . 1 1 51 51 GLN HB2 H 1 2.287 0.030 . 1 . . . . 51 GLN HB2 . 11101 1 566 . 1 1 51 51 GLN HB3 H 1 2.287 0.030 . 1 . . . . 51 GLN HB3 . 11101 1 567 . 1 1 51 51 GLN HE21 H 1 6.896 0.030 . 2 . . . . 51 GLN HE21 . 11101 1 568 . 1 1 51 51 GLN HE22 H 1 7.518 0.030 . 2 . . . . 51 GLN HE22 . 11101 1 569 . 1 1 51 51 GLN HG2 H 1 2.608 0.030 . 2 . . . . 51 GLN HG2 . 11101 1 570 . 1 1 51 51 GLN HG3 H 1 2.507 0.030 . 2 . . . . 51 GLN HG3 . 11101 1 571 . 1 1 51 51 GLN C C 13 177.218 0.300 . 1 . . . . 51 GLN C . 11101 1 572 . 1 1 51 51 GLN CA C 13 58.496 0.300 . 1 . . . . 51 GLN CA . 11101 1 573 . 1 1 51 51 GLN CB C 13 28.797 0.300 . 1 . . . . 51 GLN CB . 11101 1 574 . 1 1 51 51 GLN CG C 13 34.066 0.300 . 1 . . . . 51 GLN CG . 11101 1 575 . 1 1 51 51 GLN N N 15 117.759 0.300 . 1 . . . . 51 GLN N . 11101 1 576 . 1 1 51 51 GLN NE2 N 15 112.064 0.300 . 1 . . . . 51 GLN NE2 . 11101 1 577 . 1 1 52 52 PHE H H 1 7.722 0.030 . 1 . . . . 52 PHE H . 11101 1 578 . 1 1 52 52 PHE HA H 1 4.720 0.030 . 1 . . . . 52 PHE HA . 11101 1 579 . 1 1 52 52 PHE HB2 H 1 3.489 0.030 . 2 . . . . 52 PHE HB2 . 11101 1 580 . 1 1 52 52 PHE HB3 H 1 2.746 0.030 . 2 . . . . 52 PHE HB3 . 11101 1 581 . 1 1 52 52 PHE HD1 H 1 7.284 0.030 . 1 . . . . 52 PHE HD1 . 11101 1 582 . 1 1 52 52 PHE HD2 H 1 7.284 0.030 . 1 . . . . 52 PHE HD2 . 11101 1 583 . 1 1 52 52 PHE HE1 H 1 6.810 0.030 . 1 . . . . 52 PHE HE1 . 11101 1 584 . 1 1 52 52 PHE HE2 H 1 6.810 0.030 . 1 . . . . 52 PHE HE2 . 11101 1 585 . 1 1 52 52 PHE HZ H 1 6.796 0.030 . 1 . . . . 52 PHE HZ . 11101 1 586 . 1 1 52 52 PHE C C 13 175.627 0.300 . 1 . . . . 52 PHE C . 11101 1 587 . 1 1 52 52 PHE CA C 13 57.956 0.300 . 1 . . . . 52 PHE CA . 11101 1 588 . 1 1 52 52 PHE CB C 13 40.402 0.300 . 1 . . . . 52 PHE CB . 11101 1 589 . 1 1 52 52 PHE CD1 C 13 132.271 0.300 . 1 . . . . 52 PHE CD1 . 11101 1 590 . 1 1 52 52 PHE CD2 C 13 132.271 0.300 . 1 . . . . 52 PHE CD2 . 11101 1 591 . 1 1 52 52 PHE CE1 C 13 130.277 0.300 . 1 . . . . 52 PHE CE1 . 11101 1 592 . 1 1 52 52 PHE CE2 C 13 130.277 0.300 . 1 . . . . 52 PHE CE2 . 11101 1 593 . 1 1 52 52 PHE CZ C 13 127.929 0.300 . 1 . . . . 52 PHE CZ . 11101 1 594 . 1 1 52 52 PHE N N 15 116.083 0.300 . 1 . . . . 52 PHE N . 11101 1 595 . 1 1 53 53 ALA H H 1 7.482 0.030 . 1 . . . . 53 ALA H . 11101 1 596 . 1 1 53 53 ALA HA H 1 3.942 0.030 . 1 . . . . 53 ALA HA . 11101 1 597 . 1 1 53 53 ALA HB1 H 1 1.377 0.030 . 1 . . . . 53 ALA HB . 11101 1 598 . 1 1 53 53 ALA HB2 H 1 1.377 0.030 . 1 . . . . 53 ALA HB . 11101 1 599 . 1 1 53 53 ALA HB3 H 1 1.377 0.030 . 1 . . . . 53 ALA HB . 11101 1 600 . 1 1 53 53 ALA C C 13 176.683 0.300 . 1 . . . . 53 ALA C . 11101 1 601 . 1 1 53 53 ALA CA C 13 57.188 0.300 . 1 . . . . 53 ALA CA . 11101 1 602 . 1 1 53 53 ALA CB C 13 15.601 0.300 . 1 . . . . 53 ALA CB . 11101 1 603 . 1 1 53 53 ALA N N 15 122.011 0.300 . 1 . . . . 53 ALA N . 11101 1 604 . 1 1 54 54 PRO HA H 1 4.313 0.030 . 1 . . . . 54 PRO HA . 11101 1 605 . 1 1 54 54 PRO HB2 H 1 2.284 0.030 . 2 . . . . 54 PRO HB2 . 11101 1 606 . 1 1 54 54 PRO HB3 H 1 1.840 0.030 . 2 . . . . 54 PRO HB3 . 11101 1 607 . 1 1 54 54 PRO HD2 H 1 3.798 0.030 . 2 . . . . 54 PRO HD2 . 11101 1 608 . 1 1 54 54 PRO HD3 H 1 3.619 0.030 . 2 . . . . 54 PRO HD3 . 11101 1 609 . 1 1 54 54 PRO HG2 H 1 1.977 0.030 . 2 . . . . 54 PRO HG2 . 11101 1 610 . 1 1 54 54 PRO C C 13 179.981 0.300 . 1 . . . . 54 PRO C . 11101 1 611 . 1 1 54 54 PRO CA C 13 65.231 0.300 . 1 . . . . 54 PRO CA . 11101 1 612 . 1 1 54 54 PRO CB C 13 30.843 0.300 . 1 . . . . 54 PRO CB . 11101 1 613 . 1 1 54 54 PRO CD C 13 50.315 0.300 . 1 . . . . 54 PRO CD . 11101 1 614 . 1 1 54 54 PRO CG C 13 28.170 0.300 . 1 . . . . 54 PRO CG . 11101 1 615 . 1 1 55 55 GLU H H 1 6.944 0.030 . 1 . . . . 55 GLU H . 11101 1 616 . 1 1 55 55 GLU HA H 1 3.968 0.030 . 1 . . . . 55 GLU HA . 11101 1 617 . 1 1 55 55 GLU HB2 H 1 2.024 0.030 . 2 . . . . 55 GLU HB2 . 11101 1 618 . 1 1 55 55 GLU HB3 H 1 1.885 0.030 . 2 . . . . 55 GLU HB3 . 11101 1 619 . 1 1 55 55 GLU HG2 H 1 2.337 0.030 . 1 . . . . 55 GLU HG2 . 11101 1 620 . 1 1 55 55 GLU HG3 H 1 2.337 0.030 . 1 . . . . 55 GLU HG3 . 11101 1 621 . 1 1 55 55 GLU C C 13 178.467 0.300 . 1 . . . . 55 GLU C . 11101 1 622 . 1 1 55 55 GLU CA C 13 58.209 0.300 . 1 . . . . 55 GLU CA . 11101 1 623 . 1 1 55 55 GLU CB C 13 29.017 0.300 . 1 . . . . 55 GLU CB . 11101 1 624 . 1 1 55 55 GLU CG C 13 35.139 0.300 . 1 . . . . 55 GLU CG . 11101 1 625 . 1 1 55 55 GLU N N 15 119.903 0.300 . 1 . . . . 55 GLU N . 11101 1 626 . 1 1 56 56 TYR H H 1 7.738 0.030 . 1 . . . . 56 TYR H . 11101 1 627 . 1 1 56 56 TYR HA H 1 3.802 0.030 . 1 . . . . 56 TYR HA . 11101 1 628 . 1 1 56 56 TYR HB2 H 1 2.697 0.030 . 2 . . . . 56 TYR HB2 . 11101 1 629 . 1 1 56 56 TYR HB3 H 1 1.964 0.030 . 2 . . . . 56 TYR HB3 . 11101 1 630 . 1 1 56 56 TYR HD1 H 1 6.819 0.030 . 1 . . . . 56 TYR HD1 . 11101 1 631 . 1 1 56 56 TYR HD2 H 1 6.819 0.030 . 1 . . . . 56 TYR HD2 . 11101 1 632 . 1 1 56 56 TYR HE1 H 1 6.232 0.030 . 1 . . . . 56 TYR HE1 . 11101 1 633 . 1 1 56 56 TYR HE2 H 1 6.232 0.030 . 1 . . . . 56 TYR HE2 . 11101 1 634 . 1 1 56 56 TYR C C 13 177.615 0.300 . 1 . . . . 56 TYR C . 11101 1 635 . 1 1 56 56 TYR CA C 13 61.078 0.300 . 1 . . . . 56 TYR CA . 11101 1 636 . 1 1 56 56 TYR CB C 13 37.084 0.300 . 1 . . . . 56 TYR CB . 11101 1 637 . 1 1 56 56 TYR CD1 C 13 131.668 0.300 . 1 . . . . 56 TYR CD1 . 11101 1 638 . 1 1 56 56 TYR CD2 C 13 131.668 0.300 . 1 . . . . 56 TYR CD2 . 11101 1 639 . 1 1 56 56 TYR CE1 C 13 117.471 0.300 . 1 . . . . 56 TYR CE1 . 11101 1 640 . 1 1 56 56 TYR CE2 C 13 117.471 0.300 . 1 . . . . 56 TYR CE2 . 11101 1 641 . 1 1 56 56 TYR N N 15 121.864 0.300 . 1 . . . . 56 TYR N . 11101 1 642 . 1 1 57 57 GLU H H 1 7.382 0.030 . 1 . . . . 57 GLU H . 11101 1 643 . 1 1 57 57 GLU HA H 1 3.566 0.030 . 1 . . . . 57 GLU HA . 11101 1 644 . 1 1 57 57 GLU HB2 H 1 2.131 0.030 . 2 . . . . 57 GLU HB2 . 11101 1 645 . 1 1 57 57 GLU HB3 H 1 1.911 0.030 . 2 . . . . 57 GLU HB3 . 11101 1 646 . 1 1 57 57 GLU HG2 H 1 2.371 0.030 . 1 . . . . 57 GLU HG2 . 11101 1 647 . 1 1 57 57 GLU HG3 H 1 2.371 0.030 . 1 . . . . 57 GLU HG3 . 11101 1 648 . 1 1 57 57 GLU C C 13 179.727 0.300 . 1 . . . . 57 GLU C . 11101 1 649 . 1 1 57 57 GLU CA C 13 59.089 0.300 . 1 . . . . 57 GLU CA . 11101 1 650 . 1 1 57 57 GLU CB C 13 28.421 0.300 . 1 . . . . 57 GLU CB . 11101 1 651 . 1 1 57 57 GLU CG C 13 37.175 0.300 . 1 . . . . 57 GLU CG . 11101 1 652 . 1 1 57 57 GLU N N 15 116.049 0.300 . 1 . . . . 57 GLU N . 11101 1 653 . 1 1 58 58 LYS H H 1 7.377 0.030 . 1 . . . . 58 LYS H . 11101 1 654 . 1 1 58 58 LYS HA H 1 4.032 0.030 . 1 . . . . 58 LYS HA . 11101 1 655 . 1 1 58 58 LYS HB2 H 1 1.922 0.030 . 2 . . . . 58 LYS HB2 . 11101 1 656 . 1 1 58 58 LYS HB3 H 1 1.861 0.030 . 2 . . . . 58 LYS HB3 . 11101 1 657 . 1 1 58 58 LYS HD2 H 1 1.667 0.030 . 2 . . . . 58 LYS HD2 . 11101 1 658 . 1 1 58 58 LYS HD3 H 1 1.588 0.030 . 2 . . . . 58 LYS HD3 . 11101 1 659 . 1 1 58 58 LYS HE2 H 1 2.919 0.030 . 2 . . . . 58 LYS HE2 . 11101 1 660 . 1 1 58 58 LYS HE3 H 1 2.880 0.030 . 2 . . . . 58 LYS HE3 . 11101 1 661 . 1 1 58 58 LYS HG2 H 1 1.412 0.030 . 2 . . . . 58 LYS HG2 . 11101 1 662 . 1 1 58 58 LYS HG3 H 1 1.576 0.030 . 2 . . . . 58 LYS HG3 . 11101 1 663 . 1 1 58 58 LYS C C 13 179.638 0.300 . 1 . . . . 58 LYS C . 11101 1 664 . 1 1 58 58 LYS CA C 13 59.502 0.300 . 1 . . . . 58 LYS CA . 11101 1 665 . 1 1 58 58 LYS CB C 13 31.708 0.300 . 1 . . . . 58 LYS CB . 11101 1 666 . 1 1 58 58 LYS CD C 13 29.406 0.300 . 1 . . . . 58 LYS CD . 11101 1 667 . 1 1 58 58 LYS CE C 13 42.223 0.300 . 1 . . . . 58 LYS CE . 11101 1 668 . 1 1 58 58 LYS CG C 13 25.281 0.300 . 1 . . . . 58 LYS CG . 11101 1 669 . 1 1 58 58 LYS N N 15 122.106 0.300 . 1 . . . . 58 LYS N . 11101 1 670 . 1 1 59 59 ILE H H 1 7.931 0.030 . 1 . . . . 59 ILE H . 11101 1 671 . 1 1 59 59 ILE HA H 1 3.330 0.030 . 1 . . . . 59 ILE HA . 11101 1 672 . 1 1 59 59 ILE HB H 1 1.929 0.030 . 1 . . . . 59 ILE HB . 11101 1 673 . 1 1 59 59 ILE HD11 H 1 0.912 0.030 . 1 . . . . 59 ILE HD1 . 11101 1 674 . 1 1 59 59 ILE HD12 H 1 0.912 0.030 . 1 . . . . 59 ILE HD1 . 11101 1 675 . 1 1 59 59 ILE HD13 H 1 0.912 0.030 . 1 . . . . 59 ILE HD1 . 11101 1 676 . 1 1 59 59 ILE HG12 H 1 1.846 0.030 . 2 . . . . 59 ILE HG12 . 11101 1 677 . 1 1 59 59 ILE HG13 H 1 0.895 0.030 . 2 . . . . 59 ILE HG13 . 11101 1 678 . 1 1 59 59 ILE HG21 H 1 0.561 0.030 . 1 . . . . 59 ILE HG2 . 11101 1 679 . 1 1 59 59 ILE HG22 H 1 0.561 0.030 . 1 . . . . 59 ILE HG2 . 11101 1 680 . 1 1 59 59 ILE HG23 H 1 0.561 0.030 . 1 . . . . 59 ILE HG2 . 11101 1 681 . 1 1 59 59 ILE C C 13 177.183 0.300 . 1 . . . . 59 ILE C . 11101 1 682 . 1 1 59 59 ILE CA C 13 65.897 0.300 . 1 . . . . 59 ILE CA . 11101 1 683 . 1 1 59 59 ILE CB C 13 37.119 0.300 . 1 . . . . 59 ILE CB . 11101 1 684 . 1 1 59 59 ILE CD1 C 13 15.048 0.300 . 1 . . . . 59 ILE CD1 . 11101 1 685 . 1 1 59 59 ILE CG1 C 13 30.153 0.300 . 1 . . . . 59 ILE CG1 . 11101 1 686 . 1 1 59 59 ILE CG2 C 13 17.515 0.300 . 1 . . . . 59 ILE CG2 . 11101 1 687 . 1 1 59 59 ILE N N 15 122.466 0.300 . 1 . . . . 59 ILE N . 11101 1 688 . 1 1 60 60 ALA H H 1 7.863 0.030 . 1 . . . . 60 ALA H . 11101 1 689 . 1 1 60 60 ALA HA H 1 3.807 0.030 . 1 . . . . 60 ALA HA . 11101 1 690 . 1 1 60 60 ALA HB1 H 1 1.179 0.030 . 1 . . . . 60 ALA HB . 11101 1 691 . 1 1 60 60 ALA HB2 H 1 1.179 0.030 . 1 . . . . 60 ALA HB . 11101 1 692 . 1 1 60 60 ALA HB3 H 1 1.179 0.030 . 1 . . . . 60 ALA HB . 11101 1 693 . 1 1 60 60 ALA C C 13 180.042 0.300 . 1 . . . . 60 ALA C . 11101 1 694 . 1 1 60 60 ALA CA C 13 55.345 0.300 . 1 . . . . 60 ALA CA . 11101 1 695 . 1 1 60 60 ALA CB C 13 17.873 0.300 . 1 . . . . 60 ALA CB . 11101 1 696 . 1 1 60 60 ALA N N 15 120.869 0.300 . 1 . . . . 60 ALA N . 11101 1 697 . 1 1 61 61 SER H H 1 7.666 0.030 . 1 . . . . 61 SER H . 11101 1 698 . 1 1 61 61 SER HA H 1 4.113 0.030 . 1 . . . . 61 SER HA . 11101 1 699 . 1 1 61 61 SER HB2 H 1 3.947 0.030 . 2 . . . . 61 SER HB2 . 11101 1 700 . 1 1 61 61 SER HB3 H 1 3.895 0.030 . 2 . . . . 61 SER HB3 . 11101 1 701 . 1 1 61 61 SER C C 13 177.256 0.300 . 1 . . . . 61 SER C . 11101 1 702 . 1 1 61 61 SER CA C 13 61.385 0.300 . 1 . . . . 61 SER CA . 