data_19267 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19267 _Entry.Title ; Backbone Assignment of Outer Envelope Protein 16kDa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-26 _Entry.Accession_date 2013-05-26 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Zook . D. . 19267 2 Trivikram Molugu . R. . 19267 3 Neil Jacobsen . E. . 19267 4 Guangxin Lin . . . 19267 5 Michael Brown . F. . 19267 6 Petra Fromme . . . 19267 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19267 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 443 19267 '15N chemical shifts' 150 19267 '1H chemical shifts' 271 19267 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-13 2013-05-26 original author . 19267 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19267 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24205117 _Citation.Full_citation . _Citation.Title 'High-resolution NMR reveals secondary structure and folding of amino acid transporter from outer chloroplast membrane.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _Citation.Journal_issue 10 _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 e78116 _Citation.Page_last e78116 _Citation.Year 2013 _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 James Zook . D. . 19267 1 2 Trivikram Molugu . R. . 19267 1 3 Neil Jacobsen . E. . 19267 1 4 Guangxin Lin . . . 19267 1 5 Jurgen Soll . . . 19267 1 6 Brian Cherry . R. . 19267 1 7 Michael Brown . F. . 19267 1 8 Petra Fromme . . . 19267 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chemical Shift Assignment' 19267 1 'Membrane Proteins' 19267 1 NMR 19267 1 'Secondary Structure Assignment' 19267 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19267 _Assembly.ID 1 _Assembly.Name OEP16 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 OEP16 1 $OEP16 A . yes native no no . . . 19267 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OEP16 _Entity.Sf_category entity _Entity.Sf_framecode OEP16 _Entity.Entry_ID 19267 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OEP16 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPRSSFSGSLSSPKLDVVID MGNPFLNLTVDGFLKIGAVA ATRSVAEDTFHIIRKGSISS NDFEKSLKKMCKEGAYWGAI AGVYVGMEYGVERIRGTRDW KNAMFGGAVTGALVSAASNN KKDKIAVDAITGAAIATAAE FINYLTLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is a membrane protein with a non-native, C-terminal 6x Histidine tag' _Entity.Ambiguous_conformational_states yes _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 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 EMBL CAA97910 . "core protein [Pisum sativum]" . . . . . 94.81 146 100.00 100.00 4.35e-100 . . . . 19267 1 2 no SP Q41050 . "RecName: Full=Outer envelope pore protein 16, chloroplastic; AltName: Full=Chloroplastic outer envelope pore protein of 16 kDa " . . . . . 94.81 146 100.00 100.00 4.35e-100 . . . . 19267 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Functions as an amino acid passive transporter across the outer chloroplast membrane' 19267 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 1 MET . 19267 1 2 2 PRO . 19267 1 3 3 ARG . 19267 1 4 4 SER . 19267 1 5 5 SER . 19267 1 6 6 PHE . 19267 1 7 7 SER . 19267 1 8 8 GLY . 19267 1 9 9 SER . 19267 1 10 10 LEU . 19267 1 11 11 SER . 19267 1 12 12 SER . 19267 1 13 13 PRO . 19267 1 14 14 LYS . 19267 1 15 15 LEU . 19267 1 16 16 ASP . 19267 1 17 17 VAL . 19267 1 18 18 VAL . 19267 1 19 19 ILE . 19267 1 20 20 ASP . 19267 1 21 21 MET . 19267 1 22 22 GLY . 19267 1 23 23 ASN . 19267 1 24 24 PRO . 19267 1 25 25 PHE . 19267 1 26 26 LEU . 19267 1 27 27 ASN . 19267 1 28 28 LEU . 19267 1 29 29 THR . 19267 1 30 30 VAL . 19267 1 31 31 ASP . 19267 1 32 32 GLY . 19267 1 33 33 PHE . 19267 1 34 34 LEU . 19267 1 35 35 LYS . 19267 1 36 36 ILE . 19267 1 37 37 GLY . 19267 1 38 38 ALA . 19267 1 39 39 VAL . 19267 1 40 40 ALA . 19267 1 41 41 ALA . 19267 1 42 42 THR . 19267 1 43 43 ARG . 19267 1 44 44 SER . 19267 1 45 45 VAL . 19267 1 46 46 ALA . 19267 1 47 47 GLU . 19267 1 48 48 ASP . 19267 1 49 49 THR . 19267 1 50 50 PHE . 19267 1 51 51 HIS . 19267 1 52 52 ILE . 19267 1 53 53 ILE . 19267 1 54 54 ARG . 19267 1 55 55 LYS . 19267 1 56 56 GLY . 19267 1 57 57 SER . 19267 1 58 58 ILE . 19267 1 59 59 SER . 19267 1 60 60 SER . 19267 1 61 61 ASN . 19267 1 62 62 ASP . 19267 1 63 63 PHE . 19267 1 64 64 GLU . 19267 1 65 65 LYS . 19267 1 66 66 SER . 19267 1 67 67 LEU . 19267 1 68 68 LYS . 19267 1 69 69 LYS . 19267 1 70 70 MET . 19267 1 71 71 CYS . 19267 1 72 72 LYS . 19267 1 73 73 GLU . 19267 1 74 74 GLY . 19267 1 75 75 ALA . 19267 1 76 76 TYR . 19267 1 77 77 TRP . 19267 1 78 78 GLY . 19267 1 79 79 ALA . 19267 1 80 80 ILE . 19267 1 81 81 ALA . 19267 1 82 82 GLY . 19267 1 83 83 VAL . 19267 1 84 84 TYR . 19267 1 85 85 VAL . 19267 1 86 86 GLY . 19267 1 87 87 MET . 19267 1 88 88 GLU . 19267 1 89 89 TYR . 19267 1 90 90 GLY . 19267 1 91 91 VAL . 19267 1 92 92 GLU . 19267 1 93 93 ARG . 19267 1 94 94 ILE . 19267 1 95 95 ARG . 19267 1 96 96 GLY . 19267 1 97 97 THR . 19267 1 98 98 ARG . 19267 1 99 99 ASP . 19267 1 100 100 TRP . 19267 1 101 101 LYS . 19267 1 102 102 ASN . 19267 1 103 103 ALA . 19267 1 104 104 MET . 19267 1 105 105 PHE . 19267 1 106 106 GLY . 19267 1 107 107 GLY . 19267 1 108 108 ALA . 19267 1 109 109 VAL . 19267 1 110 110 THR . 19267 1 111 111 GLY . 19267 1 112 112 ALA . 19267 1 113 113 LEU . 19267 1 114 114 VAL . 19267 1 115 115 SER . 19267 1 116 116 ALA . 19267 1 117 117 ALA . 19267 1 118 118 SER . 19267 1 119 119 ASN . 19267 1 120 120 ASN . 19267 1 121 121 LYS . 19267 1 122 122 LYS . 19267 1 123 123 ASP . 19267 1 124 124 LYS . 19267 1 125 125 ILE . 19267 1 126 126 ALA . 19267 1 127 127 VAL . 19267 1 128 128 ASP . 19267 1 129 129 ALA . 19267 1 130 130 ILE . 19267 1 131 131 THR . 19267 1 132 132 GLY . 19267 1 133 133 ALA . 19267 1 134 134 ALA . 19267 1 135 135 ILE . 19267 1 136 136 ALA . 19267 1 137 137 THR . 19267 1 138 138 ALA . 19267 1 139 139 ALA . 19267 1 140 140 GLU . 19267 1 141 141 PHE . 19267 1 142 142 ILE . 19267 1 143 143 ASN . 19267 1 144 144 TYR . 19267 1 145 145 LEU . 19267 1 146 146 THR . 19267 1 147 147 LEU . 19267 1 148 148 GLU . 19267 1 149 149 HIS . 19267 1 150 150 HIS . 19267 1 151 151 HIS . 19267 1 152 152 HIS . 19267 1 153 153 HIS . 19267 1 154 154 HIS . 19267 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 19267 1 . PRO 2 2 19267 1 . ARG 3 3 19267 1 . SER 4 4 19267 1 . SER 5 5 19267 1 . PHE 6 6 19267 1 . SER 7 7 19267 1 . GLY 8 8 19267 1 . SER 9 9 19267 1 . LEU 10 10 19267 1 . SER 11 11 19267 1 . SER 12 12 19267 1 . PRO 13 13 19267 1 . LYS 14 14 19267 1 . LEU 15 15 19267 1 . ASP 16 16 19267 1 . VAL 17 17 19267 1 . VAL 18 18 19267 1 . ILE 19 19 19267 1 . ASP 20 20 19267 1 . MET 21 21 19267 1 . GLY 22 22 19267 1 . ASN 23 23 19267 1 . PRO 24 24 19267 1 . PHE 25 25 19267 1 . LEU 26 26 19267 1 . ASN 27 27 19267 1 . LEU 28 28 19267 1 . THR 29 29 19267 1 . VAL 30 30 19267 1 . ASP 31 31 19267 1 . GLY 32 32 19267 1 . PHE 33 33 19267 1 . LEU 34 34 19267 1 . LYS 35 35 19267 1 . ILE 36 36 19267 1 . GLY 37 37 19267 1 . ALA 38 38 19267 1 . VAL 39 39 19267 1 . ALA 40 40 19267 1 . ALA 41 41 19267 1 . THR 42 42 19267 1 . ARG 43 43 19267 1 . SER 44 44 19267 1 . VAL 45 45 19267 1 . ALA 46 46 19267 1 . GLU 47 47 19267 1 . ASP 48 48 19267 1 . THR 49 49 19267 1 . PHE 50 50 19267 1 . HIS 51 51 19267 1 . ILE 52 52 19267 1 . ILE 53 53 19267 1 . ARG 54 54 19267 1 . LYS 55 55 19267 1 . GLY 56 56 19267 1 . SER 57 57 19267 1 . ILE 58 58 19267 1 . SER 59 59 19267 1 . SER 60 60 19267 1 . ASN 61 61 19267 1 . ASP 62 62 19267 1 . PHE 63 63 19267 1 . GLU 64 64 19267 1 . LYS 65 65 19267 1 . SER 66 66 19267 1 . LEU 67 67 19267 1 . LYS 68 68 19267 1 . LYS 69 69 19267 1 . MET 70 70 19267 1 . CYS 71 71 19267 1 . LYS 72 72 19267 1 . GLU 73 73 19267 1 . GLY 74 74 19267 1 . ALA 75 75 19267 1 . TYR 76 76 19267 1 . TRP 77 77 19267 1 . GLY 78 78 19267 