data_16249 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16249 _Entry.Title ; The carboxy-terminal non-repetitive domain of a spider dragline silk protein regulates nucleation of silk assembly ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-09 _Entry.Accession_date 2009-04-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of the C-termial non-repetitive domain of spider dragline silk protein ADF-3' _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 Franz Hagn . X. . 16249 2 Lukas Eisoldt . . . 16249 3 John Hardy . . . 16249 4 Charlotte Vendrely . . . 16249 5 Murray Coles . . . 16249 6 Thomas Scheibel . . . 16249 7 Horst Kessler . . . 16249 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16249 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Integrated Protein Science Munich' . 16249 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha helix' . 16249 homodimer . 16249 swapped . 16249 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16249 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 16249 '15N chemical shifts' 148 16249 '1H chemical shifts' 860 16249 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 2 . . 2010-05-20 2009-04-09 update BMRB 'complete entry citation' 16249 1 . . 2010-05-07 2009-04-09 original author 'original release' 16249 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17131 'NMR Assignment of the N-terminal domain of Araneus diadematus spider silk protein' 16249 PDB 2KHM 'BMRB Entry Tracking System' 16249 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16249 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20463741 _Citation.Full_citation . _Citation.Title 'A conserved spider silk domain acts as a molecular switch that controls fibre assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 465 _Citation.Journal_issue 7295 _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 239 _Citation.Page_last 242 _Citation.Year 2010 _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 Franz Hagn . . . 16249 1 2 Lukas Eisoldt . . . 16249 1 3 John Hardy . G. . 16249 1 4 Charlotte Vendrely . . . 16249 1 5 Murray Coles . . . 16249 1 6 Thomas Scheibel . . . 16249 1 7 Horst Kessler . . . 16249 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID biopolymers 16249 1 fibers 16249 1 'NMR spectroscopy' 16249 1 'protein folding' 16249 1 structure 16249 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16249 _Assembly.ID 1 _Assembly.Name 'NR3 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NR3,chain_1 1 $NR3 A . yes native no no . . . 16249 1 2 NR3,chain_2 1 $NR3 B . yes native no no . . . 16249 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 NR3,chain_1 1 CYS 92 92 SG . 2 NR3,chain_2 1 CYS 92 92 SG . . . . . . . . . . 16249 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NR3 _Entity.Sf_category entity _Entity.Sf_framecode NR3 _Entity.Entry_ID 16249 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NR3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASMTGGQQMGRGSMGAASA AVSVGGYGPQSSSAPVASAA ASRLSSPAASSRVSSAVSSL VSSGPTNQAALSNTISSVVS QVSASNPGLSGCDVLVQALL EVVSALVSILGSSSIGQINY GASAQYTQMVGQSVAQALAG ; _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 disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13329.825 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KHM . "Structure Of The C-Terminal Non-Repetitive Domain Of The Spi Dragline Silk Protein Adf-3" . . . . . 100.00 140 100.00 100.00 8.23e-83 . . . . 16249 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Dimerization of fiber chains' 16249 1 'regulation of fiber assembly' 16249 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 . MET . 16249 1 2 . ALA . 16249 1 3 . SER . 16249 1 4 . MET . 16249 1 5 . THR . 16249 1 6 . GLY . 16249 1 7 . GLY . 16249 1 8 . GLN . 16249 1 9 . GLN . 16249 1 10 . MET . 16249 1 11 . GLY . 16249 1 12 . ARG . 16249 1 13 . GLY . 16249 1 14 . SER . 16249 1 15 . MET . 16249 1 16 . GLY . 16249 1 17 . ALA . 16249 1 18 . ALA . 16249 1 19 . SER . 16249 1 20 . ALA . 16249 1 21 . ALA . 16249 1 22 . VAL . 16249 1 23 . SER . 16249 1 24 . VAL . 16249 1 25 . GLY . 16249 1 26 . GLY . 16249 1 27 . TYR . 16249 1 28 . GLY . 16249 1 29 . PRO . 16249 1 30 . GLN . 16249 1 31 . SER . 16249 1 32 . SER . 16249 1 33 . SER . 16249 1 34 . ALA . 16249 1 35 . PRO . 16249 1 36 . VAL . 16249 1 37 . ALA . 16249 1 38 . SER . 16249 1 39 . ALA . 16249 1 40 . ALA . 16249 1 41 . ALA . 16249 1 42 . SER . 16249 1 43 . ARG . 16249 1 44 . LEU . 16249 1 45 . SER . 16249 1 46 . SER . 16249 1 47 . PRO . 16249 1 48 . ALA . 16249 1 49 . ALA . 16249 1 50 . SER . 16249 1 51 . SER . 16249 1 52 . ARG . 16249 1 53 . VAL . 16249 1 54 . SER . 16249 1 55 . SER . 16249 1 56 . ALA . 16249 1 57 . VAL . 16249 1 58 . SER . 16249 1 59 . SER . 16249 1 60 . LEU . 16249 1 61 . VAL . 16249 1 62 . SER . 16249 1 63 . SER . 16249 1 64 . GLY . 16249 1 65 . PRO . 16249 1 66 . THR . 16249 1 67 . ASN . 16249 1 68 . GLN . 16249 1 69 . ALA . 16249 1 70 . ALA . 16249 1 71 . LEU . 16249 1 72 . SER . 16249 1 73 . ASN . 16249 1 74 . THR . 16249 1 75 . ILE . 16249 1 76 . SER . 16249 1 77 . SER . 16249 1 78 . VAL . 16249 1 79 . VAL . 16249 1 80 . SER . 16249 1 81 . GLN . 16249 1 82 . VAL . 16249 1 83 . SER . 16249 1 84 . ALA . 16249 1 85 . SER . 16249 1 86 . ASN . 16249 1 87 . PRO . 16249 1 88 . GLY . 16249 1 89 . LEU . 16249 1 90 . SER . 16249 1 91 . GLY . 16249 1 92 . CYS . 16249 1 93 . ASP . 16249 1 94 . VAL . 16249 1 95 . LEU . 16249 1 96 . VAL . 16249 1 97 . GLN . 16249 1 98 . ALA . 16249 1 99 . LEU . 16249 1 100 . LEU . 16249 1 101 . GLU . 16249 1 102 . VAL . 16249 1 103 . VAL . 16249 1 104 . SER . 16249 1 105 . ALA . 16249 1 106 . LEU . 16249 1 107 . VAL . 16249 1 108 . SER . 16249 1 109 . ILE . 16249 1 110 . LEU . 16249 1 111 . GLY . 16249 1 112 . SER . 16249 1 113 . SER . 16249 1 114 . SER . 16249 1 115 . ILE . 16249 1 116 . GLY . 16249 1 117 . GLN . 16249 1 118 . ILE . 16249 1 119 . ASN . 16249 1 120 . TYR . 16249 1 121 . GLY . 16249 1 122 . ALA . 16249 1 123 . SER . 16249 1 124 . ALA . 16249 1 125 . GLN . 16249 1 126 . TYR . 16249 1 127 . THR . 16249 1 128 . GLN . 16249 1 129 . MET . 16249 1 130 . VAL . 16249 1 131 . GLY . 16249 1 132 . GLN . 16249 1 133 . SER . 16249 1 134 . VAL . 16249 1 135 . ALA . 16249 1 136 . GLN . 16249 1 137 . ALA . 16249 1 138 . LEU . 16249 1 139 . ALA . 16249 1 140 . GLY . 16249 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 . MET 1 1 16249 1 . ALA 2 2 16249 1 . SER 3 3 16249 1 . MET 4 4 16249 1 . THR 5 5 16249 1 . GLY 6 6 16249 1 . GLY 7 7 16249 1 . GLN 8 8 16249 1 . GLN 9 9 16249 1 . MET 10 10 16249 1 . GLY 11 11 16249 1 . ARG 12 12 16249 1 . GLY 13 13 16249 1 . SER 14 14 16249 1 . MET 15 15 16249 1 . GLY 16 16 16249 1 . ALA 17 17 16249 1 . ALA 18 18 16249 1 . SER 19 19 16249 1 . ALA 20 20 16249 1 . ALA 21 21 16249 1 . VAL 22 22 16249 1 . SER 23 23 16249 1 . VAL 24 24 16249 1 . GLY 25 25 16249 1 . GLY 26 26 16249 1 . TYR 27 27 16249 1 . GLY 28 28 16249 1 . PRO 29 29 16249 1 . GLN 30 30 16249 1 . SER 31 31 16249 1 . SER 32 32 16249 1 . SER 33 33 16249 1 . ALA 34 34 16249 1 . PRO 35 35 16249 1 . VAL 36 36 16249 1 . ALA 37 37 16249 1 . SER 38 38 16249 1 . ALA 39 39 16249 1 . ALA 40 40 16249 1 . ALA 41 41 16249 1 . SER 42 42 16249 1 . ARG 43 43 16249 1 . LEU 44 44 16249 1 . SER 45 45 16249 1 . SER 46 46 16249 1 . PRO 47 47 16249 1 . ALA 48 48 16249 1 . ALA 49 49 16249 1 . SER 50 50 16249 1 . SER 51 51 16249 1 . ARG 52 52 16249 1 . VAL 53 53 16249 1 . SER 54 54 16249 1 . SER 55 55 16249 1 . ALA 56 56 16249 1 . VAL 57 57 16249 1 . SER 58 58 16249 1 . SER 59 59 16249 1 . LEU 60 60 16249 1 . VAL 61 61 16249 1 . SER 62 62 16249 1 . SER 63 63 16249 1 . GLY 64 64 16249 1 . PRO 65 65 16249 1 . THR 66 66 16249 1 . ASN 67 67 16249 1 . GLN 68 68 16249 1 . ALA 69 69 16249 1 . ALA 70 70 16249 1 . LEU 71 71 16249 1 . SER 72 72 16249 1 . ASN 73 73 16249 1 . THR 74 74 16249 1 . ILE 75 75 16249 1 . SER 76 76 16249 1 . SER 77 77 16249 1 . VAL 78 78 16249 1 . VAL 79 79 16249 1 . SER 80 80 16249 1 . GLN 81 81 16249 1 . VAL 82 82 16249 1 . SER 83 83 16249 1 . ALA 84 84 16249 1 . SER 85 85 16249 1 . ASN 86 86 16249 1 . PRO 87 87 16249 1 . GLY 88 88 16249 1 . LEU 89 89 16249 1 . SER 90 90 16249 1 . GLY 91 91 16249 1 . CYS 92 92 16249 1 . ASP 93 93 16249 1 . VAL 94 94 16249 1 . LEU 95 95 16249 1 . VAL 96 96 16249 1 . GLN 97 97 16249 1 . ALA 98 98 16249 1 . LEU 99 99 16249 1 . LEU 100 100 16249 1 . GLU 101 101 16249 1 . VAL 102 102 16249 1 . VAL 103 103 16249 1 . SER 104 104 16249 1 . ALA 105 105 16249 1 . LEU 106 106 16249 1 . VAL 107 107 16249 1 . SER 108 108 16249 1 . ILE 109 109 16249 1 . LEU 110 110 16249 1 . GLY 111 111 16249 1 . SER 112 112 16249 1 . SER 113 113 16249 1 . SER 114 114 16249 1 . ILE 115 115 16249 1 . GLY 116 116 16249 1 . GLN 117 117 16249 1 . ILE 118 118 16249 1 . ASN 119 119 16249 1 . TYR 120 120 16249 1 . GLY 121 121 16249 1 . ALA 122 122 16249 1 . SER 123 123 16249 1 . ALA 124 124 16249 1 . GLN 125 125 16249 1 . TYR 126 126 16249 1 . THR 127 127 16249 1 . GLN 128 128 16249 1 . MET 129 129 16249 1 . VAL 130 130 16249 1 . GLY 131 131 16249 1 . GLN 132 132 16249 1 . SER 133 133 16249 1 . VAL 134 134 16249 1 . ALA 135 135 16249 1 . GLN 136 136 16249 1 . ALA 137 137 16249 1 . LEU 138 138 16249 1 . ALA 139 139 16249 1 . GLY 140 140 16249 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 16249 _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 $NR3 . 45920 organism . 'Araneus Diadematus' spiders . . Eukaryota Metazoa Araneus Diadematus . . . . . . . . . . . . . . . . . . . . . 16249 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 16249 _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 $NR3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET28a . . . . . . 16249 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16249 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM NR3 in 10mM sodium phosphate pH6.0 1% trifluoroethanol' _Sample.Aggregate_sample_number 10 _Sample.Solvent_system '95% H2O/5% 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 NR3 '[U-99% 13C; U-99% 15N]' . . 1 $NR3 . . 1 0.5 1.3 mM . . . . 16249 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16249 1 3 trifluoroethanol 'natural abundance' . . . . . . 1 . . % . . . . 16249 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16249 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16249 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16249 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NR3 'natural abundance' . . 1 $NR3 . . . 0.6 1 mM . . . . 16249 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16249 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16249 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16249 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NR3 '[U-99% 13C; U-99% 15N]' . . 1 $NR3 . . 1 . . mM . . . . 16249 3 2 NR3 'natural abundance' . . 1 $NR3 . . 1 . . mM . . . . 16249 3 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16249 3 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16249 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16249 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 10 _Sample.Solvent_system '95% H2O/5% 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 NR3 '[U-99% 15N]' . . 1 $NR3 . . . 0.2 1 mM . . . . 16249 4 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16249 4 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16249 4 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 16249 _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' 0.02 . M 16249 1 pH 6.0 . pH 16249 1 pressure 1 . atm 16249 1 temperature 298 . K 16249 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16249 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16249 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16249 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16249 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16249 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16249 2 stop_ save_ save_PASTA _Software.Sf_category software _Software.Sf_framecode PASTA _Software.Entry_ID 16249 _Software.ID 3 _Software.Name PASTA _Software.Version 0.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kessler and Gemmecker' . . 16249 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16249 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16249 _Software.ID 4 _Software.Name TALOS _Software.Version 9.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16249 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16249 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16249 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16249 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16249 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16249 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16249 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16249 6 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 16249 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16249 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16249 _NMR_spectrometer.ID 3 _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 16249 _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 DMX . 600 'with cryogenic probe' . . 16249 1 2 spectrometer_2 Bruker DMX . 750 . . . 16249 1 3 spectrometer_3 Bruker Avance . 900 'with cryogenic probe' . . 16249 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 16249 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16249 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16249 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16249 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16249 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16249 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16249 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16249 1 10 '3D HNHA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16249 1 11 '3D HNHB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16249 1 12 '3D CCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16249 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16249 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 1 16 '3D CNH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 1 17 '3D NNH NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 1 18 '3D CCH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 1 19 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 1 20 'filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16249 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 16249 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced with DSS' 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 0.00 . indirect 0.251449530 . . . . . . . . . 16249 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16249 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16249 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 16249 _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 '2D 1H-15N HSQC' . . . 16249 1 2 '2D 1H-13C HSQC' . . . 16249 1 3 '3D HNCO' . . . 16249 1 4 '3D HNCA' . . . 16249 1 5 '3D HNCACB' . . . 16249 1 6 '3D CBCA(CO)NH' . . . 16249 1 7 '3D HN(CO)CA' . . . 16249 1 8 '3D HN(CA)CO' . . . 16249 1 9 '3D HCCH-TOCSY' . . . 16249 1 10 '3D HNHA' . . . 16249 1 11 '3D HNHB' . . . 16249 1 12 '3D CCH-COSY' . . . 16249 1 13 '3D C(CO)NH' . . . 16249 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 2 $SPARKY . . 16249 1 3 $PASTA . . 16249 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 ALA HA H 1 4.56 0.02 . 1 . . . . 2 ALA HA . 16249 1 2 . 1 1 2 2 ALA HB1 H 1 1.33 0.02 . 1 . . . . 2 ALA MB . 16249 1 3 . 1 1 2 2 ALA HB2 H 1 1.33 0.02 . 1 . . . . 