11101 1 703 . 1 1 61 61 SER CB C 13 62.523 0.300 . 1 . . . . 61 SER CB . 11101 1 704 . 1 1 61 61 SER N N 15 113.025 0.300 . 1 . . . . 61 SER N . 11101 1 705 . 1 1 62 62 THR H H 1 8.223 0.030 . 1 . . . . 62 THR H . 11101 1 706 . 1 1 62 62 THR HA H 1 3.937 0.030 . 1 . . . . 62 THR HA . 11101 1 707 . 1 1 62 62 THR HB H 1 4.167 0.030 . 1 . . . . 62 THR HB . 11101 1 708 . 1 1 62 62 THR HG21 H 1 1.160 0.030 . 1 . . . . 62 THR HG2 . 11101 1 709 . 1 1 62 62 THR HG22 H 1 1.160 0.030 . 1 . . . . 62 THR HG2 . 11101 1 710 . 1 1 62 62 THR HG23 H 1 1.160 0.030 . 1 . . . . 62 THR HG2 . 11101 1 711 . 1 1 62 62 THR C C 13 176.929 0.300 . 1 . . . . 62 THR C . 11101 1 712 . 1 1 62 62 THR CA C 13 66.459 0.300 . 1 . . . . 62 THR CA . 11101 1 713 . 1 1 62 62 THR CB C 13 68.605 0.300 . 1 . . . . 62 THR CB . 11101 1 714 . 1 1 62 62 THR CG2 C 13 22.396 0.300 . 1 . . . . 62 THR CG2 . 11101 1 715 . 1 1 62 62 THR N N 15 119.717 0.300 . 1 . . . . 62 THR N . 11101 1 716 . 1 1 63 63 LEU H H 1 8.178 0.030 . 1 . . . . 63 LEU H . 11101 1 717 . 1 1 63 63 LEU HA H 1 4.116 0.030 . 1 . . . . 63 LEU HA . 11101 1 718 . 1 1 63 63 LEU HB2 H 1 1.677 0.030 . 1 . . . . 63 LEU HB2 . 11101 1 719 . 1 1 63 63 LEU HB3 H 1 1.677 0.030 . 1 . . . . 63 LEU HB3 . 11101 1 720 . 1 1 63 63 LEU HD11 H 1 0.602 0.030 . 1 . . . . 63 LEU HD1 . 11101 1 721 . 1 1 63 63 LEU HD12 H 1 0.602 0.030 . 1 . . . . 63 LEU HD1 . 11101 1 722 . 1 1 63 63 LEU HD13 H 1 0.602 0.030 . 1 . . . . 63 LEU HD1 . 11101 1 723 . 1 1 63 63 LEU HD21 H 1 0.746 0.030 . 1 . . . . 63 LEU HD2 . 11101 1 724 . 1 1 63 63 LEU HD22 H 1 0.746 0.030 . 1 . . . . 63 LEU HD2 . 11101 1 725 . 1 1 63 63 LEU HD23 H 1 0.746 0.030 . 1 . . . . 63 LEU HD2 . 11101 1 726 . 1 1 63 63 LEU HG H 1 1.689 0.030 . 1 . . . . 63 LEU HG . 11101 1 727 . 1 1 63 63 LEU C C 13 177.807 0.300 . 1 . . . . 63 LEU C . 11101 1 728 . 1 1 63 63 LEU CA C 13 56.379 0.300 . 1 . . . . 63 LEU CA . 11101 1 729 . 1 1 63 63 LEU CB C 13 40.921 0.300 . 1 . . . . 63 LEU CB . 11101 1 730 . 1 1 63 63 LEU CD1 C 13 26.819 0.300 . 2 . . . . 63 LEU CD1 . 11101 1 731 . 1 1 63 63 LEU CD2 C 13 22.464 0.300 . 2 . . . . 63 LEU CD2 . 11101 1 732 . 1 1 63 63 LEU CG C 13 26.798 0.300 . 1 . . . . 63 LEU CG . 11101 1 733 . 1 1 63 63 LEU N N 15 118.911 0.300 . 1 . . . . 63 LEU N . 11101 1 734 . 1 1 64 64 LYS H H 1 7.637 0.030 . 1 . . . . 64 LYS H . 11101 1 735 . 1 1 64 64 LYS HA H 1 4.181 0.030 . 1 . . . . 64 LYS HA . 11101 1 736 . 1 1 64 64 LYS HB2 H 1 2.019 0.030 . 2 . . . . 64 LYS HB2 . 11101 1 737 . 1 1 64 64 LYS HB3 H 1 1.918 0.030 . 2 . . . . 64 LYS HB3 . 11101 1 738 . 1 1 64 64 LYS HD2 H 1 1.694 0.030 . 1 . . . . 64 LYS HD2 . 11101 1 739 . 1 1 64 64 LYS HD3 H 1 1.694 0.030 . 1 . . . . 64 LYS HD3 . 11101 1 740 . 1 1 64 64 LYS HE2 H 1 2.991 0.030 . 1 . . . . 64 LYS HE2 . 11101 1 741 . 1 1 64 64 LYS HE3 H 1 2.991 0.030 . 1 . . . . 64 LYS HE3 . 11101 1 742 . 1 1 64 64 LYS HG2 H 1 1.552 0.030 . 1 . . . . 64 LYS HG2 . 11101 1 743 . 1 1 64 64 LYS HG3 H 1 1.552 0.030 . 1 . . . . 64 LYS HG3 . 11101 1 744 . 1 1 64 64 LYS C C 13 176.608 0.300 . 1 . . . . 64 LYS C . 11101 1 745 . 1 1 64 64 LYS CA C 13 58.823 0.300 . 1 . . . . 64 LYS CA . 11101 1 746 . 1 1 64 64 LYS CB C 13 32.215 0.300 . 1 . . . . 64 LYS CB . 11101 1 747 . 1 1 64 64 LYS CD C 13 29.393 0.300 . 1 . . . . 64 LYS CD . 11101 1 748 . 1 1 64 64 LYS CE C 13 42.244 0.300 . 1 . . . . 64 LYS CE . 11101 1 749 . 1 1 64 64 LYS CG C 13 24.702 0.300 . 1 . . . . 64 LYS CG . 11101 1 750 . 1 1 64 64 LYS N N 15 122.315 0.300 . 1 . . . . 64 LYS N . 11101 1 751 . 1 1 65 65 ASP H H 1 7.304 0.030 . 1 . . . . 65 ASP H . 11101 1 752 . 1 1 65 65 ASP HA H 1 4.793 0.030 . 1 . . . . 65 ASP HA . 11101 1 753 . 1 1 65 65 ASP HB2 H 1 2.875 0.030 . 2 . . . . 65 ASP HB2 . 11101 1 754 . 1 1 65 65 ASP HB3 H 1 2.561 0.030 . 2 . . . . 65 ASP HB3 . 11101 1 755 . 1 1 65 65 ASP C C 13 175.660 0.300 . 1 . . . . 65 ASP C . 11101 1 756 . 1 1 65 65 ASP CA C 13 53.746 0.300 . 1 . . . . 65 ASP CA . 11101 1 757 . 1 1 65 65 ASP CB C 13 40.852 0.300 . 1 . . . . 65 ASP CB . 11101 1 758 . 1 1 65 65 ASP N N 15 116.662 0.300 . 1 . . . . 65 ASP N . 11101 1 759 . 1 1 66 66 ASN H H 1 7.190 0.030 . 1 . . . . 66 ASN H . 11101 1 760 . 1 1 66 66 ASN HA H 1 4.256 0.030 . 1 . . . . 66 ASN HA . 11101 1 761 . 1 1 66 66 ASN HB2 H 1 2.946 0.030 . 2 . . . . 66 ASN HB2 . 11101 1 762 . 1 1 66 66 ASN HB3 H 1 2.419 0.030 . 2 . . . . 66 ASN HB3 . 11101 1 763 . 1 1 66 66 ASN HD21 H 1 8.482 0.030 . 2 . . . . 66 ASN HD21 . 11101 1 764 . 1 1 66 66 ASN HD22 H 1 7.324 0.030 . 2 . . . . 66 ASN HD22 . 11101 1 765 . 1 1 66 66 ASN C C 13 172.581 0.300 . 1 . . . . 66 ASN C . 11101 1 766 . 1 1 66 66 ASN CA C 13 54.161 0.300 . 1 . . . . 66 ASN CA . 11101 1 767 . 1 1 66 66 ASN CB C 13 41.642 0.300 . 1 . . . . 66 ASN CB . 11101 1 768 . 1 1 66 66 ASN N N 15 119.565 0.300 . 1 . . . . 66 ASN N . 11101 1 769 . 1 1 66 66 ASN ND2 N 15 118.053 0.300 . 1 . . . . 66 ASN ND2 . 11101 1 770 . 1 1 67 67 ASP H H 1 8.001 0.030 . 1 . . . . 67 ASP H . 11101 1 771 . 1 1 67 67 ASP HA H 1 5.048 0.030 . 1 . . . . 67 ASP HA . 11101 1 772 . 1 1 67 67 ASP HB2 H 1 2.811 0.030 . 2 . . . . 67 ASP HB2 . 11101 1 773 . 1 1 67 67 ASP HB3 H 1 2.453 0.030 . 2 . . . . 67 ASP HB3 . 11101 1 774 . 1 1 67 67 ASP C C 13 173.972 0.300 . 1 . . . . 67 ASP C . 11101 1 775 . 1 1 67 67 ASP CA C 13 50.109 0.300 . 1 . . . . 67 ASP CA . 11101 1 776 . 1 1 67 67 ASP CB C 13 42.012 0.300 . 1 . . . . 67 ASP CB . 11101 1 777 . 1 1 67 67 ASP N N 15 121.830 0.300 . 1 . . . . 67 ASP N . 11101 1 778 . 1 1 68 68 PRO HA H 1 5.271 0.030 . 1 . . . . 68 PRO HA . 11101 1 779 . 1 1 68 68 PRO HB2 H 1 2.361 0.030 . 2 . . . . 68 PRO HB2 . 11101 1 780 . 1 1 68 68 PRO HB3 H 1 2.115 0.030 . 2 . . . . 68 PRO HB3 . 11101 1 781 . 1 1 68 68 PRO HD2 H 1 3.505 0.030 . 2 . . . . 68 PRO HD2 . 11101 1 782 . 1 1 68 68 PRO HD3 H 1 3.399 0.030 . 2 . . . . 68 PRO HD3 . 11101 1 783 . 1 1 68 68 PRO HG2 H 1 1.981 0.030 . 2 . . . . 68 PRO HG2 . 11101 1 784 . 1 1 68 68 PRO HG3 H 1 1.815 0.030 . 2 . . . . 68 PRO HG3 . 11101 1 785 . 1 1 68 68 PRO CA C 13 62.686 0.300 . 1 . . . . 68 PRO CA . 11101 1 786 . 1 1 68 68 PRO CB C 13 33.034 0.300 . 1 . . . . 68 PRO CB . 11101 1 787 . 1 1 68 68 PRO CD C 13 49.976 0.300 . 1 . . . . 68 PRO CD . 11101 1 788 . 1 1 68 68 PRO CG C 13 24.665 0.300 . 1 . . . . 68 PRO CG . 11101 1 789 . 1 1 69 69 PRO HA H 1 4.444 0.030 . 1 . . . . 69 PRO HA . 11101 1 790 . 1 1 69 69 PRO HB2 H 1 2.457 0.030 . 2 . . . . 69 PRO HB2 . 11101 1 791 . 1 1 69 69 PRO HB3 H 1 1.886 0.030 . 2 . . . . 69 PRO HB3 . 11101 1 792 . 1 1 69 69 PRO HD2 H 1 3.894 0.030 . 2 . . . . 69 PRO HD2 . 11101 1 793 . 1 1 69 69 PRO HD3 H 1 3.673 0.030 . 2 . . . . 69 PRO HD3 . 11101 1 794 . 1 1 69 69 PRO HG2 H 1 2.196 0.030 . 2 . . . . 69 PRO HG2 . 11101 1 795 . 1 1 69 69 PRO HG3 H 1 2.151 0.030 . 2 . . . . 69 PRO HG3 . 11101 1 796 . 1 1 69 69 PRO C C 13 177.344 0.300 . 1 . . . . 69 PRO C . 11101 1 797 . 1 1 69 69 PRO CA C 13 63.620 0.300 . 1 . . . . 69 PRO CA . 11101 1 798 . 1 1 69 69 PRO CB C 13 32.113 0.300 . 1 . . . . 69 PRO CB . 11101 1 799 . 1 1 69 69 PRO CD C 13 50.188 0.300 . 1 . . . . 69 PRO CD . 11101 1 800 . 1 1 69 69 PRO CG C 13 27.999 0.300 . 1 . . . . 69 PRO CG . 11101 1 801 . 1 1 70 70 ILE H H 1 7.784 0.030 . 1 . . . . 70 ILE H . 11101 1 802 . 1 1 70 70 ILE HA H 1 4.342 0.030 . 1 . . . . 70 ILE HA . 11101 1 803 . 1 1 70 70 ILE HB H 1 1.615 0.030 . 1 . . . . 70 ILE HB . 11101 1 804 . 1 1 70 70 ILE HD11 H 1 0.703 0.030 . 1 . . . . 70 ILE HD1 . 11101 1 805 . 1 1 70 70 ILE HD12 H 1 0.703 0.030 . 1 . . . . 70 ILE HD1 . 11101 1 806 . 1 1 70 70 ILE HD13 H 1 0.703 0.030 . 1 . . . . 70 ILE HD1 . 11101 1 807 . 1 1 70 70 ILE HG12 H 1 1.554 0.030 . 2 . . . . 70 ILE HG12 . 11101 1 808 . 1 1 70 70 ILE HG13 H 1 1.122 0.030 . 2 . . . . 70 ILE HG13 . 11101 1 809 . 1 1 70 70 ILE HG21 H 1 0.708 0.030 . 1 . . . . 70 ILE HG2 . 11101 1 810 . 1 1 70 70 ILE HG22 H 1 0.708 0.030 . 1 . . . . 70 ILE HG2 . 11101 1 811 . 1 1 70 70 ILE HG23 H 1 0.708 0.030 . 1 . . . . 70 ILE HG2 . 11101 1 812 . 1 1 70 70 ILE C C 13 174.615 0.300 . 1 . . . . 70 ILE C . 11101 1 813 . 1 1 70 70 ILE CA C 13 59.515 0.300 . 1 . . . . 70 ILE CA . 11101 1 814 . 1 1 70 70 ILE CB C 13 41.081 0.300 . 1 . . . . 70 ILE CB . 11101 1 815 . 1 1 70 70 ILE CD1 C 13 13.457 0.300 . 1 . . . . 70 ILE CD1 . 11101 1 816 . 1 1 70 70 ILE CG1 C 13 27.300 0.300 . 1 . . . . 70 ILE CG1 . 11101 1 817 . 1 1 70 70 ILE CG2 C 13 16.548 0.300 . 1 . . . . 70 ILE CG2 . 11101 1 818 . 1 1 70 70 ILE N N 15 123.842 0.300 . 1 . . . . 70 ILE N . 11101 1 819 . 1 1 71 71 ALA H H 1 8.783 0.030 . 1 . . . . 71 ALA H . 11101 1 820 . 1 1 71 71 ALA HA H 1 4.515 0.030 . 1 . . . . 71 ALA HA . 11101 1 821 . 1 1 71 71 ALA HB1 H 1 1.467 0.030 . 1 . . . . 71 ALA HB . 11101 1 822 . 1 1 71 71 ALA HB2 H 1 1.467 0.030 . 1 . . . . 71 ALA HB . 11101 1 823 . 1 1 71 71 ALA HB3 H 1 1.467 0.030 . 1 . . . . 71 ALA HB . 11101 1 824 . 1 1 71 71 ALA C C 13 174.958 0.300 . 1 . . . . 71 ALA C . 11101 1 825 . 1 1 71 71 ALA CA C 13 52.171 0.300 . 1 . . . . 71 ALA CA . 11101 1 826 . 1 1 71 71 ALA CB C 13 20.086 0.300 . 1 . . . . 71 ALA CB . 11101 1 827 . 1 1 71 71 ALA N N 15 130.371 0.300 . 1 . . . . 71 ALA N . 11101 1 828 . 1 1 72 72 VAL H H 1 9.073 0.030 . 1 . . . . 72 VAL H . 11101 1 829 . 1 1 72 72 VAL HA H 1 4.644 0.030 . 1 . . . . 72 VAL HA . 11101 1 830 . 1 1 72 72 VAL HB H 1 1.893 0.030 . 1 . . . . 72 VAL HB . 11101 1 831 . 1 1 72 72 VAL HG11 H 1 0.422 0.030 . 1 . . . . 72 VAL HG1 . 11101 1 832 . 1 1 72 72 VAL HG12 H 1 0.422 0.030 . 1 . . . . 72 VAL HG1 . 11101 1 833 . 1 1 72 72 VAL HG13 H 1 0.422 0.030 . 1 . . . . 72 VAL HG1 . 11101 1 834 . 1 1 72 72 VAL HG21 H 1 0.836 0.030 . 1 . . . . 72 VAL HG2 . 11101 1 835 . 1 1 72 72 VAL HG22 H 1 0.836 0.030 . 1 . . . . 72 VAL HG2 . 11101 1 836 . 1 1 72 72 VAL HG23 H 1 0.836 0.030 . 1 . . . . 72 VAL HG2 . 11101 1 837 . 1 1 72 72 VAL C C 13 174.367 0.300 . 1 . . . . 72 VAL C . 11101 1 838 . 1 1 72 72 VAL CA C 13 62.065 0.300 . 1 . . . . 72 VAL CA . 11101 1 839 . 1 1 72 72 VAL CB C 13 33.729 0.300 . 1 . . . . 72 VAL CB . 11101 1 840 . 1 1 72 72 VAL CG1 C 13 22.329 0.300 . 2 . . . . 