1 . ALA 79 79 19267 1 . ILE 80 80 19267 1 . ALA 81 81 19267 1 . GLY 82 82 19267 1 . VAL 83 83 19267 1 . TYR 84 84 19267 1 . VAL 85 85 19267 1 . GLY 86 86 19267 1 . MET 87 87 19267 1 . GLU 88 88 19267 1 . TYR 89 89 19267 1 . GLY 90 90 19267 1 . VAL 91 91 19267 1 . GLU 92 92 19267 1 . ARG 93 93 19267 1 . ILE 94 94 19267 1 . ARG 95 95 19267 1 . GLY 96 96 19267 1 . THR 97 97 19267 1 . ARG 98 98 19267 1 . ASP 99 99 19267 1 . TRP 100 100 19267 1 . LYS 101 101 19267 1 . ASN 102 102 19267 1 . ALA 103 103 19267 1 . MET 104 104 19267 1 . PHE 105 105 19267 1 . GLY 106 106 19267 1 . GLY 107 107 19267 1 . ALA 108 108 19267 1 . VAL 109 109 19267 1 . THR 110 110 19267 1 . GLY 111 111 19267 1 . ALA 112 112 19267 1 . LEU 113 113 19267 1 . VAL 114 114 19267 1 . SER 115 115 19267 1 . ALA 116 116 19267 1 . ALA 117 117 19267 1 . SER 118 118 19267 1 . ASN 119 119 19267 1 . ASN 120 120 19267 1 . LYS 121 121 19267 1 . LYS 122 122 19267 1 . ASP 123 123 19267 1 . LYS 124 124 19267 1 . ILE 125 125 19267 1 . ALA 126 126 19267 1 . VAL 127 127 19267 1 . ASP 128 128 19267 1 . ALA 129 129 19267 1 . ILE 130 130 19267 1 . THR 131 131 19267 1 . GLY 132 132 19267 1 . ALA 133 133 19267 1 . ALA 134 134 19267 1 . ILE 135 135 19267 1 . ALA 136 136 19267 1 . THR 137 137 19267 1 . ALA 138 138 19267 1 . ALA 139 139 19267 1 . GLU 140 140 19267 1 . PHE 141 141 19267 1 . ILE 142 142 19267 1 . ASN 143 143 19267 1 . TYR 144 144 19267 1 . LEU 145 145 19267 1 . THR 146 146 19267 1 . LEU 147 147 19267 1 . GLU 148 148 19267 1 . HIS 149 149 19267 1 . HIS 150 150 19267 1 . HIS 151 151 19267 1 . HIS 152 152 19267 1 . HIS 153 153 19267 1 . HIS 154 154 19267 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 19267 _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 $OEP16 . 3888 organism . 'Pisum sativum' Eudicots . . Eukaryota Viridiplantae Pisum sativum . . . . . . . . . . . . . . . . . . . . . 19267 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 19267 _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 $OEP16 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pETbPrp . . . . . . 19267 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19267 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.4% SDS to maintain membrane protein solubility, 10% glycerol for protein stability' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19267 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19267 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19267 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 19267 1 5 glycerol 'natural abundance' . . . . . . 10 . . v/v . . . . 19267 1 6 SDS 'natural abundance' . . . . . . 0.4 . . w/v . . . . 19267 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 19267 1 8 OEP16 '[U-99% 15N]' . . 1 $OEP16 . . 1.5 . . mM . . . . 19267 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19267 1 10 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19267 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19267 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.4% SDS to maintain membrane protein solubility, 10% glycerol for protein stability' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19267 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19267 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19267 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 19267 2 5 glycerol 'natural abundance' . . . . . . 10 . . v/v . . . . 19267 2 6 SDS 'natural abundance' . . . . . . 0.4 . . w/v . . . . 19267 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 19267 2 8 OEP16 '[U-99% 13C; U-99% 15N; U-80% 2H]' . . 1 $OEP16 . . 1.0 . . mM . . . . 19267 2 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19267 2 10 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19267 2 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 19267 _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' 0.14 . M 19267 1 pH 6.5 . pH 19267 1 pressure 1 . atm 19267 1 temperature 310 . K 19267 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19267 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19267 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19267 1 'chemical shift calculation' 19267 1 'peak picking' 19267 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19267 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19267 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19267 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19267 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19267 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19267 3 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 19267 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19267 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 19267 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 19267 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 1 9 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19267 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 19267 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 water protons . . . . ppm 4.658 internal indirect 0.251 . . . . . . . . . 19267 1 H 1 water protons . . . . ppm 4.658 internal direct 1.0 . . . . . . . . . 19267 1 N 15 water protons . . . . ppm 4.658 internal indirect 0.101 . . . . . . . . . 19267 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 19267 _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' . . . 19267 1 2 '3D CBCA(CO)NH' . . . 19267 1 3 '3D HNCO' . . . 19267 1 4 '3D HNCA' . . . 19267 1 5 '3D HNCACB' . . . 19267 1 6 '3D HN(CO)CA' . . . 19267 1 7 '3D 1H-15N NOESY' . . . 19267 1 8 '3D 1H-15N TOCSY' . . . 19267 1 9 '3D HN(CA)CO' . . . 19267 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 PRO C C 13 176.034 0.000 . 1 . . . . 2 P C . 19267 1 2 . 1 1 2 2 PRO CA C 13 63.866 0.117 . 1 . . . . 2 P CA . 19267 1 3 . 1 1 2 2 PRO CB C 13 31.476 0.000 . 1 . . . . 2 P CB . 19267 1 4 . 1 1 3 3 ARG H H 1 8.073 0.002 . 1 . . . . 3 R H . 19267 1 5 . 1 1 3 3 ARG HA H 1 4.338 0.000 . 1 . . . . 3 R HA . 19267 1 6 . 1 1 3 3 ARG C C 13 176.197 0.122 . 1 . . . . 3 R C . 19267 1 7 . 1 1 3 3 ARG CA C 13 56.572 0.412 . 1 . . . . 3 R CA . 19267 1 8 . 1 1 3 3 ARG CB C 13 30.099 0.085 . 1 . . . . 3 R CB . 19267 1 9 . 1 1 3 3 ARG N N 15 117.015 0.068 . 1 . . . . 3 R N . 19267 1 10 . 1 1 4 4 SER H H 1 8.163 0.002 . 1 . . . . 4 S H . 19267 1 11 . 1 1 4 4 SER HA H 1 4.439 0.000 . 1 . . . . 4 S HA . 19267 1 12 . 1 1 4 4 SER C C 13 174.438 0.014 . 1 . . . . 4 S C . 19267 1 13 . 1 1 4 4 SER CA C 13 58.419 0.118 . 1 . . . . 4 S CA . 19267 1 14 . 1 1 4 4 SER CB C 13 63.881 0.003 . 1 . . . . 4 S CB . 19267 1 15 . 1 1 4 4 SER N N 15 114.964 0.052 . 1 . . . . 4 S N . 19267 1 16 . 1 1 5 5 SER H H 1 8.018 0.004 . 1 . . . . 5 S H . 19267 1 17 . 1 1 5 5 SER HA H 1 4.427 0.000 . 1 . . . . 5 S HA . 19267 1 18 . 1 1 5 5 SER C C 13 174.289 0.003 . 1 . . . . 5 S C . 19267 1 19 . 1 1 5 5 SER CA C 13 58.413 0.124 . 1 . . . . 5 S CA . 19267 1 20 . 1 1 5 5 SER CB C 13 63.737 0.024 . 1 . . . . 5 S CB . 19267 1 21 . 1 1 5 5 SER N N 15 115.846 0.058 . 1 . . . . 5 S N . 19267 1 22 . 1 1 6 6 PHE H H 1 8.090 0.003 . 1 . . . . 6 F H . 19267 1 23 . 1 1 6 6 PHE C C 13 176.197 0.003 . 1 . . . . 6 F C . 19267 1 24 . 1 1 6 6 PHE CA C 13 58.077 0.140 . 1 . . . . 6 F CA . 19267 1 25 . 1 1 6 6 PHE CB C 13 39.099 0.025 . 1 . . . . 6 F CB . 19267 1 26 . 1 1 6 6 PHE N N 15 121.190 0.061 . 1 . . . . 6 F N . 19267 1 27 . 1 1 7 7 SER H H 1 8.101 0.002 . 1 . . . . 7 S H . 19267 1 28 . 1 1 7 7 SER HA H 1 4.338 0.000 . 1 . . . . 7 S HA . 19267 1 29 . 1 1 7 7 SER C C 13 175.284 0.040 . 1 . . . . 7 S C . 19267 1 30 . 1 1 7 7 SER CA C 13 58.879 0.102 . 1 . . . . 7 S CA . 19267 1 31 . 1 1 7 7 SER CB C 13 63.687 0.020 . 1 . . . . 7 S CB . 19267 1 32 . 1 1 7 7 SER N N 15 116.458 0.061 . 1 . . . . 7 S N . 19267 1 33 . 