2 ALA MB . 16249 1 4 . 1 1 2 2 ALA HB3 H 1 1.33 0.02 . 1 . . . . 2 ALA MB . 16249 1 5 . 1 1 2 2 ALA CA C 13 50.47 0.05 . 1 . . . . 2 ALA CA . 16249 1 6 . 1 1 2 2 ALA CB C 13 18.16 0.05 . 1 . . . . 2 ALA CB . 16249 1 7 . 1 1 3 3 SER H H 1 8.20 0.02 . 1 . . . . 3 SER H . 16249 1 8 . 1 1 3 3 SER N N 15 115.11 0.05 . 1 . . . . 3 SER N . 16249 1 9 . 1 1 4 4 MET H H 1 8.39 0.02 . 1 . . . . 4 MET H . 16249 1 10 . 1 1 4 4 MET HA H 1 4.57 0.02 . 1 . . . . 4 MET HA . 16249 1 11 . 1 1 4 4 MET HB2 H 1 2.10 0.02 . 2 . . . . 4 MET HB2 . 16249 1 12 . 1 1 4 4 MET HB3 H 1 1.99 0.02 . 2 . . . . 4 MET HB3 . 16249 1 13 . 1 1 4 4 MET HE1 H 1 2.05 0.02 . 1 . . . . 4 MET ME . 16249 1 14 . 1 1 4 4 MET HE2 H 1 2.05 0.02 . 1 . . . . 4 MET ME . 16249 1 15 . 1 1 4 4 MET HE3 H 1 2.05 0.02 . 1 . . . . 4 MET ME . 16249 1 16 . 1 1 4 4 MET HG2 H 1 2.59 0.02 . 2 . . . . 4 MET HG2 . 16249 1 17 . 1 1 4 4 MET HG3 H 1 2.52 0.02 . 2 . . . . 4 MET HG3 . 16249 1 18 . 1 1 4 4 MET CA C 13 55.66 0.05 . 1 . . . . 4 MET CA . 16249 1 19 . 1 1 4 4 MET CB C 13 33.02 0.05 . 1 . . . . 4 MET CB . 16249 1 20 . 1 1 4 4 MET CE C 13 16.98 0.05 . 1 . . . . 4 MET CE . 16249 1 21 . 1 1 4 4 MET CG C 13 32.30 0.05 . 1 . . . . 4 MET CG . 16249 1 22 . 1 1 4 4 MET N N 15 121.85 0.05 . 1 . . . . 4 MET N . 16249 1 23 . 1 1 5 5 THR H H 1 8.15 0.02 . 1 . . . . 5 THR H . 16249 1 24 . 1 1 5 5 THR HA H 1 4.35 0.02 . 1 . . . . 5 THR HA . 16249 1 25 . 1 1 5 5 THR HB H 1 4.21 0.02 . 1 . . . . 5 THR HB . 16249 1 26 . 1 1 5 5 THR C C 13 174.30 0.05 . 1 . . . . 5 THR C . 16249 1 27 . 1 1 5 5 THR CA C 13 61.92 0.05 . 1 . . . . 5 THR CA . 16249 1 28 . 1 1 5 5 THR CB C 13 69.90 0.05 . 1 . . . . 5 THR CB . 16249 1 29 . 1 1 5 5 THR CG2 C 13 21.52 0.05 . 1 . . . . 5 THR CG2 . 16249 1 30 . 1 1 5 5 THR N N 15 114.76 0.05 . 1 . . . . 5 THR N . 16249 1 31 . 1 1 6 6 GLY H H 1 8.37 0.02 . 1 . . . . 6 GLY H . 16249 1 32 . 1 1 6 6 GLY HA2 H 1 3.97 0.02 . 1 . . . . 6 GLY HA2 . 16249 1 33 . 1 1 6 6 GLY HA3 H 1 3.97 0.02 . 1 . . . . 6 GLY HA3 . 16249 1 34 . 1 1 6 6 GLY C C 13 174.81 0.05 . 1 . . . . 6 GLY C . 16249 1 35 . 1 1 6 6 GLY CA C 13 45.46 0.05 . 1 . . . . 6 GLY CA . 16249 1 36 . 1 1 6 6 GLY N N 15 111.19 0.05 . 1 . . . . 6 GLY N . 16249 1 37 . 1 1 7 7 GLY H H 1 8.25 0.02 . 1 . . . . 7 GLY H . 16249 1 38 . 1 1 7 7 GLY HA2 H 1 3.92 0.02 . 1 . . . . 7 GLY HA2 . 16249 1 39 . 1 1 7 7 GLY HA3 H 1 3.92 0.02 . 1 . . . . 7 GLY HA3 . 16249 1 40 . 1 1 7 7 GLY C C 13 174.39 0.05 . 1 . . . . 7 GLY C . 16249 1 41 . 1 1 7 7 GLY CA C 13 45.28 0.05 . 1 . . . . 7 GLY CA . 16249 1 42 . 1 1 7 7 GLY N N 15 108.51 0.05 . 1 . . . . 7 GLY N . 16249 1 43 . 1 1 8 8 GLN H H 1 8.25 0.02 . 1 . . . . 8 GLN H . 16249 1 44 . 1 1 8 8 GLN HA H 1 4.28 0.02 . 1 . . . . 8 GLN HA . 16249 1 45 . 1 1 8 8 GLN HB2 H 1 2.06 0.02 . 2 . . . . 8 GLN HB2 . 16249 1 46 . 1 1 8 8 GLN HB3 H 1 1.94 0.02 . 2 . . . . 8 GLN HB3 . 16249 1 47 . 1 1 8 8 GLN HG2 H 1 2.29 0.02 . 1 . . . . 8 GLN HG2 . 16249 1 48 . 1 1 8 8 GLN HG3 H 1 2.29 0.02 . 1 . . . . 8 GLN HG3 . 16249 1 49 . 1 1 8 8 GLN C C 13 176.20 0.05 . 1 . . . . 8 GLN C . 16249 1 50 . 1 1 8 8 GLN CA C 13 56.05 0.05 . 1 . . . . 8 GLN CA . 16249 1 51 . 1 1 8 8 GLN CB C 13 29.32 0.05 . 1 . . . . 8 GLN CB . 16249 1 52 . 1 1 8 8 GLN CG C 13 33.74 0.05 . 1 . . . . 8 GLN CG . 16249 1 53 . 1 1 8 8 GLN N N 15 119.71 0.05 . 1 . . . . 8 GLN N . 16249 1 54 . 1 1 9 9 GLN H H 1 8.44 0.02 . 1 . . . . 9 GLN H . 16249 1 55 . 1 1 9 9 GLN HA H 1 4.28 0.02 . 1 . . . . 9 GLN HA . 16249 1 56 . 1 1 9 9 GLN HB2 H 1 2.05 0.02 . 2 . . . . 9 GLN HB2 . 16249 1 57 . 1 1 9 9 GLN HB3 H 1 1.94 0.02 . 2 . . . . 9 GLN HB3 . 16249 1 58 . 1 1 9 9 GLN HG2 H 1 2.30 0.02 . 1 . . . . 9 GLN HG2 . 16249 1 59 . 1 1 9 9 GLN HG3 H 1 2.30 0.02 . 1 . . . . 9 GLN HG3 . 16249 1 60 . 1 1 9 9 GLN C C 13 176.07 0.05 . 1 . . . . 9 GLN C . 16249 1 61 . 1 1 9 9 GLN CA C 13 55.92 0.05 . 1 . . . . 9 GLN CA . 16249 1 62 . 1 1 9 9 GLN CB C 13 29.14 0.05 . 1 . . . . 9 GLN CB . 16249 1 63 . 1 1 9 9 GLN CG C 13 33.59 0.05 . 1 . . . . 9 GLN CG . 16249 1 64 . 1 1 9 9 GLN N N 15 121.20 0.05 . 1 . . . . 9 GLN N . 16249 1 65 . 1 1 10 10 MET H H 1 8.37 0.02 . 1 . . . . 10 MET H . 16249 1 66 . 1 1 10 10 MET HA H 1 4.45 0.02 . 1 . . . . 10 MET HA . 16249 1 67 . 1 1 10 10 MET HB2 H 1 2.07 0.02 . 2 . . . . 10 MET HB2 . 16249 1 68 . 1 1 10 10 MET HB3 H 1 1.98 0.02 . 2 . . . . 10 MET HB3 . 16249 1 69 . 1 1 10 10 MET HE1 H 1 2.05 0.02 . . . . . . 10 MET ME . 16249 1 70 . 1 1 10 10 MET HE2 H 1 2.05 0.02 . . . . . . 10 MET ME . 16249 1 71 . 1 1 10 10 MET HE3 H 1 2.05 0.02 . . . . . . 10 MET ME . 16249 1 72 . 1 1 10 10 MET HG2 H 1 2.58 0.02 . 2 . . . . 10 MET HG2 . 16249 1 73 . 1 1 10 10 MET HG3 H 1 2.50 0.02 . 2 . . . . 10 MET HG3 . 16249 1 74 . 1 1 10 10 MET C C 13 176.77 0.05 . 1 . . . . 10 MET C . 16249 1 75 . 1 1 10 10 MET CA C 13 55.57 0.05 . 1 . . . . 10 MET CA . 16249 1 76 . 1 1 10 10 MET CB C 13 32.76 0.05 . 1 . . . . 10 MET CB . 16249 1 77 . 1 1 10 10 MET CE C 13 16.98 0.05 . 1 . . . . 10 MET CE . 16249 1 78 . 1 1 10 10 MET CG C 13 32.08 0.05 . 1 . . . . 10 MET CG . 16249 1 79 . 1 1 10 10 MET N N 15 121.40 0.05 . 1 . . . . 10 MET N . 16249 1 80 . 1 1 11 11 GLY H H 1 8.39 0.02 . 1 . . . . 11 GLY H . 16249 1 81 . 1 1 11 11 GLY HA2 H 1 3.93 0.02 . 1 . . . . 11 GLY HA2 . 16249 1 82 . 1 1 11 11 GLY HA3 H 1 3.93 0.02 . 1 . . . . 11 GLY HA3 . 16249 1 83 . 1 1 11 11 GLY C C 13 174.30 0.05 . 1 . . . . 11 GLY C . 16249 1 84 . 1 1 11 11 GLY CA C 13 45.37 0.05 . 1 . . . . 11 GLY CA . 16249 1 85 . 1 1 11 11 GLY N N 15 109.96 0.05 . 1 . . . . 11 GLY N . 16249 1 86 . 1 1 12 12 ARG H H 1 8.22 0.02 . 1 . . . . 12 ARG H . 16249 1 87 . 1 1 12 12 ARG HA H 1 4.31 0.02 . 1 . . . . 12 ARG HA . 16249 1 88 . 1 1 12 12 ARG HB2 H 1 1.86 0.02 . 2 . . . . 12 ARG HB2 . 16249 1 89 . 1 1 12 12 ARG HB3 H 1 1.72 0.02 . 2 . . . . 12 ARG HB3 . 16249 1 90 . 1 1 12 12 ARG HD2 H 1 3.16 0.02 . 1 . . . . 12 ARG HD2 . 16249 1 91 . 1 1 12 12 ARG HD3 H 1 3.16 0.02 . 1 . . . . 12 ARG HD3 . 16249 1 92 . 1 1 12 12 ARG HG2 H 1 1.62 0.02 . 2 . . . . 12 ARG HG2 . 16249 1 93 . 1 1 12 12 ARG HG3 H 1 1.57 0.02 . 2 . . . . 12 ARG HG3 . 16249 1 94 . 1 1 12 12 ARG C C 13 177.10 0.05 . 1 . . . . 12 ARG C . 16249 1 95 . 1 1 12 12 ARG CA C 13 56.33 0.05 . 1 . . . . 12 ARG CA . 16249 1 96 . 1 1 12 12 ARG CB C 13 30.74 0.05 . 1 . . . . 12 ARG CB . 16249 1 97 . 1 1 12 12 ARG CD C 13 43.60 0.05 . 1 . . . . 12 ARG CD . 16249 1 98 . 1 1 12 12 ARG CG C 13 27.07 0.05 . 1 . . . . 12 ARG CG . 16249 1 99 . 1 1 12 12 ARG N N 15 120.54 0.05 . 1 . . . . 12 ARG N . 16249 1 100 . 1 1 13 13 GLY H H 1 8.44 0.02 . 1 . . . . 13 GLY H . 16249 1 101 . 1 1 13 13 GLY HA2 H 1 3.96 0.02 . 1 . . . . 13 GLY HA2 . 16249 1 102 . 1 1 13 13 GLY HA3 H 1 3.96 0.02 . 1 . . . . 13 GLY HA3 . 16249 1 103 . 1 1 13 13 GLY C C 13 174.30 0.05 . 1 . . . . 13 GLY C . 16249 1 104 . 1 1 13 13 GLY CA C 13 45.35 0.05 . 1 . . . . 13 GLY CA . 16249 1 105 . 1 1 13 13 GLY N N 15 109.78 0.05 . 1 . . . . 13 GLY N . 16249 1 106 . 1 1 14 14 SER H H 1 8.19 0.02 . 1 . . . . 14 SER H . 16249 1 107 . 1 1 14 14 SER HA H 1 4.37 0.02 . 1 . . . . 14 SER HA . 16249 1 108 . 1 1 14 14 SER HB2 H 1 3.81 0.02 . 1 . . . . 14 SER HB2 . 16249 1 109 . 1 1 14 14 SER HB3 H 1 3.81 0.02 . 1 . . . . 14 SER HB3 . 16249 1 110 . 1 1 14 14 SER C C 13 174.88 0.05 . 1 . . . . 14 SER C . 16249 1 111 . 1 1 14 14 SER CA C 13 58.47 0.05 . 1 . . . . 14 SER CA . 16249 1 112 . 1 1 14 14 SER CB C 13 63.91 0.05 . 1 . . . . 14 SER CB . 16249 1 113 . 1 1 14 14 SER N N 15 115.65 0.05 . 1 . . . . 14 SER N . 16249 1 114 . 1 1 15 15 MET H H 1 8.37 0.02 . 1 . . . . 15 MET H . 16249 1 115 . 1 1 15 15 MET HA H 1 4.46 0.02 . 1 . . . . 15 MET HA . 16249 1 116 . 1 1 15 15 MET HB2 H 1 2.09 0.02 . 2 . . . . 15 MET HB2 . 16249 1 117 . 1 1 15 15 MET HB3 H 1 2.00 0.02 . 2 . . . . 15 MET HB3 . 16249 1 118 . 1 1 15 15 MET HE1 H 1 2.05 0.02 . 1 . . . . 15 MET ME . 16249 1 119 . 1 1 15 15 MET HE2 H 1 2.05 0.02 . 1 . . . . 15 MET ME . 16249 1 120 . 1 1 15 15 MET HE3 H 1 2.05 0.02 . 1 . . . . 15 MET ME . 16249 1 121 . 1 1 15 15 MET HG2 H 1 2.59 0.02 . 2 . . . . 15 MET HG2 . 16249 1 122 . 1 1 15 15 MET HG3 H 1 2.52 0.02 . 2 . . . . 15 MET HG3 . 16249 1 123 . 1 1 15 15 MET C C 13 176.78 0.05 . 1 . . . . 15 MET C . 16249 1 124 . 1 1 15 15 MET CA C 13 55.77 0.05 . 1 . . . . 15 MET CA . 16249 1 125 . 1 1 15 15 MET CB C 13 32.72 0.05 . 1 . . . . 15 MET CB . 16249 1 126 . 1 1 15 15 MET CE C 13 16.98 0.05 . 1 . . . . 15 MET CE . 16249 1 127 . 1 1 15 15 MET CG C 13 32.08 0.05 . 1 . . . . 15 MET CG . 16249 1 128 . 1 1 15 15 MET N N 15 121.58 0.05 . 1 . . . . 15 MET N . 16249 1 129 . 1 1 16 16 GLY H H 1 8.30 0.02 . 1 . . . . 16 GLY H . 16249 1 130 . 1 1 16 16 GLY HA2 H 1 3.88 0.02 . 1 . . . . 16 GLY HA2 . 16249 1 131 . 1 1 16 16 GLY HA3 H 1 3.88 0.02 . 1 . . . . 16 GLY HA3 . 16249 1 132 . 1 1 16 16 GLY C C 13 173.91 0.05 . 1 . . . . 16 GLY C . 16249 1 133 . 1 1 16 16 GLY CA C 13 45.28 0.05 . 1 . . . . 16 GLY CA . 16249 1 134 . 1 1 16 16 GLY N N 15 109.73 0.05 . 1 . . . . 16 GLY N . 16249 1 135 . 1 1 17 17 ALA H H 1 8.10 0.02 . 1 . . . . 17 ALA H . 16249 1 136 . 1 1 17 17 ALA HA H 1 4.28 0.02 . 1 . . . . 17 ALA HA . 16249 1 137 . 1 1 17 17 ALA HB1 H 1 1.35 0.02 . 1 . . . . 17 ALA MB . 16249 1 138 . 1 1 17 17 ALA HB2 H 1 1.35 0.02 . 1 . . . . 17 ALA MB . 16249 1 139 . 1 1 17 17 ALA HB3 H 1 1.35 0.02 . 1 . . . . 17 ALA MB . 16249 1 140 . 1 1 17 17 ALA C C 13 177.80 0.05 . 1 . . . . 17 ALA C . 16249 1 141 . 1 1 17 17 ALA CA C 13 52.48 0.05 . 1 . . . . 17 ALA CA . 16249 1 142 . 1 1 17 17 ALA CB C 13 19.33 0.05 . 1 . . . . 17 ALA CB . 16249 1 143 . 1 1 17 17 ALA N N 15 123.88 0.05 . 1 . . . . 17 ALA N . 16249 1 144 . 1 1 18 18 ALA H H 1 8.25 0.02 . 1 . . . . 18 ALA H . 16249 1 145 . 1 1 18 18 ALA HA H 1 4.28 0.02 . 1 . . . . 18 ALA HA . 16249 1 146 . 1 1 18 18 ALA HB1 H 1 1.38 0.02 . 1 . . . . 18 ALA MB . 16249 1 147 . 1 1 18 18 ALA HB2 H 1 1.38 0.02 . 1 . . . . 18 ALA MB . 16249 1 148 . 1 1 18 18 ALA HB3 H 1 1.38 0.02 . 1 . . . . 18 ALA MB . 16249 1 149 . 1 1 18 18 ALA C C 13 177.96 0.05 . 1 . . . . 18 ALA C . 16249 1 150 . 1 1 18 18 ALA CA C 13 52.63 0.05 . 1 . . . . 18 ALA CA . 16249 1 151 . 1 1 18 18 ALA CB C 13 19.08 0.05 . 1 . . . . 18 ALA CB . 16249 1 152 . 1 1 18 18 ALA N N 15 123.08 0.05 . 1 . . . . 18 ALA N . 16249 1 153 . 1 1 19 19 SER H H 1 8.10 0.02 . 1 . . . . 19 SER H . 16249 1 154 . 1 1 19 19 SER HA H 1 4.35 0.02 . 1 . . . . 19 SER HA . 16249 1 155 . 1 1 19 19 SER HB2 H 1 3.84 0.02 . 1 . . . . 19 SER HB2 . 16249 1 156 . 1 1 19 19 SER HB3 H 1 3.84 0.02 . 1 . . . . 19 SER HB3 . 16249 1 157 . 1 1 19 19 SER C C 13 174.35 0.05 . 1 . . . . 19 SER C . 16249 1 158 . 1 1 19 19 SER CA C 13 58.35 0.05 . 1 . . . . 19 SER CA . 16249 1 159 . 1 1 19 19 SER CB C 13 63.81 0.05 . 1 . . . . 19 SER CB . 16249 1 160 . 1 1 19 19 SER N N 15 114.61 0.05 . 1 . . . . 19 SER N . 16249 1 161 . 1 1 20 20 ALA H H 1 8.17 0.02 . 1 . . . . 20 ALA H . 16249 1 162 . 1 1 20 20 ALA HA H 1 4.26 0.02 . 1 . . . . 20 ALA HA . 16249 1 163 . 1 1 20 20 ALA HB1 H 1 1.34 0.02 . 1 . . . . 20 ALA MB . 16249 1 164 . 1 1 20 20 ALA HB2 H 1 1.34 0.02 . 1 . . . . 20 ALA MB . 16249 1 165 . 1 1 20 20 ALA HB3 H 1 1.34 0.02 . 1 . . . . 20 ALA MB . 16249 1 166 . 1 1 20 20 ALA C C 13 177.34 0.05 . 1 . . . . 20 ALA C . 16249 1 167 . 1 1 20 20 ALA CA C 13 52.44 0.05 . 1 . . . . 20 ALA CA . 16249 1 168 . 1 1 20 20 ALA CB C 13 19.31 0.05 . 1 . . . . 20 ALA CB . 16249 1 169 . 1 1 20 20 ALA N N 15 125.65 0.05 . 1 . . . . 20 ALA N . 16249 1 170 . 1 1 21 21 ALA H H 1 8.11 0.02 . 1 . . . . 21 ALA H . 16249 1 171 . 1 1 21 21 ALA HA H 1 4.29 0.02 . 1 . . . . 21 ALA HA . 16249 1 172 . 1 1 21 21 ALA HB1 H 1 1.33 0.02 . 1 . . . . 21 ALA MB . 16249 1 173 . 1 1 21 21 ALA HB2 H 1 1.33 0.02 . 1 . . . . 21 ALA MB . 16249 1 174 . 1 1 21 21 ALA HB3 H 1 1.33 0.02 . 1 . . . . 21 ALA MB . 16249 1 175 . 1 1 21 21 ALA C C 13 177.74 0.05 . 1 . . . . 21 ALA C . 16249 1 176 . 1 1 21 21 ALA CA C 13 52.65 0.05 . 1 . . . . 21 ALA CA . 16249 1 177 . 1 1 21 21 ALA CB C 13 19.14 0.05 . 1 . . . . 21 ALA CB . 16249 1 178 . 1 1 21 21 ALA N N 15 122.95 0.05 . 1 . . . . 21 ALA N . 16249 1 179 . 1 1 22 22 VAL H H 1 7.94 0.02 . 1 . . . . 22 VAL H . 16249 1 180 . 1 1 22 22 VAL HA H 1 4.10 0.02 . 1 . . . . 22 VAL HA . 16249 1 181 . 1 1 22 22 VAL HB H 1 2.02 0.02 . 1 . . . . 22 VAL HB . 16249 1 182 . 1 1 22 22 VAL HG11 H 1 0.90 0.02 . 1 . . . . 22 VAL MG1 . 16249 1 183 . 1 1 22 22 VAL HG12 H 1 0.90 0.02 . 1 . . . . 22 VAL MG1 . 16249 1 184 . 1 1 22 22 VAL HG13 H 1 0.90 0.02 . 1 . . . . 22 VAL MG1 . 16249 1 185 . 1 1 22 22 VAL HG21 H 1 0.90 0.02 . 1 . . . . 22 VAL MG2 . 16249 1 186 . 1 1 22 22 VAL HG22 H 1 0.90 0.02 . 1 . . . . 22 VAL MG2 . 16249 1 187 . 1 1 22 22 VAL HG23 H 1 0.90 0.02 . 1 . . . . 22 VAL MG2 . 16249 1 188 . 1 1 22 22 VAL C C 13 176.17 0.05 . 1 . . . . 22 VAL C . 16249 1 189 . 1 1 22 22 VAL CA C 13 62.25 0.05 . 1 . . . . 22 VAL CA . 16249 1 190 . 1 1 22 22 VAL CB C 13 32.88 0.05 . 1 . . . . 22 VAL CB . 16249 1 191 . 1 1 22 22 VAL CG1 C 13 21.31 0.05 . 1 . . . . 22 VAL CG1 . 16249 1 192 . 1 1 22 22 VAL CG2 C 13 20.41 0.05 . 1 . . . . 22 VAL CG2 . 16249 1 193 . 1 1 22 22 VAL N N 15 118.60 0.05 . 1 . . . . 22 VAL N . 16249 1 194 . 1 1 23 23 SER H H 1 8.27 0.02 . 1 . . . . 23 SER H . 16249 1 195 . 1 1 23 23 SER HA H 1 4.47 0.02 . 1 . . . . 23 SER HA . 16249 1 196 . 1 1 23 23 SER HB2 H 1 3.81 0.02 . 1 . . . . 23 SER HB2 . 16249 1 197 . 1 1 23 23 SER HB3 H 1 3.81 0.02 . 1 . . . . 23 SER HB3 . 16249 1 198 . 1 1 23 23 SER C C 13 174.59 0.05 . 1 . . . . 23 SER C . 16249 1 199 . 1 1 23 23 SER CA C 13 58.06 0.05 . 1 . . . . 23 SER CA . 16249 1 200 . 1 1 23 23 SER CB C 13 63.80 0.05 . 1 . . . . 23 SER CB . 16249 1 201 . 1 1 23 23 SER N N 15 119.26 0.05 . 1 . . . . 23 SER N . 16249 1 202 . 1 1 24 24 VAL H H 1 8.16 0.02 . 1 . . . . 24 VAL H . 16249 1 203 . 1 1 24 24 VAL HA H 1 4.13 0.02 . 1 . . . . 24 VAL HA . 16249 1 204 . 1 1 24 24 VAL HB H 1 2.06 0.02 . 1 . . . . 24 VAL HB . 16249 1 205 . 1 1 24 24 VAL HG11 H 1 0.90 0.02 . 1 . . . . 24 VAL MG1 . 16249 1 206 . 1 1 24 24 VAL HG12 H 1 0.90 0.02 . 1 . . . . 24 VAL MG1 . 16249 1 207 . 1 1 24 24 VAL HG13 H 1 0.90 0.02 . 1 . . . . 24 VAL MG1 . 16249 1 208 . 1 1 24 24 VAL HG21 H 1 0.90 0.02 . 1 . . . . 24 VAL MG2 . 16249 1 209 . 1 1 24 24 VAL HG22 H 1 0.90 0.02 . 1 . . . . 24 VAL MG2 . 16249 1 210 . 1 1 24 24 VAL HG23 H 1 0.90 0.02 . 1 . . . . 24 VAL MG2 . 16249 1 211 . 1 1 24 24 VAL C C 13 176.68 0.05 . 1 . . . . 24 VAL C . 16249 1 212 . 1 1 24 24 VAL CA C 13 62.47 0.05 . 1 . . . . 24 VAL CA . 16249 1 213 . 1 1 24 24 VAL CB C 13 32.86 0.05 . 1 . . . . 24 VAL CB . 16249 1 214 . 1 1 24 24 VAL CG1 C 13 21.06 0.05 . 1 . . . . 24 VAL CG1 . 16249 1 215 . 1 1 24 24 VAL CG2 C 13 20.42 0.05 . 1 . . . . 24 VAL CG2 . 16249 1 216 . 1 1 24 24 VAL N N 15 121.72 0.05 . 1 . . . . 24 VAL N . 16249 1 217 . 1 1 25 25 GLY H H 1 8.37 0.02 . 1 . . . . 25 GLY H . 16249 1 218 . 1 1 25 25 GLY HA2 H 1 3.91 0.02 . 1 . . . . 25 GLY HA2 . 16249 1 219 . 1 1 25 25 GLY HA3 H 1 3.91 0.02 . 1 . . . . 25 GLY HA3 . 16249 1 220 . 1 1 25 25 GLY C C 13 174.45 0.05 . 1 . . . . 25 GLY C . 16249 1 221 . 1 1 25 25 GLY CA C 13 45.26 0.05 . 1 . . . . 25 GLY CA . 16249 1 222 . 1 1 25 25 GLY N N 15 111.95 0.05 . 1 . . . . 25 GLY N . 16249 1 223 . 1 1 26 26 GLY H H 1 8.10 0.02 . 1 . . . . 26 GLY H . 16249 1 224 . 1 1 26 26 GLY HA2 H 1 3.84 0.02 . 1 . . . . 26 GLY HA2 . 16249 1 225 . 1 1 26 26 GLY HA3 H 1 3.84 0.02 . 1 . . . . 26 GLY HA3 . 16249 1 226 . 1 1 26 26 GLY C C 13 173.78 0.05 . 1 . . . . 26 GLY C . 16249 1 227 . 1 1 26 26 GLY CA C 13 45.12 0.05 . 1 . . . . 26 GLY CA . 16249 1 228 . 1 1 26 26 GLY N N 15 108.32 0.05 . 1 . . . . 26 GLY N . 16249 1 229 . 1 1 27 27 TYR H H 1 8.04 0.02 . 1 . . . . 27 TYR H . 