72 VAL CG1 . 11101 1 841 . 1 1 72 72 VAL CG2 C 13 23.883 0.300 . 2 . . . . 72 VAL CG2 . 11101 1 842 . 1 1 72 72 VAL N N 15 122.547 0.300 . 1 . . . . 72 VAL N . 11101 1 843 . 1 1 73 73 ALA H H 1 9.350 0.030 . 1 . . . . 73 ALA H . 11101 1 844 . 1 1 73 73 ALA HA H 1 5.849 0.030 . 1 . . . . 73 ALA HA . 11101 1 845 . 1 1 73 73 ALA HB1 H 1 1.186 0.030 . 1 . . . . 73 ALA HB . 11101 1 846 . 1 1 73 73 ALA HB2 H 1 1.186 0.030 . 1 . . . . 73 ALA HB . 11101 1 847 . 1 1 73 73 ALA HB3 H 1 1.186 0.030 . 1 . . . . 73 ALA HB . 11101 1 848 . 1 1 73 73 ALA C C 13 176.904 0.300 . 1 . . . . 73 ALA C . 11101 1 849 . 1 1 73 73 ALA CA C 13 50.150 0.300 . 1 . . . . 73 ALA CA . 11101 1 850 . 1 1 73 73 ALA CB C 13 25.111 0.300 . 1 . . . . 73 ALA CB . 11101 1 851 . 1 1 73 73 ALA N N 15 127.080 0.300 . 1 . . . . 73 ALA N . 11101 1 852 . 1 1 74 74 LYS H H 1 9.813 0.030 . 1 . . . . 74 LYS H . 11101 1 853 . 1 1 74 74 LYS HA H 1 5.661 0.030 . 1 . . . . 74 LYS HA . 11101 1 854 . 1 1 74 74 LYS HB2 H 1 1.981 0.030 . 2 . . . . 74 LYS HB2 . 11101 1 855 . 1 1 74 74 LYS HB3 H 1 1.576 0.030 . 2 . . . . 74 LYS HB3 . 11101 1 856 . 1 1 74 74 LYS HD2 H 1 1.256 0.030 . 1 . . . . 74 LYS HD2 . 11101 1 857 . 1 1 74 74 LYS HD3 H 1 1.256 0.030 . 1 . . . . 74 LYS HD3 . 11101 1 858 . 1 1 74 74 LYS HE2 H 1 2.483 0.030 . 2 . . . . 74 LYS HE2 . 11101 1 859 . 1 1 74 74 LYS HE3 H 1 2.789 0.030 . 2 . . . . 74 LYS HE3 . 11101 1 860 . 1 1 74 74 LYS HG2 H 1 1.483 0.030 . 2 . . . . 74 LYS HG2 . 11101 1 861 . 1 1 74 74 LYS HG3 H 1 1.447 0.030 . 2 . . . . 74 LYS HG3 . 11101 1 862 . 1 1 74 74 LYS C C 13 172.908 0.300 . 1 . . . . 74 LYS C . 11101 1 863 . 1 1 74 74 LYS CA C 13 53.864 0.300 . 1 . . . . 74 LYS CA . 11101 1 864 . 1 1 74 74 LYS CB C 13 36.570 0.300 . 1 . . . . 74 LYS CB . 11101 1 865 . 1 1 74 74 LYS CD C 13 30.232 0.300 . 1 . . . . 74 LYS CD . 11101 1 866 . 1 1 74 74 LYS CE C 13 42.761 0.300 . 1 . . . . 74 LYS CE . 11101 1 867 . 1 1 74 74 LYS CG C 13 23.845 0.300 . 1 . . . . 74 LYS CG . 11101 1 868 . 1 1 74 74 LYS N N 15 122.827 0.300 . 1 . . . . 74 LYS N . 11101 1 869 . 1 1 75 75 ILE H H 1 8.883 0.030 . 1 . . . . 75 ILE H . 11101 1 870 . 1 1 75 75 ILE HA H 1 4.408 0.030 . 1 . . . . 75 ILE HA . 11101 1 871 . 1 1 75 75 ILE HB H 1 1.013 0.030 . 1 . . . . 75 ILE HB . 11101 1 872 . 1 1 75 75 ILE HD11 H 1 0.158 0.030 . 1 . . . . 75 ILE HD1 . 11101 1 873 . 1 1 75 75 ILE HD12 H 1 0.158 0.030 . 1 . . . . 75 ILE HD1 . 11101 1 874 . 1 1 75 75 ILE HD13 H 1 0.158 0.030 . 1 . . . . 75 ILE HD1 . 11101 1 875 . 1 1 75 75 ILE HG12 H 1 1.166 0.030 . 2 . . . . 75 ILE HG12 . 11101 1 876 . 1 1 75 75 ILE HG13 H 1 0.736 0.030 . 2 . . . . 75 ILE HG13 . 11101 1 877 . 1 1 75 75 ILE HG21 H 1 0.642 0.030 . 1 . . . . 75 ILE HG2 . 11101 1 878 . 1 1 75 75 ILE HG22 H 1 0.642 0.030 . 1 . . . . 75 ILE HG2 . 11101 1 879 . 1 1 75 75 ILE HG23 H 1 0.642 0.030 . 1 . . . . 75 ILE HG2 . 11101 1 880 . 1 1 75 75 ILE C C 13 174.014 0.300 . 1 . . . . 75 ILE C . 11101 1 881 . 1 1 75 75 ILE CA C 13 60.412 0.300 . 1 . . . . 75 ILE CA . 11101 1 882 . 1 1 75 75 ILE CB C 13 43.009 0.300 . 1 . . . . 75 ILE CB . 11101 1 883 . 1 1 75 75 ILE CD1 C 13 16.168 0.300 . 1 . . . . 75 ILE CD1 . 11101 1 884 . 1 1 75 75 ILE CG1 C 13 28.806 0.300 . 1 . . . . 75 ILE CG1 . 11101 1 885 . 1 1 75 75 ILE CG2 C 13 19.862 0.300 . 1 . . . . 75 ILE CG2 . 11101 1 886 . 1 1 75 75 ILE N N 15 120.098 0.300 . 1 . . . . 75 ILE N . 11101 1 887 . 1 1 76 76 ASP H H 1 8.999 0.030 . 1 . . . . 76 ASP H . 11101 1 888 . 1 1 76 76 ASP HA H 1 3.419 0.030 . 1 . . . . 76 ASP HA . 11101 1 889 . 1 1 76 76 ASP HB2 H 1 2.775 0.030 . 2 . . . . 76 ASP HB2 . 11101 1 890 . 1 1 76 76 ASP HB3 H 1 2.262 0.030 . 2 . . . . 76 ASP HB3 . 11101 1 891 . 1 1 76 76 ASP C C 13 176.033 0.300 . 1 . . . . 76 ASP C . 11101 1 892 . 1 1 76 76 ASP CA C 13 51.922 0.300 . 1 . . . . 76 ASP CA . 11101 1 893 . 1 1 76 76 ASP CB C 13 38.640 0.300 . 1 . . . . 76 ASP CB . 11101 1 894 . 1 1 76 76 ASP N N 15 127.040 0.300 . 1 . . . . 76 ASP N . 11101 1 895 . 1 1 77 77 ALA H H 1 8.750 0.030 . 1 . . . . 77 ALA H . 11101 1 896 . 1 1 77 77 ALA HA H 1 4.025 0.030 . 1 . . . . 77 ALA HA . 11101 1 897 . 1 1 77 77 ALA HB1 H 1 1.565 0.030 . 1 . . . . 77 ALA HB . 11101 1 898 . 1 1 77 77 ALA HB2 H 1 1.565 0.030 . 1 . . . . 77 ALA HB . 11101 1 899 . 1 1 77 77 ALA HB3 H 1 1.565 0.030 . 1 . . . . 77 ALA HB . 11101 1 900 . 1 1 77 77 ALA C C 13 176.902 0.300 . 1 . . . . 77 ALA C . 11101 1 901 . 1 1 77 77 ALA CA C 13 53.505 0.300 . 1 . . . . 77 ALA CA . 11101 1 902 . 1 1 77 77 ALA CB C 13 20.338 0.300 . 1 . . . . 77 ALA CB . 11101 1 903 . 1 1 77 77 ALA N N 15 130.302 0.300 . 1 . . . . 77 ALA N . 11101 1 904 . 1 1 78 78 THR H H 1 8.517 0.030 . 1 . . . . 78 THR H . 11101 1 905 . 1 1 78 78 THR HA H 1 4.277 0.030 . 1 . . . . 78 THR HA . 11101 1 906 . 1 1 78 78 THR HB H 1 4.380 0.030 . 1 . . . . 78 THR HB . 11101 1 907 . 1 1 78 78 THR HG21 H 1 1.155 0.030 . 1 . . . . 78 THR HG2 . 11101 1 908 . 1 1 78 78 THR HG22 H 1 1.155 0.030 . 1 . . . . 78 THR HG2 . 11101 1 909 . 1 1 78 78 THR HG23 H 1 1.155 0.030 . 1 . . . . 78 THR HG2 . 11101 1 910 . 1 1 78 78 THR C C 13 175.046 0.300 . 1 . . . . 78 THR C . 11101 1 911 . 1 1 78 78 THR CA C 13 63.056 0.300 . 1 . . . . 78 THR CA . 11101 1 912 . 1 1 78 78 THR CB C 13 68.662 0.300 . 1 . . . . 78 THR CB . 11101 1 913 . 1 1 78 78 THR CG2 C 13 22.671 0.300 . 1 . . . . 78 THR CG2 . 11101 1 914 . 1 1 78 78 THR N N 15 107.715 0.300 . 1 . . . . 78 THR N . 11101 1 915 . 1 1 79 79 SER H H 1 7.072 0.030 . 1 . . . . 79 SER H . 11101 1 916 . 1 1 79 79 SER HA H 1 4.777 0.030 . 1 . . . . 79 SER HA . 11101 1 917 . 1 1 79 79 SER HB2 H 1 3.876 0.030 . 2 . . . . 79 SER HB2 . 11101 1 918 . 1 1 79 79 SER HB3 H 1 3.743 0.030 . 2 . . . . 79 SER HB3 . 11101 1 919 . 1 1 79 79 SER C C 13 174.211 0.300 . 1 . . . . 79 SER C . 11101 1 920 . 1 1 79 79 SER CA C 13 57.824 0.300 . 1 . . . . 79 SER CA . 11101 1 921 . 1 1 79 79 SER CB C 13 64.631 0.300 . 1 . . . . 79 SER CB . 11101 1 922 . 1 1 79 79 SER N N 15 114.953 0.300 . 1 . . . . 79 SER N . 11101 1 923 . 1 1 80 80 ALA H H 1 8.006 0.030 . 1 . . . . 80 ALA H . 11101 1 924 . 1 1 80 80 ALA HA H 1 4.901 0.030 . 1 . . . . 80 ALA HA . 11101 1 925 . 1 1 80 80 ALA HB1 H 1 1.325 0.030 . 1 . . . . 80 ALA HB . 11101 1 926 . 1 1 80 80 ALA HB2 H 1 1.325 0.030 . 1 . . . . 80 ALA HB . 11101 1 927 . 1 1 80 80 ALA HB3 H 1 1.325 0.030 . 1 . . . . 80 ALA HB . 11101 1 928 . 1 1 80 80 ALA C C 13 175.739 0.300 . 1 . . . . 80 ALA C . 11101 1 929 . 1 1 80 80 ALA CA C 13 50.904 0.300 . 1 . . . . 80 ALA CA . 11101 1 930 . 1 1 80 80 ALA CB C 13 17.278 0.300 . 1 . . . . 80 ALA CB . 11101 1 931 . 1 1 80 80 ALA N N 15 129.312 0.300 . 1 . . . . 80 ALA N . 11101 1 932 . 1 1 81 81 SER H H 1 7.635 0.030 . 1 . . . . 81 SER H . 11101 1 933 . 1 1 81 81 SER HA H 1 4.119 0.030 . 1 . . . . 81 SER HA . 11101 1 934 . 1 1 81 81 SER HB2 H 1 3.867 0.030 . 1 . . . . 81 SER HB2 . 11101 1 935 . 1 1 81 81 SER HB3 H 1 3.867 0.030 . 1 . . . . 81 SER HB3 . 11101 1 936 . 1 1 81 81 SER C C 13 178.047 0.300 . 1 . . . . 81 SER C . 11101 1 937 . 1 1 81 81 SER CA C 13 61.329 0.300 . 1 . . . . 81 SER CA . 11101 1 938 . 1 1 81 81 SER CB C 13 63.008 0.300 . 1 . . . . 81 SER CB . 11101 1 939 . 1 1 81 81 SER N N 15 115.880 0.300 . 1 . . . . 81 SER N . 11101 1 940 . 1 1 82 82 MET H H 1 10.417 0.030 . 1 . . . . 82 MET H . 11101 1 941 . 1 1 82 82 MET HA H 1 4.219 0.030 . 1 . . . . 82 MET HA . 11101 1 942 . 1 1 82 82 MET HB2 H 1 2.091 0.030 . 2 . . . . 82 MET HB2 . 11101 1 943 . 1 1 82 82 MET HB3 H 1 2.027 0.030 . 2 . . . . 82 MET HB3 . 11101 1 944 . 1 1 82 82 MET HE1 H 1 2.089 0.030 . 1 . . . . 82 MET HE . 11101 1 945 . 1 1 82 82 MET HE2 H 1 2.089 0.030 . 1 . . . . 82 MET HE . 11101 1 946 . 1 1 82 82 MET HE3 H 1 2.089 0.030 . 1 . . . . 82 MET HE . 11101 1 947 . 1 1 82 82 MET HG2 H 1 2.693 0.030 . 2 . . . . 82 MET HG2 . 11101 1 948 . 1 1 82 82 MET HG3 H 1 2.466 0.030 . 2 . . . . 82 MET HG3 . 11101 1 949 . 1 1 82 82 MET C C 13 180.212 0.300 . 1 . . . . 82 MET C . 11101 1 950 . 1 1 82 82 MET CA C 13 59.349 0.300 . 1 . . . . 82 MET CA . 11101 1 951 . 1 1 82 82 MET CB C 13 30.188 0.300 . 1 . . . . 82 MET CB . 11101 1 952 . 1 1 82 82 MET CE C 13 16.966 0.300 . 1 . . . . 82 MET CE . 11101 1 953 . 1 1 82 82 MET CG C 13 32.422 0.300 . 1 . . . . 82 MET CG . 11101 1 954 . 1 1 82 82 MET N N 15 126.894 0.300 . 1 . . . . 82 MET N . 11101 1 955 . 1 1 83 83 LEU H H 1 8.883 0.030 . 1 . . . . 83 LEU H . 11101 1 956 . 1 1 83 83 LEU HA H 1 3.958 0.030 . 1 . . . . 83 LEU HA . 11101 1 957 . 1 1 83 83 LEU HB2 H 1 2.007 0.030 . 2 . . . . 83 LEU HB2 . 11101 1 958 . 1 1 83 83 LEU HB3 H 1 1.249 0.030 . 2 . . . . 83 LEU HB3 . 11101 1 959 . 1 1 83 83 LEU HD11 H 1 0.606 0.030 . 1 . . . . 83 LEU HD1 . 11101 1 960 . 1 1 83 83 LEU HD12 H 1 0.606 0.030 . 1 . . . . 83 LEU HD1 . 11101 1 961 . 1 1 83 83 LEU HD13 H 1 0.606 0.030 . 1 . . . . 83 LEU HD1 . 11101 1 962 . 1 1 83 83 LEU HD21 H 1 0.168 0.030 . 1 . . . . 83 LEU HD2 . 11101 1 963 . 1 1 83 83 LEU HD22 H 1 0.168 0.030 . 1 . . . . 83 LEU HD2 . 11101 1 964 . 1 1 83 83 LEU HD23 H 1 0.168 0.030 . 1 . . . . 83 LEU HD2 . 11101 1 965 . 1 1 83 83 LEU HG H 1 2.205 0.030 . 1 . . . . 83 LEU HG . 11101 1 966 . 1 1 83 83 LEU C C 13 179.127 0.300 . 1 . . . . 83 LEU C . 11101 1 967 . 1 1 83 83 LEU CA C 13 57.881 0.300 . 1 . . . . 83 LEU CA . 11101 1 968 . 1 1 83 83 LEU CB C 13 42.433 0.300 . 1 . . . . 83 LEU CB . 11101 1 969 . 1 1 83 83 LEU CD1 C 13 24.969 0.300 . 2 . . . . 83 LEU CD1 . 11101 1 970 . 1 1 83 83 LEU CD2 C 13 21.785 0.300 . 2 . . . . 83 LEU CD2 . 11101 1 971 . 1 1 83 83 LEU CG C 13 25.915 0.300 . 1 . . . . 83 LEU CG . 11101 1 972 . 1 1 83 83 LEU N N 15 123.566 0.300 . 1 . . . . 83 LEU N . 11101 1 973 . 1 1 84 84 ALA H H 1 8.722 0.030 . 1 . . . . 84 ALA H . 11101 1 974 . 1 1 84 84 ALA HA H 1 3.761 0.030 . 1 . . . . 84 ALA HA . 11101 1 975 . 1 1 84 84 ALA HB1 H 1 1.574 0.030 . 1 . . . . 84 ALA HB . 11101 1 976 . 1 1 84 84 ALA HB2 H 1 1.574 0.030 . 1 . . . . 84 ALA HB . 11101 1 977 . 1 1 84 84 ALA HB3 H 1 1.574 0.030 . 1 . . . . 84 ALA HB . 11101 1 978 . 1 1 84 84 ALA C C 13 179.395 0.300 . 1 . . . . 84 ALA C . 11101 1 979 . 