1 1 8 8 GLY H H 1 7.745 0.003 . 1 . . . . 8 G H . 19267 1 34 . 1 1 8 8 GLY C C 13 174.245 0.002 . 1 . . . . 8 G C . 19267 1 35 . 1 1 8 8 GLY CA C 13 45.419 0.060 . 1 . . . . 8 G CA . 19267 1 36 . 1 1 8 8 GLY N N 15 110.345 0.076 . 1 . . . . 8 G N . 19267 1 37 . 1 1 9 9 SER H H 1 7.960 0.002 . 1 . . . . 9 S H . 19267 1 38 . 1 1 9 9 SER HA H 1 4.489 0.000 . 1 . . . . 9 S HA . 19267 1 39 . 1 1 9 9 SER C C 13 174.268 0.007 . 1 . . . . 9 S C . 19267 1 40 . 1 1 9 9 SER CA C 13 58.719 0.082 . 1 . . . . 9 S CA . 19267 1 41 . 1 1 9 9 SER CB C 13 64.091 0.017 . 1 . . . . 9 S CB . 19267 1 42 . 1 1 9 9 SER N N 15 114.970 0.060 . 1 . . . . 9 S N . 19267 1 43 . 1 1 10 10 LEU H H 1 8.022 0.003 . 1 . . . . 10 L H . 19267 1 44 . 1 1 10 10 LEU HA H 1 4.380 0.000 . 1 . . . . 10 L HA . 19267 1 45 . 1 1 10 10 LEU C C 13 176.503 0.003 . 1 . . . . 10 L C . 19267 1 46 . 1 1 10 10 LEU CA C 13 55.084 0.104 . 1 . . . . 10 L CA . 19267 1 47 . 1 1 10 10 LEU CB C 13 41.483 0.125 . 1 . . . . 10 L CB . 19267 1 48 . 1 1 10 10 LEU N N 15 122.072 0.062 . 1 . . . . 10 L N . 19267 1 49 . 1 1 11 11 SER H H 1 7.913 0.004 . 1 . . . . 11 S H . 19267 1 50 . 1 1 11 11 SER HA H 1 4.499 0.000 . 1 . . . . 11 S HA . 19267 1 51 . 1 1 11 11 SER C C 13 173.930 0.002 . 1 . . . . 11 S C . 19267 1 52 . 1 1 11 11 SER CA C 13 57.780 0.130 . 1 . . . . 11 S CA . 19267 1 53 . 1 1 11 11 SER CB C 13 63.956 0.011 . 1 . . . . 11 S CB . 19267 1 54 . 1 1 11 11 SER N N 15 114.490 0.054 . 1 . . . . 11 S N . 19267 1 55 . 1 1 12 12 SER H H 1 8.025 0.005 . 1 . . . . 12 S H . 19267 1 56 . 1 1 12 12 SER HA H 1 4.753 0.000 . 1 . . . . 12 S HA . 19267 1 57 . 1 1 12 12 SER C C 13 173.264 0.000 . 1 . . . . 12 S C . 19267 1 58 . 1 1 12 12 SER CA C 13 55.988 0.000 . 1 . . . . 12 S CA . 19267 1 59 . 1 1 12 12 SER CB C 13 63.861 0.000 . 1 . . . . 12 S CB . 19267 1 60 . 1 1 12 12 SER N N 15 117.139 0.056 . 1 . . . . 12 S N . 19267 1 61 . 1 1 13 13 PRO C C 13 177.334 0.002 . 1 . . . . 13 P C . 19267 1 62 . 1 1 13 13 PRO CA C 13 63.639 0.157 . 1 . . . . 13 P CA . 19267 1 63 . 1 1 13 13 PRO CB C 13 31.624 0.011 . 1 . . . . 13 P CB . 19267 1 64 . 1 1 14 14 LYS H H 1 8.016 0.001 . 1 . . . . 14 K H . 19267 1 65 . 1 1 14 14 LYS HA H 1 4.267 0.000 . 1 . . . . 14 K HA . 19267 1 66 . 1 1 14 14 LYS C C 13 176.842 0.008 . 1 . . . . 14 K C . 19267 1 67 . 1 1 14 14 LYS CA C 13 56.871 0.136 . 1 . . . . 14 K CA . 19267 1 68 . 1 1 14 14 LYS CB C 13 32.226 0.114 . 1 . . . . 14 K CB . 19267 1 69 . 1 1 14 14 LYS N N 15 118.451 0.071 . 1 . . . . 14 K N . 19267 1 70 . 1 1 15 15 LEU H H 1 7.722 0.002 . 1 . . . . 15 L H . 19267 1 71 . 1 1 15 15 LEU HA H 1 4.215 0.000 . 1 . . . . 15 L HA . 19267 1 72 . 1 1 15 15 LEU C C 13 177.216 0.005 . 1 . . . . 15 L C . 19267 1 73 . 1 1 15 15 LEU CA C 13 55.697 0.097 . 1 . . . . 15 L CA . 19267 1 74 . 1 1 15 15 LEU CB C 13 41.587 0.104 . 1 . . . . 15 L CB . 19267 1 75 . 1 1 15 15 LEU N N 15 119.332 0.068 . 1 . . . . 15 L N . 19267 1 76 . 1 1 16 16 ASP H H 1 8.092 0.003 . 1 . . . . 16 D H . 19267 1 77 . 1 1 16 16 ASP HA H 1 4.444 0.000 . 1 . . . . 16 D HA . 19267 1 78 . 1 1 16 16 ASP C C 13 176.909 0.007 . 1 . . . . 16 D C . 19267 1 79 . 1 1 16 16 ASP CA C 13 55.671 0.093 . 1 . . . . 16 D CA . 19267 1 80 . 1 1 16 16 ASP CB C 13 40.135 0.036 . 1 . . . . 16 D CB . 19267 1 81 . 1 1 16 16 ASP N N 15 119.117 0.070 . 1 . . . . 16 D N . 19267 1 82 . 1 1 17 17 VAL H H 1 7.462 0.004 . 1 . . . . 17 V H . 19267 1 83 . 1 1 17 17 VAL HA H 1 4.022 0.000 . 1 . . . . 17 V HA . 19267 1 84 . 1 1 17 17 VAL C C 13 176.445 0.001 . 1 . . . . 17 V C . 19267 1 85 . 1 1 17 17 VAL CA C 13 63.261 0.147 . 1 . . . . 17 V CA . 19267 1 86 . 1 1 17 17 VAL CB C 13 32.192 0.116 . 1 . . . . 17 V CB . 19267 1 87 . 1 1 17 17 VAL N N 15 117.225 0.056 . 1 . . . . 17 V N . 19267 1 88 . 1 1 18 18 VAL H H 1 7.639 0.005 . 1 . . . . 18 V H . 19267 1 89 . 1 1 18 18 VAL HA H 1 3.999 0.000 . 1 . . . . 18 V HA . 19267 1 90 . 1 1 18 18 VAL C C 13 176.549 0.010 . 1 . . . . 18 V C . 19267 1 91 . 1 1 18 18 VAL CA C 13 63.515 0.200 . 1 . . . . 18 V CA . 19267 1 92 . 1 1 18 18 VAL CB C 13 31.983 0.108 . 1 . . . . 18 V CB . 19267 1 93 . 1 1 18 18 VAL N N 15 119.861 0.067 . 1 . . . . 18 V N . 19267 1 94 . 1 1 19 19 ILE H H 1 7.963 0.004 . 1 . . . . 19 I H . 19267 1 95 . 1 1 19 19 ILE HA H 1 3.986 0.000 . 1 . . . . 19 I HA . 19267 1 96 . 1 1 19 19 ILE C C 13 176.458 0.015 . 1 . . . . 19 I C . 19267 1 97 . 1 1 19 19 ILE CA C 13 62.002 0.167 . 1 . . . . 19 I CA . 19267 1 98 . 1 1 19 19 ILE CB C 13 37.962 0.146 . 1 . . . . 19 I CB . 19267 1 99 . 1 1 19 19 ILE N N 15 120.947 0.069 . 1 . . . . 19 I N . 19267 1 100 . 1 1 20 20 ASP H H 1 8.025 0.003 . 1 . . . . 20 D H . 19267 1 101 . 1 1 20 20 ASP HA H 1 4.615 0.000 . 1 . . . . 20 D HA . 19267 1 102 . 1 1 20 20 ASP C C 13 176.740 0.008 . 1 . . . . 20 D C . 19267 1 103 . 1 1 20 20 ASP CA C 13 54.615 0.108 . 1 . . . . 20 D CA . 19267 1 104 . 1 1 20 20 ASP CB C 13 40.929 0.052 . 1 . . . . 20 D CB . 19267 1 105 . 1 1 20 20 ASP N N 15 121.744 0.083 . 1 . . . . 20 D N . 19267 1 106 . 1 1 21 21 MET H H 1 8.004 0.005 . 1 . . . . 21 M H . 19267 1 107 . 1 1 21 21 MET HA H 1 4.319 0.000 . 1 . . . . 21 M HA . 19267 1 108 . 1 1 21 21 MET C C 13 176.781 0.003 . 1 . . . . 21 M C . 19267 1 109 . 1 1 21 21 MET CA C 13 56.445 0.115 . 1 . . . . 21 M CA . 19267 1 110 . 1 1 21 21 MET CB C 13 32.620 0.081 . 1 . . . . 21 M CB . 19267 1 111 . 1 1 21 21 MET N N 15 119.561 0.064 . 1 . . . . 21 M N . 19267 1 112 . 1 1 22 22 GLY H H 1 8.091 0.003 . 1 . . . . 22 G H . 19267 1 113 . 1 1 22 22 GLY HA2 H 1 3.939 0.000 . 1 . . . . 22 G HA2 . 19267 1 114 . 1 1 22 22 GLY HA3 H 1 3.846 0.000 . 1 . . . . 22 G HA3 . 19267 1 115 . 1 1 22 22 GLY C C 13 173.049 0.002 . 1 . . . . 22 G C . 19267 1 116 . 1 1 22 22 GLY CA C 13 45.028 0.093 . 1 . . . . 22 G CA . 19267 1 117 . 1 1 22 22 GLY N N 15 107.287 0.060 . 1 . . . . 22 G N . 19267 1 118 . 1 1 23 23 ASN H H 1 7.968 0.002 . 1 . . . . 23 N H . 19267 1 119 . 1 1 23 23 ASN HA H 1 4.855 0.000 . 1 . . . . 23 N HA . 19267 1 120 . 1 1 23 23 ASN C C 13 174.293 0.000 . 1 . . . . 23 N C . 19267 1 121 . 1 1 23 23 ASN CA C 13 51.697 0.000 . 1 . . . . 23 N CA . 19267 1 122 . 1 1 23 23 ASN CB C 13 38.937 0.000 . 1 . . . . 23 N CB . 19267 1 123 . 1 1 23 23 ASN N N 15 117.585 0.061 . 1 . . . . 23 N N . 19267 1 124 . 1 1 24 24 PRO C C 13 177.332 0.007 . 1 . . . . 24 P C . 19267 1 125 . 1 1 24 24 PRO CA C 13 63.910 0.071 . 1 . . . . 24 P CA . 19267 1 126 . 1 1 24 24 PRO CB C 13 31.309 0.120 . 1 . . . . 24 P CB . 19267 1 127 . 1 1 25 25 PHE H H 1 7.972 0.002 . 1 . . . . 25 F H . 19267 1 128 . 1 1 25 25 PHE HA H 1 4.497 0.004 . 1 . . . . 25 F HA . 19267 1 129 . 1 1 25 25 PHE C C 13 176.553 0.009 . 1 . . . . 25 F C . 19267 1 130 . 1 1 25 25 PHE CA C 13 58.725 0.122 . 1 . . . . 25 F CA . 19267 1 131 . 1 1 25 25 PHE CB C 13 38.366 0.126 . 1 . . . . 25 F CB . 19267 1 132 . 1 1 25 25 PHE N N 15 116.844 0.069 . 1 . . . . 25 F N . 19267 1 133 . 1 1 26 26 LEU H H 1 7.552 0.007 . 1 . . . . 26 L H . 19267 1 134 . 1 1 26 26 LEU HA H 1 4.183 0.001 . 1 . . . . 26 L HA . 19267 1 135 . 1 1 26 26 LEU C C 13 177.574 0.005 . 1 . . . . 26 L C . 19267 1 136 . 1 1 26 26 LEU CA C 13 56.292 0.074 . 1 . . . . 26 L CA . 19267 1 137 . 1 1 26 26 LEU CB C 13 41.528 0.083 . 1 . . . . 26 L CB . 19267 1 138 . 1 1 26 26 LEU N N 15 119.173 0.061 . 1 . . . . 26 L N . 19267 1 139 . 1 1 27 27 ASN H H 1 8.071 0.003 . 1 . . . . 27 N H . 19267 1 140 . 1 1 27 27 ASN HA H 1 4.700 0.005 . 1 . . . . 27 N HA . 19267 1 141 . 1 1 27 27 ASN C C 13 175.206 0.065 . 1 . . . . 27 N C . 19267 1 142 . 1 1 27 27 ASN CA C 13 53.795 0.074 . 1 . . . . 27 N CA . 19267 1 143 . 1 1 27 27 ASN CB C 13 38.912 0.058 . 1 . . . . 27 N CB . 19267 1 144 . 1 1 27 27 ASN N N 15 115.860 0.057 . 1 . . . . 27 N N . 19267 1 145 . 1 1 28 28 LEU H H 1 7.638 0.005 . 1 . . . . 28 L H . 19267 1 146 . 