16249 1 230 . 1 1 27 27 TYR HA H 1 4.60 0.02 . 1 . . . . 27 TYR HA . 16249 1 231 . 1 1 27 27 TYR HB2 H 1 2.88 0.02 . 1 . . . . 27 TYR HB2 . 16249 1 232 . 1 1 27 27 TYR HB3 H 1 3.08 0.02 . 1 . . . . 27 TYR HB3 . 16249 1 233 . 1 1 27 27 TYR HD1 H 1 7.05 0.02 . 1 . . . . 27 TYR HD1 . 16249 1 234 . 1 1 27 27 TYR HD2 H 1 7.05 0.02 . 1 . . . . 27 TYR HD2 . 16249 1 235 . 1 1 27 27 TYR HE1 H 1 6.75 0.02 . 1 . . . . 27 TYR HE1 . 16249 1 236 . 1 1 27 27 TYR HE2 H 1 6.75 0.02 . 1 . . . . 27 TYR HE2 . 16249 1 237 . 1 1 27 27 TYR HH H 1 10.87 0.02 . 1 . . . . 27 TYR HH . 16249 1 238 . 1 1 27 27 TYR C C 13 176.04 0.05 . 1 . . . . 27 TYR C . 16249 1 239 . 1 1 27 27 TYR CA C 13 57.72 0.05 . 1 . . . . 27 TYR CA . 16249 1 240 . 1 1 27 27 TYR CB C 13 39.15 0.05 . 1 . . . . 27 TYR CB . 16249 1 241 . 1 1 27 27 TYR CD1 C 13 133.30 0.05 . 1 . . . . 27 TYR CD1 . 16249 1 242 . 1 1 27 27 TYR CD2 C 13 133.30 0.05 . 1 . . . . 27 TYR CD2 . 16249 1 243 . 1 1 27 27 TYR CE1 C 13 118.30 0.05 . 1 . . . . 27 TYR CE1 . 16249 1 244 . 1 1 27 27 TYR CE2 C 13 118.30 0.05 . 1 . . . . 27 TYR CE2 . 16249 1 245 . 1 1 27 27 TYR N N 15 119.49 0.05 . 1 . . . . 27 TYR N . 16249 1 246 . 1 1 28 28 GLY H H 1 8.21 0.02 . 1 . . . . 28 GLY H . 16249 1 247 . 1 1 28 28 GLY HA2 H 1 4.06 0.02 . 1 . . . . 28 GLY HA2 . 16249 1 248 . 1 1 28 28 GLY HA3 H 1 4.06 0.02 . 1 . . . . 28 GLY HA3 . 16249 1 249 . 1 1 28 28 GLY CA C 13 44.75 0.05 . 1 . . . . 28 GLY CA . 16249 1 250 . 1 1 28 28 GLY N N 15 110.51 0.05 . 1 . . . . 28 GLY N . 16249 1 251 . 1 1 29 29 PRO HA H 1 4.39 0.02 . 1 . . . . 29 PRO HA . 16249 1 252 . 1 1 29 29 PRO HB2 H 1 1.94 0.02 . 1 . . . . 29 PRO HB2 . 16249 1 253 . 1 1 29 29 PRO HB3 H 1 2.28 0.02 . 1 . . . . 29 PRO HB3 . 16249 1 254 . 1 1 29 29 PRO HD2 H 1 3.61 0.02 . 2 . . . . 29 PRO HD2 . 16249 1 255 . 1 1 29 29 PRO HD3 H 1 3.58 0.02 . 2 . . . . 29 PRO HD3 . 16249 1 256 . 1 1 29 29 PRO HG2 H 1 2.01 0.02 . 2 . . . . 29 PRO HG2 . 16249 1 257 . 1 1 29 29 PRO HG3 H 1 1.97 0.02 . 2 . . . . 29 PRO HG3 . 16249 1 258 . 1 1 29 29 PRO CA C 13 63.71 0.05 . 1 . . . . 29 PRO CA . 16249 1 259 . 1 1 29 29 PRO CB C 13 32.08 0.05 . 1 . . . . 29 PRO CB . 16249 1 260 . 1 1 29 29 PRO CD C 13 49.95 0.05 . 1 . . . . 29 PRO CD . 16249 1 261 . 1 1 29 29 PRO CG C 13 27.40 0.05 . 1 . . . . 29 PRO CG . 16249 1 262 . 1 1 30 30 GLN H H 1 8.54 0.02 . 1 . . . . 30 GLN H . 16249 1 263 . 1 1 30 30 GLN HA H 1 4.30 0.02 . 1 . . . . 30 GLN HA . 16249 1 264 . 1 1 30 30 GLN HB2 H 1 1.94 0.02 . 1 . . . . 30 GLN HB2 . 16249 1 265 . 1 1 30 30 GLN HB3 H 1 2.11 0.02 . 1 . . . . 30 GLN HB3 . 16249 1 266 . 1 1 30 30 GLN HE21 H 1 7.40 0.02 . 1 . . . . 30 GLN HE21 . 16249 1 267 . 1 1 30 30 GLN HE22 H 1 6.73 0.02 . 1 . . . . 30 GLN HE22 . 16249 1 268 . 1 1 30 30 GLN HG2 H 1 2.36 0.02 . 1 . . . . 30 GLN HG2 . 16249 1 269 . 1 1 30 30 GLN HG3 H 1 2.36 0.02 . 1 . . . . 30 GLN HG3 . 16249 1 270 . 1 1 30 30 GLN C C 13 176.36 0.05 . 1 . . . . 30 GLN C . 16249 1 271 . 1 1 30 30 GLN CA C 13 56.16 0.05 . 1 . . . . 30 GLN CA . 16249 1 272 . 1 1 30 30 GLN CB C 13 29.14 0.05 . 1 . . . . 30 GLN CB . 16249 1 273 . 1 1 30 30 GLN CD C 13 180.80 0.05 . 1 . . . . 30 GLN CD . 16249 1 274 . 1 1 30 30 GLN CG C 13 33.70 0.05 . 1 . . . . 30 GLN CG . 16249 1 275 . 1 1 30 30 GLN N N 15 119.55 0.05 . 1 . . . . 30 GLN N . 16249 1 276 . 1 1 30 30 GLN NE2 N 15 112.22 0.05 . 1 . . . . 30 GLN NE2 . 16249 1 277 . 1 1 31 31 SER H H 1 8.24 0.02 . 1 . . . . 31 SER H . 16249 1 278 . 1 1 31 31 SER HA H 1 4.41 0.02 . 1 . . . . 31 SER HA . 16249 1 279 . 1 1 31 31 SER HB2 H 1 3.84 0.02 . 1 . . . . 31 SER HB2 . 16249 1 280 . 1 1 31 31 SER HB3 H 1 3.95 0.02 . 1 . . . . 31 SER HB3 . 16249 1 281 . 1 1 31 31 SER CA C 13 58.27 0.05 . 1 . . . . 31 SER CA . 16249 1 282 . 1 1 31 31 SER CB C 13 63.94 0.05 . 1 . . . . 31 SER CB . 16249 1 283 . 1 1 31 31 SER N N 15 116.27 0.05 . 1 . . . . 31 SER N . 16249 1 284 . 1 1 32 32 SER H H 1 8.48 0.02 . 1 . . . . 32 SER H . 16249 1 285 . 1 1 32 32 SER HA H 1 4.46 0.02 . 1 . . . . 32 SER HA . 16249 1 286 . 1 1 32 32 SER HB2 H 1 3.96 0.02 . 2 . . . . 32 SER HB2 . 16249 1 287 . 1 1 32 32 SER HB3 H 1 3.86 0.02 . 2 . . . . 32 SER HB3 . 16249 1 288 . 1 1 32 32 SER CA C 13 59.02 0.05 . 1 . . . . 32 SER CA . 16249 1 289 . 1 1 32 32 SER CB C 13 63.85 0.05 . 1 . . . . 32 SER CB . 16249 1 290 . 1 1 32 32 SER N N 15 118.10 0.05 . 1 . . . . 32 SER N . 16249 1 291 . 1 1 33 33 SER H H 1 8.45 0.02 . 1 . . . . 33 SER H . 16249 1 292 . 1 1 33 33 SER HA H 1 4.18 0.02 . 1 . . . . 33 SER HA . 16249 1 293 . 1 1 33 33 SER HB2 H 1 3.81 0.02 . 1 . . . . 33 SER HB2 . 16249 1 294 . 1 1 33 33 SER HB3 H 1 3.73 0.02 . 1 . . . . 33 SER HB3 . 16249 1 295 . 1 1 33 33 SER C C 13 174.56 0.05 . 1 . . . . 33 SER C . 16249 1 296 . 1 1 33 33 SER CA C 13 60.04 0.05 . 1 . . . . 33 SER CA . 16249 1 297 . 1 1 33 33 SER CB C 13 64.04 0.05 . 1 . . . . 33 SER CB . 16249 1 298 . 1 1 33 33 SER N N 15 117.67 0.05 . 1 . . . . 33 SER N . 16249 1 299 . 1 1 34 34 ALA H H 1 8.11 0.02 . 1 . . . . 34 ALA H . 16249 1 300 . 1 1 34 34 ALA HA H 1 4.19 0.02 . 1 . . . . 34 ALA HA . 16249 1 301 . 1 1 34 34 ALA HB1 H 1 1.45 0.02 . 1 . . . . 34 ALA MB . 16249 1 302 . 1 1 34 34 ALA HB2 H 1 1.45 0.02 . 1 . . . . 34 ALA MB . 16249 1 303 . 1 1 34 34 ALA HB3 H 1 1.45 0.02 . 1 . . . . 34 ALA MB . 16249 1 304 . 1 1 34 34 ALA CA C 13 56.06 0.05 . 1 . . . . 34 ALA CA . 16249 1 305 . 1 1 34 34 ALA CB C 13 16.75 0.05 . 1 . . . . 34 ALA CB . 16249 1 306 . 1 1 34 34 ALA N N 15 125.18 0.05 . 1 . . . . 34 ALA N . 16249 1 307 . 1 1 35 35 PRO HA H 1 4.37 0.02 . 1 . . . . 35 PRO HA . 16249 1 308 . 1 1 35 35 PRO HB2 H 1 1.86 0.02 . 1 . . . . 35 PRO HB2 . 16249 1 309 . 1 1 35 35 PRO HB3 H 1 2.31 0.02 . 1 . . . . 35 PRO HB3 . 16249 1 310 . 1 1 35 35 PRO HD2 H 1 3.67 0.02 . 2 . . . . 35 PRO HD2 . 16249 1 311 . 1 1 35 35 PRO HD3 H 1 3.64 0.02 . 2 . . . . 35 PRO HD3 . 16249 1 312 . 1 1 35 35 PRO HG2 H 1 2.06 0.02 . 2 . . . . 35 PRO HG2 . 16249 1 313 . 1 1 35 35 PRO HG3 H 1 2.01 0.02 . 2 . . . . 35 PRO HG3 . 16249 1 314 . 1 1 35 35 PRO CA C 13 65.46 0.05 . 1 . . . . 35 PRO CA . 16249 1 315 . 1 1 35 35 PRO CB C 13 31.27 0.05 . 1 . . . . 35 PRO CB . 16249 1 316 . 1 1 35 35 PRO CD C 13 50.33 0.05 . 1 . . . . 35 PRO CD . 16249 1 317 . 1 1 35 35 PRO CG C 13 28.13 0.05 . 1 . . . . 35 PRO CG . 16249 1 318 . 1 1 36 36 VAL H H 1 7.06 0.02 . 1 . . . . 36 VAL H . 16249 1 319 . 1 1 36 36 VAL HA H 1 3.77 0.02 . 1 . . . . 36 VAL HA . 16249 1 320 . 1 1 36 36 VAL HB H 1 2.02 0.02 . 1 . . . . 36 VAL HB . 16249 1 321 . 1 1 36 36 VAL HG11 H 1 0.92 0.02 . 2 . . . . 36 VAL MG1 . 16249 1 322 . 1 1 36 36 VAL HG12 H 1 0.92 0.02 . 2 . . . . 36 VAL MG1 . 16249 1 323 . 1 1 36 36 VAL HG13 H 1 0.92 0.02 . 2 . . . . 36 VAL MG1 . 16249 1 324 . 1 1 36 36 VAL HG21 H 1 0.92 0.02 . 2 . . . . 36 VAL MG2 . 16249 1 325 . 1 1 36 36 VAL HG22 H 1 0.92 0.02 . 2 . . . . 36 VAL MG2 . 16249 1 326 . 1 1 36 36 VAL HG23 H 1 0.92 0.02 . 2 . . . . 36 VAL MG2 . 16249 1 327 . 1 1 36 36 VAL C C 13 178.41 0.05 . 1 . . . . 36 VAL C . 16249 1 328 . 1 1 36 36 VAL CA C 13 64.70 0.05 . 1 . . . . 36 VAL CA . 16249 1 329 . 1 1 36 36 VAL CB C 13 31.78 0.05 . 1 . . . . 36 VAL CB . 16249 1 330 . 1 1 36 36 VAL CG1 C 13 21.72 0.05 . 1 . . . . 36 VAL CG1 . 16249 1 331 . 1 1 36 36 VAL CG2 C 13 21.72 0.05 . 1 . . . . 36 VAL CG2 . 16249 1 332 . 1 1 36 36 VAL N N 15 118.06 0.05 . 1 . . . . 36 VAL N . 16249 1 333 . 1 1 37 37 ALA H H 1 8.03 0.02 . 1 . . . . 37 ALA H . 16249 1 334 . 1 1 37 37 ALA HA H 1 3.76 0.02 . 1 . . . . 37 ALA HA . 16249 1 335 . 1 1 37 37 ALA HB1 H 1 1.32 0.02 . 1 . . . . 37 ALA MB . 16249 1 336 . 1 1 37 37 ALA HB2 H 1 1.32 0.02 . 1 . . . . 37 ALA MB . 16249 1 337 . 1 1 37 37 ALA HB3 H 1 1.32 0.02 . 1 . . . . 37 ALA MB . 16249 1 338 . 1 1 37 37 ALA C C 13 178.70 0.05 . 1 . . . . 37 ALA C . 16249 1 339 . 1 1 37 37 ALA CA C 13 55.24 0.05 . 1 . . . . 37 ALA CA . 16249 1 340 . 1 1 37 37 ALA CB C 13 19.47 0.05 . 1 . . . . 37 ALA CB . 16249 1 341 . 1 1 37 37 ALA N N 15 122.62 0.05 . 1 . . . . 37 ALA N . 16249 1 342 . 1 1 38 38 SER H H 1 8.51 0.02 . 1 . . . . 38 SER H . 16249 1 343 . 1 1 38 38 SER HA H 1 3.94 0.02 . 1 . . . . 38 SER HA . 16249 1 344 . 1 1 38 38 SER HB2 H 1 3.90 0.02 . 2 . . . . 38 SER HB2 . 16249 1 345 . 1 1 38 38 SER HB3 H 1 3.86 0.02 . 2 . . . . 38 SER HB3 . 16249 1 346 . 1 1 38 38 SER C C 13 177.32 0.05 . 1 . . . . 38 SER C . 16249 1 347 . 1 1 38 38 SER CA C 13 61.58 0.05 . 1 . . . . 38 SER CA . 16249 1 348 . 1 1 38 38 SER CB C 13 62.67 0.05 . 1 . . . . 38 SER CB . 16249 1 349 . 1 1 38 38 SER N N 15 112.42 0.05 . 1 . . . . 38 SER N . 16249 1 350 . 1 1 39 39 ALA H H 1 7.66 0.02 . 1 . . . . 39 ALA H . 16249 1 351 . 1 1 39 39 ALA HA H 1 4.14 0.02 . 1 . . . . 39 ALA HA . 16249 1 352 . 1 1 39 39 ALA HB1 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 16249 1 353 . 1 1 39 39 ALA HB2 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 16249 1 354 . 1 1 39 39 ALA HB3 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 16249 1 355 . 1 1 39 39 ALA C C 13 180.15 0.05 . 1 . . . . 39 ALA C . 16249 1 356 . 1 1 39 39 ALA CA C 13 54.84 0.05 . 1 . . . . 39 ALA CA . 16249 1 357 . 1 1 39 39 ALA CB C 13 18.13 0.05 . 1 . . . . 39 ALA CB . 16249 1 358 . 1 1 39 39 ALA N N 15 123.90 0.05 . 1 . . . . 39 ALA N . 16249 1 359 . 1 1 40 40 ALA H H 1 7.72 0.02 . 1 . . . . 40 ALA H . 16249 1 360 . 1 1 40 40 ALA HA H 1 4.04 0.02 . 1 . . . . 40 ALA HA . 16249 1 361 . 1 1 40 40 ALA HB1 H 1 1.25 0.02 . 1 . . . . 40 ALA MB . 16249 1 362 . 1 1 40 40 ALA HB2 H 1 1.25 0.02 . 1 . . . . 40 ALA MB . 16249 1 363 . 1 1 40 40 ALA HB3 H 1 1.25 0.02 . 1 . . . . 40 ALA MB . 16249 1 364 . 1 1 40 40 ALA C C 13 179.19 0.05 . 1 . . . . 40 ALA C . 16249 1 365 . 1 1 40 40 ALA CA C 13 54.83 0.05 . 1 . . . . 40 ALA CA . 16249 1 366 . 1 1 40 40 ALA CB C 13 18.51 0.05 . 1 . . . . 40 ALA CB . 16249 1 367 . 1 1 40 40 ALA N N 15 120.51 0.05 . 1 . . . . 40 ALA N . 16249 1 368 . 1 1 41 41 ALA H H 1 8.37 0.02 . 1 . . . . 41 ALA H . 16249 1 369 . 1 1 41 41 ALA HA H 1 3.83 0.02 . 1 . . . . 41 ALA HA . 16249 1 370 . 1 1 41 41 ALA HB1 H 1 1.43 0.02 . 1 . . . . 41 ALA MB . 16249 1 371 . 1 1 41 41 ALA HB2 H 1 1.43 0.02 . 1 . . . . 41 ALA MB . 16249 1 372 . 1 1 41 41 ALA HB3 H 1 1.43 0.02 . 1 . . . . 41 ALA MB . 16249 1 373 . 1 1 41 41 ALA C C 13 180.67 0.05 . 1 . . . . 41 ALA C . 16249 1 374 . 1 1 41 41 ALA CA C 13 55.33 0.05 . 1 . . . . 41 ALA CA . 16249 1 375 . 1 1 41 41 ALA CB C 13 18.10 0.05 . 1 . . . . 41 ALA CB . 16249 1 376 . 1 1 41 41 ALA N N 15 118.65 0.05 . 1 . . . . 41 ALA N . 16249 1 377 . 1 1 42 42 SER H H 1 7.64 0.02 . 1 . . . . 42 SER H . 16249 1 378 . 1 1 42 42 SER HA H 1 4.23 0.02 . 1 . . . . 42 SER HA . 16249 1 379 . 1 1 42 42 SER HB2 H 1 3.97 0.02 . 1 . . . . 42 SER HB2 . 16249 1 380 . 1 1 42 42 SER HB3 H 1 3.97 0.02 . 1 . . . . 42 SER HB3 . 16249 1 381 . 1 1 42 42 SER C C 13 177.44 0.05 . 1 . . . . 42 SER C . 16249 1 382 . 1 1 42 42 SER CA C 13 61.42 0.05 . 1 . . . . 42 SER CA . 16249 1 383 . 1 1 42 42 SER CB C 13 62.83 0.05 . 1 . . . . 42 SER CB . 16249 1 384 . 1 1 42 42 SER N N 15 112.81 0.05 . 1 . . . . 42 SER N . 16249 1 385 . 1 1 43 43 ARG H H 1 7.60 0.02 . 1 . . . . 43 ARG H . 16249 1 386 . 1 1 43 43 ARG HA H 1 4.18 0.02 . 1 . . . . 43 ARG HA . 16249 1 387 . 1 1 43 43 ARG HB2 H 1 1.76 0.02 . 1 . . . . 43 ARG HB2 . 16249 1 388 . 1 1 43 43 ARG HB3 H 1 1.97 0.02 . 1 . . . . 43 ARG HB3 . 16249 1 389 . 1 1 43 43 ARG HD2 H 1 3.34 0.02 . 1 . . . . 43 ARG HD2 . 16249 1 390 . 1 1 43 43 ARG HD3 H 1 2.95 0.02 . 1 . . . . 43 ARG HD3 . 16249 1 391 . 1 1 43 43 ARG HE H 1 7.60 0.02 . 1 . . . . 43 ARG HE . 16249 1 392 . 1 1 43 43 ARG HG2 H 1 1.91 0.02 . 1 . . . . 43 ARG HG2 . 16249 1 393 . 1 1 43 43 ARG HG3 H 1 1.47 0.02 . 1 . . . . 43 ARG HG3 . 16249 1 394 . 1 1 43 43 ARG C C 13 178.79 0.05 . 1 . . . . 43 ARG C . 16249 1 395 . 1 1 43 43 ARG CA C 13 59.47 0.05 . 1 . . . . 43 ARG CA . 16249 1 396 . 1 1 43 43 ARG CB C 13 30.30 0.05 . 1 . . . . 43 ARG CB . 16249 1 397 . 1 1 43 43 ARG CD C 13 43.40 0.05 . 1 . . . . 43 ARG CD . 16249 1 398 . 1 1 43 43 ARG CG C 13 29.50 0.05 . 1 . . . . 43 ARG CG . 16249 1 399 . 1 1 43 43 ARG N N 15 121.57 0.05 . 1 . . . . 43 ARG N . 16249 1 400 . 1 1 43 43 ARG NE N 15 67.00 0.05 . 1 . . . . 43 ARG NE . 16249 1 401 . 1 1 44 44 LEU H H 1 7.85 0.02 . 1 . . . . 44 LEU H . 16249 1 402 . 1 1 44 44 LEU HA H 1 3.89 0.02 . 1 . . . . 44 LEU HA . 16249 1 403 . 1 1 44 44 LEU HB2 H 1 1.68 0.02 . 1 . . . . 44 LEU HB2 . 16249 1 404 . 1 1 44 44 LEU HB3 H 1 1.73 0.02 . 1 . . . . 44 LEU HB3 . 16249 1 405 . 1 1 44 44 LEU HD11 H 1 0.84 0.02 . 1 . . . . 44 LEU MD1 . 16249 1 406 . 1 1 44 44 LEU HD12 H 1 0.84 0.02 . 1 . . . . 44 LEU MD1 . 16249 1 407 . 1 1 44 44 LEU HD13 H 1 0.84 0.02 . 1 . . . . 44 LEU MD1 . 16249 1 408 . 1 1 44 44 LEU HD21 H 1 0.78 0.02 . 1 . . . . 44 LEU MD2 . 16249 1 409 . 1 1 44 44 LEU HD22 H 1 0.78 0.02 . 1 . . . . 44 LEU MD2 . 16249 1 410 . 1 1 44 44 LEU HD23 H 1 0.78 0.02 . 1 . . . . 44 LEU MD2 . 16249 1 411 . 1 1 44 44 LEU HG H 1 1.79 0.02 . 1 . . . . 44 LEU HG . 16249 1 412 . 1 1 44 44 LEU C C 13 175.96 0.05 . 1 . . . . 44 LEU C . 16249 1 413 . 1 1 44 44 LEU CA C 13 56.58 0.05 . 1 . . . . 44 LEU CA . 16249 1 414 . 1 1 44 44 LEU CB C 13 42.04 0.05 . 1 . . . . 44 LEU CB . 16249 1 415 . 1 1 44 44 LEU CD1 C 13 25.64 0.05 . 1 . . . . 44 LEU CD1 . 16249 1 416 . 1 1 44 44 LEU CD2 C 13 24.70 0.05 . 1 . . . . 44 LEU CD2 . 16249 1 417 . 1 1 44 44 LEU CG C 13 27.60 0.05 . 1 . . . . 44 LEU CG . 16249 1 418 . 1 1 44 44 LEU N N 15 119.73 0.05 . 1 . . . . 44 LEU N . 16249 1 419 . 1 1 45 45 SER H H 1 7.22 0.02 . 1 . . . . 45 SER H . 16249 1 420 . 1 1 45 45 SER HA H 1 4.37 0.02 . 1 . . . . 45 SER HA . 16249 1 421 . 1 1 45 45 SER HB2 H 1 3.99 0.02 . 2 . . . . 45 SER HB2 . 16249 1 422 . 1 1 45 45 SER HB3 H 1 3.95 0.02 . 2 . . . . 45 SER HB3 . 16249 1 423 . 1 1 45 45 SER C C 13 174.60 0.05 . 1 . . . . 45 SER C . 16249 1 424 . 1 1 45 45 SER CA C 13 58.67 0.05 . 1 . . . . 45 SER CA . 16249 1 425 . 1 1 45 45 SER CB C 13 63.49 0.05 . 1 . . . . 45 SER CB . 16249 1 426 . 1 1 45 45 SER N N 15 110.35 0.05 . 1 . . . . 45 SER N . 16249 1 427 . 1 1 46 46 SER H H 1 7.45 0.02 . 1 . . . . 46 SER H . 16249 1 428 . 1 1 46 46 SER HA H 1 4.76 0.02 . 1 . . . . 46 SER HA . 16249 1 429 . 1 1 46 46 SER HB2 H 1 4.27 0.02 . 1 . . . . 46 SER HB2 . 16249 1 430 . 1 1 46 46 SER HB3 H 1 4.01 0.02 . 1 . . . . 46 SER HB3 . 16249 1 431 . 1 1 46 46 SER CA C 13 56.53 0.05 . 1 . . . . 46 SER CA . 16249 1 432 . 1 1 46 46 SER CB C 13 64.30 0.05 . 1 . . . . 46 SER CB . 16249 1 433 . 1 1 46 46 SER N N 15 117.89 0.05 . 1 . . . . 46 SER N . 16249 1 434 . 1 1 47 47 PRO HA H 1 4.43 0.02 . 1 . . . . 47 PRO HA . 16249 1 435 . 1 1 47 47 PRO HB2 H 1 1.97 0.02 . 1 . . . . 47 PRO HB2 . 16249 1 436 . 1 1 47 47 PRO HB3 H 1 2.41 0.02 . 1 . . . . 47 PRO HB3 . 16249 1 437 . 1 1 47 47 PRO HD2 H 1 3.97 0.02 . 2 . . . . 47 PRO HD2 . 16249 1 438 . 1 1 47 47 PRO HD3 H 1 3.93 0.02 . 2 . . . . 47 PRO HD3 . 16249 1 439 . 1 1 47 47 PRO HG2 H 1 2.16 0.02 . 2 . . . . 47 PRO HG2 . 16249 1 440 . 1 1 47 47 PRO HG3 H 1 2.08 0.02 . 2 . . . . 47 PRO HG3 . 16249 1 441 . 1 1 47 47 PRO CA C 13 65.24 0.05 . 1 . . . . 47 PRO CA . 16249 1 442 . 1 1 47 47 PRO CB C 13 31.87 0.05 . 1 . . . . 47 PRO CB . 16249 1 443 . 1 1 47 47 PRO CD C 13 50.94 0.05 . 1 . . . . 47 PRO CD . 16249 1 444 . 1 1 47 47 PRO CG C 13 27.87 0.05 . 1 . . . . 47 PRO CG . 16249 1 445 . 1 1 48 48 ALA H H 1 8.11 0.02 . 1 . . . . 48 ALA H . 16249 1 446 . 1 1 48 48 ALA HA H 1 4.06 0.02 . 1 . . . . 48 ALA HA . 16249 1 447 . 1 1 48 48 ALA HB1 H 1 1.41 0.02 . 1 . . . . 48 ALA MB . 16249 1 448 . 1 1 48 48 ALA HB2 H 1 1.41 0.02 . 1 . . . . 48 ALA MB . 16249 1 449 . 1 1 48 48 ALA HB3 H 1 1.41 0.02 . 1 . . . . 48 ALA MB . 16249 1 450 . 1 1 48 48 ALA C C 13 180.19 0.05 . 1 . . . . 