1 1 84 84 ALA CA C 13 55.435 0.300 . 1 . . . . 84 ALA CA . 11101 1 980 . 1 1 84 84 ALA CB C 13 18.215 0.300 . 1 . . . . 84 ALA CB . 11101 1 981 . 1 1 84 84 ALA N N 15 119.916 0.300 . 1 . . . . 84 ALA N . 11101 1 982 . 1 1 85 85 SER H H 1 7.566 0.030 . 1 . . . . 85 SER H . 11101 1 983 . 1 1 85 85 SER HA H 1 4.365 0.030 . 1 . . . . 85 SER HA . 11101 1 984 . 1 1 85 85 SER HB2 H 1 3.974 0.030 . 1 . . . . 85 SER HB2 . 11101 1 985 . 1 1 85 85 SER HB3 H 1 3.974 0.030 . 1 . . . . 85 SER HB3 . 11101 1 986 . 1 1 85 85 SER C C 13 177.704 0.300 . 1 . . . . 85 SER C . 11101 1 987 . 1 1 85 85 SER CA C 13 60.783 0.300 . 1 . . . . 85 SER CA . 11101 1 988 . 1 1 85 85 SER CB C 13 63.049 0.300 . 1 . . . . 85 SER CB . 11101 1 989 . 1 1 85 85 SER N N 15 110.741 0.300 . 1 . . . . 85 SER N . 11101 1 990 . 1 1 86 86 LYS H H 1 8.481 0.030 . 1 . . . . 86 LYS H . 11101 1 991 . 1 1 86 86 LYS HA H 1 3.802 0.030 . 1 . . . . 86 LYS HA . 11101 1 992 . 1 1 86 86 LYS HB2 H 1 1.744 0.030 . 2 . . . . 86 LYS HB2 . 11101 1 993 . 1 1 86 86 LYS HB3 H 1 1.534 0.030 . 2 . . . . 86 LYS HB3 . 11101 1 994 . 1 1 86 86 LYS HD2 H 1 1.390 0.030 . 2 . . . . 86 LYS HD2 . 11101 1 995 . 1 1 86 86 LYS HD3 H 1 1.251 0.030 . 2 . . . . 86 LYS HD3 . 11101 1 996 . 1 1 86 86 LYS HE2 H 1 2.772 0.030 . 2 . . . . 86 LYS HE2 . 11101 1 997 . 1 1 86 86 LYS HE3 H 1 2.680 0.030 . 2 . . . . 86 LYS HE3 . 11101 1 998 . 1 1 86 86 LYS HG2 H 1 0.416 0.030 . 2 . . . . 86 LYS HG2 . 11101 1 999 . 1 1 86 86 LYS HG3 H 1 1.063 0.030 . 2 . . . . 86 LYS HG3 . 11101 1 1000 . 1 1 86 86 LYS C C 13 177.766 0.300 . 1 . . . . 86 LYS C . 11101 1 1001 . 1 1 86 86 LYS CA C 13 59.340 0.300 . 1 . . . . 86 LYS CA . 11101 1 1002 . 1 1 86 86 LYS CB C 13 32.838 0.300 . 1 . . . . 86 LYS CB . 11101 1 1003 . 1 1 86 86 LYS CD C 13 29.584 0.300 . 1 . . . . 86 LYS CD . 11101 1 1004 . 1 1 86 86 LYS CE C 13 41.757 0.300 . 1 . . . . 86 LYS CE . 11101 1 1005 . 1 1 86 86 LYS CG C 13 24.527 0.300 . 1 . . . . 86 LYS CG . 11101 1 1006 . 1 1 86 86 LYS N N 15 124.400 0.300 . 1 . . . . 86 LYS N . 11101 1 1007 . 1 1 87 87 PHE H H 1 7.648 0.030 . 1 . . . . 87 PHE H . 11101 1 1008 . 1 1 87 87 PHE HA H 1 4.360 0.030 . 1 . . . . 87 PHE HA . 11101 1 1009 . 1 1 87 87 PHE HB2 H 1 2.805 0.030 . 2 . . . . 87 PHE HB2 . 11101 1 1010 . 1 1 87 87 PHE HB3 H 1 2.133 0.030 . 2 . . . . 87 PHE HB3 . 11101 1 1011 . 1 1 87 87 PHE HD1 H 1 7.379 0.030 . 1 . . . . 87 PHE HD1 . 11101 1 1012 . 1 1 87 87 PHE HD2 H 1 7.379 0.030 . 1 . . . . 87 PHE HD2 . 11101 1 1013 . 1 1 87 87 PHE HE1 H 1 6.981 0.030 . 1 . . . . 87 PHE HE1 . 11101 1 1014 . 1 1 87 87 PHE HE2 H 1 6.981 0.030 . 1 . . . . 87 PHE HE2 . 11101 1 1015 . 1 1 87 87 PHE HZ H 1 7.364 0.030 . 1 . . . . 87 PHE HZ . 11101 1 1016 . 1 1 87 87 PHE C C 13 173.003 0.300 . 1 . . . . 87 PHE C . 11101 1 1017 . 1 1 87 87 PHE CA C 13 58.185 0.300 . 1 . . . . 87 PHE CA . 11101 1 1018 . 1 1 87 87 PHE CB C 13 38.604 0.300 . 1 . . . . 87 PHE CB . 11101 1 1019 . 1 1 87 87 PHE CD1 C 13 131.749 0.300 . 1 . . . . 87 PHE CD1 . 11101 1 1020 . 1 1 87 87 PHE CD2 C 13 131.749 0.300 . 1 . . . . 87 PHE CD2 . 11101 1 1021 . 1 1 87 87 PHE CE1 C 13 130.694 0.300 . 1 . . . . 87 PHE CE1 . 11101 1 1022 . 1 1 87 87 PHE CE2 C 13 130.694 0.300 . 1 . . . . 87 PHE CE2 . 11101 1 1023 . 1 1 87 87 PHE CZ C 13 129.472 0.300 . 1 . . . . 87 PHE CZ . 11101 1 1024 . 1 1 87 87 PHE N N 15 113.071 0.300 . 1 . . . . 87 PHE N . 11101 1 1025 . 1 1 88 88 ASP H H 1 7.592 0.030 . 1 . . . . 88 ASP H . 11101 1 1026 . 1 1 88 88 ASP HA H 1 4.198 0.030 . 1 . . . . 88 ASP HA . 11101 1 1027 . 1 1 88 88 ASP HB2 H 1 2.936 0.030 . 2 . . . . 88 ASP HB2 . 11101 1 1028 . 1 1 88 88 ASP HB3 H 1 2.323 0.030 . 2 . . . . 88 ASP HB3 . 11101 1 1029 . 1 1 88 88 ASP C C 13 175.029 0.300 . 1 . . . . 88 ASP C . 11101 1 1030 . 1 1 88 88 ASP CA C 13 54.776 0.300 . 1 . . . . 88 ASP CA . 11101 1 1031 . 1 1 88 88 ASP CB C 13 39.413 0.300 . 1 . . . . 88 ASP CB . 11101 1 1032 . 1 1 88 88 ASP N N 15 119.353 0.300 . 1 . . . . 88 ASP N . 11101 1 1033 . 1 1 89 89 VAL H H 1 8.114 0.030 . 1 . . . . 89 VAL H . 11101 1 1034 . 1 1 89 89 VAL HA H 1 3.671 0.030 . 1 . . . . 89 VAL HA . 11101 1 1035 . 1 1 89 89 VAL HB H 1 1.727 0.030 . 1 . . . . 89 VAL HB . 11101 1 1036 . 1 1 89 89 VAL HG11 H 1 0.692 0.030 . 1 . . . . 89 VAL HG1 . 11101 1 1037 . 1 1 89 89 VAL HG12 H 1 0.692 0.030 . 1 . . . . 89 VAL HG1 . 11101 1 1038 . 1 1 89 89 VAL HG13 H 1 0.692 0.030 . 1 . . . . 89 VAL HG1 . 11101 1 1039 . 1 1 89 89 VAL HG21 H 1 0.027 0.030 . 1 . . . . 89 VAL HG2 . 11101 1 1040 . 1 1 89 89 VAL HG22 H 1 0.027 0.030 . 1 . . . . 89 VAL HG2 . 11101 1 1041 . 1 1 89 89 VAL HG23 H 1 0.027 0.030 . 1 . . . . 89 VAL HG2 . 11101 1 1042 . 1 1 89 89 VAL C C 13 176.444 0.300 . 1 . . . . 89 VAL C . 11101 1 1043 . 1 1 89 89 VAL CA C 13 63.750 0.300 . 1 . . . . 89 VAL CA . 11101 1 1044 . 1 1 89 89 VAL CB C 13 31.525 0.300 . 1 . . . . 89 VAL CB . 11101 1 1045 . 1 1 89 89 VAL CG1 C 13 21.879 0.300 . 2 . . . . 89 VAL CG1 . 11101 1 1046 . 1 1 89 89 VAL CG2 C 13 21.507 0.300 . 2 . . . . 89 VAL CG2 . 11101 1 1047 . 1 1 89 89 VAL N N 15 119.263 0.300 . 1 . . . . 89 VAL N . 11101 1 1048 . 1 1 90 90 SER H H 1 8.970 0.030 . 1 . . . . 90 SER H . 11101 1 1049 . 1 1 90 90 SER HA H 1 4.462 0.030 . 1 . . . . 90 SER HA . 11101 1 1050 . 1 1 90 90 SER HB2 H 1 3.817 0.030 . 2 . . . . 90 SER HB2 . 11101 1 1051 . 1 1 90 90 SER HB3 H 1 3.628 0.030 . 2 . . . . 90 SER HB3 . 11101 1 1052 . 1 1 90 90 SER C C 13 173.067 0.300 . 1 . . . . 90 SER C . 11101 1 1053 . 1 1 90 90 SER CA C 13 57.535 0.300 . 1 . . . . 90 SER CA . 11101 1 1054 . 1 1 90 90 SER CB C 13 64.436 0.300 . 1 . . . . 90 SER CB . 11101 1 1055 . 1 1 90 90 SER N N 15 122.958 0.300 . 1 . . . . 90 SER N . 11101 1 1056 . 1 1 91 91 GLY H H 1 7.206 0.030 . 1 . . . . 91 GLY H . 11101 1 1057 . 1 1 91 91 GLY HA2 H 1 3.599 0.030 . 2 . . . . 91 GLY HA2 . 11101 1 1058 . 1 1 91 91 GLY HA3 H 1 3.457 0.030 . 2 . . . . 91 GLY HA3 . 11101 1 1059 . 1 1 91 91 GLY C C 13 171.559 0.300 . 1 . . . . 91 GLY C . 11101 1 1060 . 1 1 91 91 GLY CA C 13 43.926 0.300 . 1 . . . . 91 GLY CA . 11101 1 1061 . 1 1 91 91 GLY N N 15 110.013 0.300 . 1 . . . . 91 GLY N . 11101 1 1062 . 1 1 92 92 TYR H H 1 8.232 0.030 . 1 . . . . 92 TYR H . 11101 1 1063 . 1 1 92 92 TYR HA H 1 5.061 0.030 . 1 . . . . 92 TYR HA . 11101 1 1064 . 1 1 92 92 TYR HB2 H 1 2.900 0.030 . 2 . . . . 92 TYR HB2 . 11101 1 1065 . 1 1 92 92 TYR HB3 H 1 2.822 0.030 . 2 . . . . 92 TYR HB3 . 11101 1 1066 . 1 1 92 92 TYR HD1 H 1 6.719 0.030 . 1 . . . . 92 TYR HD1 . 11101 1 1067 . 1 1 92 92 TYR HD2 H 1 6.719 0.030 . 1 . . . . 92 TYR HD2 . 11101 1 1068 . 1 1 92 92 TYR HE1 H 1 6.552 0.030 . 1 . . . . 92 TYR HE1 . 11101 1 1069 . 1 1 92 92 TYR HE2 H 1 6.552 0.030 . 1 . . . . 92 TYR HE2 . 11101 1 1070 . 1 1 92 92 TYR C C 13 173.304 0.300 . 1 . . . . 92 TYR C . 11101 1 1071 . 1 1 92 92 TYR CA C 13 53.718 0.300 . 1 . . . . 92 TYR CA . 11101 1 1072 . 1 1 92 92 TYR CB C 13 41.535 0.300 . 1 . . . . 92 TYR CB . 11101 1 1073 . 1 1 92 92 TYR CD1 C 13 133.319 0.300 . 1 . . . . 92 TYR CD1 . 11101 1 1074 . 1 1 92 92 TYR CD2 C 13 133.319 0.300 . 1 . . . . 92 TYR CD2 . 11101 1 1075 . 1 1 92 92 TYR CE1 C 13 117.444 0.300 . 1 . . . . 92 TYR CE1 . 11101 1 1076 . 1 1 92 92 TYR CE2 C 13 117.444 0.300 . 1 . . . . 92 TYR CE2 . 11101 1 1077 . 1 1 92 92 TYR N N 15 117.339 0.300 . 1 . . . . 92 TYR N . 11101 1 1078 . 1 1 93 93 PRO HA H 1 5.234 0.030 . 1 . . . . 93 PRO HA . 11101 1 1079 . 1 1 93 93 PRO HB2 H 1 2.805 0.030 . 2 . . . . 93 PRO HB2 . 11101 1 1080 . 1 1 93 93 PRO HB3 H 1 1.653 0.030 . 2 . . . . 93 PRO HB3 . 11101 1 1081 . 1 1 93 93 PRO HD2 H 1 3.529 0.030 . 2 . . . . 93 PRO HD2 . 11101 1 1082 . 1 1 93 93 PRO HD3 H 1 3.411 0.030 . 2 . . . . 93 PRO HD3 . 11101 1 1083 . 1 1 93 93 PRO HG2 H 1 1.703 0.030 . 2 . . . . 93 PRO HG2 . 11101 1 1084 . 1 1 93 93 PRO HG3 H 1 1.587 0.030 . 2 . . . . 93 PRO HG3 . 11101 1 1085 . 1 1 93 93 PRO C C 13 177.415 0.300 . 1 . . . . 93 PRO C . 11101 1 1086 . 1 1 93 93 PRO CA C 13 62.939 0.300 . 1 . . . . 93 PRO CA . 11101 1 1087 . 1 1 93 93 PRO CB C 13 34.408 0.300 . 1 . . . . 93 PRO CB . 11101 1 1088 . 1 1 93 93 PRO CD C 13 49.626 0.300 . 1 . . . . 93 PRO CD . 11101 1 1089 . 1 1 93 93 PRO CG C 13 24.595 0.300 . 1 . . . . 93 PRO CG . 11101 1 1090 . 1 1 94 94 THR H H 1 8.859 0.030 . 1 . . . . 94 THR H . 11101 1 1091 . 1 1 94 94 THR HA H 1 4.637 0.030 . 1 . . . . 94 THR HA . 11101 1 1092 . 1 1 94 94 THR HB H 1 4.071 0.030 . 1 . . . . 94 THR HB . 11101 1 1093 . 1 1 94 94 THR HG21 H 1 1.282 0.030 . 1 . . . . 94 THR HG2 . 11101 1 1094 . 1 1 94 94 THR HG22 H 1 1.282 0.030 . 1 . . . . 94 THR HG2 . 11101 1 1095 . 1 1 94 94 THR HG23 H 1 1.282 0.030 . 1 . . . . 94 THR HG2 . 11101 1 1096 . 1 1 94 94 THR C C 13 172.548 0.300 . 1 . . . . 94 THR C . 11101 1 1097 . 1 1 94 94 THR CA C 13 63.434 0.300 . 1 . . . . 94 THR CA . 11101 1 1098 . 1 1 94 94 THR CB C 13 72.125 0.300 . 1 . . . . 94 THR CB . 11101 1 1099 . 1 1 94 94 THR CG2 C 13 21.914 0.300 . 1 . . . . 94 THR CG2 . 11101 1 1100 . 1 1 94 94 THR N N 15 117.958 0.300 . 1 . . . . 94 THR N . 11101 1 1101 . 1 1 95 95 ILE H H 1 9.643 0.030 . 1 . . . . 95 ILE H . 11101 1 1102 . 1 1 95 95 ILE HA H 1 5.360 0.030 . 1 . . . . 95 ILE HA . 11101 1 1103 . 1 1 95 95 ILE HB H 1 2.025 0.030 . 1 . . . . 95 ILE HB . 11101 1 1104 . 1 1 95 95 ILE HD11 H 1 0.726 0.030 . 1 . . . . 95 ILE HD1 . 11101 1 1105 . 1 1 95 95 ILE HD12 H 1 0.726 0.030 . 1 . . . . 95 ILE HD1 . 11101 1 1106 . 1 1 95 95 ILE HD13 H 1 0.726 0.030 . 1 . . . . 95 ILE HD1 . 11101 1 1107 . 1 1 95 95 ILE HG12 H 1 1.397 0.030 . 2 . . . . 95 ILE HG12 . 11101 1 1108 . 1 1 95 95 ILE HG13 H 1 1.119 0.030 . 2 . . . . 95 ILE HG13 . 11101 1 1109 . 1 1 95 95 ILE HG21 H 1 0.803 0.030 . 1 . . . . 95 ILE HG2 . 11101 1 1110 . 1 1 95 95 ILE HG22 H 1 0.803 0.030 . 1 . . . . 95 ILE HG2 . 11101 1 1111 . 1 1 95 95 ILE HG23 H 1 0.803 0.030 . 1 . . . . 95 ILE HG2 . 11101 1 1112 . 1 1 95 95 ILE C C 13 175.174 0.300 . 1 . . . . 95 ILE C . 11101 1 1113 . 1 1 95 95 ILE CA C 13 59.061 0.300 . 1 . . . . 95 ILE CA . 11101 1 1114 . 1 1 95 95 ILE CB C 13 39.310 0.300 . 1 . . . . 95 ILE CB . 11101 1 1115 . 