1 1 28 28 LEU HA H 1 4.380 0.002 . 1 . . . . 28 L HA . 19267 1 147 . 1 1 28 28 LEU C C 13 176.664 0.002 . 1 . . . . 28 L C . 19267 1 148 . 1 1 28 28 LEU CA C 13 55.591 0.108 . 1 . . . . 28 L CA . 19267 1 149 . 1 1 28 28 LEU CB C 13 42.207 0.105 . 1 . . . . 28 L CB . 19267 1 150 . 1 1 28 28 LEU N N 15 120.585 0.063 . 1 . . . . 28 L N . 19267 1 151 . 1 1 29 29 THR H H 1 7.844 0.003 . 1 . . . . 29 T H . 19267 1 152 . 1 1 29 29 THR HA H 1 4.502 0.008 . 1 . . . . 29 T HA . 19267 1 153 . 1 1 29 29 THR C C 13 175.037 0.007 . 1 . . . . 29 T C . 19267 1 154 . 1 1 29 29 THR CA C 13 61.379 0.118 . 1 . . . . 29 T CA . 19267 1 155 . 1 1 29 29 THR CB C 13 70.452 0.077 . 1 . . . . 29 T CB . 19267 1 156 . 1 1 29 29 THR N N 15 112.766 0.060 . 1 . . . . 29 T N . 19267 1 157 . 1 1 30 30 VAL H H 1 8.112 0.003 . 1 . . . . 30 V H . 19267 1 158 . 1 1 30 30 VAL HA H 1 3.973 0.007 . 1 . . . . 30 V HA . 19267 1 159 . 1 1 30 30 VAL C C 13 176.445 0.004 . 1 . . . . 30 V C . 19267 1 160 . 1 1 30 30 VAL CA C 13 64.173 0.129 . 1 . . . . 30 V CA . 19267 1 161 . 1 1 30 30 VAL CB C 13 31.638 0.155 . 1 . . . . 30 V CB . 19267 1 162 . 1 1 30 30 VAL N N 15 120.308 0.061 . 1 . . . . 30 V N . 19267 1 163 . 1 1 31 31 ASP H H 1 8.135 0.002 . 1 . . . . 31 D H . 19267 1 164 . 1 1 31 31 ASP HA H 1 4.479 0.002 . 1 . . . . 31 D HA . 19267 1 165 . 1 1 31 31 ASP C C 13 177.742 0.005 . 1 . . . . 31 D C . 19267 1 166 . 1 1 31 31 ASP CA C 13 55.856 0.139 . 1 . . . . 31 D CA . 19267 1 167 . 1 1 31 31 ASP CB C 13 40.610 0.074 . 1 . . . . 31 D CB . 19267 1 168 . 1 1 31 31 ASP N N 15 119.678 0.087 . 1 . . . . 31 D N . 19267 1 169 . 1 1 32 32 GLY H H 1 8.113 0.003 . 1 . . . . 32 G H . 19267 1 170 . 1 1 32 32 GLY HA2 H 1 3.891 0.000 . 1 . . . . 32 G HA . 19267 1 171 . 1 1 32 32 GLY HA3 H 1 3.891 0.000 . 1 . . . . 32 G HA . 19267 1 172 . 1 1 32 32 GLY C C 13 174.912 0.001 . 1 . . . . 32 G C . 19267 1 173 . 1 1 32 32 GLY CA C 13 46.289 0.091 . 1 . . . . 32 G CA . 19267 1 174 . 1 1 32 32 GLY N N 15 107.874 0.074 . 1 . . . . 32 G N . 19267 1 175 . 1 1 33 33 PHE H H 1 8.027 0.004 . 1 . . . . 33 F H . 19267 1 176 . 1 1 33 33 PHE HA H 1 4.399 0.001 . 1 . . . . 33 F HA . 19267 1 177 . 1 1 33 33 PHE C C 13 176.913 0.000 . 1 . . . . 33 F C . 19267 1 178 . 1 1 33 33 PHE CA C 13 59.912 0.202 . 1 . . . . 33 F CA . 19267 1 179 . 1 1 33 33 PHE CB C 13 38.919 0.093 . 1 . . . . 33 F CB . 19267 1 180 . 1 1 33 33 PHE N N 15 119.932 0.066 . 1 . . . . 33 F N . 19267 1 181 . 1 1 34 34 LEU H H 1 8.028 0.002 . 1 . . . . 34 L H . 19267 1 182 . 1 1 34 34 LEU C C 13 178.578 0.009 . 1 . . . . 34 L C . 19267 1 183 . 1 1 34 34 LEU CA C 13 56.730 0.145 . 1 . . . . 34 L CA . 19267 1 184 . 1 1 34 34 LEU CB C 13 40.920 0.096 . 1 . . . . 34 L CB . 19267 1 185 . 1 1 34 34 LEU N N 15 118.461 0.023 . 1 . . . . 34 L N . 19267 1 186 . 1 1 35 35 LYS H H 1 7.825 0.003 . 1 . . . . 35 K H . 19267 1 187 . 1 1 35 35 LYS HA H 1 4.185 0.004 . 1 . . . . 35 K HA . 19267 1 188 . 1 1 35 35 LYS C C 13 178.009 0.006 . 1 . . . . 35 K C . 19267 1 189 . 1 1 35 35 LYS CA C 13 57.870 0.152 . 1 . . . . 35 K CA . 19267 1 190 . 1 1 35 35 LYS CB C 13 31.782 0.124 . 1 . . . . 35 K CB . 19267 1 191 . 1 1 35 35 LYS N N 15 118.976 0.062 . 1 . . . . 35 K N . 19267 1 192 . 1 1 36 36 ILE H H 1 7.740 0.004 . 1 . . . . 36 I H . 19267 1 193 . 1 1 36 36 ILE HA H 1 3.870 0.002 . 1 . . . . 36 I HA . 19267 1 194 . 1 1 36 36 ILE C C 13 177.626 0.002 . 1 . . . . 36 I C . 19267 1 195 . 1 1 36 36 ILE CA C 13 63.316 0.139 . 1 . . . . 36 I CA . 19267 1 196 . 1 1 36 36 ILE CB C 13 37.403 0.196 . 1 . . . . 36 I CB . 19267 1 197 . 1 1 36 36 ILE N N 15 118.411 0.083 . 1 . . . . 36 I N . 19267 1 198 . 1 1 37 37 GLY H H 1 8.320 0.002 . 1 . . . . 37 G H . 19267 1 199 . 1 1 37 37 GLY C C 13 175.076 0.006 . 1 . . . . 37 G C . 19267 1 200 . 1 1 37 37 GLY CA C 13 46.632 0.084 . 1 . . . . 37 G CA . 19267 1 201 . 1 1 37 37 GLY N N 15 108.581 0.113 . 1 . . . . 37 G N . 19267 1 202 . 1 1 38 38 ALA H H 1 7.940 0.003 . 1 . . . . 38 A H . 19267 1 203 . 1 1 38 38 ALA HA H 1 4.197 0.005 . 1 . . . . 38 A HA . 19267 1 204 . 1 1 38 38 ALA C C 13 179.864 0.013 . 1 . . . . 38 A C . 19267 1 205 . 1 1 38 38 ALA CA C 13 54.290 0.147 . 1 . . . . 38 A CA . 19267 1 206 . 1 1 38 38 ALA CB C 13 18.295 0.052 . 1 . . . . 38 A CB . 19267 1 207 . 1 1 38 38 ALA N N 15 122.642 0.068 . 1 . . . . 38 A N . 19267 1 208 . 1 1 39 39 VAL H H 1 7.789 0.005 . 1 . . . . 39 V H . 19267 1 209 . 1 1 39 39 VAL HA H 1 3.798 0.003 . 1 . . . . 39 V HA . 19267 1 210 . 1 1 39 39 VAL C C 13 177.853 0.018 . 1 . . . . 39 V C . 19267 1 211 . 1 1 39 39 VAL CA C 13 65.006 0.112 . 1 . . . . 39 V CA . 19267 1 212 . 1 1 39 39 VAL CB C 13 31.353 0.141 . 1 . . . . 39 V CB . 19267 1 213 . 1 1 39 39 VAL N N 15 118.034 0.084 . 1 . . . . 39 V N . 19267 1 214 . 1 1 40 40 ALA H H 1 8.191 0.003 . 1 . . . . 40 A H . 19267 1 215 . 1 1 40 40 ALA HA H 1 4.082 0.000 . 1 . . . . 40 A HA . 19267 1 216 . 1 1 40 40 ALA C C 13 179.172 0.006 . 1 . . . . 40 A C . 19267 1 217 . 1 1 40 40 ALA CA C 13 54.408 0.160 . 1 . . . . 40 A CA . 19267 1 218 . 1 1 40 40 ALA CB C 13 17.991 0.118 . 1 . . . . 40 A CB . 19267 1 219 . 1 1 40 40 ALA N N 15 122.715 0.088 . 1 . . . . 40 A N . 19267 1 220 . 1 1 41 41 ALA H H 1 8.047 0.005 . 1 . . . . 41 A H . 19267 1 221 . 1 1 41 41 ALA HA H 1 4.219 0.002 . 1 . . . . 41 A HA . 19267 1 222 . 1 1 41 41 ALA C C 13 179.155 0.001 . 1 . . . . 41 A C . 19267 1 223 . 1 1 41 41 ALA CA C 13 53.963 0.106 . 1 . . . . 41 A CA . 19267 1 224 . 1 1 41 41 ALA CB C 13 18.352 0.058 . 1 . . . . 41 A CB . 19267 1 225 . 1 1 41 41 ALA N N 15 118.829 0.086 . 1 . . . . 41 A N . 19267 1 226 . 1 1 42 42 THR H H 1 7.772 0.005 . 1 . . . . 42 T H . 19267 1 227 . 1 1 42 42 THR HA H 1 4.191 0.008 . 1 . . . . 42 T HA . 19267 1 228 . 1 1 42 42 THR C C 13 175.560 0.002 . 1 . . . . 42 T C . 19267 1 229 . 1 1 42 42 THR CA C 13 63.513 0.051 . 1 . . . . 42 T CA . 19267 1 230 . 1 1 42 42 THR CB C 13 69.297 0.142 . 1 . . . . 42 T CB . 19267 1 231 . 1 1 42 42 THR N N 15 110.663 0.079 . 1 . . . . 42 T N . 19267 1 232 . 1 1 43 43 ARG H H 1 7.933 0.004 . 1 . . . . 43 R H . 19267 1 233 . 1 1 43 43 ARG HA H 1 4.242 0.000 . 1 . . . . 43 R HA . 19267 1 234 . 1 1 43 43 ARG C C 13 176.729 0.019 . 1 . . . . 43 R C . 19267 1 235 . 1 1 43 43 ARG CA C 13 56.998 0.170 . 1 . . . . 43 R CA . 19267 1 236 . 1 1 43 43 ARG CB C 13 29.832 0.202 . 1 . . . . 43 R CB . 19267 1 237 . 1 1 43 43 ARG N N 15 120.931 0.084 . 1 . . . . 43 R N . 19267 1 238 . 1 1 44 44 SER H H 1 8.016 0.002 . 1 . . . . 44 S H . 19267 1 239 . 1 1 44 44 SER HA H 1 4.460 0.000 . 1 . . . . 44 S HA . 19267 1 240 . 1 1 44 44 SER C C 13 175.068 0.011 . 1 . . . . 44 S C . 19267 1 241 . 1 1 44 44 SER CA C 13 59.203 0.109 . 1 . . . . 44 S CA . 19267 1 242 . 1 1 44 44 SER CB C 13 63.588 0.026 . 1 . . . . 44 S CB . 19267 1 243 . 1 1 44 44 SER N N 15 114.543 0.069 . 1 . . . . 44 S N . 19267 1 244 . 1 1 45 45 VAL H H 1 7.783 0.003 . 1 . . . . 45 V H . 19267 1 245 . 1 1 45 45 VAL HA H 1 4.123 0.000 . 1 . . . . 45 V HA . 19267 1 246 . 1 1 45 45 VAL C C 13 176.544 0.009 . 1 . . . . 45 V C . 19267 1 247 . 1 1 45 45 VAL CA C 13 62.706 0.135 . 1 . . . . 45 V CA . 19267 1 248 . 1 1 45 45 VAL CB C 13 31.797 0.163 . 1 . . . . 45 V CB . 19267 1 249 . 1 1 45 45 VAL N N 15 119.586 0.070 . 1 . . . . 45 V N . 19267 1 250 . 1 1 46 46 ALA H H 1 8.084 0.004 . 1 . . . . 46 A H . 19267 1 251 . 1 1 46 46 ALA HA H 1 4.254 0.000 . 1 . . . . 46 A HA . 19267 1 252 . 1 1 46 46 ALA C C 13 177.981 0.006 . 1 . . . . 46 A C . 19267 1 253 . 1 1 46 46 ALA CA C 13 52.899 0.126 . 1 . . . . 46 A CA . 19267 1 254 . 1 1 46 46 ALA CB C 13 18.803 0.037 . 1 . . . . 46 A CB . 19267 1 255 . 1 1 46 46 ALA N N 15 125.299 0.087 . 1 . . . . 46 A N . 19267 1 256 . 1 1 47 47 GLU H H 1 8.238 0.003 . 1 . . . . 47 E H . 19267 1 257 . 1 1 47 47 GLU C C 13 176.796 0.001 . 1 . . . . 47 E C . 