48 ALA C . 16249 1 451 . 1 1 48 48 ALA CA C 13 54.72 0.05 . 1 . . . . 48 ALA CA . 16249 1 452 . 1 1 48 48 ALA CB C 13 18.80 0.05 . 1 . . . . 48 ALA CB . 16249 1 453 . 1 1 48 48 ALA N N 15 122.95 0.05 . 1 . . . . 48 ALA N . 16249 1 454 . 1 1 49 49 ALA H H 1 7.54 0.02 . 1 . . . . 49 ALA H . 16249 1 455 . 1 1 49 49 ALA HA H 1 4.07 0.02 . 1 . . . . 49 ALA HA . 16249 1 456 . 1 1 49 49 ALA HB1 H 1 1.44 0.02 . 1 . . . . 49 ALA MB . 16249 1 457 . 1 1 49 49 ALA HB2 H 1 1.44 0.02 . 1 . . . . 49 ALA MB . 16249 1 458 . 1 1 49 49 ALA HB3 H 1 1.44 0.02 . 1 . . . . 49 ALA MB . 16249 1 459 . 1 1 49 49 ALA C C 13 179.45 0.05 . 1 . . . . 49 ALA C . 16249 1 460 . 1 1 49 49 ALA CA C 13 55.30 0.05 . 1 . . . . 49 ALA CA . 16249 1 461 . 1 1 49 49 ALA CB C 13 19.10 0.05 . 1 . . . . 49 ALA CB . 16249 1 462 . 1 1 49 49 ALA N N 15 120.65 0.05 . 1 . . . . 49 ALA N . 16249 1 463 . 1 1 50 50 SER H H 1 7.53 0.02 . 1 . . . . 50 SER H . 16249 1 464 . 1 1 50 50 SER HA H 1 4.12 0.02 . 1 . . . . 50 SER HA . 16249 1 465 . 1 1 50 50 SER HB2 H 1 3.96 0.02 . 1 . . . . 50 SER HB2 . 16249 1 466 . 1 1 50 50 SER HB3 H 1 3.96 0.02 . 1 . . . . 50 SER HB3 . 16249 1 467 . 1 1 50 50 SER C C 13 177.69 0.05 . 1 . . . . 50 SER C . 16249 1 468 . 1 1 50 50 SER CA C 13 62.34 0.05 . 1 . . . . 50 SER CA . 16249 1 469 . 1 1 50 50 SER CB C 13 62.30 0.05 . 1 . . . . 50 SER CB . 16249 1 470 . 1 1 50 50 SER N N 15 111.55 0.05 . 1 . . . . 50 SER N . 16249 1 471 . 1 1 51 51 SER H H 1 7.87 0.02 . 1 . . . . 51 SER H . 16249 1 472 . 1 1 51 51 SER HA H 1 4.29 0.02 . 1 . . . . 51 SER HA . 16249 1 473 . 1 1 51 51 SER HB2 H 1 3.96 0.02 . 1 . . . . 51 SER HB2 . 16249 1 474 . 1 1 51 51 SER HB3 H 1 3.96 0.02 . 1 . . . . 51 SER HB3 . 16249 1 475 . 1 1 51 51 SER C C 13 177.29 0.05 . 1 . . . . 51 SER C . 16249 1 476 . 1 1 51 51 SER CA C 13 61.88 0.05 . 1 . . . . 51 SER CA . 16249 1 477 . 1 1 51 51 SER CB C 13 62.95 0.05 . 1 . . . . 51 SER CB . 16249 1 478 . 1 1 51 51 SER N N 15 117.20 0.05 . 1 . . . . 51 SER N . 16249 1 479 . 1 1 52 52 ARG H H 1 7.82 0.02 . 1 . . . . 52 ARG H . 16249 1 480 . 1 1 52 52 ARG HA H 1 4.07 0.02 . 1 . . . . 52 ARG HA . 16249 1 481 . 1 1 52 52 ARG HB2 H 1 2.34 0.02 . 1 . . . . 52 ARG HB2 . 16249 1 482 . 1 1 52 52 ARG HB3 H 1 1.63 0.02 . 1 . . . . 52 ARG HB3 . 16249 1 483 . 1 1 52 52 ARG HD2 H 1 2.86 0.02 . 1 . . . . 52 ARG HD2 . 16249 1 484 . 1 1 52 52 ARG HD3 H 1 3.18 0.02 . 1 . . . . 52 ARG HD3 . 16249 1 485 . 1 1 52 52 ARG HG2 H 1 1.42 0.02 . 1 . . . . 52 ARG HG2 . 16249 1 486 . 1 1 52 52 ARG HG3 H 1 1.81 0.02 . 1 . . . . 52 ARG HG3 . 16249 1 487 . 1 1 52 52 ARG HH11 H 1 6.39 0.02 . 1 . . . . 52 ARG HH11 . 16249 1 488 . 1 1 52 52 ARG HH12 H 1 6.39 0.02 . 1 . . . . 52 ARG HH12 . 16249 1 489 . 1 1 52 52 ARG C C 13 180.30 0.05 . 1 . . . . 52 ARG C . 16249 1 490 . 1 1 52 52 ARG CA C 13 60.74 0.05 . 1 . . . . 52 ARG CA . 16249 1 491 . 1 1 52 52 ARG CB C 13 31.80 0.05 . 1 . . . . 52 ARG CB . 16249 1 492 . 1 1 52 52 ARG CD C 13 44.36 0.05 . 1 . . . . 52 ARG CD . 16249 1 493 . 1 1 52 52 ARG CG C 13 29.63 0.05 . 1 . . . . 52 ARG CG . 16249 1 494 . 1 1 52 52 ARG N N 15 123.72 0.05 . 1 . . . . 52 ARG N . 16249 1 495 . 1 1 52 52 ARG NH1 N 15 84.85 0.05 . 1 . . . . 52 ARG NH1 . 16249 1 496 . 1 1 53 53 VAL H H 1 8.59 0.02 . 1 . . . . 53 VAL H . 16249 1 497 . 1 1 53 53 VAL HA H 1 3.45 0.02 . 1 . . . . 53 VAL HA . 16249 1 498 . 1 1 53 53 VAL HB H 1 2.16 0.02 . 1 . . . . 53 VAL HB . 16249 1 499 . 1 1 53 53 VAL HG11 H 1 0.74 0.02 . 1 . . . . 53 VAL MG1 . 16249 1 500 . 1 1 53 53 VAL HG12 H 1 0.74 0.02 . 1 . . . . 53 VAL MG1 . 16249 1 501 . 1 1 53 53 VAL HG13 H 1 0.74 0.02 . 1 . . . . 53 VAL MG1 . 16249 1 502 . 1 1 53 53 VAL HG21 H 1 1.27 0.02 . 1 . . . . 53 VAL MG2 . 16249 1 503 . 1 1 53 53 VAL HG22 H 1 1.27 0.02 . 1 . . . . 53 VAL MG2 . 16249 1 504 . 1 1 53 53 VAL HG23 H 1 1.27 0.02 . 1 . . . . 53 VAL MG2 . 16249 1 505 . 1 1 53 53 VAL C C 13 178.14 0.05 . 1 . . . . 53 VAL C . 16249 1 506 . 1 1 53 53 VAL CA C 13 67.82 0.05 . 1 . . . . 53 VAL CA . 16249 1 507 . 1 1 53 53 VAL CB C 13 31.94 0.05 . 1 . . . . 53 VAL CB . 16249 1 508 . 1 1 53 53 VAL CG1 C 13 19.97 0.05 . 1 . . . . 53 VAL CG1 . 16249 1 509 . 1 1 53 53 VAL CG2 C 13 22.52 0.05 . 1 . . . . 53 VAL CG2 . 16249 1 510 . 1 1 53 53 VAL N N 15 121.26 0.05 . 1 . . . . 53 VAL N . 16249 1 511 . 1 1 54 54 SER H H 1 8.28 0.02 . 1 . . . . 54 SER H . 16249 1 512 . 1 1 54 54 SER HA H 1 4.16 0.02 . 1 . . . . 54 SER HA . 16249 1 513 . 1 1 54 54 SER HB2 H 1 4.04 0.02 . 1 . . . . 54 SER HB2 . 16249 1 514 . 1 1 54 54 SER HB3 H 1 4.04 0.02 . 1 . . . . 54 SER HB3 . 16249 1 515 . 1 1 54 54 SER C C 13 177.27 0.05 . 1 . . . . 54 SER C . 16249 1 516 . 1 1 54 54 SER CA C 13 62.89 0.05 . 1 . . . . 54 SER CA . 16249 1 517 . 1 1 54 54 SER CB C 13 62.90 0.05 . 1 . . . . 54 SER CB . 16249 1 518 . 1 1 54 54 SER N N 15 114.99 0.05 . 1 . . . . 54 SER N . 16249 1 519 . 1 1 55 55 SER H H 1 7.95 0.02 . 1 . . . . 55 SER H . 16249 1 520 . 1 1 55 55 SER HA H 1 4.27 0.02 . 1 . . . . 55 SER HA . 16249 1 521 . 1 1 55 55 SER HB2 H 1 4.03 0.02 . 1 . . . . 55 SER HB2 . 16249 1 522 . 1 1 55 55 SER HB3 H 1 4.03 0.02 . 1 . . . . 55 SER HB3 . 16249 1 523 . 1 1 55 55 SER C C 13 176.62 0.05 . 1 . . . . 55 SER C . 16249 1 524 . 1 1 55 55 SER CA C 13 61.74 0.05 . 1 . . . . 55 SER CA . 16249 1 525 . 1 1 55 55 SER CB C 13 62.94 0.05 . 1 . . . . 55 SER CB . 16249 1 526 . 1 1 55 55 SER N N 15 116.55 0.05 . 1 . . . . 55 SER N . 16249 1 527 . 1 1 56 56 ALA H H 1 8.32 0.02 . 1 . . . . 56 ALA H . 16249 1 528 . 1 1 56 56 ALA HA H 1 4.19 0.02 . 1 . . . . 56 ALA HA . 16249 1 529 . 1 1 56 56 ALA HB1 H 1 1.32 0.02 . 1 . . . . 56 ALA MB . 16249 1 530 . 1 1 56 56 ALA HB2 H 1 1.32 0.02 . 1 . . . . 56 ALA MB . 16249 1 531 . 1 1 56 56 ALA HB3 H 1 1.32 0.02 . 1 . . . . 56 ALA MB . 16249 1 532 . 1 1 56 56 ALA C C 13 179.26 0.05 . 1 . . . . 56 ALA C . 16249 1 533 . 1 1 56 56 ALA CA C 13 54.87 0.05 . 1 . . . . 56 ALA CA . 16249 1 534 . 1 1 56 56 ALA CB C 13 17.31 0.05 . 1 . . . . 56 ALA CB . 16249 1 535 . 1 1 56 56 ALA N N 15 126.46 0.05 . 1 . . . . 56 ALA N . 16249 1 536 . 1 1 57 57 VAL H H 1 8.78 0.02 . 1 . . . . 57 VAL H . 16249 1 537 . 1 1 57 57 VAL HA H 1 3.39 0.02 . 1 . . . . 57 VAL HA . 16249 1 538 . 1 1 57 57 VAL HB H 1 2.49 0.02 . 1 . . . . 57 VAL HB . 16249 1 539 . 1 1 57 57 VAL HG11 H 1 0.79 0.02 . 1 . . . . 57 VAL MG1 . 16249 1 540 . 1 1 57 57 VAL HG12 H 1 0.79 0.02 . 1 . . . . 57 VAL MG1 . 16249 1 541 . 1 1 57 57 VAL HG13 H 1 0.79 0.02 . 1 . . . . 57 VAL MG1 . 16249 1 542 . 1 1 57 57 VAL HG21 H 1 1.20 0.02 . 1 . . . . 57 VAL MG2 . 16249 1 543 . 1 1 57 57 VAL HG22 H 1 1.20 0.02 . 1 . . . . 57 VAL MG2 . 16249 1 544 . 1 1 57 57 VAL HG23 H 1 1.20 0.02 . 1 . . . . 57 VAL MG2 . 16249 1 545 . 1 1 57 57 VAL C C 13 177.54 0.05 . 1 . . . . 57 VAL C . 16249 1 546 . 1 1 57 57 VAL CA C 13 67.78 0.05 . 1 . . . . 57 VAL CA . 16249 1 547 . 1 1 57 57 VAL CB C 13 31.69 0.05 . 1 . . . . 57 VAL CB . 16249 1 548 . 1 1 57 57 VAL CG1 C 13 22.29 0.05 . 1 . . . . 57 VAL CG1 . 16249 1 549 . 1 1 57 57 VAL CG2 C 13 24.30 0.05 . 1 . . . . 57 VAL CG2 . 16249 1 550 . 1 1 57 57 VAL N N 15 118.65 0.05 . 1 . . . . 57 VAL N . 16249 1 551 . 1 1 58 58 SER H H 1 7.82 0.02 . 1 . . . . 58 SER H . 16249 1 552 . 1 1 58 58 SER HA H 1 4.24 0.02 . 1 . . . . 58 SER HA . 16249 1 553 . 1 1 58 58 SER HB2 H 1 3.97 0.02 . 1 . . . . 58 SER HB2 . 16249 1 554 . 1 1 58 58 SER HB3 H 1 3.97 0.02 . 1 . . . . 58 SER HB3 . 16249 1 555 . 1 1 58 58 SER C C 13 178.60 0.05 . 1 . . . . 58 SER C . 16249 1 556 . 1 1 58 58 SER CA C 13 61.91 0.05 . 1 . . . . 58 SER CA . 16249 1 557 . 1 1 58 58 SER CB C 13 62.94 0.05 . 1 . . . . 58 SER CB . 16249 1 558 . 1 1 58 58 SER N N 15 111.73 0.05 . 1 . . . . 58 SER N . 16249 1 559 . 1 1 59 59 SER H H 1 8.18 0.02 . 1 . . . . 59 SER H . 16249 1 560 . 1 1 59 59 SER HA H 1 4.20 0.02 . 1 . . . . 59 SER HA . 16249 1 561 . 1 1 59 59 SER HB2 H 1 3.98 0.02 . 1 . . . . 59 SER HB2 . 16249 1 562 . 1 1 59 59 SER HB3 H 1 3.98 0.02 . 1 . . . . 59 SER HB3 . 16249 1 563 . 1 1 59 59 SER C C 13 177.05 0.05 . 1 . . . . 59 SER C . 16249 1 564 . 1 1 59 59 SER CA C 13 61.65 0.05 . 1 . . . . 59 SER CA . 16249 1 565 . 1 1 59 59 SER CB C 13 63.25 0.05 . 1 . . . . 59 SER CB . 16249 1 566 . 1 1 59 59 SER N N 15 116.82 0.05 . 1 . . . . 59 SER N . 16249 1 567 . 1 1 60 60 LEU H H 1 8.48 0.02 . 1 . . . . 60 LEU H . 16249 1 568 . 1 1 60 60 LEU HA H 1 3.89 0.02 . 1 . . . . 60 LEU HA . 16249 1 569 . 1 1 60 60 LEU HB2 H 1 2.00 0.02 . 1 . . . . 60 LEU HB2 . 16249 1 570 . 1 1 60 60 LEU HB3 H 1 0.94 0.02 . 1 . . . . 60 LEU HB3 . 16249 1 571 . 1 1 60 60 LEU HD11 H 1 0.64 0.02 . 1 . . . . 60 LEU MD1 . 16249 1 572 . 1 1 60 60 LEU HD12 H 1 0.64 0.02 . 1 . . . . 60 LEU MD1 . 16249 1 573 . 1 1 60 60 LEU HD13 H 1 0.64 0.02 . 1 . . . . 60 LEU MD1 . 16249 1 574 . 1 1 60 60 LEU HD21 H 1 0.68 0.02 . 1 . . . . 60 LEU MD2 . 16249 1 575 . 1 1 60 60 LEU HD22 H 1 0.68 0.02 . 1 . . . . 60 LEU MD2 . 16249 1 576 . 1 1 60 60 LEU HD23 H 1 0.68 0.02 . 1 . . . . 60 LEU MD2 . 16249 1 577 . 1 1 60 60 LEU HG H 1 1.99 0.02 . 1 . . . . 60 LEU HG . 16249 1 578 . 1 1 60 60 LEU C C 13 179.05 0.05 . 1 . . . . 60 LEU C . 16249 1 579 . 1 1 60 60 LEU CA C 13 57.96 0.05 . 1 . . . . 60 LEU CA . 16249 1 580 . 1 1 60 60 LEU CB C 13 42.60 0.05 . 1 . . . . 60 LEU CB . 16249 1 581 . 1 1 60 60 LEU CD1 C 13 25.48 0.05 . 1 . . . . 60 LEU CD1 . 16249 1 582 . 1 1 60 60 LEU CD2 C 13 23.10 0.05 . 1 . . . . 60 LEU CD2 . 16249 1 583 . 1 1 60 60 LEU CG C 13 26.75 0.05 . 1 . . . . 60 LEU CG . 16249 1 584 . 1 1 60 60 LEU N N 15 122.01 0.05 . 1 . . . . 60 LEU N . 16249 1 585 . 1 1 61 61 VAL H H 1 8.59 0.02 . 1 . . . . 61 VAL H . 16249 1 586 . 1 1 61 61 VAL HA H 1 3.68 0.02 . 1 . . . . 61 VAL HA . 16249 1 587 . 1 1 61 61 VAL HB H 1 2.18 0.02 . 1 . . . . 61 VAL HB . 16249 1 588 . 1 1 61 61 VAL HG11 H 1 0.93 0.02 . 2 . . . . 61 VAL MG1 . 16249 1 589 . 1 1 61 61 VAL HG12 H 1 0.93 0.02 . 2 . . . . 61 VAL MG1 . 16249 1 590 . 1 1 61 61 VAL HG13 H 1 0.93 0.02 . 2 . . . . 61 VAL MG1 . 16249 1 591 . 1 1 61 61 VAL HG21 H 1 1.00 0.02 . 2 . . . . 61 VAL MG2 . 16249 1 592 . 1 1 61 61 VAL HG22 H 1 1.00 0.02 . 2 . . . . 61 VAL MG2 . 16249 1 593 . 1 1 61 61 VAL HG23 H 1 1.00 0.02 . 2 . . . . 61 VAL MG2 . 16249 1 594 . 1 1 61 61 VAL C C 13 178.63 0.05 . 1 . . . . 61 VAL C . 16249 1 595 . 1 1 61 61 VAL CA C 13 66.08 0.05 . 1 . . . . 61 VAL CA . 16249 1 596 . 1 1 61 61 VAL CB C 13 31.69 0.05 . 1 . . . . 61 VAL CB . 16249 1 597 . 1 1 61 61 VAL CG1 C 13 21.70 0.05 . 1 . . . . 61 VAL CG1 . 16249 1 598 . 1 1 61 61 VAL CG2 C 13 23.15 0.05 . 1 . . . . 61 VAL CG2 . 16249 1 599 . 1 1 61 61 VAL N N 15 116.11 0.05 . 1 . . . . 61 VAL N . 16249 1 600 . 1 1 62 62 SER H H 1 7.82 0.02 . 1 . . . . 62 SER H . 16249 1 601 . 1 1 62 62 SER HA H 1 4.22 0.02 . 1 . . . . 62 SER HA . 16249 1 602 . 1 1 62 62 SER HB2 H 1 3.99 0.02 . 1 . . . . 62 SER HB2 . 16249 1 603 . 1 1 62 62 SER HB3 H 1 3.99 0.02 . 1 . . . . 62 SER HB3 . 16249 1 604 . 1 1 62 62 SER C C 13 176.43 0.05 . 1 . . . . 62 SER C . 16249 1 605 . 1 1 62 62 SER CA C 13 61.62 0.05 . 1 . . . . 62 SER CA . 16249 1 606 . 1 1 62 62 SER CB C 13 63.11 0.05 . 1 . . . . 62 SER CB . 16249 1 607 . 1 1 62 62 SER N N 15 114.20 0.05 . 1 . . . . 62 SER N . 16249 1 608 . 1 1 63 63 SER H H 1 7.55 0.02 . 1 . . . . 63 SER H . 16249 1 609 . 1 1 63 63 SER HA H 1 4.60 0.02 . 1 . . . . 63 SER HA . 16249 1 610 . 1 1 63 63 SER HB2 H 1 3.70 0.02 . 1 . . . . 63 SER HB2 . 16249 1 611 . 1 1 63 63 SER HB3 H 1 3.88 0.02 . 1 . . . . 63 SER HB3 . 16249 1 612 . 1 1 63 63 SER C C 13 173.81 0.05 . 1 . . . . 63 SER C . 16249 1 613 . 1 1 63 63 SER CA C 13 59.82 0.05 . 1 . . . . 63 SER CA . 16249 1 614 . 1 1 63 63 SER CB C 13 64.65 0.05 . 1 . . . . 63 SER CB . 16249 1 615 . 1 1 63 63 SER N N 15 113.35 0.05 . 1 . . . . 63 SER N . 16249 1 616 . 1 1 64 64 GLY H H 1 7.63 0.02 . 1 . . . . 64 GLY H . 16249 1 617 . 1 1 64 64 GLY HA2 H 1 3.86 0.02 . 1 . . . . 64 GLY HA2 . 16249 1 618 . 1 1 64 64 GLY HA3 H 1 4.35 0.02 . 1 . . . . 64 GLY HA3 . 16249 1 619 . 1 1 64 64 GLY CA C 13 43.41 0.05 . 1 . . . . 64 GLY CA . 16249 1 620 . 1 1 64 64 GLY N N 15 112.82 0.05 . 1 . . . . 64 GLY N . 16249 1 621 . 1 1 65 65 PRO HA H 1 4.19 0.02 . 1 . . . . 65 PRO HA . 16249 1 622 . 1 1 65 65 PRO HB2 H 1 1.78 0.02 . 1 . . . . 65 PRO HB2 . 16249 1 623 . 1 1 65 65 PRO HB3 H 1 1.87 0.02 . 1 . . . . 65 PRO HB3 . 16249 1 624 . 1 1 65 65 PRO HD2 H 1 3.82 0.02 . 1 . . . . 65 PRO HD2 . 16249 1 625 . 1 1 65 65 PRO HD3 H 1 3.75 0.02 . 1 . . . . 65 PRO HD3 . 16249 1 626 . 1 1 65 65 PRO HG2 H 1 1.83 0.02 . 2 . . . . 65 PRO HG2 . 16249 1 627 . 1 1 65 65 PRO HG3 H 1 1.67 0.02 . 2 . . . . 65 PRO HG3 . 16249 1 628 . 1 1 65 65 PRO CA C 13 64.34 0.05 . 1 . . . . 65 PRO CA . 16249 1 629 . 1 1 65 65 PRO CB C 13 32.66 0.05 . 1 . . . . 65 PRO CB . 16249 1 630 . 1 1 65 65 PRO CD C 13 50.75 0.05 . 1 . . . . 65 PRO CD . 16249 1 631 . 1 1 65 65 PRO CG C 13 27.85 0.05 . 1 . . . . 65 PRO CG . 16249 1 632 . 1 1 66 66 THR H H 1 7.19 0.02 . 1 . . . . 66 THR H . 16249 1 633 . 1 1 66 66 THR HA H 1 4.19 0.02 . 1 . . . . 66 THR HA . 16249 1 634 . 1 1 66 66 THR HB H 1 4.53 0.02 . 1 . . . . 66 THR HB . 16249 1 635 . 1 1 66 66 THR HG21 H 1 0.87 0.02 . 1 . . . . 66 THR MG . 16249 1 636 . 1 1 66 66 THR HG22 H 1 0.87 0.02 . 1 . . . . 66 THR MG . 16249 1 637 . 1 1 66 66 THR HG23 H 1 0.87 0.02 . 1 . . . . 66 THR MG . 16249 1 638 . 1 1 66 66 THR CA C 13 59.97 0.05 . 1 . . . . 66 THR CA . 16249 1 639 . 1 1 66 66 THR CB C 13 68.39 0.05 . 1 . . . . 66 THR CB . 16249 1 640 . 1 1 66 66 THR CG2 C 13 21.90 0.05 . 1 . . . . 66 THR CG2 . 16249 1 641 . 1 1 66 66 THR N N 15 120.40 0.05 . 1 . . . . 66 THR N . 16249 1 642 . 1 1 67 67 ASN H H 1 7.45 0.02 . 1 . . . . 67 ASN H . 16249 1 643 . 1 1 67 67 ASN HA H 1 4.75 0.02 . 1 . . . . 67 ASN HA . 16249 1 644 . 1 1 67 67 ASN HB2 H 1 2.96 0.02 . 1 . . . . 67 ASN HB2 . 16249 1 645 . 1 1 67 67 ASN HB3 H 1 2.79 0.02 . 1 . . . . 67 ASN HB3 . 16249 1 646 . 1 1 67 67 ASN HD21 H 1 7.80 0.02 . 1 . . . . 67 ASN HD21 . 16249 1 647 . 1 1 67 67 ASN HD22 H 1 7.04 0.02 . 1 . . . . 67 ASN HD22 . 16249 1 648 . 1 1 67 67 ASN C C 13 174.99 0.05 . 1 . . . . 67 ASN C . 16249 1 649 . 1 1 67 67 ASN CA C 13 52.68 0.05 . 1 . . . . 67 ASN CA . 16249 1 650 . 1 1 67 67 ASN CB C 13 40.52 0.05 . 1 . . . . 67 ASN CB . 16249 1 651 . 1 1 67 67 ASN CG C 13 176.90 0.05 . 1 . . . . 67 ASN CG . 16249 1 652 . 1 1 67 67 ASN N N 15 120.30 0.05 . 1 . . . . 67 ASN N . 16249 1 653 . 1 1 67 67 ASN ND2 N 15 114.60 0.05 . 1 . . . . 67 ASN ND2 . 16249 1 654 . 1 1 68 68 GLN H H 1 8.90 0.02 . 1 . . . . 68 GLN H . 16249 1 655 . 1 1 68 68 GLN HA H 1 3.89 0.02 . 1 . . . . 68 GLN HA . 16249 1 656 . 1 1 68 68 GLN HB2 H 1 2.17 0.02 . 1 . . . . 68 GLN HB2 . 16249 1 657 . 1 1 68 68 GLN HB3 H 1 1.93 0.02 . 1 . . . . 68 GLN HB3 . 16249 1 658 . 1 1 68 68 GLN HE21 H 1 7.36 0.02 . 1 . . . . 68 GLN HE21 . 16249 1 659 . 1 1 68 68 GLN HE22 H 1 6.88 0.02 . 1 . . . . 68 GLN HE22 . 16249 1 660 . 1 1 68 68 GLN HG2 H 1 2.19 0.02 . 1 . . . . 68 GLN HG2 . 16249 1 661 . 1 1 68 68 GLN HG3 H 1 2.37 0.02 . 1 . . . . 68 GLN HG3 . 16249 1 662 . 1 1 68 68 GLN C C 13 177.69 0.05 . 1 . . . . 68 GLN C . 16249 1 663 . 1 1 68 68 GLN CA C 13 59.76 0.05 . 1 . . . . 68 GLN CA . 16249 1 664 . 1 1 68 68 GLN CB C 13 29.10 0.05 . 1 . . . . 68 GLN CB . 16249 1 665 . 1 1 68 68 GLN CD C 13 179.60 0.05 . 1 . . . . 68 GLN CD . 16249 1 666 . 1 1 68 68 GLN CG C 13 33.34 0.05 . 1 . . . . 68 GLN CG . 16249 1 667 . 1 1 68 68 GLN N N 15 126.83 0.05 . 1 . . . . 68 GLN N . 16249 1 668 . 1 1 68 68 GLN NE2 N 15 111.20 0.05 . 1 . . . . 68 GLN NE2 . 16249 1 669 . 1 1 69 69 ALA H H 1 8.27 0.02 . 1 . . . . 69 ALA H . 16249 1 670 . 1 1 69 69 ALA HA H 1 4.06 0.02 . 1 . . . . 69 ALA HA . 16249 1 671 . 1 1 69 69 ALA HB1 H 1 1.41 0.02 . 1 . . . . 69 ALA MB . 