1 1 95 95 ILE CD1 C 13 12.904 0.300 . 1 . . . . 95 ILE CD1 . 11101 1 1116 . 1 1 95 95 ILE CG1 C 13 27.993 0.300 . 1 . . . . 95 ILE CG1 . 11101 1 1117 . 1 1 95 95 ILE CG2 C 13 17.528 0.300 . 1 . . . . 95 ILE CG2 . 11101 1 1118 . 1 1 95 95 ILE N N 15 131.049 0.300 . 1 . . . . 95 ILE N . 11101 1 1119 . 1 1 96 96 LYS H H 1 9.232 0.030 . 1 . . . . 96 LYS H . 11101 1 1120 . 1 1 96 96 LYS HA H 1 5.102 0.030 . 1 . . . . 96 LYS HA . 11101 1 1121 . 1 1 96 96 LYS HB2 H 1 1.690 0.030 . 2 . . . . 96 LYS HB2 . 11101 1 1122 . 1 1 96 96 LYS HB3 H 1 1.559 0.030 . 2 . . . . 96 LYS HB3 . 11101 1 1123 . 1 1 96 96 LYS HD2 H 1 2.023 0.030 . 2 . . . . 96 LYS HD2 . 11101 1 1124 . 1 1 96 96 LYS HD3 H 1 1.513 0.030 . 2 . . . . 96 LYS HD3 . 11101 1 1125 . 1 1 96 96 LYS HE2 H 1 3.173 0.030 . 2 . . . . 96 LYS HE2 . 11101 1 1126 . 1 1 96 96 LYS HE3 H 1 2.603 0.030 . 2 . . . . 96 LYS HE3 . 11101 1 1127 . 1 1 96 96 LYS HG2 H 1 1.314 0.030 . 2 . . . . 96 LYS HG2 . 11101 1 1128 . 1 1 96 96 LYS HG3 H 1 1.584 0.030 . 2 . . . . 96 LYS HG3 . 11101 1 1129 . 1 1 96 96 LYS C C 13 173.602 0.300 . 1 . . . . 96 LYS C . 11101 1 1130 . 1 1 96 96 LYS CA C 13 53.687 0.300 . 1 . . . . 96 LYS CA . 11101 1 1131 . 1 1 96 96 LYS CB C 13 37.724 0.300 . 1 . . . . 96 LYS CB . 11101 1 1132 . 1 1 96 96 LYS CD C 13 29.132 0.300 . 1 . . . . 96 LYS CD . 11101 1 1133 . 1 1 96 96 LYS CE C 13 42.409 0.300 . 1 . . . . 96 LYS CE . 11101 1 1134 . 1 1 96 96 LYS CG C 13 26.108 0.300 . 1 . . . . 96 LYS CG . 11101 1 1135 . 1 1 96 96 LYS N N 15 124.445 0.300 . 1 . . . . 96 LYS N . 11101 1 1136 . 1 1 97 97 ILE H H 1 9.210 0.030 . 1 . . . . 97 ILE H . 11101 1 1137 . 1 1 97 97 ILE HA H 1 4.622 0.030 . 1 . . . . 97 ILE HA . 11101 1 1138 . 1 1 97 97 ILE HB H 1 1.600 0.030 . 1 . . . . 97 ILE HB . 11101 1 1139 . 1 1 97 97 ILE HD11 H 1 0.699 0.030 . 1 . . . . 97 ILE HD1 . 11101 1 1140 . 1 1 97 97 ILE HD12 H 1 0.699 0.030 . 1 . . . . 97 ILE HD1 . 11101 1 1141 . 1 1 97 97 ILE HD13 H 1 0.699 0.030 . 1 . . . . 97 ILE HD1 . 11101 1 1142 . 1 1 97 97 ILE HG12 H 1 1.508 0.030 . 2 . . . . 97 ILE HG12 . 11101 1 1143 . 1 1 97 97 ILE HG13 H 1 0.763 0.030 . 2 . . . . 97 ILE HG13 . 11101 1 1144 . 1 1 97 97 ILE HG21 H 1 0.657 0.030 . 1 . . . . 97 ILE HG2 . 11101 1 1145 . 1 1 97 97 ILE HG22 H 1 0.657 0.030 . 1 . . . . 97 ILE HG2 . 11101 1 1146 . 1 1 97 97 ILE HG23 H 1 0.657 0.030 . 1 . . . . 97 ILE HG2 . 11101 1 1147 . 1 1 97 97 ILE C C 13 173.935 0.300 . 1 . . . . 97 ILE C . 11101 1 1148 . 1 1 97 97 ILE CA C 13 60.312 0.300 . 1 . . . . 97 ILE CA . 11101 1 1149 . 1 1 97 97 ILE CB C 13 40.361 0.300 . 1 . . . . 97 ILE CB . 11101 1 1150 . 1 1 97 97 ILE CD1 C 13 14.719 0.300 . 1 . . . . 97 ILE CD1 . 11101 1 1151 . 1 1 97 97 ILE CG1 C 13 28.714 0.300 . 1 . . . . 97 ILE CG1 . 11101 1 1152 . 1 1 97 97 ILE CG2 C 13 19.371 0.300 . 1 . . . . 97 ILE CG2 . 11101 1 1153 . 1 1 97 97 ILE N N 15 121.473 0.300 . 1 . . . . 97 ILE N . 11101 1 1154 . 1 1 98 98 LEU H H 1 9.525 0.030 . 1 . . . . 98 LEU H . 11101 1 1155 . 1 1 98 98 LEU HA H 1 4.938 0.030 . 1 . . . . 98 LEU HA . 11101 1 1156 . 1 1 98 98 LEU HB2 H 1 1.914 0.030 . 2 . . . . 98 LEU HB2 . 11101 1 1157 . 1 1 98 98 LEU HB3 H 1 1.182 0.030 . 2 . . . . 98 LEU HB3 . 11101 1 1158 . 1 1 98 98 LEU HD11 H 1 0.897 0.030 . 1 . . . . 98 LEU HD1 . 11101 1 1159 . 1 1 98 98 LEU HD12 H 1 0.897 0.030 . 1 . . . . 98 LEU HD1 . 11101 1 1160 . 1 1 98 98 LEU HD13 H 1 0.897 0.030 . 1 . . . . 98 LEU HD1 . 11101 1 1161 . 1 1 98 98 LEU HD21 H 1 0.939 0.030 . 1 . . . . 98 LEU HD2 . 11101 1 1162 . 1 1 98 98 LEU HD22 H 1 0.939 0.030 . 1 . . . . 98 LEU HD2 . 11101 1 1163 . 1 1 98 98 LEU HD23 H 1 0.939 0.030 . 1 . . . . 98 LEU HD2 . 11101 1 1164 . 1 1 98 98 LEU HG H 1 1.292 0.030 . 1 . . . . 98 LEU HG . 11101 1 1165 . 1 1 98 98 LEU C C 13 175.338 0.300 . 1 . . . . 98 LEU C . 11101 1 1166 . 1 1 98 98 LEU CA C 13 53.554 0.300 . 1 . . . . 98 LEU CA . 11101 1 1167 . 1 1 98 98 LEU CB C 13 44.687 0.300 . 1 . . . . 98 LEU CB . 11101 1 1168 . 1 1 98 98 LEU CD1 C 13 24.114 0.300 . 2 . . . . 98 LEU CD1 . 11101 1 1169 . 1 1 98 98 LEU CD2 C 13 25.558 0.300 . 2 . . . . 98 LEU CD2 . 11101 1 1170 . 1 1 98 98 LEU CG C 13 27.441 0.300 . 1 . . . . 98 LEU CG . 11101 1 1171 . 1 1 98 98 LEU N N 15 129.482 0.300 . 1 . . . . 98 LEU N . 11101 1 1172 . 1 1 99 99 LYS H H 1 9.145 0.030 . 1 . . . . 99 LYS H . 11101 1 1173 . 1 1 99 99 LYS HA H 1 5.420 0.030 . 1 . . . . 99 LYS HA . 11101 1 1174 . 1 1 99 99 LYS HB2 H 1 2.030 0.030 . 2 . . . . 99 LYS HB2 . 11101 1 1175 . 1 1 99 99 LYS HB3 H 1 1.159 0.030 . 2 . . . . 99 LYS HB3 . 11101 1 1176 . 1 1 99 99 LYS HD2 H 1 1.880 0.030 . 2 . . . . 99 LYS HD2 . 11101 1 1177 . 1 1 99 99 LYS HD3 H 1 1.465 0.030 . 2 . . . . 99 LYS HD3 . 11101 1 1178 . 1 1 99 99 LYS HE2 H 1 3.224 0.030 . 2 . . . . 99 LYS HE2 . 11101 1 1179 . 1 1 99 99 LYS HE3 H 1 3.095 0.030 . 2 . . . . 99 LYS HE3 . 11101 1 1180 . 1 1 99 99 LYS HG2 H 1 1.558 0.030 . 2 . . . . 99 LYS HG2 . 11101 1 1181 . 1 1 99 99 LYS HG3 H 1 1.161 0.030 . 2 . . . . 99 LYS HG3 . 11101 1 1182 . 1 1 99 99 LYS C C 13 175.991 0.300 . 1 . . . . 99 LYS C . 11101 1 1183 . 1 1 99 99 LYS CA C 13 53.357 0.300 . 1 . . . . 99 LYS CA . 11101 1 1184 . 1 1 99 99 LYS CB C 13 34.075 0.300 . 1 . . . . 99 LYS CB . 11101 1 1185 . 1 1 99 99 LYS CD C 13 28.170 0.300 . 1 . . . . 99 LYS CD . 11101 1 1186 . 1 1 99 99 LYS CE C 13 43.775 0.300 . 1 . . . . 99 LYS CE . 11101 1 1187 . 1 1 99 99 LYS CG C 13 25.747 0.300 . 1 . . . . 99 LYS CG . 11101 1 1188 . 1 1 99 99 LYS N N 15 128.261 0.300 . 1 . . . . 99 LYS N . 11101 1 1189 . 1 1 100 100 LYS H H 1 10.086 0.030 . 1 . . . . 100 LYS H . 11101 1 1190 . 1 1 100 100 LYS HA H 1 4.019 0.030 . 1 . . . . 100 LYS HA . 11101 1 1191 . 1 1 100 100 LYS HB2 H 1 2.067 0.030 . 2 . . . . 100 LYS HB2 . 11101 1 1192 . 1 1 100 100 LYS HB3 H 1 1.895 0.030 . 2 . . . . 100 LYS HB3 . 11101 1 1193 . 1 1 100 100 LYS HD2 H 1 1.830 0.030 . 2 . . . . 100 LYS HD2 . 11101 1 1194 . 1 1 100 100 LYS HE2 H 1 3.085 0.030 . 1 . . . . 100 LYS HE2 . 11101 1 1195 . 1 1 100 100 LYS HE3 H 1 3.085 0.030 . 1 . . . . 100 LYS HE3 . 11101 1 1196 . 1 1 100 100 LYS HG2 H 1 1.503 0.030 . 1 . . . . 100 LYS HG2 . 11101 1 1197 . 1 1 100 100 LYS HG3 H 1 1.503 0.030 . 1 . . . . 100 LYS HG3 . 11101 1 1198 . 1 1 100 100 LYS C C 13 177.238 0.300 . 1 . . . . 100 LYS C . 11101 1 1199 . 1 1 100 100 LYS CA C 13 57.435 0.300 . 1 . . . . 100 LYS CA . 11101 1 1200 . 1 1 100 100 LYS CB C 13 30.406 0.300 . 1 . . . . 100 LYS CB . 11101 1 1201 . 1 1 100 100 LYS CD C 13 29.609 0.300 . 1 . . . . 100 LYS CD . 11101 1 1202 . 1 1 100 100 LYS CE C 13 42.196 0.300 . 1 . . . . 100 LYS CE . 11101 1 1203 . 1 1 100 100 LYS CG C 13 25.730 0.300 . 1 . . . . 100 LYS CG . 11101 1 1204 . 1 1 100 100 LYS N N 15 129.758 0.300 . 1 . . . . 100 LYS N . 11101 1 1205 . 1 1 101 101 GLY H H 1 8.705 0.030 . 1 . . . . 101 GLY H . 11101 1 1206 . 1 1 101 101 GLY HA2 H 1 4.237 0.030 . 2 . . . . 101 GLY HA2 . 11101 1 1207 . 1 1 101 101 GLY HA3 H 1 3.454 0.030 . 2 . . . . 101 GLY HA3 . 11101 1 1208 . 1 1 101 101 GLY C C 13 173.416 0.300 . 1 . . . . 101 GLY C . 11101 1 1209 . 1 1 101 101 GLY CA C 13 45.734 0.300 . 1 . . . . 101 GLY CA . 11101 1 1210 . 1 1 101 101 GLY N N 15 103.329 0.300 . 1 . . . . 101 GLY N . 11101 1 1211 . 1 1 102 102 GLN H H 1 8.076 0.030 . 1 . . . . 102 GLN H . 11101 1 1212 . 1 1 102 102 GLN HA H 1 4.713 0.030 . 1 . . . . 102 GLN HA . 11101 1 1213 . 1 1 102 102 GLN HB2 H 1 2.245 0.030 . 2 . . . . 102 GLN HB2 . 11101 1 1214 . 1 1 102 102 GLN HB3 H 1 2.151 0.030 . 2 . . . . 102 GLN HB3 . 11101 1 1215 . 1 1 102 102 GLN HE21 H 1 7.673 0.030 . 2 . . . . 102 GLN HE21 . 11101 1 1216 . 1 1 102 102 GLN HE22 H 1 6.932 0.030 . 2 . . . . 102 GLN HE22 . 11101 1 1217 . 1 1 102 102 GLN HG2 H 1 2.442 0.030 . 2 . . . . 102 GLN HG2 . 11101 1 1218 . 1 1 102 102 GLN HG3 H 1 2.364 0.030 . 2 . . . . 102 GLN HG3 . 11101 1 1219 . 1 1 102 102 GLN C C 13 174.898 0.300 . 1 . . . . 102 GLN C . 11101 1 1220 . 1 1 102 102 GLN CA C 13 54.084 0.300 . 1 . . . . 102 GLN CA . 11101 1 1221 . 1 1 102 102 GLN CB C 13 30.736 0.300 . 1 . . . . 102 GLN CB . 11101 1 1222 . 1 1 102 102 GLN CG C 13 33.747 0.300 . 1 . . . . 102 GLN CG . 11101 1 1223 . 1 1 102 102 GLN N N 15 120.741 0.300 . 1 . . . . 102 GLN N . 11101 1 1224 . 1 1 102 102 GLN NE2 N 15 112.411 0.300 . 1 . . . . 102 GLN NE2 . 11101 1 1225 . 1 1 103 103 ALA H H 1 9.038 0.030 . 1 . . . . 103 ALA H . 11101 1 1226 . 1 1 103 103 ALA HA H 1 4.705 0.030 . 1 . . . . 103 ALA HA . 11101 1 1227 . 1 1 103 103 ALA HB1 H 1 1.486 0.030 . 1 . . . . 103 ALA HB . 11101 1 1228 . 1 1 103 103 ALA HB2 H 1 1.486 0.030 . 1 . . . . 103 ALA HB . 11101 1 1229 . 1 1 103 103 ALA HB3 H 1 1.486 0.030 . 1 . . . . 103 ALA HB . 11101 1 1230 . 1 1 103 103 ALA C C 13 176.976 0.300 . 1 . . . . 103 ALA C . 11101 1 1231 . 1 1 103 103 ALA CA C 13 52.892 0.300 . 1 . . . . 103 ALA CA . 11101 1 1232 . 1 1 103 103 ALA CB C 13 20.106 0.300 . 1 . . . . 103 ALA CB . 11101 1 1233 . 1 1 103 103 ALA N N 15 126.776 0.300 . 1 . . . . 103 ALA N . 11101 1 1234 . 1 1 104 104 VAL H H 1 9.588 0.030 . 1 . . . . 104 VAL H . 11101 1 1235 . 1 1 104 104 VAL HA H 1 4.312 0.030 . 1 . . . . 104 VAL HA . 11101 1 1236 . 1 1 104 104 VAL HB H 1 2.275 0.030 . 1 . . . . 104 VAL HB . 11101 1 1237 . 1 1 104 104 VAL HG11 H 1 1.134 0.030 . 1 . . . . 104 VAL HG1 . 11101 1 1238 . 1 1 104 104 VAL HG12 H 1 1.134 0.030 . 1 . . . . 104 VAL HG1 . 11101 1 1239 . 1 1 104 104 VAL HG13 H 1 1.134 0.030 . 1 . . . . 104 VAL HG1 . 11101 1 1240 . 1 1 104 104 VAL HG21 H 1 1.094 0.030 . 1 . . . . 104 VAL HG2 . 11101 1 1241 . 1 1 104 104 VAL HG22 H 1 1.094 0.030 . 1 . . . . 104 VAL HG2 . 11101 1 1242 . 1 1 104 104 VAL HG23 H 1 1.094 0.030 . 1 . . . . 104 VAL HG2 . 11101 1 1243 . 1 1 104 104 VAL C C 13 175.680 0.300 . 1 . . . . 104 VAL C . 11101 1 1244 . 1 1 104 104 VAL CA C 13 61.646 0.300 . 1 . . . . 104 VAL CA . 11101 1 1245 . 1 1 104 104 VAL CB C 13 33.922 0.300 . 1 . . . . 104 VAL CB . 11101 1 1246 . 1 1 104 104 VAL CG1 C 13 20.660 0.300 . 2 . . . . 104 VAL CG1 . 11101 1 1247 . 1 1 104 104 VAL CG2 C 13 21.127 0.300 . 2 . . . . 104 VAL CG2 . 11101 1 1248 . 1 1 104 104 VAL N N 15 126.496 0.300 . 1 . . . . 