19267 1 258 . 1 1 47 47 GLU CA C 13 57.402 0.119 . 1 . . . . 47 E CA . 19267 1 259 . 1 1 47 47 GLU CB C 13 29.349 0.026 . 1 . . . . 47 E CB . 19267 1 260 . 1 1 47 47 GLU N N 15 118.755 0.012 . 1 . . . . 47 E N . 19267 1 261 . 1 1 48 48 ASP H H 1 8.247 0.002 . 1 . . . . 48 D H . 19267 1 262 . 1 1 48 48 ASP HA H 1 4.611 0.000 . 1 . . . . 48 D HA . 19267 1 263 . 1 1 48 48 ASP C C 13 176.456 0.006 . 1 . . . . 48 D C . 19267 1 264 . 1 1 48 48 ASP CA C 13 54.688 0.100 . 1 . . . . 48 D CA . 19267 1 265 . 1 1 48 48 ASP CB C 13 40.654 0.039 . 1 . . . . 48 D CB . 19267 1 266 . 1 1 48 48 ASP N N 15 118.874 0.078 . 1 . . . . 48 D N . 19267 1 267 . 1 1 49 49 THR H H 1 7.852 0.001 . 1 . . . . 49 T H . 19267 1 268 . 1 1 49 49 THR HA H 1 4.119 0.000 . 1 . . . . 49 T HA . 19267 1 269 . 1 1 49 49 THR C C 13 174.344 0.004 . 1 . . . . 49 T C . 19267 1 270 . 1 1 49 49 THR CA C 13 63.191 0.110 . 1 . . . . 49 T CA . 19267 1 271 . 1 1 49 49 THR CB C 13 69.443 0.124 . 1 . . . . 49 T CB . 19267 1 272 . 1 1 49 49 THR N N 15 114.043 0.083 . 1 . . . . 49 T N . 19267 1 273 . 1 1 50 50 PHE H H 1 8.101 0.002 . 1 . . . . 50 F H . 19267 1 274 . 1 1 50 50 PHE HA H 1 4.472 0.000 . 1 . . . . 50 F HA . 19267 1 275 . 1 1 50 50 PHE C C 13 175.294 0.008 . 1 . . . . 50 F C . 19267 1 276 . 1 1 50 50 PHE CA C 13 58.324 0.157 . 1 . . . . 50 F CA . 19267 1 277 . 1 1 50 50 PHE CB C 13 38.958 0.111 . 1 . . . . 50 F CB . 19267 1 278 . 1 1 50 50 PHE N N 15 120.576 0.072 . 1 . . . . 50 F N . 19267 1 279 . 1 1 51 51 HIS H H 1 7.906 0.002 . 1 . . . . 51 H H . 19267 1 280 . 1 1 51 51 HIS HA H 1 4.620 0.000 . 1 . . . . 51 H HA . 19267 1 281 . 1 1 51 51 HIS C C 13 174.437 0.014 . 1 . . . . 51 H C . 19267 1 282 . 1 1 51 51 HIS CA C 13 55.770 0.099 . 1 . . . . 51 H CA . 19267 1 283 . 1 1 51 51 HIS CB C 13 28.943 0.068 . 1 . . . . 51 H CB . 19267 1 284 . 1 1 51 51 HIS N N 15 118.285 0.061 . 1 . . . . 51 H N . 19267 1 285 . 1 1 52 52 ILE H H 1 7.953 0.003 . 1 . . . . 52 I H . 19267 1 286 . 1 1 52 52 ILE HA H 1 3.981 0.000 . 1 . . . . 52 I HA . 19267 1 287 . 1 1 52 52 ILE C C 13 175.915 0.003 . 1 . . . . 52 I C . 19267 1 288 . 1 1 52 52 ILE CA C 13 62.371 0.145 . 1 . . . . 52 I CA . 19267 1 289 . 1 1 52 52 ILE CB C 13 38.276 0.020 . 1 . . . . 52 I CB . 19267 1 290 . 1 1 52 52 ILE N N 15 119.426 0.076 . 1 . . . . 52 I N . 19267 1 291 . 1 1 53 53 ILE H H 1 7.702 0.003 . 1 . . . . 53 I H . 19267 1 292 . 1 1 53 53 ILE HA H 1 4.082 0.000 . 1 . . . . 53 I HA . 19267 1 293 . 1 1 53 53 ILE C C 13 176.086 0.010 . 1 . . . . 53 I C . 19267 1 294 . 1 1 53 53 ILE CA C 13 61.499 0.127 . 1 . . . . 53 I CA . 19267 1 295 . 1 1 53 53 ILE CB C 13 37.807 0.076 . 1 . . . . 53 I CB . 19267 1 296 . 1 1 53 53 ILE N N 15 119.559 0.069 . 1 . . . . 53 I N . 19267 1 297 . 1 1 54 54 ARG H H 1 7.891 0.003 . 1 . . . . 54 R H . 19267 1 298 . 1 1 54 54 ARG HA H 1 4.316 0.000 . 1 . . . . 54 R HA . 19267 1 299 . 1 1 54 54 ARG C C 13 176.556 0.001 . 1 . . . . 54 R C . 19267 1 300 . 1 1 54 54 ARG CA C 13 55.878 0.143 . 1 . . . . 54 R CA . 19267 1 301 . 1 1 54 54 ARG CB C 13 29.788 0.119 . 1 . . . . 54 R CB . 19267 1 302 . 1 1 54 54 ARG N N 15 121.116 0.071 . 1 . . . . 54 R N . 19267 1 303 . 1 1 55 55 LYS H H 1 7.984 0.003 . 1 . . . . 55 K H . 19267 1 304 . 1 1 55 55 LYS HA H 1 4.223 0.000 . 1 . . . . 55 K HA . 19267 1 305 . 1 1 55 55 LYS C C 13 177.320 0.004 . 1 . . . . 55 K C . 19267 1 306 . 1 1 55 55 LYS CA C 13 56.874 0.106 . 1 . . . . 55 K CA . 19267 1 307 . 1 1 55 55 LYS CB C 13 32.308 0.082 . 1 . . . . 55 K CB . 19267 1 308 . 1 1 55 55 LYS N N 15 120.534 0.068 . 1 . . . . 55 K N . 19267 1 309 . 1 1 56 56 GLY H H 1 8.217 0.001 . 1 . . . . 56 G H . 19267 1 310 . 1 1 56 56 GLY C C 13 174.270 0.001 . 1 . . . . 56 G C . 19267 1 311 . 1 1 56 56 GLY CA C 13 45.293 0.061 . 1 . . . . 56 G CA . 19267 1 312 . 1 1 56 56 GLY N N 15 108.867 0.066 . 1 . . . . 56 G N . 19267 1 313 . 1 1 57 57 SER H H 1 8.009 0.002 . 1 . . . . 57 S H . 19267 1 314 . 1 1 57 57 SER HA H 1 4.469 0.000 . 1 . . . . 57 S HA . 19267 1 315 . 1 1 57 57 SER C C 13 174.708 0.006 . 1 . . . . 57 S C . 19267 1 316 . 1 1 57 57 SER CA C 13 58.571 0.122 . 1 . . . . 57 S CA . 19267 1 317 . 1 1 57 57 SER CB C 13 63.961 0.024 . 1 . . . . 57 S CB . 19267 1 318 . 1 1 57 57 SER N N 15 114.894 0.067 . 1 . . . . 57 S N . 19267 1 319 . 1 1 58 58 ILE H H 1 8.008 0.002 . 1 . . . . 58 I H . 19267 1 320 . 1 1 58 58 ILE HA H 1 4.184 0.000 . 1 . . . . 58 I HA . 19267 1 321 . 1 1 58 58 ILE C C 13 176.182 0.002 . 1 . . . . 58 I C . 19267 1 322 . 1 1 58 58 ILE CA C 13 61.624 0.151 . 1 . . . . 58 I CA . 19267 1 323 . 1 1 58 58 ILE CB C 13 38.003 0.137 . 1 . . . . 58 I CB . 19267 1 324 . 1 1 58 58 ILE N N 15 121.139 0.059 . 1 . . . . 58 I N . 19267 1 325 . 1 1 59 59 SER H H 1 8.173 0.003 . 1 . . . . 59 S H . 19267 1 326 . 1 1 59 59 SER HA H 1 4.533 0.000 . 1 . . . . 59 S HA . 19267 1 327 . 1 1 59 59 SER C C 13 174.785 0.003 . 1 . . . . 59 S C . 19267 1 328 . 1 1 59 59 SER CA C 13 57.958 0.132 . 1 . . . . 59 S CA . 19267 1 329 . 1 1 59 59 SER CB C 13 64.112 0.015 . 1 . . . . 59 S CB . 19267 1 330 . 1 1 59 59 SER N N 15 117.356 0.089 . 1 . . . . 59 S N . 19267 1 331 . 1 1 60 60 SER H H 1 8.167 0.002 . 1 . . . . 60 S H . 19267 1 332 . 1 1 60 60 SER HA H 1 4.401 0.000 . 1 . . . . 60 S HA . 19267 1 333 . 1 1 60 60 SER C C 13 174.485 0.002 . 1 . . . . 60 S C . 19267 1 334 . 1 1 60 60 SER CA C 13 58.625 0.125 . 1 . . . . 60 S CA . 19267 1 335 . 1 1 60 60 SER CB C 13 63.604 0.034 . 1 . . . . 60 S CB . 19267 1 336 . 1 1 60 60 SER N N 15 117.180 0.076 . 1 . . . . 60 S N . 19267 1 337 . 1 1 61 61 ASN H H 1 8.169 0.003 . 1 . . . . 61 N H . 19267 1 338 . 1 1 61 61 ASN HA H 1 4.652 0.000 . 1 . . . . 61 N HA . 19267 1 339 . 1 1 61 61 ASN C C 13 174.880 0.003 . 1 . . . . 61 N C . 19267 1 340 . 1 1 61 61 ASN CA C 13 53.581 0.079 . 1 . . . . 61 N CA . 19267 1 341 . 1 1 61 61 ASN CB C 13 39.064 0.050 . 1 . . . . 61 N CB . 19267 1 342 . 1 1 61 61 ASN N N 15 119.977 0.064 . 1 . . . . 61 N N . 19267 1 343 . 1 1 62 62 ASP H H 1 8.126 0.002 . 1 . . . . 62 D H . 19267 1 344 . 1 1 62 62 ASP HA H 1 4.588 0.000 . 1 . . . . 62 D HA . 19267 1 345 . 1 1 62 62 ASP C C 13 176.367 0.008 . 1 . . . . 62 D C . 19267 1 346 . 1 1 62 62 ASP CA C 13 54.689 0.127 . 1 . . . . 62 D CA . 19267 1 347 . 1 1 62 62 ASP CB C 13 40.734 0.046 . 1 . . . . 62 D CB . 19267 1 348 . 1 1 62 62 ASP N N 15 119.860 0.078 . 1 . . . . 62 D N . 19267 1 349 . 1 1 63 63 PHE H H 1 8.056 0.003 . 1 . . . . 63 F H . 19267 1 350 . 1 1 63 63 PHE HA H 1 4.529 0.000 . 1 . . . . 63 F HA . 19267 1 351 . 1 1 63 63 PHE C C 13 176.308 0.012 . 1 . . . . 63 F C . 19267 1 352 . 1 1 63 63 PHE CA C 13 58.530 0.149 . 1 . . . . 63 F CA . 19267 1 353 . 1 1 63 63 PHE CB C 13 38.923 0.038 . 1 . . . . 63 F CB . 19267 1 354 . 1 1 63 63 PHE N N 15 120.464 0.061 . 1 . . . . 63 F N . 19267 1 355 . 1 1 64 64 GLU H H 1 8.286 0.001 . 1 . . . . 64 E H . 19267 1 356 . 1 1 64 64 GLU HA H 1 4.056 0.000 . 1 . . . . 64 E HA . 19267 1 357 . 1 1 64 64 GLU C C 13 176.904 0.010 . 1 . . . . 64 E C . 19267 1 358 . 1 1 64 64 GLU CA C 13 57.702 0.133 . 1 . . . . 64 E CA . 19267 1 359 . 1 1 64 64 GLU CB C 13 29.173 0.104 . 1 . . . . 64 E CB . 19267 1 360 . 1 1 64 64 GLU N N 15 120.914 0.081 . 1 . . . . 64 E N . 19267 1 361 . 1 1 65 65 LYS H H 1 7.865 0.003 . 1 . . . . 65 K H . 19267 1 362 . 1 1 65 65 LYS HA H 1 4.194 0.000 . 1 . . . . 65 K HA . 19267 1 363 . 1 1 65 65 LYS C C 13 177.009 0.006 . 1 . . . . 65 K C . 19267 1 364 . 1 1 65 65 LYS CA C 13 57.010 0.127 . 1 . . . . 65 K CA . 19267 1 365 . 1 1 65 65 LYS CB C 13 32.243 0.058 . 1 . . . . 65 K CB . 19267 1 366 . 1 1 65 65 LYS N N 15 119.472 0.105 . 1 . . . . 65 K N . 19267 1 367 . 1 1 66 66 SER H H 1 7.913 0.004 . 1 . . . . 66 S H . 19267 1 368 . 1 1 66 66 SER HA H 1 4.434 0.000 . 1 . . . . 66 S HA . 19267 1 369 . 1 1 66 66 SER C C 13 175.257 0.028 . 1 . . . . 