16249 1 672 . 1 1 69 69 ALA HB2 H 1 1.41 0.02 . 1 . . . . 69 ALA MB . 16249 1 673 . 1 1 69 69 ALA HB3 H 1 1.41 0.02 . 1 . . . . 69 ALA MB . 16249 1 674 . 1 1 69 69 ALA C C 13 179.95 0.05 . 1 . . . . 69 ALA C . 16249 1 675 . 1 1 69 69 ALA CA C 13 55.17 0.05 . 1 . . . . 69 ALA CA . 16249 1 676 . 1 1 69 69 ALA CB C 13 17.82 0.05 . 1 . . . . 69 ALA CB . 16249 1 677 . 1 1 69 69 ALA N N 15 121.45 0.05 . 1 . . . . 69 ALA N . 16249 1 678 . 1 1 70 70 ALA H H 1 7.72 0.02 . 1 . . . . 70 ALA H . 16249 1 679 . 1 1 70 70 ALA HA H 1 4.11 0.02 . 1 . . . . 70 ALA HA . 16249 1 680 . 1 1 70 70 ALA HB1 H 1 1.47 0.02 . 1 . . . . 70 ALA MB . 16249 1 681 . 1 1 70 70 ALA HB2 H 1 1.47 0.02 . 1 . . . . 70 ALA MB . 16249 1 682 . 1 1 70 70 ALA HB3 H 1 1.47 0.02 . 1 . . . . 70 ALA MB . 16249 1 683 . 1 1 70 70 ALA C C 13 181.70 0.05 . 1 . . . . 70 ALA C . 16249 1 684 . 1 1 70 70 ALA CA C 13 54.80 0.05 . 1 . . . . 70 ALA CA . 16249 1 685 . 1 1 70 70 ALA CB C 13 19.94 0.05 . 1 . . . . 70 ALA CB . 16249 1 686 . 1 1 70 70 ALA N N 15 120.51 0.05 . 1 . . . . 70 ALA N . 16249 1 687 . 1 1 71 71 LEU H H 1 8.29 0.02 . 1 . . . . 71 LEU H . 16249 1 688 . 1 1 71 71 LEU HA H 1 3.86 0.02 . 1 . . . . 71 LEU HA . 16249 1 689 . 1 1 71 71 LEU HB2 H 1 1.71 0.02 . 1 . . . . 71 LEU HB2 . 16249 1 690 . 1 1 71 71 LEU HB3 H 1 1.54 0.02 . 1 . . . . 71 LEU HB3 . 16249 1 691 . 1 1 71 71 LEU HD11 H 1 0.72 0.02 . 2 . . . . 71 LEU MD1 . 16249 1 692 . 1 1 71 71 LEU HD12 H 1 0.72 0.02 . 2 . . . . 71 LEU MD1 . 16249 1 693 . 1 1 71 71 LEU HD13 H 1 0.72 0.02 . 2 . . . . 71 LEU MD1 . 16249 1 694 . 1 1 71 71 LEU HD21 H 1 0.74 0.02 . 2 . . . . 71 LEU MD2 . 16249 1 695 . 1 1 71 71 LEU HD22 H 1 0.74 0.02 . 2 . . . . 71 LEU MD2 . 16249 1 696 . 1 1 71 71 LEU HD23 H 1 0.74 0.02 . 2 . . . . 71 LEU MD2 . 16249 1 697 . 1 1 71 71 LEU HG H 1 1.55 0.02 . 1 . . . . 71 LEU HG . 16249 1 698 . 1 1 71 71 LEU C C 13 178.87 0.05 . 1 . . . . 71 LEU C . 16249 1 699 . 1 1 71 71 LEU CA C 13 58.69 0.05 . 1 . . . . 71 LEU CA . 16249 1 700 . 1 1 71 71 LEU CB C 13 41.38 0.05 . 1 . . . . 71 LEU CB . 16249 1 701 . 1 1 71 71 LEU CD1 C 13 23.85 0.05 . 2 . . . . 71 LEU CD1 . 16249 1 702 . 1 1 71 71 LEU CD2 C 13 24.13 0.05 . 2 . . . . 71 LEU CD2 . 16249 1 703 . 1 1 71 71 LEU CG C 13 27.35 0.05 . 1 . . . . 71 LEU CG . 16249 1 704 . 1 1 71 71 LEU N N 15 121.45 0.05 . 1 . . . . 71 LEU N . 16249 1 705 . 1 1 72 72 SER H H 1 8.68 0.02 . 1 . . . . 72 SER H . 16249 1 706 . 1 1 72 72 SER HA H 1 3.88 0.02 . 1 . . . . 72 SER HA . 16249 1 707 . 1 1 72 72 SER HB2 H 1 3.92 0.02 . 1 . . . . 72 SER HB2 . 16249 1 708 . 1 1 72 72 SER HB3 H 1 3.92 0.02 . 1 . . . . 72 SER HB3 . 16249 1 709 . 1 1 72 72 SER HG H 1 5.21 0.02 . 1 . . . . 72 SER HG . 16249 1 710 . 1 1 72 72 SER C C 13 176.52 0.05 . 1 . . . . 72 SER C . 16249 1 711 . 1 1 72 72 SER CA C 13 62.75 0.05 . 1 . . . . 72 SER CA . 16249 1 712 . 1 1 72 72 SER CB C 13 63.20 0.05 . 1 . . . . 72 SER CB . 16249 1 713 . 1 1 72 72 SER N N 15 114.26 0.05 . 1 . . . . 72 SER N . 16249 1 714 . 1 1 73 73 ASN H H 1 8.35 0.02 . 1 . . . . 73 ASN H . 16249 1 715 . 1 1 73 73 ASN HA H 1 4.39 0.02 . 1 . . . . 73 ASN HA . 16249 1 716 . 1 1 73 73 ASN HB2 H 1 2.89 0.02 . 1 . . . . 73 ASN HB2 . 16249 1 717 . 1 1 73 73 ASN HB3 H 1 2.77 0.02 . 1 . . . . 73 ASN HB3 . 16249 1 718 . 1 1 73 73 ASN HD21 H 1 7.58 0.02 . 1 . . . . 73 ASN HD21 . 16249 1 719 . 1 1 73 73 ASN HD22 H 1 6.91 0.02 . 1 . . . . 73 ASN HD22 . 16249 1 720 . 1 1 73 73 ASN C C 13 178.23 0.05 . 1 . . . . 73 ASN C . 16249 1 721 . 1 1 73 73 ASN CA C 13 56.34 0.05 . 1 . . . . 73 ASN CA . 16249 1 722 . 1 1 73 73 ASN CB C 13 38.45 0.05 . 1 . . . . 73 ASN CB . 16249 1 723 . 1 1 73 73 ASN CG C 13 176.30 0.05 . 1 . . . . 73 ASN CG . 16249 1 724 . 1 1 73 73 ASN N N 15 118.60 0.05 . 1 . . . . 73 ASN N . 16249 1 725 . 1 1 73 73 ASN ND2 N 15 112.38 0.05 . 1 . . . . 73 ASN ND2 . 16249 1 726 . 1 1 74 74 THR H H 1 8.16 0.02 . 1 . . . . 74 THR H . 16249 1 727 . 1 1 74 74 THR HA H 1 3.98 0.02 . 1 . . . . 74 THR HA . 16249 1 728 . 1 1 74 74 THR HB H 1 4.19 0.02 . 1 . . . . 74 THR HB . 16249 1 729 . 1 1 74 74 THR HG1 H 1 5.04 0.02 . 1 . . . . 74 THR HG1 . 16249 1 730 . 1 1 74 74 THR HG21 H 1 1.14 0.02 . 1 . . . . 74 THR MG . 16249 1 731 . 1 1 74 74 THR HG22 H 1 1.14 0.02 . 1 . . . . 74 THR MG . 16249 1 732 . 1 1 74 74 THR HG23 H 1 1.14 0.02 . 1 . . . . 74 THR MG . 16249 1 733 . 1 1 74 74 THR C C 13 175.60 0.05 . 1 . . . . 74 THR C . 16249 1 734 . 1 1 74 74 THR CA C 13 67.70 0.05 . 1 . . . . 74 THR CA . 16249 1 735 . 1 1 74 74 THR CB C 13 68.40 0.05 . 1 . . . . 74 THR CB . 16249 1 736 . 1 1 74 74 THR CG2 C 13 21.46 0.05 . 1 . . . . 74 THR CG2 . 16249 1 737 . 1 1 74 74 THR N N 15 117.75 0.05 . 1 . . . . 74 THR N . 16249 1 738 . 1 1 75 75 ILE H H 1 8.50 0.02 . 1 . . . . 75 ILE H . 16249 1 739 . 1 1 75 75 ILE HA H 1 3.35 0.02 . 1 . . . . 75 ILE HA . 16249 1 740 . 1 1 75 75 ILE HB H 1 1.78 0.02 . 1 . . . . 75 ILE HB . 16249 1 741 . 1 1 75 75 ILE HD11 H 1 0.62 0.02 . 1 . . . . 75 ILE MD . 16249 1 742 . 1 1 75 75 ILE HD12 H 1 0.62 0.02 . 1 . . . . 75 ILE MD . 16249 1 743 . 1 1 75 75 ILE HD13 H 1 0.62 0.02 . 1 . . . . 75 ILE MD . 16249 1 744 . 1 1 75 75 ILE HG12 H 1 1.82 0.02 . 1 . . . . 75 ILE HG12 . 16249 1 745 . 1 1 75 75 ILE HG13 H 1 0.75 0.02 . 1 . . . . 75 ILE HG13 . 16249 1 746 . 1 1 75 75 ILE HG21 H 1 0.66 0.02 . 1 . . . . 75 ILE MG . 16249 1 747 . 1 1 75 75 ILE HG22 H 1 0.66 0.02 . 1 . . . . 75 ILE MG . 16249 1 748 . 1 1 75 75 ILE HG23 H 1 0.66 0.02 . 1 . . . . 75 ILE MG . 16249 1 749 . 1 1 75 75 ILE C C 13 176.93 0.05 . 1 . . . . 75 ILE C . 16249 1 750 . 1 1 75 75 ILE CA C 13 66.63 0.05 . 1 . . . . 75 ILE CA . 16249 1 751 . 1 1 75 75 ILE CB C 13 37.77 0.05 . 1 . . . . 75 ILE CB . 16249 1 752 . 1 1 75 75 ILE CD1 C 13 13.00 0.05 . 1 . . . . 75 ILE CD1 . 16249 1 753 . 1 1 75 75 ILE CG1 C 13 30.36 0.05 . 1 . . . . 75 ILE CG1 . 16249 1 754 . 1 1 75 75 ILE CG2 C 13 17.04 0.05 . 1 . . . . 75 ILE CG2 . 16249 1 755 . 1 1 75 75 ILE N N 15 120.64 0.05 . 1 . . . . 75 ILE N . 16249 1 756 . 1 1 76 76 SER H H 1 8.27 0.02 . 1 . . . . 76 SER H . 16249 1 757 . 1 1 76 76 SER HA H 1 3.88 0.02 . 1 . . . . 76 SER HA . 16249 1 758 . 1 1 76 76 SER HB2 H 1 3.88 0.02 . 1 . . . . 76 SER HB2 . 16249 1 759 . 1 1 76 76 SER HB3 H 1 3.88 0.02 . 1 . . . . 76 SER HB3 . 16249 1 760 . 1 1 76 76 SER C C 13 177.35 0.05 . 1 . . . . 76 SER C . 16249 1 761 . 1 1 76 76 SER CA C 13 62.01 0.05 . 1 . . . . 76 SER CA . 16249 1 762 . 1 1 76 76 SER CB C 13 62.92 0.05 . 1 . . . . 76 SER CB . 16249 1 763 . 1 1 76 76 SER N N 15 112.36 0.05 . 1 . . . . 76 SER N . 16249 1 764 . 1 1 77 77 SER H H 1 7.99 0.02 . 1 . . . . 77 SER H . 16249 1 765 . 1 1 77 77 SER HA H 1 4.22 0.02 . 1 . . . . 77 SER HA . 16249 1 766 . 1 1 77 77 SER HB2 H 1 3.97 0.02 . 1 . . . . 77 SER HB2 . 16249 1 767 . 1 1 77 77 SER HB3 H 1 3.97 0.02 . 1 . . . . 77 SER HB3 . 16249 1 768 . 1 1 77 77 SER C C 13 177.28 0.05 . 1 . . . . 77 SER C . 16249 1 769 . 1 1 77 77 SER CA C 13 61.38 0.05 . 1 . . . . 77 SER CA . 16249 1 770 . 1 1 77 77 SER CB C 13 63.11 0.05 . 1 . . . . 77 SER CB . 16249 1 771 . 1 1 77 77 SER N N 15 115.62 0.05 . 1 . . . . 77 SER N . 16249 1 772 . 1 1 78 78 VAL H H 1 8.48 0.02 . 1 . . . . 78 VAL H . 16249 1 773 . 1 1 78 78 VAL HA H 1 3.59 0.02 . 1 . . . . 78 VAL HA . 16249 1 774 . 1 1 78 78 VAL HB H 1 1.92 0.02 . 1 . . . . 78 VAL HB . 16249 1 775 . 1 1 78 78 VAL HG11 H 1 1.05 0.02 . 1 . . . . 78 VAL MG1 . 16249 1 776 . 1 1 78 78 VAL HG12 H 1 1.05 0.02 . 1 . . . . 78 VAL MG1 . 16249 1 777 . 1 1 78 78 VAL HG13 H 1 1.05 0.02 . 1 . . . . 78 VAL MG1 . 16249 1 778 . 1 1 78 78 VAL HG21 H 1 0.95 0.02 . 1 . . . . 78 VAL MG2 . 16249 1 779 . 1 1 78 78 VAL HG22 H 1 0.95 0.02 . 1 . . . . 78 VAL MG2 . 16249 1 780 . 1 1 78 78 VAL HG23 H 1 0.95 0.02 . 1 . . . . 78 VAL MG2 . 16249 1 781 . 1 1 78 78 VAL C C 13 178.18 0.05 . 1 . . . . 78 VAL C . 16249 1 782 . 1 1 78 78 VAL CA C 13 67.92 0.05 . 1 . . . . 78 VAL CA . 16249 1 783 . 1 1 78 78 VAL CB C 13 31.91 0.05 . 1 . . . . 78 VAL CB . 16249 1 784 . 1 1 78 78 VAL CG1 C 13 23.64 0.05 . 1 . . . . 78 VAL CG1 . 16249 1 785 . 1 1 78 78 VAL CG2 C 13 23.43 0.05 . 1 . . . . 78 VAL CG2 . 16249 1 786 . 1 1 78 78 VAL N N 15 121.29 0.05 . 1 . . . . 78 VAL N . 16249 1 787 . 1 1 79 79 VAL H H 1 8.52 0.02 . 1 . . . . 79 VAL H . 16249 1 788 . 1 1 79 79 VAL HA H 1 3.26 0.02 . 1 . . . . 79 VAL HA . 16249 1 789 . 1 1 79 79 VAL HB H 1 2.09 0.02 . 1 . . . . 79 VAL HB . 16249 1 790 . 1 1 79 79 VAL HG11 H 1 0.76 0.02 . 1 . . . . 79 VAL MG1 . 16249 1 791 . 1 1 79 79 VAL HG12 H 1 0.76 0.02 . 1 . . . . 79 VAL MG1 . 16249 1 792 . 1 1 79 79 VAL HG13 H 1 0.76 0.02 . 1 . . . . 79 VAL MG1 . 16249 1 793 . 1 1 79 79 VAL HG21 H 1 0.82 0.02 . 1 . . . . 79 VAL MG2 . 16249 1 794 . 1 1 79 79 VAL HG22 H 1 0.82 0.02 . 1 . . . . 79 VAL MG2 . 16249 1 795 . 1 1 79 79 VAL HG23 H 1 0.82 0.02 . 1 . . . . 79 VAL MG2 . 16249 1 796 . 1 1 79 79 VAL CA C 13 67.80 0.05 . 1 . . . . 79 VAL CA . 16249 1 797 . 1 1 79 79 VAL CB C 13 31.33 0.05 . 1 . . . . 79 VAL CB . 16249 1 798 . 1 1 79 79 VAL CG1 C 13 21.00 0.05 . 1 . . . . 79 VAL CG1 . 16249 1 799 . 1 1 79 79 VAL CG2 C 13 24.41 0.05 . 1 . . . . 79 VAL CG2 . 16249 1 800 . 1 1 79 79 VAL N N 15 118.80 0.05 . 1 . . . . 79 VAL N . 16249 1 801 . 1 1 80 80 SER H H 1 8.05 0.02 . 1 . . . . 80 SER H . 16249 1 802 . 1 1 80 80 SER HA H 1 4.11 0.02 . 1 . . . . 80 SER HA . 16249 1 803 . 1 1 80 80 SER HB2 H 1 4.04 0.02 . 1 . . . . 80 SER HB2 . 16249 1 804 . 1 1 80 80 SER HB3 H 1 4.04 0.02 . 1 . . . . 80 SER HB3 . 16249 1 805 . 1 1 80 80 SER C C 13 177.39 0.05 . 1 . . . . 80 SER C . 16249 1 806 . 1 1 80 80 SER CA C 13 62.11 0.05 . 1 . . . . 80 SER CA . 16249 1 807 . 1 1 80 80 SER CB C 13 62.81 0.05 . 1 . . . . 80 SER CB . 16249 1 808 . 1 1 80 80 SER N N 15 114.10 0.05 . 1 . . . . 80 SER N . 16249 1 809 . 1 1 81 81 GLN H H 1 8.08 0.02 . 1 . . . . 81 GLN H . 16249 1 810 . 1 1 81 81 GLN HA H 1 4.15 0.02 . 1 . . . . 81 GLN HA . 16249 1 811 . 1 1 81 81 GLN HB2 H 1 2.04 0.02 . 1 . . . . 81 GLN HB2 . 16249 1 812 . 1 1 81 81 GLN HB3 H 1 2.16 0.02 . 1 . . . . 81 GLN HB3 . 16249 1 813 . 1 1 81 81 GLN HE21 H 1 6.99 0.02 . 1 . . . . 81 GLN HE21 . 16249 1 814 . 1 1 81 81 GLN HE22 H 1 6.75 0.02 . 1 . . . . 81 GLN HE22 . 16249 1 815 . 1 1 81 81 GLN HG2 H 1 2.72 0.02 . 1 . . . . 81 GLN HG2 . 16249 1 816 . 1 1 81 81 GLN HG3 H 1 2.31 0.02 . 1 . . . . 81 GLN HG3 . 16249 1 817 . 1 1 81 81 GLN C C 13 179.85 0.05 . 1 . . . . 81 GLN C . 16249 1 818 . 1 1 81 81 GLN CA C 13 59.05 0.05 . 1 . . . . 81 GLN CA . 16249 1 819 . 1 1 81 81 GLN CB C 13 30.70 0.05 . 1 . . . . 81 GLN CB . 16249 1 820 . 1 1 81 81 GLN CD C 13 180.30 0.05 . 1 . . . . 81 GLN CD . 16249 1 821 . 1 1 81 81 GLN CG C 13 35.14 0.05 . 1 . . . . 81 GLN CG . 16249 1 822 . 1 1 81 81 GLN N N 15 120.47 0.05 . 1 . . . . 81 GLN N . 16249 1 823 . 1 1 81 81 GLN NE2 N 15 110.53 0.05 . 1 . . . . 81 GLN NE2 . 16249 1 824 . 1 1 82 82 VAL H H 1 9.11 0.02 . 1 . . . . 82 VAL H . 16249 1 825 . 1 1 82 82 VAL HA H 1 3.23 0.02 . 1 . . . . 82 VAL HA . 16249 1 826 . 1 1 82 82 VAL HB H 1 2.07 0.02 . 1 . . . . 82 VAL HB . 16249 1 827 . 1 1 82 82 VAL HG11 H 1 0.83 0.02 . 1 . . . . 82 VAL MG1 . 16249 1 828 . 1 1 82 82 VAL HG12 H 1 0.83 0.02 . 1 . . . . 82 VAL MG1 . 16249 1 829 . 1 1 82 82 VAL HG13 H 1 0.83 0.02 . 1 . . . . 82 VAL MG1 . 16249 1 830 . 1 1 82 82 VAL HG21 H 1 0.90 0.02 . 1 . . . . 82 VAL MG2 . 16249 1 831 . 1 1 82 82 VAL HG22 H 1 0.90 0.02 . 1 . . . . 82 VAL MG2 . 16249 1 832 . 1 1 82 82 VAL HG23 H 1 0.90 0.02 . 1 . . . . 82 VAL MG2 . 16249 1 833 . 1 1 82 82 VAL C C 13 178.88 0.05 . 1 . . . . 82 VAL C . 16249 1 834 . 1 1 82 82 VAL CA C 13 67.40 0.05 . 1 . . . . 82 VAL CA . 16249 1 835 . 1 1 82 82 VAL CB C 13 31.27 0.05 . 1 . . . . 82 VAL CB . 16249 1 836 . 1 1 82 82 VAL CG1 C 13 22.55 0.05 . 1 . . . . 82 VAL CG1 . 16249 1 837 . 1 1 82 82 VAL CG2 C 13 23.47 0.05 . 1 . . . . 82 VAL CG2 . 16249 1 838 . 1 1 82 82 VAL N N 15 122.55 0.05 . 1 . . . . 82 VAL N . 16249 1 839 . 1 1 83 83 SER H H 1 8.35 0.02 . 1 . . . . 83 SER H . 16249 1 840 . 1 1 83 83 SER HA H 1 4.00 0.02 . 1 . . . . 83 SER HA . 16249 1 841 . 1 1 83 83 SER HB2 H 1 3.98 0.02 . 1 . . . . 83 SER HB2 . 16249 1 842 . 1 1 83 83 SER HB3 H 1 3.98 0.02 . 1 . . . . 83 SER HB3 . 16249 1 843 . 1 1 83 83 SER C C 13 177.02 0.05 . 1 . . . . 83 SER C . 16249 1 844 . 1 1 83 83 SER CA C 13 61.50 0.05 . 1 . . . . 83 SER CA . 16249 1 845 . 1 1 83 83 SER CB C 13 62.94 0.05 . 1 . . . . 83 SER CB . 16249 1 846 . 1 1 83 83 SER N N 15 113.73 0.05 . 1 . . . . 83 SER N . 16249 1 847 . 1 1 84 84 ALA H H 1 7.87 0.02 . 1 . . . . 84 ALA H . 16249 1 848 . 1 1 84 84 ALA HA H 1 4.09 0.02 . 1 . . . . 84 ALA HA . 16249 1 849 . 1 1 84 84 ALA HB1 H 1 1.47 0.02 . 1 . . . . 84 ALA MB . 16249 1 850 . 1 1 84 84 ALA HB2 H 1 1.47 0.02 . 1 . . . . 84 ALA MB . 16249 1 851 . 1 1 84 84 ALA HB3 H 1 1.47 0.02 . 1 . . . . 84 ALA MB . 16249 1 852 . 1 1 84 84 ALA C C 13 179.61 0.05 . 1 . . . . 84 ALA C . 16249 1 853 . 1 1 84 84 ALA CA C 13 54.54 0.05 . 1 . . . . 84 ALA CA . 16249 1 854 . 1 1 84 84 ALA CB C 13 18.56 0.05 . 1 . . . . 84 ALA CB . 16249 1 855 . 1 1 84 84 ALA N N 15 120.63 0.05 . 1 . . . . 84 ALA N . 16249 1 856 . 1 1 85 85 SER H H 1 7.49 0.02 . 1 . . . . 85 SER H . 16249 1 857 . 1 1 85 85 SER HA H 1 4.41 0.02 . 1 . . . . 85 SER HA . 16249 1 858 . 1 1 85 85 SER HB2 H 1 3.99 0.02 . 1 . . . . 85 SER HB2 . 16249 1 859 . 1 1 85 85 SER HB3 H 1 3.90 0.02 . 1 . . . . 85 SER HB3 . 16249 1 860 . 1 1 85 85 SER HG H 1 4.71 0.02 . 1 . . . . 85 SER HG . 16249 1 861 . 1 1 85 85 SER C C 13 173.95 0.05 . 1 . . . . 85 SER C . 16249 1 862 . 1 1 85 85 SER CA C 13 59.21 0.05 . 1 . . . . 85 SER CA . 16249 1 863 . 1 1 85 85 SER CB C 13 64.40 0.05 . 1 . . . . 85 SER CB . 16249 1 864 . 1 1 85 85 SER N N 15 108.57 0.05 . 1 . . . . 85 SER N . 16249 1 865 . 1 1 86 86 ASN H H 1 7.42 0.02 . 1 . . . . 86 ASN H . 16249 1 866 . 1 1 86 86 ASN HA H 1 5.13 0.02 . 1 . . . . 86 ASN HA . 16249 1 867 . 1 1 86 86 ASN HB2 H 1 2.69 0.02 . 1 . . . . 86 ASN HB2 . 16249 1 868 . 1 1 86 86 ASN HB3 H 1 2.45 0.02 . 1 . . . . 86 ASN HB3 . 16249 1 869 . 1 1 86 86 ASN HD21 H 1 7.85 0.02 . 1 . . . . 86 ASN HD21 . 16249 1 870 . 1 1 86 86 ASN HD22 H 1 6.88 0.02 . 1 . . . . 86 ASN HD22 . 16249 1 871 . 1 1 86 86 ASN C C 13 174.00 0.05 . 1 . . . . 86 ASN C . 16249 1 872 . 1 1 86 86 ASN CA C 13 51.84 0.05 . 1 . . . . 86 ASN CA . 16249 1 873 . 1 1 86 86 ASN CB C 13 40.43 0.05 . 1 . . . . 86 ASN CB . 16249 1 874 . 1 1 86 86 ASN CG C 13 178.80 0.05 . 1 . . . . 86 ASN CG . 16249 1 875 . 1 1 86 86 ASN N N 15 118.65 0.05 . 1 . . . . 86 ASN N . 16249 1 876 . 1 1 86 86 ASN ND2 N 15 114.17 0.05 . 1 . . . . 86 ASN ND2 . 16249 1 877 . 1 1 87 87 PRO HA H 1 4.51 0.02 . 1 . . . . 87 PRO HA . 16249 1 878 . 1 1 87 87 PRO HB2 H 1 1.93 0.02 . 1 . . . . 87 PRO HB2 . 16249 1 879 . 1 1 87 87 PRO HB3 H 1 2.28 0.02 . 1 . . . . 87 PRO HB3 . 16249 1 880 . 1 1 87 87 PRO HD2 H 1 3.62 0.02 . 1 . . . . 87 PRO HD2 . 16249 1 881 . 1 1 87 87 PRO HD3 H 1 3.39 0.02 . 1 . . . . 87 PRO HD3 . 16249 1 882 . 1 1 87 87 PRO HG2 H 1 1.98 0.02 . 1 . . . . 87 PRO HG2 . 16249 1 883 . 1 1 87 87 PRO HG3 H 1 1.98 0.02 . 1 . . . . 87 PRO HG3 . 16249 1 884 . 1 1 87 87 PRO CA C 13 64.30 0.05 . 1 . . . . 87 PRO CA . 16249 1 885 . 1 1 87 87 PRO CB C 13 31.84 0.05 . 1 . . . . 87 PRO CB . 16249 1 886 . 1 1 87 87 PRO CD C 13 50.34 0.05 . 1 . . . . 87 PRO CD . 16249 1 887 . 1 1 87 87 PRO CG C 13 27.35 0.05 . 1 . . . . 87 PRO CG . 16249 1 888 . 1 1 88 88 GLY H H 1 8.58 0.02 . 1 . . . . 88 GLY H . 16249 1 889 . 1 1 88 88 GLY HA2 H 1 3.90 0.02 . 2 . . . . 88 GLY HA2 . 16249 1 890 . 1 1 88 88 GLY HA3 H 1 3.82 0.02 . 2 . . . . 88 GLY HA3 . 16249 1 891 . 1 1 88 88 GLY C C 13 174.74 0.05 . 1 . . . . 88 GLY C . 16249 1 892 . 1 1 88 88 GLY CA C 13 45.17 0.05 . 1 . . . . 