104 VAL N . 11101 1 1249 . 1 1 105 105 ASP H H 1 8.845 0.030 . 1 . . . . 105 ASP H . 11101 1 1250 . 1 1 105 105 ASP HA H 1 4.649 0.030 . 1 . . . . 105 ASP HA . 11101 1 1251 . 1 1 105 105 ASP HB2 H 1 2.652 0.030 . 2 . . . . 105 ASP HB2 . 11101 1 1252 . 1 1 105 105 ASP HB3 H 1 2.593 0.030 . 2 . . . . 105 ASP HB3 . 11101 1 1253 . 1 1 105 105 ASP C C 13 175.670 0.300 . 1 . . . . 105 ASP C . 11101 1 1254 . 1 1 105 105 ASP CA C 13 55.751 0.300 . 1 . . . . 105 ASP CA . 11101 1 1255 . 1 1 105 105 ASP CB C 13 41.331 0.300 . 1 . . . . 105 ASP CB . 11101 1 1256 . 1 1 105 105 ASP N N 15 127.001 0.300 . 1 . . . . 105 ASP N . 11101 1 1257 . 1 1 106 106 TYR H H 1 8.179 0.030 . 1 . . . . 106 TYR H . 11101 1 1258 . 1 1 106 106 TYR HA H 1 4.709 0.030 . 1 . . . . 106 TYR HA . 11101 1 1259 . 1 1 106 106 TYR HB2 H 1 2.966 0.030 . 2 . . . . 106 TYR HB2 . 11101 1 1260 . 1 1 106 106 TYR HB3 H 1 2.505 0.030 . 2 . . . . 106 TYR HB3 . 11101 1 1261 . 1 1 106 106 TYR HD1 H 1 6.981 0.030 . 1 . . . . 106 TYR HD1 . 11101 1 1262 . 1 1 106 106 TYR HD2 H 1 6.981 0.030 . 1 . . . . 106 TYR HD2 . 11101 1 1263 . 1 1 106 106 TYR HE1 H 1 6.491 0.030 . 1 . . . . 106 TYR HE1 . 11101 1 1264 . 1 1 106 106 TYR HE2 H 1 6.491 0.030 . 1 . . . . 106 TYR HE2 . 11101 1 1265 . 1 1 106 106 TYR C C 13 173.868 0.300 . 1 . . . . 106 TYR C . 11101 1 1266 . 1 1 106 106 TYR CA C 13 58.251 0.300 . 1 . . . . 106 TYR CA . 11101 1 1267 . 1 1 106 106 TYR CB C 13 39.618 0.300 . 1 . . . . 106 TYR CB . 11101 1 1268 . 1 1 106 106 TYR CD1 C 13 132.455 0.300 . 1 . . . . 106 TYR CD1 . 11101 1 1269 . 1 1 106 106 TYR CD2 C 13 132.455 0.300 . 1 . . . . 106 TYR CD2 . 11101 1 1270 . 1 1 106 106 TYR CE1 C 13 118.246 0.300 . 1 . . . . 106 TYR CE1 . 11101 1 1271 . 1 1 106 106 TYR CE2 C 13 118.246 0.300 . 1 . . . . 106 TYR CE2 . 11101 1 1272 . 1 1 106 106 TYR N N 15 120.733 0.300 . 1 . . . . 106 TYR N . 11101 1 1273 . 1 1 107 107 ASP H H 1 8.367 0.030 . 1 . . . . 107 ASP H . 11101 1 1274 . 1 1 107 107 ASP HA H 1 4.766 0.030 . 1 . . . . 107 ASP HA . 11101 1 1275 . 1 1 107 107 ASP HB2 H 1 2.579 0.030 . 2 . . . . 107 ASP HB2 . 11101 1 1276 . 1 1 107 107 ASP HB3 H 1 2.484 0.030 . 2 . . . . 107 ASP HB3 . 11101 1 1277 . 1 1 107 107 ASP C C 13 175.611 0.300 . 1 . . . . 107 ASP C . 11101 1 1278 . 1 1 107 107 ASP CA C 13 52.877 0.300 . 1 . . . . 107 ASP CA . 11101 1 1279 . 1 1 107 107 ASP CB C 13 41.723 0.300 . 1 . . . . 107 ASP CB . 11101 1 1280 . 1 1 107 107 ASP N N 15 128.535 0.300 . 1 . . . . 107 ASP N . 11101 1 1281 . 1 1 108 108 GLY H H 1 5.140 0.030 . 1 . . . . 108 GLY H . 11101 1 1282 . 1 1 108 108 GLY HA2 H 1 4.165 0.030 . 2 . . . . 108 GLY HA2 . 11101 1 1283 . 1 1 108 108 GLY HA3 H 1 3.575 0.030 . 2 . . . . 108 GLY HA3 . 11101 1 1284 . 1 1 108 108 GLY C C 13 173.142 0.300 . 1 . . . . 108 GLY C . 11101 1 1285 . 1 1 108 108 GLY CA C 13 44.456 0.300 . 1 . . . . 108 GLY CA . 11101 1 1286 . 1 1 109 109 SER H H 1 8.491 0.030 . 1 . . . . 109 SER H . 11101 1 1287 . 1 1 109 109 SER HA H 1 4.365 0.030 . 1 . . . . 109 SER HA . 11101 1 1288 . 1 1 109 109 SER HB2 H 1 3.893 0.030 . 1 . . . . 109 SER HB2 . 11101 1 1289 . 1 1 109 109 SER HB3 H 1 3.893 0.030 . 1 . . . . 109 SER HB3 . 11101 1 1290 . 1 1 109 109 SER C C 13 176.785 0.300 . 1 . . . . 109 SER C . 11101 1 1291 . 1 1 109 109 SER CA C 13 58.851 0.300 . 1 . . . . 109 SER CA . 11101 1 1292 . 1 1 109 109 SER CB C 13 63.774 0.300 . 1 . . . . 109 SER CB . 11101 1 1293 . 1 1 109 109 SER N N 15 114.160 0.300 . 1 . . . . 109 SER N . 11101 1 1294 . 1 1 110 110 ARG HA H 1 4.438 0.030 . 1 . . . . 110 ARG HA . 11101 1 1295 . 1 1 110 110 ARG HB2 H 1 1.655 0.030 . 1 . . . . 110 ARG HB2 . 11101 1 1296 . 1 1 110 110 ARG HB3 H 1 1.655 0.030 . 1 . . . . 110 ARG HB3 . 11101 1 1297 . 1 1 110 110 ARG HD2 H 1 2.288 0.030 . 2 . . . . 110 ARG HD2 . 11101 1 1298 . 1 1 110 110 ARG HD3 H 1 2.818 0.030 . 2 . . . . 110 ARG HD3 . 11101 1 1299 . 1 1 110 110 ARG HG2 H 1 1.447 0.030 . 2 . . . . 110 ARG HG2 . 11101 1 1300 . 1 1 110 110 ARG HG3 H 1 1.015 0.030 . 2 . . . . 110 ARG HG3 . 11101 1 1301 . 1 1 110 110 ARG C C 13 174.842 0.300 . 1 . . . . 110 ARG C . 11101 1 1302 . 1 1 110 110 ARG CA C 13 55.786 0.300 . 1 . . . . 110 ARG CA . 11101 1 1303 . 1 1 110 110 ARG CB C 13 27.810 0.300 . 1 . . . . 110 ARG CB . 11101 1 1304 . 1 1 110 110 ARG CD C 13 43.345 0.300 . 1 . . . . 110 ARG CD . 11101 1 1305 . 1 1 110 110 ARG CG C 13 28.645 0.300 . 1 . . . . 110 ARG CG . 11101 1 1306 . 1 1 111 111 THR H H 1 7.741 0.030 . 1 . . . . 111 THR H . 11101 1 1307 . 1 1 111 111 THR HA H 1 4.814 0.030 . 1 . . . . 111 THR HA . 11101 1 1308 . 1 1 111 111 THR HB H 1 4.517 0.030 . 1 . . . . 111 THR HB . 11101 1 1309 . 1 1 111 111 THR HG21 H 1 1.234 0.030 . 1 . . . . 111 THR HG2 . 11101 1 1310 . 1 1 111 111 THR HG22 H 1 1.234 0.030 . 1 . . . . 111 THR HG2 . 11101 1 1311 . 1 1 111 111 THR HG23 H 1 1.234 0.030 . 1 . . . . 111 THR HG2 . 11101 1 1312 . 1 1 111 111 THR C C 13 174.749 0.300 . 1 . . . . 111 THR C . 11101 1 1313 . 1 1 111 111 THR CA C 13 58.884 0.300 . 1 . . . . 111 THR CA . 11101 1 1314 . 1 1 111 111 THR CB C 13 72.049 0.300 . 1 . . . . 111 THR CB . 11101 1 1315 . 1 1 111 111 THR CG2 C 13 22.189 0.300 . 1 . . . . 111 THR CG2 . 11101 1 1316 . 1 1 111 111 THR N N 15 110.295 0.300 . 1 . . . . 111 THR N . 11101 1 1317 . 1 1 112 112 GLN H H 1 9.734 0.030 . 1 . . . . 112 GLN H . 11101 1 1318 . 1 1 112 112 GLN HA H 1 3.794 0.030 . 1 . . . . 112 GLN HA . 11101 1 1319 . 1 1 112 112 GLN HB2 H 1 2.075 0.030 . 2 . . . . 112 GLN HB2 . 11101 1 1320 . 1 1 112 112 GLN HB3 H 1 2.045 0.030 . 2 . . . . 112 GLN HB3 . 11101 1 1321 . 1 1 112 112 GLN HE21 H 1 7.564 0.030 . 2 . . . . 112 GLN HE21 . 11101 1 1322 . 1 1 112 112 GLN HE22 H 1 6.689 0.030 . 2 . . . . 112 GLN HE22 . 11101 1 1323 . 1 1 112 112 GLN HG2 H 1 2.278 0.030 . 2 . . . . 112 GLN HG2 . 11101 1 1324 . 1 1 112 112 GLN HG3 H 1 2.222 0.030 . 2 . . . . 112 GLN HG3 . 11101 1 1325 . 1 1 112 112 GLN C C 13 177.162 0.300 . 1 . . . . 112 GLN C . 11101 1 1326 . 1 1 112 112 GLN CA C 13 59.796 0.300 . 1 . . . . 112 GLN CA . 11101 1 1327 . 1 1 112 112 GLN CB C 13 28.642 0.300 . 1 . . . . 112 GLN CB . 11101 1 1328 . 1 1 112 112 GLN CG C 13 33.697 0.300 . 1 . . . . 112 GLN CG . 11101 1 1329 . 1 1 112 112 GLN N N 15 122.393 0.300 . 1 . . . . 112 GLN N . 11101 1 1330 . 1 1 112 112 GLN NE2 N 15 110.847 0.300 . 1 . . . . 112 GLN NE2 . 11101 1 1331 . 1 1 113 113 GLU H H 1 9.154 0.030 . 1 . . . . 113 GLU H . 11101 1 1332 . 1 1 113 113 GLU HA H 1 3.858 0.030 . 1 . . . . 113 GLU HA . 11101 1 1333 . 1 1 113 113 GLU HB2 H 1 2.070 0.030 . 2 . . . . 113 GLU HB2 . 11101 1 1334 . 1 1 113 113 GLU HB3 H 1 1.940 0.030 . 2 . . . . 113 GLU HB3 . 11101 1 1335 . 1 1 113 113 GLU HG2 H 1 2.397 0.030 . 2 . . . . 113 GLU HG2 . 11101 1 1336 . 1 1 113 113 GLU HG3 H 1 2.290 0.030 . 2 . . . . 113 GLU HG3 . 11101 1 1337 . 1 1 113 113 GLU C C 13 179.498 0.300 . 1 . . . . 113 GLU C . 11101 1 1338 . 1 1 113 113 GLU CA C 13 60.520 0.300 . 1 . . . . 113 GLU CA . 11101 1 1339 . 1 1 113 113 GLU CB C 13 29.202 0.300 . 1 . . . . 113 GLU CB . 11101 1 1340 . 1 1 113 113 GLU CG C 13 36.762 0.300 . 1 . . . . 113 GLU CG . 11101 1 1341 . 1 1 113 113 GLU N N 15 115.865 0.300 . 1 . . . . 113 GLU N . 11101 1 1342 . 1 1 114 114 GLU H H 1 7.471 0.030 . 1 . . . . 114 GLU H . 11101 1 1343 . 1 1 114 114 GLU HA H 1 4.186 0.030 . 1 . . . . 114 GLU HA . 11101 1 1344 . 1 1 114 114 GLU HB2 H 1 2.346 0.030 . 2 . . . . 114 GLU HB2 . 11101 1 1345 . 1 1 114 114 GLU HB3 H 1 1.993 0.030 . 2 . . . . 114 GLU HB3 . 11101 1 1346 . 1 1 114 114 GLU HG2 H 1 2.509 0.030 . 2 . . . . 114 GLU HG2 . 11101 1 1347 . 1 1 114 114 GLU HG3 H 1 2.370 0.030 . 2 . . . . 114 GLU HG3 . 11101 1 1348 . 1 1 114 114 GLU C C 13 179.263 0.300 . 1 . . . . 114 GLU C . 11101 1 1349 . 1 1 114 114 GLU CA C 13 59.832 0.300 . 1 . . . . 114 GLU CA . 11101 1 1350 . 1 1 114 114 GLU CB C 13 29.605 0.300 . 1 . . . . 114 GLU CB . 11101 1 1351 . 1 1 114 114 GLU CG C 13 37.931 0.300 . 1 . . . . 114 GLU CG . 11101 1 1352 . 1 1 114 114 GLU N N 15 118.437 0.300 . 1 . . . . 114 GLU N . 11101 1 1353 . 1 1 115 115 ILE H H 1 8.149 0.030 . 1 . . . . 115 ILE H . 11101 1 1354 . 1 1 115 115 ILE HA H 1 3.400 0.030 . 1 . . . . 115 ILE HA . 11101 1 1355 . 1 1 115 115 ILE HB H 1 1.726 0.030 . 1 . . . . 115 ILE HB . 11101 1 1356 . 1 1 115 115 ILE HD11 H 1 0.845 0.030 . 1 . . . . 115 ILE HD1 . 11101 1 1357 . 1 1 115 115 ILE HD12 H 1 0.845 0.030 . 1 . . . . 115 ILE HD1 . 11101 1 1358 . 1 1 115 115 ILE HD13 H 1 0.845 0.030 . 1 . . . . 115 ILE HD1 . 11101 1 1359 . 1 1 115 115 ILE HG12 H 1 2.158 0.030 . 2 . . . . 115 ILE HG12 . 11101 1 1360 . 1 1 115 115 ILE HG13 H 1 0.247 0.030 . 2 . . . . 115 ILE HG13 . 11101 1 1361 . 1 1 115 115 ILE HG21 H 1 0.637 0.030 . 1 . . . . 115 ILE HG2 . 11101 1 1362 . 1 1 115 115 ILE HG22 H 1 0.637 0.030 . 1 . . . . 115 ILE HG2 . 11101 1 1363 . 1 1 115 115 ILE HG23 H 1 0.637 0.030 . 1 . . . . 115 ILE HG2 . 11101 1 1364 . 1 1 115 115 ILE C C 13 177.849 0.300 . 1 . . . . 115 ILE C . 11101 1 1365 . 1 1 115 115 ILE CA C 13 66.099 0.300 . 1 . . . . 115 ILE CA . 11101 1 1366 . 1 1 115 115 ILE CB C 13 37.505 0.300 . 1 . . . . 115 ILE CB . 11101 1 1367 . 1 1 115 115 ILE CD1 C 13 14.628 0.300 . 1 . . . . 115 ILE CD1 . 11101 1 1368 . 1 1 115 115 ILE CG1 C 13 29.689 0.300 . 1 . . . . 115 ILE CG1 . 11101 1 1369 . 1 1 115 115 ILE CG2 C 13 18.420 0.300 . 1 . . . . 115 ILE CG2 . 11101 1 1370 . 1 1 115 115 ILE N N 15 120.573 0.300 . 1 . . . . 115 ILE N . 11101 1 1371 . 1 1 116 116 VAL H H 1 8.470 0.030 . 1 . . . . 116 VAL H . 11101 1 1372 . 1 1 116 116 VAL HA H 1 3.324 0.030 . 1 . . . . 116 VAL HA . 11101 1 1373 . 1 1 116 116 VAL HB H 1 2.170 0.030 . 1 . . . . 116 VAL HB . 11101 1 1374 . 1 1 116 116 VAL HG11 H 1 0.811 0.030 . 1 . . . . 116 VAL HG1 . 11101 1 1375 . 1 1 116 116 VAL HG12 H 1 0.811 0.030 . 1 . . . . 116 VAL HG1 . 11101 1 1376 . 1 1 116 116 VAL HG13 H 1 0.811 0.030 . 1 . . . . 116 VAL HG1 . 11101 1 1377 . 1 1 116 116 VAL HG21 H 1 1.029 0.030 . 1 . . . . 116 VAL HG2 . 11101 1 1378 . 1 1 116 116 VAL HG22 H 1 1.029 0.030 . 1 . . . . 116 VAL HG2 . 11101 1 1379 . 1 1 116 116 VAL HG23 H 1 1.029 0.030 . 