66 S C . 19267 1 370 . 1 1 66 66 SER CA C 13 59.014 0.022 . 1 . . . . 66 S CA . 19267 1 371 . 1 1 66 66 SER CB C 13 63.687 0.071 . 1 . . . . 66 S CB . 19267 1 372 . 1 1 66 66 SER N N 15 115.262 0.076 . 1 . . . . 66 S N . 19267 1 373 . 1 1 67 67 LEU H H 1 8.289 0.001 . 1 . . . . 67 L H . 19267 1 374 . 1 1 67 67 LEU C C 13 178.515 0.000 . 1 . . . . 67 L C . 19267 1 375 . 1 1 67 67 LEU CA C 13 57.199 0.029 . 1 . . . . 67 L CA . 19267 1 376 . 1 1 67 67 LEU CB C 13 41.243 0.237 . 1 . . . . 67 L CB . 19267 1 377 . 1 1 67 67 LEU N N 15 123.639 0.111 . 1 . . . . 67 L N . 19267 1 378 . 1 1 68 68 LYS H H 1 7.961 0.002 . 1 . . . . 68 K H . 19267 1 379 . 1 1 68 68 LYS C C 13 177.901 0.012 . 1 . . . . 68 K C . 19267 1 380 . 1 1 68 68 LYS CA C 13 58.950 0.072 . 1 . . . . 68 K CA . 19267 1 381 . 1 1 68 68 LYS CB C 13 31.826 0.110 . 1 . . . . 68 K CB . 19267 1 382 . 1 1 68 68 LYS N N 15 117.514 0.016 . 1 . . . . 68 K N . 19267 1 383 . 1 1 69 69 LYS H H 1 7.646 0.005 . 1 . . . . 69 K H . 19267 1 384 . 1 1 69 69 LYS HA H 1 4.092 0.000 . 1 . . . . 69 K HA . 19267 1 385 . 1 1 69 69 LYS C C 13 177.772 0.007 . 1 . . . . 69 K C . 19267 1 386 . 1 1 69 69 LYS CA C 13 57.990 0.071 . 1 . . . . 69 K CA . 19267 1 387 . 1 1 69 69 LYS CB C 13 32.055 0.138 . 1 . . . . 69 K CB . 19267 1 388 . 1 1 69 69 LYS N N 15 118.282 0.078 . 1 . . . . 69 K N . 19267 1 389 . 1 1 70 70 MET H H 1 7.907 0.004 . 1 . . . . 70 M H . 19267 1 390 . 1 1 70 70 MET HA H 1 4.257 0.000 . 1 . . . . 70 M HA . 19267 1 391 . 1 1 70 70 MET C C 13 177.351 0.017 . 1 . . . . 70 M C . 19267 1 392 . 1 1 70 70 MET CA C 13 57.394 0.000 . 1 . . . . 70 M CA . 19267 1 393 . 1 1 70 70 MET CB C 13 32.752 0.165 . 1 . . . . 70 M CB . 19267 1 394 . 1 1 70 70 MET N N 15 117.735 0.088 . 1 . . . . 70 M N . 19267 1 395 . 1 1 71 71 CYS H H 1 7.933 0.002 . 1 . . . . 71 C H . 19267 1 396 . 1 1 71 71 CYS C C 13 175.510 0.000 . 1 . . . . 71 C C . 19267 1 397 . 1 1 71 71 CYS CA C 13 60.952 0.041 . 1 . . . . 71 C CA . 19267 1 398 . 1 1 71 71 CYS CB C 13 27.469 0.044 . 1 . . . . 71 C CB . 19267 1 399 . 1 1 71 71 CYS N N 15 116.638 0.056 . 1 . . . . 71 C N . 19267 1 400 . 1 1 72 72 LYS H H 1 7.957 0.011 . 1 . . . . 72 K H . 19267 1 401 . 1 1 72 72 LYS C C 13 177.016 0.021 . 1 . . . . 72 K C . 19267 1 402 . 1 1 72 72 LYS CA C 13 57.011 0.083 . 1 . . . . 72 K CA . 19267 1 403 . 1 1 72 72 LYS CB C 13 31.994 0.079 . 1 . . . . 72 K CB . 19267 1 404 . 1 1 72 72 LYS N N 15 120.286 0.155 . 1 . . . . 72 K N . 19267 1 405 . 1 1 73 73 GLU H H 1 8.138 0.004 . 1 . . . . 73 E H . 19267 1 406 . 1 1 73 73 GLU HA H 1 4.260 0.000 . 1 . . . . 73 E HA . 19267 1 407 . 1 1 73 73 GLU C C 13 177.179 0.003 . 1 . . . . 73 E C . 19267 1 408 . 1 1 73 73 GLU CA C 13 56.473 0.015 . 1 . . . . 73 E CA . 19267 1 409 . 1 1 73 73 GLU CB C 13 29.167 0.124 . 1 . . . . 73 E CB . 19267 1 410 . 1 1 73 73 GLU N N 15 118.094 0.089 . 1 . . . . 73 E N . 19267 1 411 . 1 1 74 74 GLY H H 1 8.063 0.002 . 1 . . . . 74 G H . 19267 1 412 . 1 1 74 74 GLY C C 13 174.636 0.003 . 1 . . . . 74 G C . 19267 1 413 . 1 1 74 74 GLY CA C 13 45.555 0.063 . 1 . . . . 74 G CA . 19267 1 414 . 1 1 74 74 GLY N N 15 108.447 0.092 . 1 . . . . 74 G N . 19267 1 415 . 1 1 75 75 ALA H H 1 8.035 0.002 . 1 . . . . 75 A H . 19267 1 416 . 1 1 75 75 ALA HA H 1 4.145 0.000 . 1 . . . . 75 A HA . 19267 1 417 . 1 1 75 75 ALA C C 13 178.607 0.000 . 1 . . . . 75 A C . 19267 1 418 . 1 1 75 75 ALA CA C 13 53.216 0.162 . 1 . . . . 75 A CA . 19267 1 419 . 1 1 75 75 ALA CB C 13 18.344 0.161 . 1 . . . . 75 A CB . 19267 1 420 . 1 1 75 75 ALA N N 15 122.781 0.074 . 1 . . . . 75 A N . 19267 1 421 . 1 1 76 76 TYR H H 1 7.876 0.006 . 1 . . . . 76 Y H . 19267 1 422 . 1 1 76 76 TYR C C 13 176.731 0.022 . 1 . . . . 76 Y C . 19267 1 423 . 1 1 76 76 TYR CA C 13 58.740 0.000 . 1 . . . . 76 Y CA . 19267 1 424 . 1 1 76 76 TYR CB C 13 37.746 0.041 . 1 . . . . 76 Y CB . 19267 1 425 . 1 1 76 76 TYR N N 15 116.793 0.074 . 1 . . . . 76 Y N . 19267 1 426 . 1 1 77 77 TRP H H 1 7.761 0.002 . 1 . . . . 77 W H . 19267 1 427 . 1 1 77 77 TRP C C 13 177.719 0.005 . 1 . . . . 77 W C . 19267 1 428 . 1 1 77 77 TRP CA C 13 59.273 0.017 . 1 . . . . 77 W CA . 19267 1 429 . 1 1 77 77 TRP CB C 13 29.175 0.096 . 1 . . . . 77 W CB . 19267 1 430 . 1 1 77 77 TRP N N 15 119.923 0.034 . 1 . . . . 77 W N . 19267 1 431 . 1 1 78 78 GLY H H 1 8.168 0.002 . 1 . . . . 78 G H . 19267 1 432 . 1 1 78 78 GLY C C 13 175.959 0.006 . 1 . . . . 78 G C . 19267 1 433 . 1 1 78 78 GLY CA C 13 46.494 0.099 . 1 . . . . 78 G CA . 19267 1 434 . 1 1 78 78 GLY N N 15 105.386 0.087 . 1 . . . . 78 G N . 19267 1 435 . 1 1 79 79 ALA H H 1 7.685 0.004 . 1 . . . . 79 A H . 19267 1 436 . 1 1 79 79 ALA HA H 1 4.246 0.000 . 1 . . . . 79 A HA . 19267 1 437 . 1 1 79 79 ALA C C 13 179.410 0.000 . 1 . . . . 79 A C . 19267 1 438 . 1 1 79 79 ALA CA C 13 54.014 0.086 . 1 . . . . 79 A CA . 19267 1 439 . 1 1 79 79 ALA CB C 13 18.238 0.093 . 1 . . . . 79 A CB . 19267 1 440 . 1 1 79 79 ALA N N 15 123.424 0.076 . 1 . . . . 79 A N . 19267 1 441 . 1 1 80 80 ILE H H 1 7.745 0.004 . 1 . . . . 80 I H . 19267 1 442 . 1 1 80 80 ILE HA H 1 3.807 0.000 . 1 . . . . 80 I HA . 19267 1 443 . 1 1 80 80 ILE C C 13 177.113 0.002 . 1 . . . . 80 I C . 19267 1 444 . 1 1 80 80 ILE CA C 13 63.501 0.186 . 1 . . . . 80 I CA . 19267 1 445 . 1 1 80 80 ILE CB C 13 37.507 0.000 . 1 . . . . 80 I CB . 19267 1 446 . 1 1 80 80 ILE N N 15 117.052 0.092 . 1 . . . . 80 I N . 19267 1 447 . 1 1 81 81 ALA H H 1 8.191 0.004 . 1 . . . . 81 A H . 19267 1 448 . 1 1 81 81 ALA C C 13 179.333 0.000 . 1 . . . . 81 A C . 19267 1 449 . 1 1 81 81 ALA CA C 13 54.488 0.142 . 1 . . . . 81 A CA . 19267 1 450 . 1 1 81 81 ALA CB C 13 17.764 0.037 . 1 . . . . 81 A CB . 19267 1 451 . 1 1 81 81 ALA N N 15 121.807 0.120 . 1 . . . . 81 A N . 19267 1 452 . 1 1 82 82 GLY H H 1 7.926 0.002 . 1 . . . . 82 G H . 19267 1 453 . 1 1 82 82 GLY C C 13 175.865 0.003 . 1 . . . . 82 G C . 19267 1 454 . 1 1 82 82 GLY CA C 13 46.214 0.081 . 1 . . . . 82 G CA . 19267 1 455 . 1 1 82 82 GLY N N 15 103.857 0.081 . 1 . . . . 82 G N . 19267 1 456 . 1 1 83 83 VAL H H 1 7.678 0.004 . 1 . . . . 83 V H . 19267 1 457 . 1 1 83 83 VAL HA H 1 3.899 0.000 . 1 . . . . 83 V HA . 19267 1 458 . 1 1 83 83 VAL C C 13 177.032 0.010 . 1 . . . . 83 V C . 19267 1 459 . 1 1 83 83 VAL CA C 13 64.597 0.210 . 1 . . . . 83 V CA . 19267 1 460 . 1 1 83 83 VAL CB C 13 31.683 0.000 . 1 . . . . 83 V CB . 19267 1 461 . 1 1 83 83 VAL N N 15 120.267 0.069 . 1 . . . . 83 V N . 19267 1 462 . 1 1 84 84 TYR H H 1 7.959 0.002 . 1 . . . . 84 Y H . 19267 1 463 . 1 1 84 84 TYR HA H 1 4.330 0.000 . 1 . . . . 84 Y HA . 19267 1 464 . 1 1 84 84 TYR C C 13 176.995 0.000 . 1 . . . . 84 Y C . 19267 1 465 . 1 1 84 84 TYR CA C 13 60.142 0.051 . 1 . . . . 84 Y CA . 19267 1 466 . 1 1 84 84 TYR CB C 13 38.620 0.000 . 1 . . . . 84 Y CB . 19267 1 467 . 1 1 84 84 TYR N N 15 119.810 0.096 . 1 . . . . 84 Y N . 19267 1 468 . 1 1 85 85 VAL H H 1 8.034 0.005 . 1 . . . . 85 V H . 19267 1 469 . 1 1 85 85 VAL HA H 1 3.847 0.000 . 1 . . . . 85 V HA . 19267 1 470 . 1 1 85 85 VAL C C 13 177.578 0.010 . 1 . . . . 85 V C . 19267 1 471 . 1 1 85 85 VAL CA C 13 64.119 0.214 . 1 . . . . 85 V CA . 19267 1 472 . 1 1 85 85 VAL CB C 13 31.449 0.096 . 1 . . . . 85 V CB . 19267 1 473 . 1 1 85 85 VAL N N 15 117.429 0.097 . 1 . . . . 85 V N . 19267 1 474 . 1 1 86 86 GLY H H 1 7.822 0.005 . 1 . . . . 86 G H . 19267 1 475 . 1 1 86 86 GLY C C 13 174.862 0.007 . 1 . . . . 86 G C . 19267 1 476 . 1 1 86 86 GLY CA C 13 45.703 0.080 . 1 . . . . 86 G CA . 19267 1 477 . 1 1 86 86 GLY N N 15 108.383 0.090 . 1 . . . . 86 G N . 19267 1 478 . 1 1 87 87 MET H H 1 7.825 0.005 . 1 . . . . 87 M H . 19267 1 479 . 1 1 87 87 MET HA H 1 4.297 0.000 . 1 . . . . 87 M HA . 19267 1 480 . 1 1 87 87 MET C C 13 176.477 0.006 . 1 . . . . 87 M C . 19267 1 481 . 1 1 87 87 MET CA C 13 56.526 0.109 . 