88 GLY CA . 16249 1 893 . 1 1 88 88 GLY N N 15 108.21 0.05 . 1 . . . . 88 GLY N . 16249 1 894 . 1 1 89 89 LEU H H 1 7.19 0.02 . 1 . . . . 89 LEU H . 16249 1 895 . 1 1 89 89 LEU HA H 1 4.43 0.02 . 1 . . . . 89 LEU HA . 16249 1 896 . 1 1 89 89 LEU HB2 H 1 1.67 0.02 . 1 . . . . 89 LEU HB2 . 16249 1 897 . 1 1 89 89 LEU HB3 H 1 1.54 0.02 . 1 . . . . 89 LEU HB3 . 16249 1 898 . 1 1 89 89 LEU HG H 1 1.68 0.02 . 1 . . . . 89 LEU HG . 16249 1 899 . 1 1 89 89 LEU C C 13 177.52 0.05 . 1 . . . . 89 LEU C . 16249 1 900 . 1 1 89 89 LEU CA C 13 54.48 0.05 . 1 . . . . 89 LEU CA . 16249 1 901 . 1 1 89 89 LEU CB C 13 43.16 0.05 . 1 . . . . 89 LEU CB . 16249 1 902 . 1 1 89 89 LEU CD1 C 13 22.40 0.05 . 1 . . . . 89 LEU CD1 . 16249 1 903 . 1 1 89 89 LEU CD2 C 13 25.00 0.05 . 1 . . . . 89 LEU CD2 . 16249 1 904 . 1 1 89 89 LEU CG C 13 26.57 0.05 . 1 . . . . 89 LEU CG . 16249 1 905 . 1 1 89 89 LEU N N 15 120.38 0.05 . 1 . . . . 89 LEU N . 16249 1 906 . 1 1 90 90 SER H H 1 8.98 0.02 . 1 . . . . 90 SER H . 16249 1 907 . 1 1 90 90 SER HA H 1 4.39 0.02 . 1 . . . . 90 SER HA . 16249 1 908 . 1 1 90 90 SER HB2 H 1 4.09 0.02 . 1 . . . . 90 SER HB2 . 16249 1 909 . 1 1 90 90 SER HB3 H 1 4.24 0.02 . 1 . . . . 90 SER HB3 . 16249 1 910 . 1 1 90 90 SER HG H 1 4.70 0.02 . 1 . . . . 90 SER HG . 16249 1 911 . 1 1 90 90 SER C C 13 174.48 0.05 . 1 . . . . 90 SER C . 16249 1 912 . 1 1 90 90 SER CA C 13 58.17 0.05 . 1 . . . . 90 SER CA . 16249 1 913 . 1 1 90 90 SER CB C 13 65.10 0.05 . 1 . . . . 90 SER CB . 16249 1 914 . 1 1 90 90 SER N N 15 119.13 0.05 . 1 . . . . 90 SER N . 16249 1 915 . 1 1 91 91 GLY H H 1 8.75 0.02 . 1 . . . . 91 GLY H . 16249 1 916 . 1 1 91 91 GLY HA2 H 1 3.66 0.02 . 2 . . . . 91 GLY HA2 . 16249 1 917 . 1 1 91 91 GLY HA3 H 1 3.64 0.02 . 2 . . . . 91 GLY HA3 . 16249 1 918 . 1 1 91 91 GLY CA C 13 47.52 0.05 . 1 . . . . 91 GLY CA . 16249 1 919 . 1 1 91 91 GLY N N 15 107.55 0.05 . 1 . . . . 91 GLY N . 16249 1 920 . 1 1 92 92 CYS H H 1 8.62 0.02 . 1 . . . . 92 CYS H . 16249 1 921 . 1 1 92 92 CYS HA H 1 4.01 0.02 . 1 . . . . 92 CYS HA . 16249 1 922 . 1 1 92 92 CYS HB2 H 1 3.29 0.02 . 1 . . . . 92 CYS HB2 . 16249 1 923 . 1 1 92 92 CYS HB3 H 1 3.06 0.02 . 1 . . . . 92 CYS HB3 . 16249 1 924 . 1 1 92 92 CYS CA C 13 61.44 0.05 . 1 . . . . 92 CYS CA . 16249 1 925 . 1 1 92 92 CYS CB C 13 44.53 0.05 . 1 . . . . 92 CYS CB . 16249 1 926 . 1 1 92 92 CYS N N 15 120.69 0.05 . 1 . . . . 92 CYS N . 16249 1 927 . 1 1 93 93 ASP H H 1 7.72 0.02 . 1 . . . . 93 ASP H . 16249 1 928 . 1 1 93 93 ASP HA H 1 4.13 0.02 . 1 . . . . 93 ASP HA . 16249 1 929 . 1 1 93 93 ASP HB2 H 1 2.83 0.02 . 1 . . . . 93 ASP HB2 . 16249 1 930 . 1 1 93 93 ASP HB3 H 1 2.43 0.02 . 1 . . . . 93 ASP HB3 . 16249 1 931 . 1 1 93 93 ASP C C 13 179.07 0.05 . 1 . . . . 93 ASP C . 16249 1 932 . 1 1 93 93 ASP CA C 13 58.26 0.05 . 1 . . . . 93 ASP CA . 16249 1 933 . 1 1 93 93 ASP CB C 13 41.96 0.05 . 1 . . . . 93 ASP CB . 16249 1 934 . 1 1 93 93 ASP N N 15 120.10 0.05 . 1 . . . . 93 ASP N . 16249 1 935 . 1 1 94 94 VAL H H 1 8.26 0.02 . 1 . . . . 94 VAL H . 16249 1 936 . 1 1 94 94 VAL HA H 1 3.33 0.02 . 1 . . . . 94 VAL HA . 16249 1 937 . 1 1 94 94 VAL HB H 1 2.02 0.02 . 1 . . . . 94 VAL HB . 16249 1 938 . 1 1 94 94 VAL HG11 H 1 0.85 0.02 . 1 . . . . 94 VAL MG1 . 16249 1 939 . 1 1 94 94 VAL HG12 H 1 0.85 0.02 . 1 . . . . 94 VAL MG1 . 16249 1 940 . 1 1 94 94 VAL HG13 H 1 0.85 0.02 . 1 . . . . 94 VAL MG1 . 16249 1 941 . 1 1 94 94 VAL HG21 H 1 0.91 0.02 . 1 . . . . 94 VAL MG2 . 16249 1 942 . 1 1 94 94 VAL HG22 H 1 0.91 0.02 . 1 . . . . 94 VAL MG2 . 16249 1 943 . 1 1 94 94 VAL HG23 H 1 0.91 0.02 . 1 . . . . 94 VAL MG2 . 16249 1 944 . 1 1 94 94 VAL C C 13 177.02 0.05 . 1 . . . . 94 VAL C . 16249 1 945 . 1 1 94 94 VAL CA C 13 66.41 0.05 . 1 . . . . 94 VAL CA . 16249 1 946 . 1 1 94 94 VAL CB C 13 31.70 0.05 . 1 . . . . 94 VAL CB . 16249 1 947 . 1 1 94 94 VAL CG1 C 13 22.49 0.05 . 1 . . . . 94 VAL CG1 . 16249 1 948 . 1 1 94 94 VAL CG2 C 13 24.13 0.05 . 1 . . . . 94 VAL CG2 . 16249 1 949 . 1 1 94 94 VAL N N 15 118.47 0.05 . 1 . . . . 94 VAL N . 16249 1 950 . 1 1 95 95 LEU H H 1 7.58 0.02 . 1 . . . . 95 LEU H . 16249 1 951 . 1 1 95 95 LEU HA H 1 3.98 0.02 . 1 . . . . 95 LEU HA . 16249 1 952 . 1 1 95 95 LEU HB2 H 1 1.54 0.02 . 1 . . . . 95 LEU HB2 . 16249 1 953 . 1 1 95 95 LEU HB3 H 1 1.80 0.02 . 1 . . . . 95 LEU HB3 . 16249 1 954 . 1 1 95 95 LEU HD11 H 1 0.81 0.02 . 1 . . . . 95 LEU MD1 . 16249 1 955 . 1 1 95 95 LEU HD12 H 1 0.81 0.02 . 1 . . . . 95 LEU MD1 . 16249 1 956 . 1 1 95 95 LEU HD13 H 1 0.81 0.02 . 1 . . . . 95 LEU MD1 . 16249 1 957 . 1 1 95 95 LEU HD21 H 1 0.79 0.02 . 1 . . . . 95 LEU MD2 . 16249 1 958 . 1 1 95 95 LEU HD22 H 1 0.79 0.02 . 1 . . . . 95 LEU MD2 . 16249 1 959 . 1 1 95 95 LEU HD23 H 1 0.79 0.02 . 1 . . . . 95 LEU MD2 . 16249 1 960 . 1 1 95 95 LEU HG H 1 1.83 0.02 . 1 . . . . 95 LEU HG . 16249 1 961 . 1 1 95 95 LEU C C 13 178.37 0.05 . 1 . . . . 95 LEU C . 16249 1 962 . 1 1 95 95 LEU CA C 13 57.66 0.05 . 1 . . . . 95 LEU CA . 16249 1 963 . 1 1 95 95 LEU CB C 13 42.16 0.05 . 1 . . . . 95 LEU CB . 16249 1 964 . 1 1 95 95 LEU CD1 C 13 23.39 0.05 . 1 . . . . 95 LEU CD1 . 16249 1 965 . 1 1 95 95 LEU CD2 C 13 26.64 0.05 . 1 . . . . 95 LEU CD2 . 16249 1 966 . 1 1 95 95 LEU CG C 13 26.80 0.05 . 1 . . . . 95 LEU CG . 16249 1 967 . 1 1 95 95 LEU N N 15 119.38 0.05 . 1 . . . . 95 LEU N . 16249 1 968 . 1 1 96 96 VAL H H 1 8.52 0.02 . 1 . . . . 96 VAL H . 16249 1 969 . 1 1 96 96 VAL HA H 1 3.21 0.02 . 1 . . . . 96 VAL HA . 16249 1 970 . 1 1 96 96 VAL HB H 1 2.04 0.02 . 1 . . . . 96 VAL HB . 16249 1 971 . 1 1 96 96 VAL HG11 H 1 0.66 0.02 . 1 . . . . 96 VAL MG1 . 16249 1 972 . 1 1 96 96 VAL HG12 H 1 0.66 0.02 . 1 . . . . 96 VAL MG1 . 16249 1 973 . 1 1 96 96 VAL HG13 H 1 0.66 0.02 . 1 . . . . 96 VAL MG1 . 16249 1 974 . 1 1 96 96 VAL HG21 H 1 0.98 0.02 . 1 . . . . 96 VAL MG2 . 16249 1 975 . 1 1 96 96 VAL HG22 H 1 0.98 0.02 . 1 . . . . 96 VAL MG2 . 16249 1 976 . 1 1 96 96 VAL HG23 H 1 0.98 0.02 . 1 . . . . 96 VAL MG2 . 16249 1 977 . 1 1 96 96 VAL C C 13 177.10 0.05 . 1 . . . . 96 VAL C . 16249 1 978 . 1 1 96 96 VAL CA C 13 67.73 0.05 . 1 . . . . 96 VAL CA . 16249 1 979 . 1 1 96 96 VAL CB C 13 31.65 0.05 . 1 . . . . 96 VAL CB . 16249 1 980 . 1 1 96 96 VAL CG1 C 13 21.40 0.05 . 1 . . . . 96 VAL CG1 . 16249 1 981 . 1 1 96 96 VAL CG2 C 13 25.47 0.05 . 1 . . . . 96 VAL CG2 . 16249 1 982 . 1 1 96 96 VAL N N 15 118.35 0.05 . 1 . . . . 96 VAL N . 16249 1 983 . 1 1 97 97 GLN H H 1 7.78 0.02 . 1 . . . . 97 GLN H . 16249 1 984 . 1 1 97 97 GLN HA H 1 3.59 0.02 . 1 . . . . 97 GLN HA . 16249 1 985 . 1 1 97 97 GLN HB2 H 1 1.99 0.02 . 1 . . . . 97 GLN HB2 . 16249 1 986 . 1 1 97 97 GLN HB3 H 1 2.07 0.02 . 1 . . . . 97 GLN HB3 . 16249 1 987 . 1 1 97 97 GLN HE21 H 1 8.92 0.02 . 1 . . . . 97 GLN HE21 . 16249 1 988 . 1 1 97 97 GLN HE22 H 1 5.94 0.02 . 1 . . . . 97 GLN HE22 . 16249 1 989 . 1 1 97 97 GLN HG2 H 1 2.28 0.02 . 2 . . . . 97 GLN HG2 . 16249 1 990 . 1 1 97 97 GLN HG3 H 1 2.08 0.02 . 2 . . . . 97 GLN HG3 . 16249 1 991 . 1 1 97 97 GLN C C 13 177.50 0.05 . 1 . . . . 97 GLN C . 16249 1 992 . 1 1 97 97 GLN CA C 13 59.62 0.05 . 1 . . . . 97 GLN CA . 16249 1 993 . 1 1 97 97 GLN CB C 13 27.68 0.05 . 1 . . . . 97 GLN CB . 16249 1 994 . 1 1 97 97 GLN CD C 13 179.88 0.05 . 1 . . . . 97 GLN CD . 16249 1 995 . 1 1 97 97 GLN CG C 13 32.70 0.05 . 1 . . . . 97 GLN CG . 16249 1 996 . 1 1 97 97 GLN N N 15 117.66 0.05 . 1 . . . . 97 GLN N . 16249 1 997 . 1 1 97 97 GLN NE2 N 15 110.47 0.05 . 1 . . . . 97 GLN NE2 . 16249 1 998 . 1 1 98 98 ALA H H 1 8.78 0.02 . 1 . . . . 98 ALA H . 16249 1 999 . 1 1 98 98 ALA HA H 1 3.88 0.02 . 1 . . . . 98 ALA HA . 16249 1 1000 . 1 1 98 98 ALA HB1 H 1 1.29 0.02 . 1 . . . . 98 ALA MB . 16249 1 1001 . 1 1 98 98 ALA HB2 H 1 1.29 0.02 . 1 . . . . 98 ALA MB . 16249 1 1002 . 1 1 98 98 ALA HB3 H 1 1.29 0.02 . 1 . . . . 98 ALA MB . 16249 1 1003 . 1 1 98 98 ALA C C 13 179.88 0.05 . 1 . . . . 98 ALA C . 16249 1 1004 . 1 1 98 98 ALA CA C 13 54.78 0.05 . 1 . . . . 98 ALA CA . 16249 1 1005 . 1 1 98 98 ALA CB C 13 20.10 0.05 . 1 . . . . 98 ALA CB . 16249 1 1006 . 1 1 98 98 ALA N N 15 118.47 0.05 . 1 . . . . 98 ALA N . 16249 1 1007 . 1 1 99 99 LEU H H 1 8.66 0.02 . 1 . . . . 99 LEU H . 16249 1 1008 . 1 1 99 99 LEU HA H 1 3.95 0.02 . 1 . . . . 99 LEU HA . 16249 1 1009 . 1 1 99 99 LEU HB2 H 1 2.02 0.02 . 1 . . . . 99 LEU HB2 . 16249 1 1010 . 1 1 99 99 LEU HB3 H 1 1.05 0.02 . 1 . . . . 99 LEU HB3 . 16249 1 1011 . 1 1 99 99 LEU HD11 H 1 0.79 0.02 . 1 . . . . 99 LEU MD1 . 16249 1 1012 . 1 1 99 99 LEU HD12 H 1 0.79 0.02 . 1 . . . . 99 LEU MD1 . 16249 1 1013 . 1 1 99 99 LEU HD13 H 1 0.79 0.02 . 1 . . . . 99 LEU MD1 . 16249 1 1014 . 1 1 99 99 LEU HD21 H 1 0.63 0.02 . 1 . . . . 99 LEU MD2 . 16249 1 1015 . 1 1 99 99 LEU HD22 H 1 0.63 0.02 . 1 . . . . 99 LEU MD2 . 16249 1 1016 . 1 1 99 99 LEU HD23 H 1 0.63 0.02 . 1 . . . . 99 LEU MD2 . 16249 1 1017 . 1 1 99 99 LEU HG H 1 1.94 0.02 . 1 . . . . 99 LEU HG . 16249 1 1018 . 1 1 99 99 LEU C C 13 179.24 0.05 . 1 . . . . 99 LEU C . 16249 1 1019 . 1 1 99 99 LEU CA C 13 57.76 0.05 . 1 . . . . 99 LEU CA . 16249 1 1020 . 1 1 99 99 LEU CB C 13 42.03 0.05 . 1 . . . . 99 LEU CB . 16249 1 1021 . 1 1 99 99 LEU CD1 C 13 27.66 0.05 . 1 . . . . 99 LEU CD1 . 16249 1 1022 . 1 1 99 99 LEU CD2 C 13 21.70 0.05 . 1 . . . . 99 LEU CD2 . 16249 1 1023 . 1 1 99 99 LEU CG C 13 27.05 0.05 . 1 . . . . 99 LEU CG . 16249 1 1024 . 1 1 99 99 LEU N N 15 115.42 0.05 . 1 . . . . 99 LEU N . 16249 1 1025 . 1 1 100 100 LEU H H 1 8.32 0.02 . 1 . . . . 100 LEU H . 16249 1 1026 . 1 1 100 100 LEU HA H 1 3.92 0.02 . 1 . . . . 100 LEU HA . 16249 1 1027 . 1 1 100 100 LEU HB2 H 1 1.33 0.02 . 1 . . . . 100 LEU HB2 . 16249 1 1028 . 1 1 100 100 LEU HB3 H 1 2.11 0.65 . 1 . . . . 100 LEU HB3 . 16249 1 1029 . 1 1 100 100 LEU HD11 H 1 0.65 0.65 . 1 . . . . 100 LEU MD1 . 16249 1 1030 . 1 1 100 100 LEU HD12 H 1 0.65 0.65 . 1 . . . . 100 LEU MD1 . 16249 1 1031 . 1 1 100 100 LEU HD13 H 1 0.65 0.65 . 1 . . . . 100 LEU MD1 . 16249 1 1032 . 1 1 100 100 LEU HD21 H 1 0.68 0.68 . 1 . . . . 100 LEU MD2 . 16249 1 1033 . 1 1 100 100 LEU HD22 H 1 0.68 0.68 . 1 . . . . 100 LEU MD2 . 16249 1 1034 . 1 1 100 100 LEU HD23 H 1 0.68 0.68 . 1 . . . . 100 LEU MD2 . 16249 1 1035 . 1 1 100 100 LEU HG H 1 1.90 0.68 . 1 . . . . 100 LEU HG . 16249 1 1036 . 1 1 100 100 LEU C C 13 180.28 0.05 . 1 . . . . 100 LEU C . 16249 1 1037 . 1 1 100 100 LEU CA C 13 58.18 0.05 . 1 . . . . 100 LEU CA . 16249 1 1038 . 1 1 100 100 LEU CB C 13 41.98 0.05 . 1 . . . . 100 LEU CB . 16249 1 1039 . 1 1 100 100 LEU CD1 C 13 24.10 0.05 . 1 . . . . 100 LEU CD1 . 16249 1 1040 . 1 1 100 100 LEU CD2 C 13 26.73 0.05 . 1 . . . . 100 LEU CD2 . 16249 1 1041 . 1 1 100 100 LEU CG C 13 26.62 0.05 . 1 . . . . 100 LEU CG . 16249 1 1042 . 1 1 100 100 LEU N N 15 119.94 0.05 . 1 . . . . 100 LEU N . 16249 1 1043 . 1 1 101 101 GLU H H 1 8.27 0.02 . 1 . . . . 101 GLU H . 16249 1 1044 . 1 1 101 101 GLU HA H 1 3.75 0.02 . 1 . . . . 101 GLU HA . 16249 1 1045 . 1 1 101 101 GLU HB2 H 1 2.09 0.02 . 1 . . . . 101 GLU HB2 . 16249 1 1046 . 1 1 101 101 GLU HB3 H 1 1.89 0.02 . 1 . . . . 101 GLU HB3 . 16249 1 1047 . 1 1 101 101 GLU HG2 H 1 2.45 0.02 . 1 . . . . 101 GLU HG2 . 16249 1 1048 . 1 1 101 101 GLU HG3 H 1 2.45 0.02 . 1 . . . . 101 GLU HG3 . 16249 1 1049 . 1 1 101 101 GLU C C 13 178.81 0.05 . 1 . . . . 101 GLU C . 16249 1 1050 . 1 1 101 101 GLU CA C 13 61.07 0.05 . 1 . . . . 101 GLU CA . 16249 1 1051 . 1 1 101 101 GLU CB C 13 28.52 0.05 . 1 . . . . 101 GLU CB . 16249 1 1052 . 1 1 101 101 GLU CG C 13 38.37 0.05 . 1 . . . . 101 GLU CG . 16249 1 1053 . 1 1 101 101 GLU N N 15 124.79 0.05 . 1 . . . . 101 GLU N . 16249 1 1054 . 1 1 102 102 VAL H H 1 8.41 0.02 . 1 . . . . 102 VAL H . 16249 1 1055 . 1 1 102 102 VAL HA H 1 3.46 0.02 . 1 . . . . 102 VAL HA . 16249 1 1056 . 1 1 102 102 VAL HB H 1 2.21 0.02 . 1 . . . . 102 VAL HB . 16249 1 1057 . 1 1 102 102 VAL HG11 H 1 0.77 0.02 . 1 . . . . 102 VAL MG1 . 16249 1 1058 . 1 1 102 102 VAL HG12 H 1 0.77 0.02 . 1 . . . . 102 VAL MG1 . 16249 1 1059 . 1 1 102 102 VAL HG13 H 1 0.77 0.02 . 1 . . . . 102 VAL MG1 . 16249 1 1060 . 1 1 102 102 VAL HG21 H 1 0.92 0.02 . 1 . . . . 102 VAL MG2 . 16249 1 1061 . 1 1 102 102 VAL HG22 H 1 0.92 0.02 . 1 . . . . 102 VAL MG2 . 16249 1 1062 . 1 1 102 102 VAL HG23 H 1 0.92 0.02 . 1 . . . . 102 VAL MG2 . 16249 1 1063 . 1 1 102 102 VAL C C 13 178.22 0.05 . 1 . . . . 102 VAL C . 16249 1 1064 . 1 1 102 102 VAL CA C 13 67.80 0.05 . 1 . . . . 102 VAL CA . 16249 1 1065 . 1 1 102 102 VAL CB C 13 31.06 0.05 . 1 . . . . 102 VAL CB . 16249 1 1066 . 1 1 102 102 VAL CG1 C 13 20.95 0.05 . 1 . . . . 102 VAL CG1 . 16249 1 1067 . 1 1 102 102 VAL CG2 C 13 23.44 0.05 . 1 . . . . 102 VAL CG2 . 16249 1 1068 . 1 1 102 102 VAL N N 15 120.91 0.05 . 1 . . . . 102 VAL N . 16249 1 1069 . 1 1 103 103 VAL H H 1 9.01 0.02 . 1 . . . . 103 VAL H . 16249 1 1070 . 1 1 103 103 VAL HA H 1 3.29 0.02 . 1 . . . . 103 VAL HA . 16249 1 1071 . 1 1 103 103 VAL HB H 1 2.29 0.02 . 1 . . . . 103 VAL HB . 16249 1 1072 . 1 1 103 103 VAL HG11 H 1 0.72 0.02 . 1 . . . . 103 VAL MG1 . 16249 1 1073 . 1 1 103 103 VAL HG12 H 1 0.72 0.02 . 1 . . . . 103 VAL MG1 . 16249 1 1074 . 1 1 103 103 VAL HG13 H 1 0.72 0.02 . 1 . . . . 103 VAL MG1 . 16249 1 1075 . 1 1 103 103 VAL HG21 H 1 0.93 0.02 . 1 . . . . 103 VAL MG2 . 16249 1 1076 . 1 1 103 103 VAL HG22 H 1 0.93 0.02 . 1 . . . . 103 VAL MG2 . 16249 1 1077 . 1 1 103 103 VAL HG23 H 1 0.93 0.02 . 1 . . . . 103 VAL MG2 . 16249 1 1078 . 1 1 103 103 VAL C C 13 177.29 0.05 . 1 . . . . 103 VAL C . 16249 1 1079 . 1 1 103 103 VAL CA C 13 67.95 0.05 . 1 . . . . 103 VAL CA . 16249 1 1080 . 1 1 103 103 VAL CB C 13 31.31 0.05 . 1 . . . . 103 VAL CB . 16249 1 1081 . 1 1 103 103 VAL CG1 C 13 21.47 0.05 . 1 . . . . 103 VAL CG1 . 16249 1 1082 . 1 1 103 103 VAL CG2 C 13 25.13 0.05 . 1 . . . . 103 VAL CG2 . 16249 1 1083 . 1 1 103 103 VAL N N 15 120.77 0.05 . 1 . . . . 103 VAL N . 16249 1 1084 . 1 1 104 104 SER H H 1 8.10 0.02 . 1 . . . . 104 SER H . 16249 1 1085 . 1 1 104 104 SER HA H 1 4.32 0.02 . 1 . . . . 104 SER HA . 16249 1 1086 . 1 1 104 104 SER HB2 H 1 3.74 0.02 . 1 . . . . 104 SER HB2 . 16249 1 1087 . 1 1 104 104 SER HB3 H 1 3.91 0.02 . 1 . . . . 104 SER HB3 . 16249 1 1088 . 1 1 104 104 SER C C 13 175.88 0.05 . 1 . . . . 104 SER C . 16249 1 1089 . 1 1 104 104 SER CA C 13 63.29 0.05 . 1 . . . . 104 SER CA . 16249 1 1090 . 1 1 104 104 SER CB C 13 63.39 0.05 . 1 . . . . 104 SER CB . 16249 1 1091 . 1 1 104 104 SER N N 15 114.72 0.05 . 1 . . . . 104 SER N . 16249 1 1092 . 1 1 105 105 ALA H H 1 8.11 0.02 . 1 . . . . 105 ALA H . 16249 1 1093 . 1 1 105 105 ALA HA H 1 3.77 0.02 . 1 . . . . 105 ALA HA . 16249 1 1094 . 1 1 105 105 ALA HB1 H 1 1.38 0.02 . 1 . . . . 105 ALA MB . 16249 1 1095 . 1 1 105 105 ALA HB2 H 1 1.38 0.02 . 1 . . . . 105 ALA MB . 16249 1 1096 . 1 1 105 105 ALA HB3 H 1 1.38 0.02 . 1 . . . . 105 ALA MB . 16249 1 1097 . 1 1 105 105 ALA C C 13 178.71 0.05 . 1 . . . . 105 ALA C . 16249 1 1098 . 1 1 105 105 ALA CA C 13 54.93 0.05 . 1 . . . . 105 ALA CA . 16249 1 1099 . 1 1 105 105 ALA CB C 13 18.55 0.05 . 1 . . . . 105 ALA CB . 16249 1 1100 . 1 1 105 105 ALA N N 15 125.07 0.05 . 1 . . . . 105 ALA N . 16249 1 1101 . 1 1 106 106 LEU H H 1 8.33 0.02 . 1 . . . . 106 LEU H . 16249 1 1102 . 1 1 106 106 LEU HA H 1 3.77 0.02 . 1 . . . . 106 LEU HA . 16249 1 1103 . 1 1 106 106 LEU HB2 H 1 2.05 0.02 . 1 . . . . 106 LEU HB2 . 16249 1 1104 . 1 1 106 106 LEU HB3 H 1 1.01 0.02 . 1 . . . . 106 LEU HB3 . 16249 1 1105 . 1 1 106 106 LEU HD11 H 1 0.78 0.02 . 1 . . . . 106 LEU MD1 . 16249 1 1106 . 1 1 106 106 LEU HD12 H 1 0.78 0.02 . 1 . . . . 106 LEU MD1 . 16249 1 1107 . 1 1 106 106 LEU HD13 H 1 0.78 0.02 . 1 . . . . 106 LEU MD1 . 16249 1 1108 . 1 1 106 106 LEU HD21 H 1 0.59 0.02 . 