1 . . . . 116 VAL HG2 . 11101 1 1380 . 1 1 116 116 VAL C C 13 177.414 0.300 . 1 . . . . 116 VAL C . 11101 1 1381 . 1 1 116 116 VAL CA C 13 67.703 0.300 . 1 . . . . 116 VAL CA . 11101 1 1382 . 1 1 116 116 VAL CB C 13 31.194 0.300 . 1 . . . . 116 VAL CB . 11101 1 1383 . 1 1 116 116 VAL CG1 C 13 20.952 0.300 . 2 . . . . 116 VAL CG1 . 11101 1 1384 . 1 1 116 116 VAL CG2 C 13 25.141 0.300 . 2 . . . . 116 VAL CG2 . 11101 1 1385 . 1 1 116 116 VAL N N 15 117.850 0.300 . 1 . . . . 116 VAL N . 11101 1 1386 . 1 1 117 117 ALA H H 1 7.519 0.030 . 1 . . . . 117 ALA H . 11101 1 1387 . 1 1 117 117 ALA HA H 1 4.080 0.030 . 1 . . . . 117 ALA HA . 11101 1 1388 . 1 1 117 117 ALA HB1 H 1 1.549 0.030 . 1 . . . . 117 ALA HB . 11101 1 1389 . 1 1 117 117 ALA HB2 H 1 1.549 0.030 . 1 . . . . 117 ALA HB . 11101 1 1390 . 1 1 117 117 ALA HB3 H 1 1.549 0.030 . 1 . . . . 117 ALA HB . 11101 1 1391 . 1 1 117 117 ALA C C 13 180.853 0.300 . 1 . . . . 117 ALA C . 11101 1 1392 . 1 1 117 117 ALA CA C 13 55.512 0.300 . 1 . . . . 117 ALA CA . 11101 1 1393 . 1 1 117 117 ALA CB C 13 18.078 0.300 . 1 . . . . 117 ALA CB . 11101 1 1394 . 1 1 117 117 ALA N N 15 119.201 0.300 . 1 . . . . 117 ALA N . 11101 1 1395 . 1 1 118 118 LYS H H 1 7.846 0.030 . 1 . . . . 118 LYS H . 11101 1 1396 . 1 1 118 118 LYS HA H 1 4.341 0.030 . 1 . . . . 118 LYS HA . 11101 1 1397 . 1 1 118 118 LYS HB2 H 1 2.214 0.030 . 2 . . . . 118 LYS HB2 . 11101 1 1398 . 1 1 118 118 LYS HB3 H 1 2.058 0.030 . 2 . . . . 118 LYS HB3 . 11101 1 1399 . 1 1 118 118 LYS HD2 H 1 1.950 0.030 . 2 . . . . 118 LYS HD2 . 11101 1 1400 . 1 1 118 118 LYS HD3 H 1 1.877 0.030 . 2 . . . . 118 LYS HD3 . 11101 1 1401 . 1 1 118 118 LYS HE2 H 1 3.113 0.030 . 2 . . . . 118 LYS HE2 . 11101 1 1402 . 1 1 118 118 LYS HE3 H 1 2.829 0.030 . 2 . . . . 118 LYS HE3 . 11101 1 1403 . 1 1 118 118 LYS HG2 H 1 1.386 0.030 . 2 . . . . 118 LYS HG2 . 11101 1 1404 . 1 1 118 118 LYS HG3 H 1 1.771 0.030 . 2 . . . . 118 LYS HG3 . 11101 1 1405 . 1 1 118 118 LYS C C 13 178.276 0.300 . 1 . . . . 118 LYS C . 11101 1 1406 . 1 1 118 118 LYS CA C 13 57.249 0.300 . 1 . . . . 118 LYS CA . 11101 1 1407 . 1 1 118 118 LYS CB C 13 30.893 0.300 . 1 . . . . 118 LYS CB . 11101 1 1408 . 1 1 118 118 LYS CD C 13 27.389 0.300 . 1 . . . . 118 LYS CD . 11101 1 1409 . 1 1 118 118 LYS CE C 13 41.713 0.300 . 1 . . . . 118 LYS CE . 11101 1 1410 . 1 1 118 118 LYS CG C 13 24.320 0.300 . 1 . . . . 118 LYS CG . 11101 1 1411 . 1 1 118 118 LYS N N 15 118.922 0.300 . 1 . . . . 118 LYS N . 11101 1 1412 . 1 1 119 119 VAL H H 1 8.614 0.030 . 1 . . . . 119 VAL H . 11101 1 1413 . 1 1 119 119 VAL HA H 1 3.373 0.030 . 1 . . . . 119 VAL HA . 11101 1 1414 . 1 1 119 119 VAL HB H 1 2.002 0.030 . 1 . . . . 119 VAL HB . 11101 1 1415 . 1 1 119 119 VAL HG11 H 1 0.872 0.030 . 1 . . . . 119 VAL HG1 . 11101 1 1416 . 1 1 119 119 VAL HG12 H 1 0.872 0.030 . 1 . . . . 119 VAL HG1 . 11101 1 1417 . 1 1 119 119 VAL HG13 H 1 0.872 0.030 . 1 . . . . 119 VAL HG1 . 11101 1 1418 . 1 1 119 119 VAL HG21 H 1 0.931 0.030 . 1 . . . . 119 VAL HG2 . 11101 1 1419 . 1 1 119 119 VAL HG22 H 1 0.931 0.030 . 1 . . . . 119 VAL HG2 . 11101 1 1420 . 1 1 119 119 VAL HG23 H 1 0.931 0.030 . 1 . . . . 119 VAL HG2 . 11101 1 1421 . 1 1 119 119 VAL C C 13 177.894 0.300 . 1 . . . . 119 VAL C . 11101 1 1422 . 1 1 119 119 VAL CA C 13 66.791 0.300 . 1 . . . . 119 VAL CA . 11101 1 1423 . 1 1 119 119 VAL CB C 13 31.095 0.300 . 1 . . . . 119 VAL CB . 11101 1 1424 . 1 1 119 119 VAL CG1 C 13 23.221 0.300 . 2 . . . . 119 VAL CG1 . 11101 1 1425 . 1 1 119 119 VAL CG2 C 13 25.214 0.300 . 2 . . . . 119 VAL CG2 . 11101 1 1426 . 1 1 119 119 VAL N N 15 118.757 0.300 . 1 . . . . 119 VAL N . 11101 1 1427 . 1 1 120 120 ARG H H 1 8.525 0.030 . 1 . . . . 120 ARG H . 11101 1 1428 . 1 1 120 120 ARG HA H 1 3.765 0.030 . 1 . . . . 120 ARG HA . 11101 1 1429 . 1 1 120 120 ARG HB2 H 1 1.821 0.030 . 1 . . . . 120 ARG HB2 . 11101 1 1430 . 1 1 120 120 ARG HB3 H 1 1.821 0.030 . 1 . . . . 120 ARG HB3 . 11101 1 1431 . 1 1 120 120 ARG HD2 H 1 3.064 0.030 . 2 . . . . 120 ARG HD2 . 11101 1 1432 . 1 1 120 120 ARG HD3 H 1 3.024 0.030 . 2 . . . . 120 ARG HD3 . 11101 1 1433 . 1 1 120 120 ARG HE H 1 6.959 0.030 . 1 . . . . 120 ARG HE . 11101 1 1434 . 1 1 120 120 ARG HG2 H 1 1.481 0.030 . 2 . . . . 120 ARG HG2 . 11101 1 1435 . 1 1 120 120 ARG C C 13 179.523 0.300 . 1 . . . . 120 ARG C . 11101 1 1436 . 1 1 120 120 ARG CA C 13 60.534 0.300 . 1 . . . . 120 ARG CA . 11101 1 1437 . 1 1 120 120 ARG CB C 13 29.482 0.300 . 1 . . . . 120 ARG CB . 11101 1 1438 . 1 1 120 120 ARG CD C 13 43.456 0.300 . 1 . . . . 120 ARG CD . 11101 1 1439 . 1 1 120 120 ARG CG C 13 29.299 0.300 . 1 . . . . 120 ARG CG . 11101 1 1440 . 1 1 120 120 ARG N N 15 119.358 0.300 . 1 . . . . 120 ARG N . 11101 1 1441 . 1 1 120 120 ARG NE N 15 84.600 0.300 . 1 . . . . 120 ARG NE . 11101 1 1442 . 1 1 121 121 GLU H H 1 7.640 0.030 . 1 . . . . 121 GLU H . 11101 1 1443 . 1 1 121 121 GLU HA H 1 4.072 0.030 . 1 . . . . 121 GLU HA . 11101 1 1444 . 1 1 121 121 GLU HB2 H 1 2.374 0.030 . 2 . . . . 121 GLU HB2 . 11101 1 1445 . 1 1 121 121 GLU HB3 H 1 2.246 0.030 . 2 . . . . 121 GLU HB3 . 11101 1 1446 . 1 1 121 121 GLU HG2 H 1 2.527 0.030 . 2 . . . . 121 GLU HG2 . 11101 1 1447 . 1 1 121 121 GLU HG3 H 1 2.126 0.030 . 2 . . . . 121 GLU HG3 . 11101 1 1448 . 1 1 121 121 GLU C C 13 178.577 0.300 . 1 . . . . 121 GLU C . 11101 1 1449 . 1 1 121 121 GLU CA C 13 59.725 0.300 . 1 . . . . 121 GLU CA . 11101 1 1450 . 1 1 121 121 GLU CB C 13 29.996 0.300 . 1 . . . . 121 GLU CB . 11101 1 1451 . 1 1 121 121 GLU CG C 13 36.060 0.300 . 1 . . . . 121 GLU CG . 11101 1 1452 . 1 1 121 121 GLU N N 15 121.290 0.300 . 1 . . . . 121 GLU N . 11101 1 1453 . 1 1 122 122 VAL H H 1 7.945 0.030 . 1 . . . . 122 VAL H . 11101 1 1454 . 1 1 122 122 VAL HA H 1 2.320 0.030 . 1 . . . . 122 VAL HA . 11101 1 1455 . 1 1 122 122 VAL HB H 1 1.500 0.030 . 1 . . . . 122 VAL HB . 11101 1 1456 . 1 1 122 122 VAL HG11 H 1 0.098 0.030 . 1 . . . . 122 VAL HG1 . 11101 1 1457 . 1 1 122 122 VAL HG12 H 1 0.098 0.030 . 1 . . . . 122 VAL HG1 . 11101 1 1458 . 1 1 122 122 VAL HG13 H 1 0.098 0.030 . 1 . . . . 122 VAL HG1 . 11101 1 1459 . 1 1 122 122 VAL HG21 H 1 0.249 0.030 . 1 . . . . 122 VAL HG2 . 11101 1 1460 . 1 1 122 122 VAL HG22 H 1 0.249 0.030 . 1 . . . . 122 VAL HG2 . 11101 1 1461 . 1 1 122 122 VAL HG23 H 1 0.249 0.030 . 1 . . . . 122 VAL HG2 . 11101 1 1462 . 1 1 122 122 VAL C C 13 176.124 0.300 . 1 . . . . 122 VAL C . 11101 1 1463 . 1 1 122 122 VAL CA C 13 63.787 0.300 . 1 . . . . 122 VAL CA . 11101 1 1464 . 1 1 122 122 VAL CB C 13 31.457 0.300 . 1 . . . . 122 VAL CB . 11101 1 1465 . 1 1 122 122 VAL CG1 C 13 21.522 0.300 . 2 . . . . 122 VAL CG1 . 11101 1 1466 . 1 1 122 122 VAL CG2 C 13 22.130 0.300 . 2 . . . . 122 VAL CG2 . 11101 1 1467 . 1 1 122 122 VAL N N 15 119.265 0.300 . 1 . . . . 122 VAL N . 11101 1 1468 . 1 1 123 123 SER H H 1 8.124 0.030 . 1 . . . . 123 SER H . 11101 1 1469 . 1 1 123 123 SER HA H 1 4.409 0.030 . 1 . . . . 123 SER HA . 11101 1 1470 . 1 1 123 123 SER HB2 H 1 3.871 0.030 . 1 . . . . 123 SER HB2 . 11101 1 1471 . 1 1 123 123 SER HB3 H 1 3.871 0.030 . 1 . . . . 123 SER HB3 . 11101 1 1472 . 1 1 123 123 SER C C 13 174.417 0.300 . 1 . . . . 123 SER C . 11101 1 1473 . 1 1 123 123 SER CA C 13 59.635 0.300 . 1 . . . . 123 SER CA . 11101 1 1474 . 1 1 123 123 SER CB C 13 64.144 0.300 . 1 . . . . 123 SER CB . 11101 1 1475 . 1 1 123 123 SER N N 15 111.761 0.300 . 1 . . . . 123 SER N . 11101 1 1476 . 1 1 124 124 GLN H H 1 7.205 0.030 . 1 . . . . 124 GLN H . 11101 1 1477 . 1 1 124 124 GLN HA H 1 4.348 0.030 . 1 . . . . 124 GLN HA . 11101 1 1478 . 1 1 124 124 GLN HB2 H 1 2.463 0.030 . 2 . . . . 124 GLN HB2 . 11101 1 1479 . 1 1 124 124 GLN HB3 H 1 2.106 0.030 . 2 . . . . 124 GLN HB3 . 11101 1 1480 . 1 1 124 124 GLN HE21 H 1 7.493 0.030 . 2 . . . . 124 GLN HE21 . 11101 1 1481 . 1 1 124 124 GLN HE22 H 1 7.040 0.030 . 2 . . . . 124 GLN HE22 . 11101 1 1482 . 1 1 124 124 GLN HG2 H 1 2.898 0.030 . 2 . . . . 124 GLN HG2 . 11101 1 1483 . 1 1 124 124 GLN HG3 H 1 2.759 0.030 . 2 . . . . 124 GLN HG3 . 11101 1 1484 . 1 1 124 124 GLN C C 13 176.481 0.300 . 1 . . . . 124 GLN C . 11101 1 1485 . 1 1 124 124 GLN CA C 13 54.516 0.300 . 1 . . . . 124 GLN CA . 11101 1 1486 . 1 1 124 124 GLN CB C 13 28.055 0.300 . 1 . . . . 124 GLN CB . 11101 1 1487 . 1 1 124 124 GLN CG C 13 33.779 0.300 . 1 . . . . 124 GLN CG . 11101 1 1488 . 1 1 124 124 GLN N N 15 121.862 0.300 . 1 . . . . 124 GLN N . 11101 1 1489 . 1 1 124 124 GLN NE2 N 15 113.801 0.300 . 1 . . . . 124 GLN NE2 . 11101 1 1490 . 1 1 125 125 PRO HA H 1 4.522 0.030 . 1 . . . . 125 PRO HA . 11101 1 1491 . 1 1 125 125 PRO HB2 H 1 2.383 0.030 . 2 . . . . 125 PRO HB2 . 11101 1 1492 . 1 1 125 125 PRO HB3 H 1 2.002 0.030 . 2 . . . . 125 PRO HB3 . 11101 1 1493 . 1 1 125 125 PRO HD2 H 1 3.857 0.030 . 2 . . . . 125 PRO HD2 . 11101 1 1494 . 1 1 125 125 PRO HD3 H 1 3.821 0.030 . 2 . . . . 125 PRO HD3 . 11101 1 1495 . 1 1 125 125 PRO HG2 H 1 2.117 0.030 . 2 . . . . 125 PRO HG2 . 11101 1 1496 . 1 1 125 125 PRO C C 13 177.603 0.300 . 1 . . . . 125 PRO C . 11101 1 1497 . 1 1 125 125 PRO CA C 13 64.773 0.300 . 1 . . . . 125 PRO CA . 11101 1 1498 . 1 1 125 125 PRO CB C 13 31.779 0.300 . 1 . . . . 125 PRO CB . 11101 1 1499 . 1 1 125 125 PRO CD C 13 50.524 0.300 . 1 . . . . 125 PRO CD . 11101 1 1500 . 1 1 125 125 PRO CG C 13 27.732 0.300 . 1 . . . . 125 PRO CG . 11101 1 1501 . 1 1 126 126 ASP H H 1 8.373 0.030 . 1 . . . . 126 ASP H . 11101 1 1502 . 1 1 126 126 ASP HA H 1 4.667 0.030 . 1 . . . . 126 ASP HA . 11101 1 1503 . 1 1 126 126 ASP HB2 H 1 2.843 0.030 . 2 . . . . 126 ASP HB2 . 11101 1 1504 . 1 1 126 126 ASP HB3 H 1 2.686 0.030 . 2 . . . . 126 ASP HB3 . 11101 1 1505 . 1 1 126 126 ASP C C 13 175.754 0.300 . 1 . . . . 126 ASP C . 11101 1 1506 . 1 1 126 126 ASP CA C 13 52.921 0.300 . 1 . . . . 126 ASP CA . 11101 1 1507 . 1 1 126 126 ASP CB C 13 39.995 0.300 . 1 . . . . 126 ASP CB . 11101 1 1508 . 1 1 126 126 ASP N N 15 114.528 0.300 . 1 . . . . 126 ASP N . 11101 1 1509 . 1 1 127 127 TRP H H 1 7.604 0.030 . 1 . . . . 127 TRP H . 11101 1 1510 . 1 1 127 127 TRP HA H 1 4.228 0.030 . 