1 . . . . 87 M CA . 19267 1 482 . 1 1 87 87 MET CB C 13 32.431 0.110 . 1 . . . . 87 M CB . 19267 1 483 . 1 1 87 87 MET N N 15 119.690 0.070 . 1 . . . . 87 M N . 19267 1 484 . 1 1 88 88 GLU H H 1 8.167 0.002 . 1 . . . . 88 E H . 19267 1 485 . 1 1 88 88 GLU C C 13 176.722 0.008 . 1 . . . . 88 E C . 19267 1 486 . 1 1 88 88 GLU CA C 13 57.273 0.131 . 1 . . . . 88 E CA . 19267 1 487 . 1 1 88 88 GLU CB C 13 29.045 0.113 . 1 . . . . 88 E CB . 19267 1 488 . 1 1 88 88 GLU N N 15 119.888 0.028 . 1 . . . . 88 E N . 19267 1 489 . 1 1 89 89 TYR H H 1 7.896 0.003 . 1 . . . . 89 Y H . 19267 1 490 . 1 1 89 89 TYR HA H 1 4.486 0.000 . 1 . . . . 89 Y HA . 19267 1 491 . 1 1 89 89 TYR C C 13 176.716 0.003 . 1 . . . . 89 Y C . 19267 1 492 . 1 1 89 89 TYR CA C 13 58.441 0.141 . 1 . . . . 89 Y CA . 19267 1 493 . 1 1 89 89 TYR CB C 13 38.513 0.077 . 1 . . . . 89 Y CB . 19267 1 494 . 1 1 89 89 TYR N N 15 118.951 0.068 . 1 . . . . 89 Y N . 19267 1 495 . 1 1 90 90 GLY H H 1 8.108 0.002 . 1 . . . . 90 G H . 19267 1 496 . 1 1 90 90 GLY C C 13 174.413 0.003 . 1 . . . . 90 G C . 19267 1 497 . 1 1 90 90 GLY CA C 13 45.913 0.047 . 1 . . . . 90 G CA . 19267 1 498 . 1 1 90 90 GLY N N 15 108.537 0.070 . 1 . . . . 90 G N . 19267 1 499 . 1 1 91 91 VAL H H 1 7.980 0.002 . 1 . . . . 91 V H . 19267 1 500 . 1 1 91 91 VAL C C 13 176.549 0.005 . 1 . . . . 91 V C . 19267 1 501 . 1 1 91 91 VAL CA C 13 63.576 0.180 . 1 . . . . 91 V CA . 19267 1 502 . 1 1 91 91 VAL CB C 13 31.647 0.185 . 1 . . . . 91 V CB . 19267 1 503 . 1 1 91 91 VAL N N 15 118.925 0.028 . 1 . . . . 91 V N . 19267 1 504 . 1 1 92 92 GLU H H 1 8.230 0.002 . 1 . . . . 92 E H . 19267 1 505 . 1 1 92 92 GLU HA H 1 4.159 0.000 . 1 . . . . 92 E HA . 19267 1 506 . 1 1 92 92 GLU C C 13 177.394 0.000 . 1 . . . . 92 E C . 19267 1 507 . 1 1 92 92 GLU CA C 13 57.545 0.096 . 1 . . . . 92 E CA . 19267 1 508 . 1 1 92 92 GLU CB C 13 29.158 0.081 . 1 . . . . 92 E CB . 19267 1 509 . 1 1 92 92 GLU N N 15 121.362 0.066 . 1 . . . . 92 E N . 19267 1 510 . 1 1 93 93 ARG H H 1 7.948 0.002 . 1 . . . . 93 R H . 19267 1 511 . 1 1 93 93 ARG HA H 1 4.253 0.000 . 1 . . . . 93 R HA . 19267 1 512 . 1 1 93 93 ARG C C 13 177.112 0.000 . 1 . . . . 93 R C . 19267 1 513 . 1 1 93 93 ARG CA C 13 56.918 0.215 . 1 . . . . 93 R CA . 19267 1 514 . 1 1 93 93 ARG CB C 13 29.928 0.242 . 1 . . . . 93 R CB . 19267 1 515 . 1 1 93 93 ARG N N 15 119.145 0.062 . 1 . . . . 93 R N . 19267 1 516 . 1 1 94 94 ILE H H 1 7.891 0.002 . 1 . . . . 94 I H . 19267 1 517 . 1 1 94 94 ILE C C 13 176.894 0.007 . 1 . . . . 94 I C . 19267 1 518 . 1 1 94 94 ILE CA C 13 61.929 0.014 . 1 . . . . 94 I CA . 19267 1 519 . 1 1 94 94 ILE CB C 13 38.108 0.183 . 1 . . . . 94 I CB . 19267 1 520 . 1 1 94 94 ILE N N 15 118.584 0.083 . 1 . . . . 94 I N . 19267 1 521 . 1 1 95 95 ARG H H 1 8.101 0.002 . 1 . . . . 95 R H . 19267 1 522 . 1 1 95 95 ARG HA H 1 4.277 0.000 . 1 . . . . 95 R HA . 19267 1 523 . 1 1 95 95 ARG C C 13 177.136 0.004 . 1 . . . . 95 R C . 19267 1 524 . 1 1 95 95 ARG CA C 13 57.309 0.138 . 1 . . . . 95 R CA . 19267 1 525 . 1 1 95 95 ARG CB C 13 30.034 0.089 . 1 . . . . 95 R CB . 19267 1 526 . 1 1 95 95 ARG N N 15 121.417 0.099 . 1 . . . . 95 R N . 19267 1 527 . 1 1 96 96 GLY H H 1 8.193 0.003 . 1 . . . . 96 G H . 19267 1 528 . 1 1 96 96 GLY C C 13 174.916 0.006 . 1 . . . . 96 G C . 19267 1 529 . 1 1 96 96 GLY CA C 13 45.396 0.062 . 1 . . . . 96 G CA . 19267 1 530 . 1 1 96 96 GLY N N 15 108.092 0.071 . 1 . . . . 96 G N . 19267 1 531 . 1 1 97 97 THR H H 1 7.894 0.003 . 1 . . . . 97 T H . 19267 1 532 . 1 1 97 97 THR HA H 1 4.285 0.000 . 1 . . . . 97 T HA . 19267 1 533 . 1 1 97 97 THR C C 13 174.697 0.002 . 1 . . . . 97 T C . 19267 1 534 . 1 1 97 97 THR CA C 13 62.457 0.097 . 1 . . . . 97 T CA . 19267 1 535 . 1 1 97 97 THR CB C 13 69.630 0.104 . 1 . . . . 97 T CB . 19267 1 536 . 1 1 97 97 THR N N 15 112.391 0.063 . 1 . . . . 97 T N . 19267 1 537 . 1 1 98 98 ARG H H 1 7.893 0.003 . 1 . . . . 98 R H . 19267 1 538 . 1 1 98 98 ARG HA H 1 4.219 0.000 . 1 . . . . 98 R HA . 19267 1 539 . 1 1 98 98 ARG C C 13 175.244 0.026 . 1 . . . . 98 R C . 19267 1 540 . 1 1 98 98 ARG CA C 13 55.341 0.111 . 1 . . . . 98 R CA . 19267 1 541 . 1 1 98 98 ARG CB C 13 30.237 0.178 . 1 . . . . 98 R CB . 19267 1 542 . 1 1 98 98 ARG N N 15 120.885 0.065 . 1 . . . . 98 R N . 19267 1 543 . 1 1 99 99 ASP H H 1 8.124 0.002 . 1 . . . . 99 D H . 19267 1 544 . 1 1 99 99 ASP HA H 1 4.718 0.000 . 1 . . . . 99 D HA . 19267 1 545 . 1 1 99 99 ASP C C 13 176.646 0.001 . 1 . . . . 99 D C . 19267 1 546 . 1 1 99 99 ASP CA C 13 53.214 0.125 . 1 . . . . 99 D CA . 19267 1 547 . 1 1 99 99 ASP CB C 13 40.132 0.036 . 1 . . . . 99 D CB . 19267 1 548 . 1 1 99 99 ASP N N 15 120.919 0.063 . 1 . . . . 99 D N . 19267 1 549 . 1 1 100 100 TRP H H 1 7.858 0.005 . 1 . . . . 100 W H . 19267 1 550 . 1 1 100 100 TRP HA H 1 4.342 0.000 . 1 . . . . 100 W HA . 19267 1 551 . 1 1 100 100 TRP C C 13 177.201 0.004 . 1 . . . . 100 W C . 19267 1 552 . 1 1 100 100 TRP CA C 13 58.695 0.149 . 1 . . . . 100 W CA . 19267 1 553 . 1 1 100 100 TRP CB C 13 29.032 0.023 . 1 . . . . 100 W CB . 19267 1 554 . 1 1 100 100 TRP N N 15 122.755 0.060 . 1 . . . . 100 W N . 19267 1 555 . 1 1 101 101 LYS H H 1 7.870 0.002 . 1 . . . . 101 K H . 19267 1 556 . 1 1 101 101 LYS HA H 1 3.938 0.000 . 1 . . . . 101 K HA . 19267 1 557 . 1 1 101 101 LYS C C 13 177.289 0.003 . 1 . . . . 101 K C . 19267 1 558 . 1 1 101 101 LYS CA C 13 58.380 0.142 . 1 . . . . 101 K CA . 19267 1 559 . 1 1 101 101 LYS CB C 13 31.382 0.041 . 1 . . . . 101 K CB . 19267 1 560 . 1 1 101 101 LYS N N 15 118.519 0.068 . 1 . . . . 101 K N . 19267 1 561 . 1 1 102 102 ASN H H 1 7.718 0.003 . 1 . . . . 102 N H . 19267 1 562 . 1 1 102 102 ASN HA H 1 4.623 0.000 . 1 . . . . 102 N HA . 19267 1 563 . 1 1 102 102 ASN C C 13 175.673 0.006 . 1 . . . . 102 N C . 19267 1 564 . 1 1 102 102 ASN CA C 13 53.993 0.093 . 1 . . . . 102 N CA . 19267 1 565 . 1 1 102 102 ASN CB C 13 38.924 0.041 . 1 . . . . 102 N CB . 19267 1 566 . 1 1 102 102 ASN N N 15 116.214 0.062 . 1 . . . . 102 N N . 19267 1 567 . 1 1 103 103 ALA H H 1 7.803 0.002 . 1 . . . . 103 A H . 19267 1 568 . 1 1 103 103 ALA HA H 1 4.277 0.000 . 1 . . . . 103 A HA . 19267 1 569 . 1 1 103 103 ALA C C 13 178.077 0.004 . 1 . . . . 103 A C . 19267 1 570 . 1 1 103 103 ALA CA C 13 53.034 0.108 . 1 . . . . 103 A CA . 19267 1 571 . 1 1 103 103 ALA CB C 13 18.618 0.083 . 1 . . . . 103 A CB . 19267 1 572 . 1 1 103 103 ALA N N 15 122.036 0.075 . 1 . . . . 103 A N . 19267 1 573 . 1 1 104 104 MET H H 1 7.920 0.003 . 1 . . . . 104 M H . 19267 1 574 . 1 1 104 104 MET HA H 1 4.209 0.000 . 1 . . . . 104 M HA . 19267 1 575 . 1 1 104 104 MET C C 13 176.113 0.009 . 1 . . . . 104 M C . 19267 1 576 . 1 1 104 104 MET CA C 13 56.692 0.124 . 1 . . . . 104 M CA . 19267 1 577 . 1 1 104 104 MET CB C 13 32.626 0.075 . 1 . . . . 104 M CB . 19267 1 578 . 1 1 104 104 MET N N 15 116.790 0.059 . 1 . . . . 104 M N . 19267 1 579 . 1 1 105 105 PHE H H 1 7.823 0.003 . 1 . . . . 105 F H . 19267 1 580 . 1 1 105 105 PHE HA H 1 4.806 0.000 . 1 . . . . 105 F HA . 19267 1 581 . 1 1 105 105 PHE C C 13 176.919 0.016 . 1 . . . . 105 F C . 19267 1 582 . 1 1 105 105 PHE CA C 13 57.421 0.103 . 1 . . . . 105 F CA . 19267 1 583 . 1 1 105 105 PHE CB C 13 38.414 0.053 . 1 . . . . 105 F CB . 19267 1 584 . 1 1 105 105 PHE N N 15 116.551 0.062 . 1 . . . . 105 F N . 19267 1 585 . 1 1 106 106 GLY H H 1 8.138 0.002 . 1 . . . . 106 G H . 19267 1 586 . 1 1 106 106 GLY C C 13 175.402 0.000 . 1 . . . . 106 G C . 19267 1 587 . 1 1 106 106 GLY CA C 13 46.133 0.089 . 1 . . . . 106 G CA . 19267 1 588 . 1 1 106 106 GLY N N 15 108.247 0.066 . 1 . . . . 106 G N . 19267 1 589 . 1 1 107 107 GLY H H 1 8.136 0.001 . 1 . . . . 107 G H . 19267 1 590 . 1 1 107 107 GLY C C 13 175.359 0.020 . 1 . . . . 107 G C . 19267 1 591 . 