1 . . . . 106 LEU MD2 . 16249 1 1109 . 1 1 106 106 LEU HD22 H 1 0.59 0.02 . 1 . . . . 106 LEU MD2 . 16249 1 1110 . 1 1 106 106 LEU HD23 H 1 0.59 0.02 . 1 . . . . 106 LEU MD2 . 16249 1 1111 . 1 1 106 106 LEU HG H 1 1.84 0.02 . 1 . . . . 106 LEU HG . 16249 1 1112 . 1 1 106 106 LEU C C 13 179.30 0.05 . 1 . . . . 106 LEU C . 16249 1 1113 . 1 1 106 106 LEU CA C 13 58.30 0.05 . 1 . . . . 106 LEU CA . 16249 1 1114 . 1 1 106 106 LEU CB C 13 42.20 0.05 . 1 . . . . 106 LEU CB . 16249 1 1115 . 1 1 106 106 LEU CD1 C 13 28.53 0.05 . 1 . . . . 106 LEU CD1 . 16249 1 1116 . 1 1 106 106 LEU CD2 C 13 23.02 0.05 . 1 . . . . 106 LEU CD2 . 16249 1 1117 . 1 1 106 106 LEU CG C 13 26.89 0.05 . 1 . . . . 106 LEU CG . 16249 1 1118 . 1 1 106 106 LEU N N 15 117.73 0.05 . 1 . . . . 106 LEU N . 16249 1 1119 . 1 1 107 107 VAL H H 1 8.78 0.02 . 1 . . . . 107 VAL H . 16249 1 1120 . 1 1 107 107 VAL HA H 1 3.25 0.02 . 1 . . . . 107 VAL HA . 16249 1 1121 . 1 1 107 107 VAL HB H 1 1.86 0.02 . 1 . . . . 107 VAL HB . 16249 1 1122 . 1 1 107 107 VAL HG11 H 1 0.58 0.02 . 1 . . . . 107 VAL MG1 . 16249 1 1123 . 1 1 107 107 VAL HG12 H 1 0.58 0.02 . 1 . . . . 107 VAL MG1 . 16249 1 1124 . 1 1 107 107 VAL HG13 H 1 0.58 0.02 . 1 . . . . 107 VAL MG1 . 16249 1 1125 . 1 1 107 107 VAL HG21 H 1 0.85 0.02 . 1 . . . . 107 VAL MG2 . 16249 1 1126 . 1 1 107 107 VAL HG22 H 1 0.85 0.02 . 1 . . . . 107 VAL MG2 . 16249 1 1127 . 1 1 107 107 VAL HG23 H 1 0.85 0.02 . 1 . . . . 107 VAL MG2 . 16249 1 1128 . 1 1 107 107 VAL C C 13 176.87 0.05 . 1 . . . . 107 VAL C . 16249 1 1129 . 1 1 107 107 VAL CA C 13 67.05 0.05 . 1 . . . . 107 VAL CA . 16249 1 1130 . 1 1 107 107 VAL CB C 13 31.59 0.05 . 1 . . . . 107 VAL CB . 16249 1 1131 . 1 1 107 107 VAL CG1 C 13 22.18 0.05 . 1 . . . . 107 VAL CG1 . 16249 1 1132 . 1 1 107 107 VAL CG2 C 13 23.90 0.05 . 1 . . . . 107 VAL CG2 . 16249 1 1133 . 1 1 107 107 VAL N N 15 118.99 0.05 . 1 . . . . 107 VAL N . 16249 1 1134 . 1 1 108 108 SER H H 1 7.55 0.02 . 1 . . . . 108 SER H . 16249 1 1135 . 1 1 108 108 SER HA H 1 3.37 0.02 . 1 . . . . 108 SER HA . 16249 1 1136 . 1 1 108 108 SER HB2 H 1 3.92 0.02 . 1 . . . . 108 SER HB2 . 16249 1 1137 . 1 1 108 108 SER HB3 H 1 3.63 0.02 . 1 . . . . 108 SER HB3 . 16249 1 1138 . 1 1 108 108 SER HG H 1 4.43 0.02 . 1 . . . . 108 SER HG . 16249 1 1139 . 1 1 108 108 SER C C 13 177.10 0.05 . 1 . . . . 108 SER C . 16249 1 1140 . 1 1 108 108 SER CA C 13 61.70 0.05 . 1 . . . . 108 SER CA . 16249 1 1141 . 1 1 108 108 SER CB C 13 62.88 0.05 . 1 . . . . 108 SER CB . 16249 1 1142 . 1 1 108 108 SER N N 15 114.80 0.05 . 1 . . . . 108 SER N . 16249 1 1143 . 1 1 109 109 ILE H H 1 7.68 0.02 . 1 . . . . 109 ILE H . 16249 1 1144 . 1 1 109 109 ILE HA H 1 3.35 0.02 . 1 . . . . 109 ILE HA . 16249 1 1145 . 1 1 109 109 ILE HB H 1 1.72 0.02 . 1 . . . . 109 ILE HB . 16249 1 1146 . 1 1 109 109 ILE HD11 H 1 0.77 0.02 . 1 . . . . 109 ILE MD . 16249 1 1147 . 1 1 109 109 ILE HD12 H 1 0.77 0.02 . 1 . . . . 109 ILE MD . 16249 1 1148 . 1 1 109 109 ILE HD13 H 1 0.77 0.02 . 1 . . . . 109 ILE MD . 16249 1 1149 . 1 1 109 109 ILE HG12 H 1 0.55 0.02 . 1 . . . . 109 ILE HG12 . 16249 1 1150 . 1 1 109 109 ILE HG13 H 1 2.00 0.02 . 1 . . . . 109 ILE HG13 . 16249 1 1151 . 1 1 109 109 ILE HG21 H 1 0.67 0.02 . 1 . . . . 109 ILE MG . 16249 1 1152 . 1 1 109 109 ILE HG22 H 1 0.67 0.02 . 1 . . . . 109 ILE MG . 16249 1 1153 . 1 1 109 109 ILE HG23 H 1 0.67 0.02 . 1 . . . . 109 ILE MG . 16249 1 1154 . 1 1 109 109 ILE C C 13 180.44 0.05 . 1 . . . . 109 ILE C . 16249 1 1155 . 1 1 109 109 ILE CA C 13 65.66 0.05 . 1 . . . . 109 ILE CA . 16249 1 1156 . 1 1 109 109 ILE CB C 13 38.32 0.05 . 1 . . . . 109 ILE CB . 16249 1 1157 . 1 1 109 109 ILE CD1 C 13 14.99 0.05 . 1 . . . . 109 ILE CD1 . 16249 1 1158 . 1 1 109 109 ILE CG1 C 13 29.70 0.05 . 1 . . . . 109 ILE CG1 . 16249 1 1159 . 1 1 109 109 ILE CG2 C 13 19.07 0.05 . 1 . . . . 109 ILE CG2 . 16249 1 1160 . 1 1 109 109 ILE N N 15 120.30 0.05 . 1 . . . . 109 ILE N . 16249 1 1161 . 1 1 110 110 LEU H H 1 8.40 0.02 . 1 . . . . 110 LEU H . 16249 1 1162 . 1 1 110 110 LEU HA H 1 3.75 0.02 . 1 . . . . 110 LEU HA . 16249 1 1163 . 1 1 110 110 LEU HB2 H 1 1.73 0.02 . 1 . . . . 110 LEU HB2 . 16249 1 1164 . 1 1 110 110 LEU HB3 H 1 1.16 0.02 . 1 . . . . 110 LEU HB3 . 16249 1 1165 . 1 1 110 110 LEU HD11 H 1 0.65 0.02 . 1 . . . . 110 LEU MD1 . 16249 1 1166 . 1 1 110 110 LEU HD12 H 1 0.65 0.02 . 1 . . . . 110 LEU MD1 . 16249 1 1167 . 1 1 110 110 LEU HD13 H 1 0.65 0.02 . 1 . . . . 110 LEU MD1 . 16249 1 1168 . 1 1 110 110 LEU HD21 H 1 0.60 0.02 . 1 . . . . 110 LEU MD2 . 16249 1 1169 . 1 1 110 110 LEU HD22 H 1 0.60 0.02 . 1 . . . . 110 LEU MD2 . 16249 1 1170 . 1 1 110 110 LEU HD23 H 1 0.60 0.02 . 1 . . . . 110 LEU MD2 . 16249 1 1171 . 1 1 110 110 LEU HG H 1 1.42 0.02 . 1 . . . . 110 LEU HG . 16249 1 1172 . 1 1 110 110 LEU C C 13 179.59 0.05 . 1 . . . . 110 LEU C . 16249 1 1173 . 1 1 110 110 LEU CA C 13 58.26 0.05 . 1 . . . . 110 LEU CA . 16249 1 1174 . 1 1 110 110 LEU CB C 13 41.65 0.05 . 1 . . . . 110 LEU CB . 16249 1 1175 . 1 1 110 110 LEU CD1 C 13 26.26 0.05 . 1 . . . . 110 LEU CD1 . 16249 1 1176 . 1 1 110 110 LEU CD2 C 13 25.00 0.05 . 1 . . . . 110 LEU CD2 . 16249 1 1177 . 1 1 110 110 LEU CG C 13 27.56 0.05 . 1 . . . . 110 LEU CG . 16249 1 1178 . 1 1 110 110 LEU N N 15 123.94 0.05 . 1 . . . . 110 LEU N . 16249 1 1179 . 1 1 111 111 GLY H H 1 8.34 0.02 . 1 . . . . 111 GLY H . 16249 1 1180 . 1 1 111 111 GLY HA2 H 1 3.91 0.02 . 1 . . . . 111 GLY HA2 . 16249 1 1181 . 1 1 111 111 GLY HA3 H 1 3.76 0.02 . 1 . . . . 111 GLY HA3 . 16249 1 1182 . 1 1 111 111 GLY C C 13 174.70 0.05 . 1 . . . . 111 GLY C . 16249 1 1183 . 1 1 111 111 GLY CA C 13 46.69 0.05 . 1 . . . . 111 GLY CA . 16249 1 1184 . 1 1 111 111 GLY N N 15 107.63 0.05 . 1 . . . . 111 GLY N . 16249 1 1185 . 1 1 112 112 SER H H 1 7.36 0.02 . 1 . . . . 112 SER H . 16249 1 1186 . 1 1 112 112 SER HA H 1 4.82 0.02 . 1 . . . . 112 SER HA . 16249 1 1187 . 1 1 112 112 SER HB2 H 1 4.13 0.02 . 1 . . . . 112 SER HB2 . 16249 1 1188 . 1 1 112 112 SER HB3 H 1 3.58 0.02 . 1 . . . . 112 SER HB3 . 16249 1 1189 . 1 1 112 112 SER HG H 1 4.19 0.02 . 1 . . . . 112 SER HG . 16249 1 1190 . 1 1 112 112 SER C C 13 173.65 0.05 . 1 . . . . 112 SER C . 16249 1 1191 . 1 1 112 112 SER CA C 13 57.96 0.05 . 1 . . . . 112 SER CA . 16249 1 1192 . 1 1 112 112 SER CB C 13 64.99 0.05 . 1 . . . . 112 SER CB . 16249 1 1193 . 1 1 112 112 SER N N 15 115.63 0.05 . 1 . . . . 112 SER N . 16249 1 1194 . 1 1 113 113 SER H H 1 7.43 0.02 . 1 . . . . 113 SER H . 16249 1 1195 . 1 1 113 113 SER HA H 1 5.08 0.02 . 1 . . . . 113 SER HA . 16249 1 1196 . 1 1 113 113 SER HB2 H 1 3.45 0.02 . 1 . . . . 113 SER HB2 . 16249 1 1197 . 1 1 113 113 SER HB3 H 1 3.62 0.02 . 1 . . . . 113 SER HB3 . 16249 1 1198 . 1 1 113 113 SER HG H 1 4.20 0.02 . 1 . . . . 113 SER HG . 16249 1 1199 . 1 1 113 113 SER C C 13 172.36 0.05 . 1 . . . . 113 SER C . 16249 1 1200 . 1 1 113 113 SER CA C 13 58.78 0.05 . 1 . . . . 113 SER CA . 16249 1 1201 . 1 1 113 113 SER CB C 13 65.23 0.05 . 1 . . . . 113 SER CB . 16249 1 1202 . 1 1 113 113 SER N N 15 115.93 0.05 . 1 . . . . 113 SER N . 16249 1 1203 . 1 1 114 114 SER H H 1 8.49 0.02 . 1 . . . . 114 SER H . 16249 1 1204 . 1 1 114 114 SER HA H 1 4.75 0.02 . 1 . . . . 114 SER HA . 16249 1 1205 . 1 1 114 114 SER HB2 H 1 3.70 0.02 . 1 . . . . 114 SER HB2 . 16249 1 1206 . 1 1 114 114 SER HB3 H 1 3.79 0.02 . 1 . . . . 114 SER HB3 . 16249 1 1207 . 1 1 114 114 SER C C 13 174.57 0.05 . 1 . . . . 114 SER C . 16249 1 1208 . 1 1 114 114 SER CA C 13 56.42 0.05 . 1 . . . . 114 SER CA . 16249 1 1209 . 1 1 114 114 SER CB C 13 63.81 0.05 . 1 . . . . 114 SER CB . 16249 1 1210 . 1 1 114 114 SER N N 15 116.72 0.05 . 1 . . . . 114 SER N . 16249 1 1211 . 1 1 115 115 ILE H H 1 8.80 0.02 . 1 . . . . 115 ILE H . 16249 1 1212 . 1 1 115 115 ILE HA H 1 4.04 0.02 . 1 . . . . 115 ILE HA . 16249 1 1213 . 1 1 115 115 ILE HB H 1 1.70 0.02 . 1 . . . . 115 ILE HB . 16249 1 1214 . 1 1 115 115 ILE HD11 H 1 0.73 0.02 . 1 . . . . 115 ILE MD . 16249 1 1215 . 1 1 115 115 ILE HD12 H 1 0.73 0.02 . 1 . . . . 115 ILE MD . 16249 1 1216 . 1 1 115 115 ILE HD13 H 1 0.73 0.02 . 1 . . . . 115 ILE MD . 16249 1 1217 . 1 1 115 115 ILE HG12 H 1 0.99 0.02 . 1 . . . . 115 ILE HG12 . 16249 1 1218 . 1 1 115 115 ILE HG13 H 1 1.44 0.02 . 1 . . . . 115 ILE HG13 . 16249 1 1219 . 1 1 115 115 ILE HG21 H 1 0.85 0.02 . 1 . . . . 115 ILE MG . 16249 1 1220 . 1 1 115 115 ILE HG22 H 1 0.85 0.02 . 1 . . . . 115 ILE MG . 16249 1 1221 . 1 1 115 115 ILE HG23 H 1 0.85 0.02 . 1 . . . . 115 ILE MG . 16249 1 1222 . 1 1 115 115 ILE C C 13 176.90 0.05 . 1 . . . . 115 ILE C . 16249 1 1223 . 1 1 115 115 ILE CA C 13 62.51 0.05 . 1 . . . . 115 ILE CA . 16249 1 1224 . 1 1 115 115 ILE CB C 13 38.32 0.05 . 1 . . . . 115 ILE CB . 16249 1 1225 . 1 1 115 115 ILE CD1 C 13 13.74 0.05 . 1 . . . . 115 ILE CD1 . 16249 1 1226 . 1 1 115 115 ILE CG1 C 13 27.04 0.05 . 1 . . . . 115 ILE CG1 . 16249 1 1227 . 1 1 115 115 ILE CG2 C 13 17.36 0.05 . 1 . . . . 115 ILE CG2 . 16249 1 1228 . 1 1 115 115 ILE N N 15 129.77 0.05 . 1 . . . . 115 ILE N . 16249 1 1229 . 1 1 116 116 GLY H H 1 7.79 0.02 . 1 . . . . 116 GLY H . 16249 1 1230 . 1 1 116 116 GLY HA2 H 1 4.42 0.02 . 1 . . . . 116 GLY HA2 . 16249 1 1231 . 1 1 116 116 GLY HA3 H 1 3.62 0.02 . 1 . . . . 116 GLY HA3 . 16249 1 1232 . 1 1 116 116 GLY C C 13 172.84 0.05 . 1 . . . . 116 GLY C . 16249 1 1233 . 1 1 116 116 GLY CA C 13 44.19 0.05 . 1 . . . . 116 GLY CA . 16249 1 1234 . 1 1 116 116 GLY N N 15 117.70 0.05 . 1 . . . . 116 GLY N . 16249 1 1235 . 1 1 117 117 GLN H H 1 8.16 0.02 . 1 . . . . 117 GLN H . 16249 1 1236 . 1 1 117 117 GLN HA H 1 4.17 0.02 . 1 . . . . 117 GLN HA . 16249 1 1237 . 1 1 117 117 GLN HB2 H 1 2.05 0.02 . 2 . . . . 117 GLN HB2 . 16249 1 1238 . 1 1 117 117 GLN HB3 H 1 1.92 0.02 . 2 . . . . 117 GLN HB3 . 16249 1 1239 . 1 1 117 117 GLN HE21 H 1 7.52 0.02 . 1 . . . . 117 GLN HE21 . 16249 1 1240 . 1 1 117 117 GLN HE22 H 1 6.79 0.02 . 1 . . . . 117 GLN HE22 . 16249 1 1241 . 1 1 117 117 GLN HG2 H 1 2.30 0.02 . 1 . . . . 117 GLN HG2 . 16249 1 1242 . 1 1 117 117 GLN HG3 H 1 2.30 0.02 . 1 . . . . 117 GLN HG3 . 16249 1 1243 . 1 1 117 117 GLN C C 13 176.45 0.05 . 1 . . . . 117 GLN C . 16249 1 1244 . 1 1 117 117 GLN CA C 13 55.98 0.05 . 1 . . . . 117 GLN CA . 16249 1 1245 . 1 1 117 117 GLN CB C 13 28.85 0.05 . 1 . . . . 117 GLN CB . 16249 1 1246 . 1 1 117 117 GLN CG C 13 33.76 0.05 . 1 . . . . 117 GLN CG . 16249 1 1247 . 1 1 117 117 GLN N N 15 120.21 0.05 . 1 . . . . 117 GLN N . 16249 1 1248 . 1 1 117 117 GLN NE2 N 15 111.90 0.05 . 1 . . . . 117 GLN NE2 . 16249 1 1249 . 1 1 118 118 ILE H H 1 8.30 0.02 . 1 . . . . 118 ILE H . 16249 1 1250 . 1 1 118 118 ILE HA H 1 3.78 0.02 . 1 . . . . 118 ILE HA . 16249 1 1251 . 1 1 118 118 ILE HB H 1 1.55 0.02 . 1 . . . . 118 ILE HB . 16249 1 1252 . 1 1 118 118 ILE HD11 H 1 0.57 0.02 . 1 . . . . 118 ILE MD . 16249 1 1253 . 1 1 118 118 ILE HD12 H 1 0.57 0.02 . 1 . . . . 118 ILE MD . 16249 1 1254 . 1 1 118 118 ILE HD13 H 1 0.57 0.02 . 1 . . . . 118 ILE MD . 16249 1 1255 . 1 1 118 118 ILE HG12 H 1 1.21 0.02 . 1 . . . . 118 ILE HG12 . 16249 1 1256 . 1 1 118 118 ILE HG13 H 1 1.36 0.02 . 1 . . . . 118 ILE HG13 . 16249 1 1257 . 1 1 118 118 ILE HG21 H 1 0.04 0.02 . 1 . . . . 118 ILE MG . 16249 1 1258 . 1 1 118 118 ILE HG22 H 1 0.04 0.02 . 1 . . . . 118 ILE MG . 16249 1 1259 . 1 1 118 118 ILE HG23 H 1 0.04 0.02 . 1 . . . . 118 ILE MG . 16249 1 1260 . 1 1 118 118 ILE C C 13 175.72 0.05 . 1 . . . . 118 ILE C . 16249 1 1261 . 1 1 118 118 ILE CA C 13 59.54 0.05 . 1 . . . . 118 ILE CA . 16249 1 1262 . 1 1 118 118 ILE CB C 13 37.29 0.05 . 1 . . . . 118 ILE CB . 16249 1 1263 . 1 1 118 118 ILE CD1 C 13 11.31 0.05 . 1 . . . . 118 ILE CD1 . 16249 1 1264 . 1 1 118 118 ILE CG1 C 13 27.25 0.05 . 1 . . . . 118 ILE CG1 . 16249 1 1265 . 1 1 118 118 ILE CG2 C 13 16.39 0.05 . 1 . . . . 118 ILE CG2 . 16249 1 1266 . 1 1 118 118 ILE N N 15 126.47 0.05 . 1 . . . . 118 ILE N . 16249 1 1267 . 1 1 119 119 ASN H H 1 8.09 0.02 . 1 . . . . 119 ASN H . 16249 1 1268 . 1 1 119 119 ASN HA H 1 4.88 0.02 . 1 . . . . 119 ASN HA . 16249 1 1269 . 1 1 119 119 ASN HB2 H 1 2.98 0.02 . 1 . . . . 119 ASN HB2 . 16249 1 1270 . 1 1 119 119 ASN HB3 H 1 2.69 0.02 . 1 . . . . 119 ASN HB3 . 16249 1 1271 . 1 1 119 119 ASN HD21 H 1 7.64 0.02 . 1 . . . . 119 ASN HD21 . 16249 1 1272 . 1 1 119 119 ASN HD22 H 1 6.87 0.02 . 1 . . . . 119 ASN HD22 . 16249 1 1273 . 1 1 119 119 ASN C C 13 176.52 0.05 . 1 . . . . 119 ASN C . 16249 1 1274 . 1 1 119 119 ASN CA C 13 51.05 0.05 . 1 . . . . 119 ASN CA . 16249 1 1275 . 1 1 119 119 ASN CB C 13 37.38 0.05 . 1 . . . . 119 ASN CB . 16249 1 1276 . 1 1 119 119 ASN N N 15 124.20 0.05 . 1 . . . . 119 ASN N . 16249 1 1277 . 1 1 119 119 ASN ND2 N 15 111.30 0.05 . 1 . . . . 119 ASN ND2 . 16249 1 1278 . 1 1 120 120 TYR H H 1 8.58 0.02 . 1 . . . . 120 TYR H . 16249 1 1279 . 1 1 120 120 TYR HA H 1 4.00 0.02 . 1 . . . . 120 TYR HA . 16249 1 1280 . 1 1 120 120 TYR HB2 H 1 3.12 0.02 . 1 . . . . 120 TYR HB2 . 16249 1 1281 . 1 1 120 120 TYR HB3 H 1 2.86 0.02 . 1 . . . . 120 TYR HB3 . 16249 1 1282 . 1 1 120 120 TYR HD1 H 1 7.15 0.02 . 1 . . . . 120 TYR HD1 . 16249 1 1283 . 1 1 120 120 TYR HD2 H 1 7.15 0.02 . 1 . . . . 120 TYR HD2 . 16249 1 1284 . 1 1 120 120 TYR HE1 H 1 6.78 0.02 . 1 . . . . 120 TYR HE1 . 16249 1 1285 . 1 1 120 120 TYR HE2 H 1 6.78 0.02 . 1 . . . . 120 TYR HE2 . 16249 1 1286 . 1 1 120 120 TYR HH H 1 10.92 0.02 . 1 . . . . 120 TYR HH . 16249 1 1287 . 1 1 120 120 TYR C C 13 178.49 0.05 . 1 . . . . 120 TYR C . 16249 1 1288 . 1 1 120 120 TYR CA C 13 62.41 0.05 . 1 . . . . 120 TYR CA . 16249 1 1289 . 1 1 120 120 TYR CB C 13 37.59 0.05 . 1 . . . . 120 TYR CB . 16249 1 1290 . 1 1 120 120 TYR CD1 C 13 133.60 0.05 . 1 . . . . 120 TYR CD1 . 16249 1 1291 . 1 1 120 120 TYR CD2 C 13 133.60 0.05 . 1 . . . . 120 TYR CD2 . 16249 1 1292 . 1 1 120 120 TYR CE1 C 13 119.10 0.05 . 1 . . . . 120 TYR CE1 . 16249 1 1293 . 1 1 120 120 TYR CE2 C 13 119.10 0.05 . 1 . . . . 120 TYR CE2 . 16249 1 1294 . 1 1 120 120 TYR N N 15 125.60 0.05 . 1 . . . . 120 TYR N . 16249 1 1295 . 1 1 121 121 GLY H H 1 8.57 0.02 . 1 . . . . 121 GLY H . 16249 1 1296 . 1 1 121 121 GLY HA2 H 1 4.03 0.02 . 1 . . . . 121 GLY HA2 . 16249 1 1297 . 1 1 121 121 GLY HA3 H 1 3.93 0.02 . 1 . . . . 121 GLY HA3 . 16249 1 1298 . 1 1 121 121 GLY C C 13 175.22 0.05 . 1 . . . . 121 GLY C . 16249 1 1299 . 1 1 121 121 GLY CA C 13 46.31 0.05 . 1 . . . . 121 GLY CA . 16249 1 1300 . 1 1 121 121 GLY N N 15 108.43 0.05 . 1 . . . . 121 GLY N . 16249 1 1301 . 1 1 122 122 ALA H H 1 7.32 0.02 . 1 . . . . 122 ALA H . 16249 1 1302 . 1 1 122 122 ALA HA H 1 4.46 0.02 . 1 . . . . 122 ALA HA . 16249 1 1303 . 1 1 122 122 ALA HB1 H 1 1.45 0.02 . 1 . . . . 122 ALA MB . 16249 1 1304 . 1 1 122 122 ALA HB2 H 1 1.45 0.02 . 1 . . . . 122 ALA MB . 16249 1 1305 . 1 1 122 122 ALA HB3 H 1 1.45 0.02 . 1 . . . . 122 ALA MB . 16249 1 1306 . 1 1 122 122 ALA C C 13 178.10 0.05 . 1 . . . . 122 ALA C . 16249 1 1307 . 1 1 122 122 ALA CA C 13 52.66 0.05 . 1 . . . . 122 ALA CA . 16249 1 1308 . 1 1 122 122 ALA CB C 13 19.17 0.05 . 1 . . . . 122 ALA CB . 16249 1 1309 . 1 1 122 122 ALA N N 15 121.82 0.05 . 1 . . . . 122 ALA N . 16249 1 1310 . 1 1 123 123 SER H H 1 7.73 0.02 . 1 . . . . 123 SER H . 16249 1 1311 . 1 1 123 123 SER HA H 1 4.38 0.02 . 1 . . . . 123 SER HA . 16249 1 1312 . 1 1 123 123 SER HB2 H 1 3.87 0.02 . 1 . . . . 123 SER HB2 . 16249 1 1313 . 1 1 123 123 SER HB3 H 1 3.99 0.02 . 1 . . . . 123 SER HB3 . 16249 1 1314 . 1 1 123 123 SER HG H 1 5.43 0.02 . 1 . . . . 123 SER HG . 16249 1 1315 . 1 1 123 123 SER C C 13 176.87 0.05 . 1 . . . . 123 SER C . 16249 1 1316 . 1 1 123 123 SER CA C 13 62.44 0.05 . 1 . . . . 123 SER CA . 16249 1 1317 . 