1 . . . . 127 TRP HA . 11101 1 1511 . 1 1 127 127 TRP HB2 H 1 3.302 0.030 . 1 . . . . 127 TRP HB2 . 11101 1 1512 . 1 1 127 127 TRP HB3 H 1 3.302 0.030 . 1 . . . . 127 TRP HB3 . 11101 1 1513 . 1 1 127 127 TRP HD1 H 1 7.215 0.030 . 1 . . . . 127 TRP HD1 . 11101 1 1514 . 1 1 127 127 TRP HE1 H 1 10.294 0.030 . 1 . . . . 127 TRP HE1 . 11101 1 1515 . 1 1 127 127 TRP HE3 H 1 7.359 0.030 . 1 . . . . 127 TRP HE3 . 11101 1 1516 . 1 1 127 127 TRP HH2 H 1 7.174 0.030 . 1 . . . . 127 TRP HH2 . 11101 1 1517 . 1 1 127 127 TRP HZ2 H 1 7.457 0.030 . 1 . . . . 127 TRP HZ2 . 11101 1 1518 . 1 1 127 127 TRP HZ3 H 1 6.928 0.030 . 1 . . . . 127 TRP HZ3 . 11101 1 1519 . 1 1 127 127 TRP C C 13 176.623 0.300 . 1 . . . . 127 TRP C . 11101 1 1520 . 1 1 127 127 TRP CA C 13 60.974 0.300 . 1 . . . . 127 TRP CA . 11101 1 1521 . 1 1 127 127 TRP CB C 13 29.781 0.300 . 1 . . . . 127 TRP CB . 11101 1 1522 . 1 1 127 127 TRP CD1 C 13 127.875 0.300 . 1 . . . . 127 TRP CD1 . 11101 1 1523 . 1 1 127 127 TRP CE3 C 13 120.740 0.300 . 1 . . . . 127 TRP CE3 . 11101 1 1524 . 1 1 127 127 TRP CH2 C 13 124.118 0.300 . 1 . . . . 127 TRP CH2 . 11101 1 1525 . 1 1 127 127 TRP CZ2 C 13 114.437 0.300 . 1 . . . . 127 TRP CZ2 . 11101 1 1526 . 1 1 127 127 TRP CZ3 C 13 121.029 0.300 . 1 . . . . 127 TRP CZ3 . 11101 1 1527 . 1 1 127 127 TRP N N 15 122.592 0.300 . 1 . . . . 127 TRP N . 11101 1 1528 . 1 1 127 127 TRP NE1 N 15 129.618 0.300 . 1 . . . . 127 TRP NE1 . 11101 1 1529 . 1 1 128 128 THR H H 1 7.149 0.030 . 1 . . . . 128 THR H . 11101 1 1530 . 1 1 128 128 THR HA H 1 4.316 0.030 . 1 . . . . 128 THR HA . 11101 1 1531 . 1 1 128 128 THR HB H 1 3.838 0.030 . 1 . . . . 128 THR HB . 11101 1 1532 . 1 1 128 128 THR HG21 H 1 1.041 0.030 . 1 . . . . 128 THR HG2 . 11101 1 1533 . 1 1 128 128 THR HG22 H 1 1.041 0.030 . 1 . . . . 128 THR HG2 . 11101 1 1534 . 1 1 128 128 THR HG23 H 1 1.041 0.030 . 1 . . . . 128 THR HG2 . 11101 1 1535 . 1 1 128 128 THR C C 13 169.682 0.300 . 1 . . . . 128 THR C . 11101 1 1536 . 1 1 128 128 THR CA C 13 58.165 0.300 . 1 . . . . 128 THR CA . 11101 1 1537 . 1 1 128 128 THR CB C 13 70.549 0.300 . 1 . . . . 128 THR CB . 11101 1 1538 . 1 1 128 128 THR CG2 C 13 21.128 0.300 . 1 . . . . 128 THR CG2 . 11101 1 1539 . 1 1 128 128 THR N N 15 121.519 0.300 . 1 . . . . 128 THR N . 11101 1 1540 . 1 1 129 129 PRO HA H 1 3.976 0.030 . 1 . . . . 129 PRO HA . 11101 1 1541 . 1 1 129 129 PRO HB2 H 1 2.314 0.030 . 2 . . . . 129 PRO HB2 . 11101 1 1542 . 1 1 129 129 PRO HB3 H 1 1.805 0.030 . 2 . . . . 129 PRO HB3 . 11101 1 1543 . 1 1 129 129 PRO HD2 H 1 3.456 0.030 . 2 . . . . 129 PRO HD2 . 11101 1 1544 . 1 1 129 129 PRO HD3 H 1 3.353 0.030 . 2 . . . . 129 PRO HD3 . 11101 1 1545 . 1 1 129 129 PRO HG2 H 1 1.962 0.030 . 1 . . . . 129 PRO HG2 . 11101 1 1546 . 1 1 129 129 PRO HG3 H 1 1.962 0.030 . 1 . . . . 129 PRO HG3 . 11101 1 1547 . 1 1 129 129 PRO CA C 13 61.006 0.300 . 1 . . . . 129 PRO CA . 11101 1 1548 . 1 1 129 129 PRO CB C 13 30.549 0.300 . 1 . . . . 129 PRO CB . 11101 1 1549 . 1 1 129 129 PRO CD C 13 50.494 0.300 . 1 . . . . 129 PRO CD . 11101 1 1550 . 1 1 129 129 PRO CG C 13 27.200 0.300 . 1 . . . . 129 PRO CG . 11101 1 1551 . 1 1 130 130 PRO HA H 1 4.578 0.030 . 1 . . . . 130 PRO HA . 11101 1 1552 . 1 1 130 130 PRO HB2 H 1 2.327 0.030 . 2 . . . . 130 PRO HB2 . 11101 1 1553 . 1 1 130 130 PRO HB3 H 1 1.926 0.030 . 2 . . . . 130 PRO HB3 . 11101 1 1554 . 1 1 130 130 PRO HD2 H 1 3.749 0.030 . 2 . . . . 130 PRO HD2 . 11101 1 1555 . 1 1 130 130 PRO HD3 H 1 3.680 0.030 . 2 . . . . 130 PRO HD3 . 11101 1 1556 . 1 1 130 130 PRO HG2 H 1 2.121 0.030 . 1 . . . . 130 PRO HG2 . 11101 1 1557 . 1 1 130 130 PRO HG3 H 1 2.121 0.030 . 1 . . . . 130 PRO HG3 . 11101 1 1558 . 1 1 130 130 PRO CA C 13 61.269 0.300 . 1 . . . . 130 PRO CA . 11101 1 1559 . 1 1 130 130 PRO CB C 13 30.851 0.300 . 1 . . . . 130 PRO CB . 11101 1 1560 . 1 1 130 130 PRO CD C 13 50.461 0.300 . 1 . . . . 130 PRO CD . 11101 1 1561 . 1 1 130 130 PRO CG C 13 27.575 0.300 . 1 . . . . 130 PRO CG . 11101 1 1562 . 1 1 131 131 PRO HA H 1 4.373 0.030 . 1 . . . . 131 PRO HA . 11101 1 1563 . 1 1 131 131 PRO HB2 H 1 2.243 0.030 . 2 . . . . 131 PRO HB2 . 11101 1 1564 . 1 1 131 131 PRO HB3 H 1 1.866 0.030 . 2 . . . . 131 PRO HB3 . 11101 1 1565 . 1 1 131 131 PRO HD2 H 1 3.713 0.030 . 2 . . . . 131 PRO HD2 . 11101 1 1566 . 1 1 131 131 PRO HD3 H 1 3.604 0.030 . 2 . . . . 131 PRO HD3 . 11101 1 1567 . 1 1 131 131 PRO HG2 H 1 1.967 0.030 . 1 . . . . 131 PRO HG2 . 11101 1 1568 . 1 1 131 131 PRO HG3 H 1 1.967 0.030 . 1 . . . . 131 PRO HG3 . 11101 1 1569 . 1 1 131 131 PRO C C 13 176.924 0.300 . 1 . . . . 131 PRO C . 11101 1 1570 . 1 1 131 131 PRO CA C 13 62.854 0.300 . 1 . . . . 131 PRO CA . 11101 1 1571 . 1 1 131 131 PRO CB C 13 32.077 0.300 . 1 . . . . 131 PRO CB . 11101 1 1572 . 1 1 131 131 PRO CD C 13 50.417 0.300 . 1 . . . . 131 PRO CD . 11101 1 1573 . 1 1 131 131 PRO CG C 13 27.308 0.300 . 1 . . . . 131 PRO CG . 11101 1 1574 . 1 1 132 132 GLU H H 1 8.515 0.030 . 1 . . . . 132 GLU H . 11101 1 1575 . 1 1 132 132 GLU HA H 1 4.254 0.030 . 1 . . . . 132 GLU HA . 11101 1 1576 . 1 1 132 132 GLU HB2 H 1 1.924 0.030 . 2 . . . . 132 GLU HB2 . 11101 1 1577 . 1 1 132 132 GLU C C 13 176.723 0.300 . 1 . . . . 132 GLU C . 11101 1 1578 . 1 1 132 132 GLU CA C 13 56.623 0.300 . 1 . . . . 132 GLU CA . 11101 1 1579 . 1 1 132 132 GLU CB C 13 30.311 0.300 . 1 . . . . 132 GLU CB . 11101 1 1580 . 1 1 132 132 GLU CG C 13 36.144 0.300 . 1 . . . . 132 GLU CG . 11101 1 1581 . 1 1 132 132 GLU N N 15 121.088 0.300 . 1 . . . . 132 GLU N . 11101 1 1582 . 1 1 133 133 VAL H H 1 8.319 0.030 . 1 . . . . 133 VAL H . 11101 1 1583 . 1 1 133 133 VAL HA H 1 4.185 0.030 . 1 . . . . 133 VAL HA . 11101 1 1584 . 1 1 133 133 VAL HB H 1 2.086 0.030 . 1 . . . . 133 VAL HB . 11101 1 1585 . 1 1 133 133 VAL HG11 H 1 0.947 0.030 . 1 . . . . 133 VAL HG1 . 11101 1 1586 . 1 1 133 133 VAL HG12 H 1 0.947 0.030 . 1 . . . . 133 VAL HG1 . 11101 1 1587 . 1 1 133 133 VAL HG13 H 1 0.947 0.030 . 1 . . . . 133 VAL HG1 . 11101 1 1588 . 1 1 133 133 VAL C C 13 176.442 0.300 . 1 . . . . 133 VAL C . 11101 1 1589 . 1 1 133 133 VAL CA C 13 62.344 0.300 . 1 . . . . 133 VAL CA . 11101 1 1590 . 1 1 133 133 VAL CB C 13 32.789 0.300 . 1 . . . . 133 VAL CB . 11101 1 1591 . 1 1 133 133 VAL CG1 C 13 20.686 0.300 . 2 . . . . 133 VAL CG1 . 11101 1 1592 . 1 1 133 133 VAL N N 15 122.019 0.300 . 1 . . . . 133 VAL N . 11101 1 1593 . 1 1 134 134 THR H H 1 8.284 0.030 . 1 . . . . 134 THR H . 11101 1 1594 . 1 1 134 134 THR HA H 1 4.420 0.030 . 1 . . . . 134 THR HA . 11101 1 1595 . 1 1 134 134 THR HB H 1 4.235 0.030 . 1 . . . . 134 THR HB . 11101 1 1596 . 1 1 134 134 THR HG21 H 1 1.181 0.030 . 1 . . . . 134 THR HG2 . 11101 1 1597 . 1 1 134 134 THR HG22 H 1 1.181 0.030 . 1 . . . . 134 THR HG2 . 11101 1 1598 . 1 1 134 134 THR HG23 H 1 1.181 0.030 . 1 . . . . 134 THR HG2 . 11101 1 1599 . 1 1 134 134 THR C C 13 174.516 0.300 . 1 . . . . 134 THR C . 11101 1 1600 . 1 1 134 134 THR CA C 13 61.561 0.300 . 1 . . . . 134 THR CA . 11101 1 1601 . 1 1 134 134 THR CB C 13 69.908 0.300 . 1 . . . . 134 THR CB . 11101 1 1602 . 1 1 134 134 THR CG2 C 13 21.502 0.300 . 1 . . . . 134 THR CG2 . 11101 1 1603 . 1 1 134 134 THR N N 15 118.058 0.300 . 1 . . . . 134 THR N . 11101 1 1604 . 1 1 135 135 SER H H 1 8.352 0.030 . 1 . . . . 135 SER H . 11101 1 1605 . 1 1 135 135 SER HA H 1 4.516 0.030 . 1 . . . . 135 SER HA . 11101 1 1606 . 1 1 135 135 SER HB2 H 1 3.891 0.030 . 2 . . . . 135 SER HB2 . 11101 1 1607 . 1 1 135 135 SER C C 13 174.505 0.300 . 1 . . . . 135 SER C . 11101 1 1608 . 1 1 135 135 SER CA C 13 58.281 0.300 . 1 . . . . 135 SER CA . 11101 1 1609 . 1 1 135 135 SER CB C 13 64.104 0.300 . 1 . . . . 135 SER CB . 11101 1 1610 . 1 1 135 135 SER N N 15 118.258 0.300 . 1 . . . . 135 SER N . 11101 1 1611 . 1 1 136 136 GLY H H 1 8.284 0.030 . 1 . . . . 136 GLY H . 11101 1 1612 . 1 1 136 136 GLY HA2 H 1 4.081 0.030 . 2 . . . . 136 GLY HA2 . 11101 1 1613 . 1 1 136 136 GLY C C 13 171.786 0.300 . 1 . . . . 136 GLY C . 11101 1 1614 . 1 1 136 136 GLY CA C 13 44.633 0.300 . 1 . . . . 136 GLY CA . 11101 1 1615 . 1 1 136 136 GLY N N 15 110.800 0.300 . 1 . . . . 136 GLY N . 11101 1 1616 . 1 1 137 137 PRO HA H 1 4.484 0.030 . 1 . . . . 137 PRO HA . 11101 1 1617 . 1 1 137 137 PRO HB2 H 1 2.297 0.030 . 2 . . . . 137 PRO HB2 . 11101 1 1618 . 1 1 137 137 PRO HB3 H 1 1.979 0.030 . 2 . . . . 137 PRO HB3 . 11101 1 1619 . 1 1 137 137 PRO HD2 H 1 3.614 0.030 . 1 . . . . 137 PRO HD2 . 11101 1 1620 . 1 1 137 137 PRO HD3 H 1 3.614 0.030 . 1 . . . . 137 PRO HD3 . 11101 1 1621 . 1 1 137 137 PRO HG2 H 1 2.019 0.030 . 2 . . . . 137 PRO HG2 . 11101 1 1622 . 1 1 137 137 PRO C C 13 177.448 0.300 . 1 . . . . 137 PRO C . 11101 1 1623 . 1 1 137 137 PRO CA C 13 63.271 0.300 . 1 . . . . 137 PRO CA . 11101 1 1624 . 1 1 137 137 PRO CB C 13 32.146 0.300 . 1 . . . . 137 PRO CB . 11101 1 1625 . 1 1 137 137 PRO CD C 13 49.829 0.300 . 1 . . . . 137 PRO CD . 11101 1 1626 . 1 1 137 137 PRO CG C 13 27.139 0.300 . 1 . . . . 137 PRO CG . 11101 1 1627 . 1 1 138 138 SER H H 1 8.545 0.030 . 1 . . . . 138 SER H . 11101 1 1628 . 1 1 138 138 SER C C 13 174.700 0.300 . 1 . . . . 138 SER C . 11101 1 1629 . 1 1 138 138 SER CA C 13 58.383 0.300 . 1 . . . . 138 SER CA . 11101 1 1630 . 1 1 138 138 SER CB C 13 64.048 0.300 . 1 . . . . 138 SER CB . 11101 1 1631 . 1 1 138 138 SER N N 15 116.518 0.300 . 1 . . . . 138 SER N . 11101 1 1632 . 1 1 139 139 SER HA H 1 4.505 0.030 . 1 . . . . 139 SER HA . 11101 1 1633 . 1 1 139 139 SER HB2 H 1 3.912 0.030 . 2 . . . . 139 SER HB2 . 11101 1 1634 . 1 1 139 139 SER C C 13 173.978 0.300 . 1 . . . . 139 SER C . 11101 1 1635 . 1 1 139 139 SER CA C 13 58.354 0.300 . 1 . . . . 139 SER CA . 11101 1 1636 . 1 1 139 139 SER CB C 13 64.092 0.300 . 1 . . . . 139 SER CB . 11101 1 1637 . 1 1 140 140 GLY H H 1 8.051 0.030 . 1 . . . . 140 GLY H . 11101 1 1638 . 1 1 140 140 GLY C C 13 179.051 0.300 . 1 . . . . 140 GLY C . 11101 1 1639 . 1 1 140 140 GLY CA C 13 46.193 0.300 . 1 . . . . 140 GLY CA . 11101 1 1640 . 1 1 140 140 GLY N N 15 116.916 0.300 . 1 . . . . 140 GLY N . 11101 1 stop_ save_