1 1 123 123 SER CB C 13 63.29 0.05 . 1 . . . . 123 SER CB . 16249 1 1318 . 1 1 123 123 SER N N 15 114.41 0.05 . 1 . . . . 123 SER N . 16249 1 1319 . 1 1 124 124 ALA H H 1 8.31 0.02 . 1 . . . . 124 ALA H . 16249 1 1320 . 1 1 124 124 ALA HA H 1 4.28 0.02 . 1 . . . . 124 ALA HA . 16249 1 1321 . 1 1 124 124 ALA HB1 H 1 1.44 0.02 . 1 . . . . 124 ALA MB . 16249 1 1322 . 1 1 124 124 ALA HB2 H 1 1.44 0.02 . 1 . . . . 124 ALA MB . 16249 1 1323 . 1 1 124 124 ALA HB3 H 1 1.44 0.02 . 1 . . . . 124 ALA MB . 16249 1 1324 . 1 1 124 124 ALA C C 13 179.70 0.05 . 1 . . . . 124 ALA C . 16249 1 1325 . 1 1 124 124 ALA CA C 13 55.33 0.05 . 1 . . . . 124 ALA CA . 16249 1 1326 . 1 1 124 124 ALA CB C 13 17.89 0.05 . 1 . . . . 124 ALA CB . 16249 1 1327 . 1 1 124 124 ALA N N 15 125.47 0.05 . 1 . . . . 124 ALA N . 16249 1 1328 . 1 1 125 125 GLN H H 1 7.68 0.02 . 1 . . . . 125 GLN H . 16249 1 1329 . 1 1 125 125 GLN HA H 1 4.01 0.02 . 1 . . . . 125 GLN HA . 16249 1 1330 . 1 1 125 125 GLN HB2 H 1 1.99 0.02 . 1 . . . . 125 GLN HB2 . 16249 1 1331 . 1 1 125 125 GLN HB3 H 1 1.89 0.02 . 1 . . . . 125 GLN HB3 . 16249 1 1332 . 1 1 125 125 GLN HE21 H 1 7.12 0.02 . 1 . . . . 125 GLN HE21 . 16249 1 1333 . 1 1 125 125 GLN HE22 H 1 6.58 0.02 . 1 . . . . 125 GLN HE22 . 16249 1 1334 . 1 1 125 125 GLN HG2 H 1 2.07 0.02 . 1 . . . . 125 GLN HG2 . 16249 1 1335 . 1 1 125 125 GLN HG3 H 1 2.07 0.02 . 1 . . . . 125 GLN HG3 . 16249 1 1336 . 1 1 125 125 GLN C C 13 179.44 0.05 . 1 . . . . 125 GLN C . 16249 1 1337 . 1 1 125 125 GLN CA C 13 58.70 0.05 . 1 . . . . 125 GLN CA . 16249 1 1338 . 1 1 125 125 GLN CB C 13 27.95 0.05 . 1 . . . . 125 GLN CB . 16249 1 1339 . 1 1 125 125 GLN CD C 13 180.00 0.05 . 1 . . . . 125 GLN CD . 16249 1 1340 . 1 1 125 125 GLN CG C 13 33.63 0.05 . 1 . . . . 125 GLN CG . 16249 1 1341 . 1 1 125 125 GLN N N 15 118.63 0.05 . 1 . . . . 125 GLN N . 16249 1 1342 . 1 1 125 125 GLN NE2 N 15 110.97 0.05 . 1 . . . . 125 GLN NE2 . 16249 1 1343 . 1 1 126 126 TYR H H 1 8.01 0.02 . 1 . . . . 126 TYR H . 16249 1 1344 . 1 1 126 126 TYR HA H 1 4.38 0.02 . 1 . . . . 126 TYR HA . 16249 1 1345 . 1 1 126 126 TYR HB2 H 1 2.92 0.02 . 2 . . . . 126 TYR HB2 . 16249 1 1346 . 1 1 126 126 TYR HB3 H 1 2.88 0.02 . 2 . . . . 126 TYR HB3 . 16249 1 1347 . 1 1 126 126 TYR HD1 H 1 7.04 0.02 . 1 . . . . 126 TYR HD1 . 16249 1 1348 . 1 1 126 126 TYR HD2 H 1 7.04 0.02 . 1 . . . . 126 TYR HD2 . 16249 1 1349 . 1 1 126 126 TYR HE1 H 1 6.80 0.02 . 1 . . . . 126 TYR HE1 . 16249 1 1350 . 1 1 126 126 TYR HE2 H 1 6.80 0.02 . 1 . . . . 126 TYR HE2 . 16249 1 1351 . 1 1 126 126 TYR HH H 1 10.62 0.02 . 1 . . . . 126 TYR HH . 16249 1 1352 . 1 1 126 126 TYR C C 13 177.49 0.05 . 1 . . . . 126 TYR C . 16249 1 1353 . 1 1 126 126 TYR CA C 13 62.35 0.05 . 1 . . . . 126 TYR CA . 16249 1 1354 . 1 1 126 126 TYR CB C 13 37.71 0.05 . 1 . . . . 126 TYR CB . 16249 1 1355 . 1 1 126 126 TYR CD1 C 13 133.70 0.05 . 1 . . . . 126 TYR CD1 . 16249 1 1356 . 1 1 126 126 TYR CD2 C 13 133.70 0.05 . 1 . . . . 126 TYR CD2 . 16249 1 1357 . 1 1 126 126 TYR CE1 C 13 118.70 0.05 . 1 . . . . 126 TYR CE1 . 16249 1 1358 . 1 1 126 126 TYR CE2 C 13 118.70 0.05 . 1 . . . . 126 TYR CE2 . 16249 1 1359 . 1 1 126 126 TYR N N 15 118.96 0.05 . 1 . . . . 126 TYR N . 16249 1 1360 . 1 1 127 127 THR H H 1 8.19 0.02 . 1 . . . . 127 THR H . 16249 1 1361 . 1 1 127 127 THR HA H 1 4.19 0.02 . 1 . . . . 127 THR HA . 16249 1 1362 . 1 1 127 127 THR HB H 1 4.23 0.02 . 1 . . . . 127 THR HB . 16249 1 1363 . 1 1 127 127 THR HG1 H 1 4.69 0.02 . 1 . . . . 127 THR HG1 . 16249 1 1364 . 1 1 127 127 THR HG21 H 1 1.22 0.02 . 1 . . . . 127 THR MG . 16249 1 1365 . 1 1 127 127 THR HG22 H 1 1.22 0.02 . 1 . . . . 127 THR MG . 16249 1 1366 . 1 1 127 127 THR HG23 H 1 1.22 0.02 . 1 . . . . 127 THR MG . 16249 1 1367 . 1 1 127 127 THR C C 13 176.55 0.05 . 1 . . . . 127 THR C . 16249 1 1368 . 1 1 127 127 THR CA C 13 66.74 0.05 . 1 . . . . 127 THR CA . 16249 1 1369 . 1 1 127 127 THR CB C 13 68.60 0.05 . 1 . . . . 127 THR CB . 16249 1 1370 . 1 1 127 127 THR CG2 C 13 22.35 0.05 . 1 . . . . 127 THR CG2 . 16249 1 1371 . 1 1 127 127 THR N N 15 116.82 0.05 . 1 . . . . 127 THR N . 16249 1 1372 . 1 1 128 128 GLN H H 1 7.59 0.02 . 1 . . . . 128 GLN H . 16249 1 1373 . 1 1 128 128 GLN HA H 1 3.96 0.02 . 1 . . . . 128 GLN HA . 16249 1 1374 . 1 1 128 128 GLN HB2 H 1 2.03 0.02 . 2 . . . . 128 GLN HB2 . 16249 1 1375 . 1 1 128 128 GLN HB3 H 1 2.01 0.02 . 2 . . . . 128 GLN HB3 . 16249 1 1376 . 1 1 128 128 GLN HE21 H 1 7.37 0.02 . 1 . . . . 128 GLN HE21 . 16249 1 1377 . 1 1 128 128 GLN HE22 H 1 6.66 0.02 . 1 . . . . 128 GLN HE22 . 16249 1 1378 . 1 1 128 128 GLN HG2 H 1 2.43 0.02 . 2 . . . . 128 GLN HG2 . 16249 1 1379 . 1 1 128 128 GLN HG3 H 1 2.28 0.02 . 2 . . . . 128 GLN HG3 . 16249 1 1380 . 1 1 128 128 GLN C C 13 178.62 0.05 . 1 . . . . 128 GLN C . 16249 1 1381 . 1 1 128 128 GLN CA C 13 58.83 0.05 . 1 . . . . 128 GLN CA . 16249 1 1382 . 1 1 128 128 GLN CB C 13 28.13 0.05 . 1 . . . . 128 GLN CB . 16249 1 1383 . 1 1 128 128 GLN CD C 13 180.30 0.05 . . . . . . 128 GLN CD . 16249 1 1384 . 1 1 128 128 GLN CG C 13 33.97 0.05 . 1 . . . . 128 GLN CG . 16249 1 1385 . 1 1 128 128 GLN N N 15 119.44 0.05 . 1 . . . . 128 GLN N . 16249 1 1386 . 1 1 128 128 GLN NE2 N 15 110.80 0.05 . 1 . . . . 128 GLN NE2 . 16249 1 1387 . 1 1 129 129 MET H H 1 7.92 0.02 . 1 . . . . 129 MET H . 16249 1 1388 . 1 1 129 129 MET HA H 1 4.01 0.02 . 1 . . . . 129 MET HA . 16249 1 1389 . 1 1 129 129 MET HB2 H 1 2.27 0.02 . 1 . . . . 129 MET HB2 . 16249 1 1390 . 1 1 129 129 MET HB3 H 1 2.27 0.02 . 1 . . . . 129 MET HB3 . 16249 1 1391 . 1 1 129 129 MET HE1 H 1 2.03 0.02 . 1 . . . . 129 MET ME . 16249 1 1392 . 1 1 129 129 MET HE2 H 1 2.03 0.02 . 1 . . . . 129 MET ME . 16249 1 1393 . 1 1 129 129 MET HE3 H 1 2.03 0.02 . 1 . . . . 129 MET ME . 16249 1 1394 . 1 1 129 129 MET HG2 H 1 2.76 0.02 . 2 . . . . 129 MET HG2 . 16249 1 1395 . 1 1 129 129 MET HG3 H 1 2.32 0.02 . 2 . . . . 129 MET HG3 . 16249 1 1396 . 1 1 129 129 MET C C 13 179.41 0.05 . 1 . . . . 129 MET C . 16249 1 1397 . 1 1 129 129 MET CA C 13 59.44 0.05 . 1 . . . . 129 MET CA . 16249 1 1398 . 1 1 129 129 MET CB C 13 32.62 0.05 . 1 . . . . 129 MET CB . 16249 1 1399 . 1 1 129 129 MET CE C 13 17.61 0.05 . 1 . . . . 129 MET CE . 16249 1 1400 . 1 1 129 129 MET CG C 13 31.98 0.05 . 1 . . . . 129 MET CG . 16249 1 1401 . 1 1 129 129 MET N N 15 120.41 0.05 . 1 . . . . 129 MET N . 16249 1 1402 . 1 1 130 130 VAL H H 1 8.66 0.02 . 1 . . . . 130 VAL H . 16249 1 1403 . 1 1 130 130 VAL HA H 1 3.38 0.02 . 1 . . . . 130 VAL HA . 16249 1 1404 . 1 1 130 130 VAL HB H 1 2.37 0.02 . 1 . . . . 130 VAL HB . 16249 1 1405 . 1 1 130 130 VAL HG11 H 1 0.75 0.02 . 1 . . . . 130 VAL MG1 . 16249 1 1406 . 1 1 130 130 VAL HG12 H 1 0.75 0.02 . 1 . . . . 130 VAL MG1 . 16249 1 1407 . 1 1 130 130 VAL HG13 H 1 0.75 0.02 . 1 . . . . 130 VAL MG1 . 16249 1 1408 . 1 1 130 130 VAL HG21 H 1 0.95 0.02 . 1 . . . . 130 VAL MG2 . 16249 1 1409 . 1 1 130 130 VAL HG22 H 1 0.95 0.02 . 1 . . . . 130 VAL MG2 . 16249 1 1410 . 1 1 130 130 VAL HG23 H 1 0.95 0.02 . 1 . . . . 130 VAL MG2 . 16249 1 1411 . 1 1 130 130 VAL C C 13 178.67 0.05 . 1 . . . . 130 VAL C . 16249 1 1412 . 1 1 130 130 VAL CA C 13 67.54 0.05 . 1 . . . . 130 VAL CA . 16249 1 1413 . 1 1 130 130 VAL CB C 13 30.81 0.05 . 1 . . . . 130 VAL CB . 16249 1 1414 . 1 1 130 130 VAL CG1 C 13 21.55 0.05 . 1 . . . . 130 VAL CG1 . 16249 1 1415 . 1 1 130 130 VAL CG2 C 13 24.12 0.05 . 1 . . . . 130 VAL CG2 . 16249 1 1416 . 1 1 130 130 VAL N N 15 123.31 0.05 . 1 . . . . 130 VAL N . 16249 1 1417 . 1 1 131 131 GLY H H 1 8.33 0.02 . 1 . . . . 131 GLY H . 16249 1 1418 . 1 1 131 131 GLY HA2 H 1 3.49 0.02 . 1 . . . . 131 GLY HA2 . 16249 1 1419 . 1 1 131 131 GLY HA3 H 1 3.96 0.02 . 1 . . . . 131 GLY HA3 . 16249 1 1420 . 1 1 131 131 GLY C C 13 175.44 0.05 . 1 . . . . 131 GLY C . 16249 1 1421 . 1 1 131 131 GLY CA C 13 48.39 0.05 . 1 . . . . 131 GLY CA . 16249 1 1422 . 1 1 131 131 GLY N N 15 106.93 0.05 . 1 . . . . 131 GLY N . 16249 1 1423 . 1 1 132 132 GLN H H 1 8.19 0.02 . 1 . . . . 132 GLN H . 16249 1 1424 . 1 1 132 132 GLN HA H 1 3.98 0.02 . 1 . . . . 132 GLN HA . 16249 1 1425 . 1 1 132 132 GLN HB2 H 1 2.10 0.02 . 1 . . . . 132 GLN HB2 . 16249 1 1426 . 1 1 132 132 GLN HB3 H 1 2.00 0.02 . 1 . . . . 132 GLN HB3 . 16249 1 1427 . 1 1 132 132 GLN HE21 H 1 7.16 0.02 . 1 . . . . 132 GLN HE21 . 16249 1 1428 . 1 1 132 132 GLN HE22 H 1 6.83 0.02 . 1 . . . . 132 GLN HE22 . 16249 1 1429 . 1 1 132 132 GLN HG2 H 1 2.35 0.02 . 1 . . . . 132 GLN HG2 . 16249 1 1430 . 1 1 132 132 GLN HG3 H 1 2.42 0.02 . 1 . . . . 132 GLN HG3 . 16249 1 1431 . 1 1 132 132 GLN C C 13 179.07 0.05 . 1 . . . . 132 GLN C . 16249 1 1432 . 1 1 132 132 GLN CA C 13 58.69 0.05 . 1 . . . . 132 GLN CA . 16249 1 1433 . 1 1 132 132 GLN CB C 13 28.30 0.05 . 1 . . . . 132 GLN CB . 16249 1 1434 . 1 1 132 132 GLN CD C 13 180.10 0.05 . 1 . . . . 132 GLN CD . 16249 1 1435 . 1 1 132 132 GLN CG C 13 34.30 0.05 . 1 . . . . 132 GLN CG . 16249 1 1436 . 1 1 132 132 GLN N N 15 119.59 0.05 . 1 . . . . 132 GLN N . 16249 1 1437 . 1 1 132 132 GLN NE2 N 15 111.20 0.05 . 1 . . . . 132 GLN NE2 . 16249 1 1438 . 1 1 133 133 SER H H 1 8.66 0.02 . 1 . . . . 133 SER H . 16249 1 1439 . 1 1 133 133 SER HA H 1 4.16 0.02 . 1 . . . . 133 SER HA . 16249 1 1440 . 1 1 133 133 SER HB2 H 1 3.63 0.02 . 1 . . . . 133 SER HB2 . 16249 1 1441 . 1 1 133 133 SER HB3 H 1 4.01 0.02 . 1 . . . . 133 SER HB3 . 16249 1 1442 . 1 1 133 133 SER C C 13 176.60 0.05 . 1 . . . . 133 SER C . 16249 1 1443 . 1 1 133 133 SER CA C 13 62.87 0.05 . 1 . . . . 133 SER CA . 16249 1 1444 . 1 1 133 133 SER CB C 13 63.00 0.05 . 1 . . . . 133 SER CB . 16249 1 1445 . 1 1 133 133 SER N N 15 116.80 0.05 . 1 . . . . 133 SER N . 16249 1 1446 . 1 1 134 134 VAL H H 1 8.08 0.02 . 1 . . . . 134 VAL H . 16249 1 1447 . 1 1 134 134 VAL HA H 1 3.61 0.02 . 1 . . . . 134 VAL HA . 16249 1 1448 . 1 1 134 134 VAL HB H 1 2.03 0.02 . 1 . . . . 134 VAL HB . 16249 1 1449 . 1 1 134 134 VAL HG11 H 1 0.92 0.02 . 1 . . . . 134 VAL MG1 . 16249 1 1450 . 1 1 134 134 VAL HG12 H 1 0.92 0.02 . 1 . . . . 134 VAL MG1 . 16249 1 1451 . 1 1 134 134 VAL HG13 H 1 0.92 0.02 . 1 . . . . 134 VAL MG1 . 16249 1 1452 . 1 1 134 134 VAL HG21 H 1 0.99 0.02 . 1 . . . . 134 VAL MG2 . 16249 1 1453 . 1 1 134 134 VAL HG22 H 1 0.99 0.02 . 1 . . . . 134 VAL MG2 . 16249 1 1454 . 1 1 134 134 VAL HG23 H 1 0.99 0.02 . 1 . . . . 134 VAL MG2 . 16249 1 1455 . 1 1 134 134 VAL C C 13 176.10 0.05 . 1 . . . . 134 VAL C . 16249 1 1456 . 1 1 134 134 VAL CA C 13 66.19 0.05 . 1 . . . . 134 VAL CA . 16249 1 1457 . 1 1 134 134 VAL CB C 13 31.41 0.05 . 1 . . . . 134 VAL CB . 16249 1 1458 . 1 1 134 134 VAL CG1 C 13 21.42 0.05 . 1 . . . . 134 VAL CG1 . 16249 1 1459 . 1 1 134 134 VAL CG2 C 13 23.44 0.05 . 1 . . . . 134 VAL CG2 . 16249 1 1460 . 1 1 134 134 VAL N N 15 121.63 0.05 . 1 . . . . 134 VAL N . 16249 1 1461 . 1 1 135 135 ALA H H 1 7.72 0.02 . 1 . . . . 135 ALA H . 16249 1 1462 . 1 1 135 135 ALA HA H 1 3.88 0.02 . 1 . . . . 135 ALA HA . 16249 1 1463 . 1 1 135 135 ALA HB1 H 1 1.36 0.02 . 1 . . . . 135 ALA MB . 16249 1 1464 . 1 1 135 135 ALA HB2 H 1 1.36 0.02 . 1 . . . . 135 ALA MB . 16249 1 1465 . 1 1 135 135 ALA HB3 H 1 1.36 0.02 . 1 . . . . 135 ALA MB . 16249 1 1466 . 1 1 135 135 ALA C C 13 180.25 0.05 . 1 . . . . 135 ALA C . 16249 1 1467 . 1 1 135 135 ALA CA C 13 55.15 0.05 . 1 . . . . 135 ALA CA . 16249 1 1468 . 1 1 135 135 ALA CB C 13 18.05 0.05 . 1 . . . . 135 ALA CB . 16249 1 1469 . 1 1 135 135 ALA N N 15 122.03 0.05 . 1 . . . . 135 ALA N . 16249 1 1470 . 1 1 136 136 GLN H H 1 8.14 0.02 . 1 . . . . 136 GLN H . 16249 1 1471 . 1 1 136 136 GLN HA H 1 4.00 0.02 . 1 . . . . 136 GLN HA . 16249 1 1472 . 1 1 136 136 GLN HB2 H 1 2.06 0.02 . 2 . . . . 136 GLN HB2 . 16249 1 1473 . 1 1 136 136 GLN HB3 H 1 2.02 0.02 . 2 . . . . 136 GLN HB3 . 16249 1 1474 . 1 1 136 136 GLN HE21 H 1 7.42 0.02 . 1 . . . . 136 GLN HE21 . 16249 1 1475 . 1 1 136 136 GLN HE22 H 1 6.77 0.02 . 1 . . . . 136 GLN HE22 . 16249 1 1476 . 1 1 136 136 GLN HG2 H 1 2.43 0.02 . 2 . . . . 136 GLN HG2 . 16249 1 1477 . 1 1 136 136 GLN HG3 H 1 2.35 0.02 . 2 . . . . 136 GLN HG3 . 16249 1 1478 . 1 1 136 136 GLN C C 13 178.17 0.05 . 1 . . . . 136 GLN C . 16249 1 1479 . 1 1 136 136 GLN CA C 13 58.21 0.05 . 1 . . . . 136 GLN CA . 16249 1 1480 . 1 1 136 136 GLN CB C 13 28.62 0.05 . 1 . . . . 136 GLN CB . 16249 1 1481 . 1 1 136 136 GLN CD C 13 180.20 0.05 . 1 . . . . 136 GLN CD . 16249 1 1482 . 1 1 136 136 GLN CG C 13 34.10 0.05 . 1 . . . . 136 GLN CG . 16249 1 1483 . 1 1 136 136 GLN N N 15 115.56 0.05 . 1 . . . . 136 GLN N . 16249 1 1484 . 1 1 136 136 GLN NE2 N 15 111.60 0.05 . 1 . . . . 136 GLN NE2 . 16249 1 1485 . 1 1 137 137 ALA H H 1 7.77 0.02 . 1 . . . . 137 ALA H . 16249 1 1486 . 1 1 137 137 ALA HA H 1 4.08 0.02 . 1 . . . . 137 ALA HA . 16249 1 1487 . 1 1 137 137 ALA HB1 H 1 1.48 0.02 . 1 . . . . 137 ALA MB . 16249 1 1488 . 1 1 137 137 ALA HB2 H 1 1.48 0.02 . 1 . . . . 137 ALA MB . 16249 1 1489 . 1 1 137 137 ALA HB3 H 1 1.48 0.02 . 1 . . . . 137 ALA MB . 16249 1 1490 . 1 1 137 137 ALA C C 13 178.62 0.05 . 1 . . . . 137 ALA C . 16249 1 1491 . 1 1 137 137 ALA CA C 13 54.47 0.05 . 1 . . . . 137 ALA CA . 16249 1 1492 . 1 1 137 137 ALA CB C 13 19.87 0.05 . 1 . . . . 137 ALA CB . 16249 1 1493 . 1 1 137 137 ALA N N 15 119.97 0.05 . 1 . . . . 137 ALA N . 16249 1 1494 . 1 1 138 138 LEU H H 1 7.39 0.02 . 1 . . . . 138 LEU H . 16249 1 1495 . 1 1 138 138 LEU HA H 1 4.48 0.02 . 1 . . . . 138 LEU HA . 16249 1 1496 . 1 1 138 138 LEU HB2 H 1 1.60 0.02 . 1 . . . . 138 LEU HB2 . 16249 1 1497 . 1 1 138 138 LEU HB3 H 1 1.51 0.02 . 1 . . . . 138 LEU HB3 . 16249 1 1498 . 1 1 138 138 LEU HD11 H 1 0.76 0.02 . 1 . . . . 138 LEU MD1 . 16249 1 1499 . 1 1 138 138 LEU HD12 H 1 0.76 0.02 . 1 . . . . 138 LEU MD1 . 16249 1 1500 . 1 1 138 138 LEU HD13 H 1 0.76 0.02 . 1 . . . . 138 LEU MD1 . 16249 1 1501 . 1 1 138 138 LEU HD21 H 1 0.74 0.02 . 1 . . . . 138 LEU MD2 . 16249 1 1502 . 1 1 138 138 LEU HD22 H 1 0.74 0.02 . 1 . . . . 138 LEU MD2 . 16249 1 1503 . 1 1 138 138 LEU HD23 H 1 0.74 0.02 . 1 . . . . 138 LEU MD2 . 16249 1 1504 . 1 1 138 138 LEU HG H 1 1.65 0.02 . 1 . . . . 138 LEU HG . 16249 1 1505 . 1 1 138 138 LEU C C 13 176.43 0.05 . 1 . . . . 138 LEU C . 16249 1 1506 . 1 1 138 138 LEU CA C 13 53.78 0.05 . 1 . . . . 138 LEU CA . 16249 1 1507 . 1 1 138 138 LEU CB C 13 42.29 0.05 . 1 . . . . 138 LEU CB . 16249 1 1508 . 1 1 138 138 LEU CD1 C 13 22.88 0.05 . 1 . . . . 138 LEU CD1 . 16249 1 1509 . 1 1 138 138 LEU CD2 C 13 26.11 0.05 . 1 . . . . 138 LEU CD2 . 16249 1 1510 . 1 1 138 138 LEU CG C 13 27.13 0.05 . 1 . . . . 138 LEU CG . 16249 1 1511 . 1 1 138 138 LEU N N 15 114.25 0.05 . 1 . . . . 138 LEU N . 16249 1 1512 . 1 1 139 139 ALA H H 1 7.57 0.02 . 1 . . . . 139 ALA H . 16249 1 1513 . 1 1 139 139 ALA HA H 1 4.30 0.02 . 1 . . . . 139 ALA HA . 16249 1 1514 . 1 1 139 139 ALA HB1 H 1 1.39 0.02 . 1 . . . . 139 ALA MB . 16249 1 1515 . 1 1 139 139 ALA HB2 H 1 1.39 0.02 . 1 . . . . 139 ALA MB . 16249 1 1516 . 1 1 139 139 ALA HB3 H 1 1.39 0.02 . 1 . . . . 139 ALA MB . 16249 1 1517 . 1 1 139 139 ALA C C 13 177.11 0.05 . 1 . . . . 139 ALA C . 16249 1 1518 . 1 1 139 139 ALA CA C 13 52.90 0.05 . 1 . . . . 139 ALA CA . 16249 1 1519 . 1 1 139 139 ALA CB C 13 19.53 0.05 . 1 . . . . 139 ALA CB . 16249 1 1520 . 1 1 139 139 ALA N N 15 122.49 0.05 . 1 . . . . 139 ALA N . 16249 1 1521 . 1 1 140 140 GLY H H 1 7.78 0.02 . 1 . . . . 140 GLY H . 16249 1 1522 . 1 1 140 140 GLY HA2 H 1 3.70 0.02 . 1 . . . . 140 GLY HA2 . 16249 1 1523 . 1 1 140 140 GLY HA3 H 1 3.70 0.02 . 1 . . . . 140 GLY HA3 . 16249 1 1524 . 1 1 140 140 GLY CA C 13 46.24 0.05 . 1 . . . . 140 GLY CA . 16249 1 1525 . 1 1 140 140 GLY N N 15 113.49 0.05 . 1 . . . . 140 GLY N . 16249 1 stop_ save_