1 1 107 107 GLY CA C 13 45.330 0.062 . 1 . . . . 107 G CA . 19267 1 592 . 1 1 107 107 GLY N N 15 108.119 0.074 . 1 . . . . 107 G N . 19267 1 593 . 1 1 108 108 ALA H H 1 8.040 0.003 . 1 . . . . 108 A H . 19267 1 594 . 1 1 108 108 ALA HA H 1 4.228 0.000 . 1 . . . . 108 A HA . 19267 1 595 . 1 1 108 108 ALA C C 13 179.416 0.008 . 1 . . . . 108 A C . 19267 1 596 . 1 1 108 108 ALA CA C 13 54.281 0.219 . 1 . . . . 108 A CA . 19267 1 597 . 1 1 108 108 ALA CB C 13 19.002 0.061 . 1 . . . . 108 A CB . 19267 1 598 . 1 1 108 108 ALA N N 15 123.390 0.080 . 1 . . . . 108 A N . 19267 1 599 . 1 1 109 109 VAL H H 1 8.065 0.004 . 1 . . . . 109 V H . 19267 1 600 . 1 1 109 109 VAL HA H 1 3.816 0.000 . 1 . . . . 109 V HA . 19267 1 601 . 1 1 109 109 VAL C C 13 177.312 0.005 . 1 . . . . 109 V C . 19267 1 602 . 1 1 109 109 VAL CA C 13 65.267 0.125 . 1 . . . . 109 V CA . 19267 1 603 . 1 1 109 109 VAL CB C 13 31.123 0.028 . 1 . . . . 109 V CB . 19267 1 604 . 1 1 109 109 VAL N N 15 117.005 0.089 . 1 . . . . 109 V N . 19267 1 605 . 1 1 110 110 THR H H 1 7.982 0.003 . 1 . . . . 110 T H . 19267 1 606 . 1 1 110 110 THR HA H 1 3.900 0.000 . 1 . . . . 110 T HA . 19267 1 607 . 1 1 110 110 THR C C 13 176.860 0.000 . 1 . . . . 110 T C . 19267 1 608 . 1 1 110 110 THR CA C 13 65.203 0.023 . 1 . . . . 110 T CA . 19267 1 609 . 1 1 110 110 THR CB C 13 68.447 0.067 . 1 . . . . 110 T CB . 19267 1 610 . 1 1 110 110 THR N N 15 112.387 0.085 . 1 . . . . 110 T N . 19267 1 611 . 1 1 111 111 GLY H H 1 8.171 0.003 . 1 . . . . 111 G H . 19267 1 612 . 1 1 111 111 GLY C C 13 176.139 0.006 . 1 . . . . 111 G C . 19267 1 613 . 1 1 111 111 GLY CA C 13 46.575 0.077 . 1 . . . . 111 G CA . 19267 1 614 . 1 1 111 111 GLY N N 15 108.209 0.082 . 1 . . . . 111 G N . 19267 1 615 . 1 1 112 112 ALA H H 1 7.726 0.003 . 1 . . . . 112 A H . 19267 1 616 . 1 1 112 112 ALA HA H 1 4.214 0.000 . 1 . . . . 112 A HA . 19267 1 617 . 1 1 112 112 ALA C C 13 179.869 0.010 . 1 . . . . 112 A C . 19267 1 618 . 1 1 112 112 ALA CA C 13 54.425 0.000 . 1 . . . . 112 A CA . 19267 1 619 . 1 1 112 112 ALA CB C 13 18.171 0.000 . 1 . . . . 112 A CB . 19267 1 620 . 1 1 112 112 ALA N N 15 124.406 0.078 . 1 . . . . 112 A N . 19267 1 621 . 1 1 113 113 LEU H H 1 8.056 0.004 . 1 . . . . 113 L H . 19267 1 622 . 1 1 113 113 LEU HA H 1 4.084 0.000 . 1 . . . . 113 L HA . 19267 1 623 . 1 1 113 113 LEU C C 13 178.394 0.012 . 1 . . . . 113 L C . 19267 1 624 . 1 1 113 113 LEU CA C 13 57.745 0.116 . 1 . . . . 113 L CA . 19267 1 625 . 1 1 113 113 LEU CB C 13 41.165 0.166 . 1 . . . . 113 L CB . 19267 1 626 . 1 1 113 113 LEU N N 15 118.657 0.104 . 1 . . . . 113 L N . 19267 1 627 . 1 1 114 114 VAL H H 1 8.136 0.002 . 1 . . . . 114 V H . 19267 1 628 . 1 1 114 114 VAL HA H 1 3.660 0.000 . 1 . . . . 114 V HA . 19267 1 629 . 1 1 114 114 VAL C C 13 178.851 0.008 . 1 . . . . 114 V C . 19267 1 630 . 1 1 114 114 VAL CA C 13 65.700 0.000 . 1 . . . . 114 V CA . 19267 1 631 . 1 1 114 114 VAL CB C 13 31.162 0.000 . 1 . . . . 114 V CB . 19267 1 632 . 1 1 114 114 VAL N N 15 117.355 0.103 . 1 . . . . 114 V N . 19267 1 633 . 1 1 115 115 SER H H 1 7.988 0.001 . 1 . . . . 115 S H . 19267 1 634 . 1 1 115 115 SER HA H 1 4.206 0.000 . 1 . . . . 115 S HA . 19267 1 635 . 1 1 115 115 SER C C 13 176.454 0.017 . 1 . . . . 115 S C . 19267 1 636 . 1 1 115 115 SER CA C 13 61.067 0.007 . 1 . . . . 115 S CA . 19267 1 637 . 1 1 115 115 SER CB C 13 62.982 0.009 . 1 . . . . 115 S CB . 19267 1 638 . 1 1 115 115 SER N N 15 115.568 0.100 . 1 . . . . 115 S N . 19267 1 639 . 1 1 116 116 ALA H H 1 8.066 0.002 . 1 . . . . 116 A H . 19267 1 640 . 1 1 116 116 ALA HA H 1 4.223 0.000 . 1 . . . . 116 A HA . 19267 1 641 . 1 1 116 116 ALA C C 13 179.543 0.000 . 1 . . . . 116 A C . 19267 1 642 . 1 1 116 116 ALA CA C 13 54.311 0.121 . 1 . . . . 116 A CA . 19267 1 643 . 1 1 116 116 ALA CB C 13 17.942 0.086 . 1 . . . . 116 A CB . 19267 1 644 . 1 1 116 116 ALA N N 15 123.715 0.090 . 1 . . . . 116 A N . 19267 1 645 . 1 1 117 117 ALA H H 1 8.175 0.004 . 1 . . . . 117 A H . 19267 1 646 . 1 1 117 117 ALA HA H 1 4.154 0.000 . 1 . . . . 117 A HA . 19267 1 647 . 1 1 117 117 ALA C C 13 178.726 0.008 . 1 . . . . 117 A C . 19267 1 648 . 1 1 117 117 ALA CA C 13 53.949 0.087 . 1 . . . . 117 A CA . 19267 1 649 . 1 1 117 117 ALA CB C 13 18.221 0.076 . 1 . . . . 117 A CB . 19267 1 650 . 1 1 117 117 ALA N N 15 119.479 0.085 . 1 . . . . 117 A N . 19267 1 651 . 1 1 118 118 SER H H 1 7.984 0.003 . 1 . . . . 118 S H . 19267 1 652 . 1 1 118 118 SER HA H 1 4.322 0.000 . 1 . . . . 118 S HA . 19267 1 653 . 1 1 118 118 SER C C 13 175.423 0.003 . 1 . . . . 118 S C . 19267 1 654 . 1 1 118 118 SER CA C 13 59.740 0.129 . 1 . . . . 118 S CA . 19267 1 655 . 1 1 118 118 SER CB C 13 63.602 0.012 . 1 . . . . 118 S CB . 19267 1 656 . 1 1 118 118 SER N N 15 111.825 0.068 . 1 . . . . 118 S N . 19267 1 657 . 1 1 119 119 ASN H H 1 7.978 0.004 . 1 . . . . 119 N H . 19267 1 658 . 1 1 119 119 ASN HA H 1 4.687 0.000 . 1 . . . . 119 N HA . 19267 1 659 . 1 1 119 119 ASN C C 13 175.395 0.016 . 1 . . . . 119 N C . 19267 1 660 . 1 1 119 119 ASN CA C 13 54.003 0.103 . 1 . . . . 119 N CA . 19267 1 661 . 1 1 119 119 ASN CB C 13 38.938 0.038 . 1 . . . . 119 N CB . 19267 1 662 . 1 1 119 119 ASN N N 15 118.862 0.077 . 1 . . . . 119 N N . 19267 1 663 . 1 1 120 120 ASN H H 1 8.029 0.004 . 1 . . . . 120 N H . 19267 1 664 . 1 1 120 120 ASN HA H 1 4.737 0.000 . 1 . . . . 120 N HA . 19267 1 665 . 1 1 120 120 ASN C C 13 175.066 0.005 . 1 . . . . 120 N C . 19267 1 666 . 1 1 120 120 ASN CA C 13 53.863 0.076 . 1 . . . . 120 N CA . 19267 1 667 . 1 1 120 120 ASN CB C 13 39.117 0.102 . 1 . . . . 120 N CB . 19267 1 668 . 1 1 120 120 ASN N N 15 117.709 0.068 . 1 . . . . 120 N N . 19267 1 669 . 1 1 121 121 LYS H H 1 8.015 0.003 . 1 . . . . 121 K H . 19267 1 670 . 1 1 121 121 LYS HA H 1 4.275 0.000 . 1 . . . . 121 K HA . 19267 1 671 . 1 1 121 121 LYS C C 13 176.848 0.008 . 1 . . . . 121 K C . 19267 1 672 . 1 1 121 121 LYS CA C 13 56.781 0.126 . 1 . . . . 121 K CA . 19267 1 673 . 1 1 121 121 LYS CB C 13 32.210 0.052 . 1 . . . . 121 K CB . 19267 1 674 . 1 1 121 121 LYS N N 15 120.076 0.074 . 1 . . . . 121 K N . 19267 1 675 . 1 1 122 122 LYS H H 1 8.124 0.003 . 1 . . . . 122 K H . 19267 1 676 . 1 1 122 122 LYS HA H 1 4.239 0.000 . 1 . . . . 122 K HA . 19267 1 677 . 1 1 122 122 LYS C C 13 176.372 0.004 . 1 . . . . 122 K C . 19267 1 678 . 1 1 122 122 LYS CA C 13 56.698 0.161 . 1 . . . . 122 K CA . 19267 1 679 . 1 1 122 122 LYS CB C 13 32.141 0.079 . 1 . . . . 122 K CB . 19267 1 680 . 1 1 122 122 LYS N N 15 120.336 0.063 . 1 . . . . 122 K N . 19267 1 681 . 1 1 123 123 ASP H H 1 8.090 0.002 . 1 . . . . 123 D H . 19267 1 682 . 1 1 123 123 ASP C C 13 176.119 0.008 . 1 . . . . 123 D C . 19267 1 683 . 1 1 123 123 ASP CA C 13 54.649 0.103 . 1 . . . . 123 D CA . 19267 1 684 . 1 1 123 123 ASP CB C 13 40.642 0.264 . 1 . . . . 123 D CB . 19267 1 685 . 1 1 123 123 ASP N N 15 119.167 0.037 . 1 . . . . 123 D N . 19267 1 686 . 1 1 124 124 LYS H H 1 7.958 0.003 . 1 . . . . 124 K H . 19267 1 687 . 1 1 124 124 LYS HA H 1 4.314 0.000 . 1 . . . . 124 K HA . 19267 1 688 . 1 1 124 124 LYS C C 13 176.438 0.005 . 1 . . . . 124 K C . 19267 1 689 . 1 1 124 124 LYS CA C 13 56.254 0.164 . 1 . . . . 124 K CA . 19267 1 690 . 1 1 124 124 LYS CB C 13 32.687 0.056 . 1 . . . . 124 K CB . 19267 1 691 . 1 1 124 124 LYS N N 15 119.069 0.059 . 1 . . . . 124 K N . 19267 1 692 . 1 1 125 125 ILE H H 1 7.757 0.006 . 1 . . . . 125 I H . 19267 1 693 . 1 1 125 125 ILE HA H 1 4.114 0.000 . 1 . . . . 125 I HA . 19267 1 694 . 1 1 125 125 ILE C C 13 175.262 0.014 . 1 . . . . 125 I C . 19267 1 695 . 1 1 125 125 ILE CA C 13 61.018 0.118 . 1 . . . . 125 I CA . 19267 1 696 . 1 1 125 125 ILE CB C 13 38.170 0.141 . 1 . . . . 125 I CB . 19267 1 697 . 1 1 125 125 ILE N N 15 119.309 0.049 . 1 . . . . 125 I N . 19267 1 698 . 1 1 126 126 ALA H H 1 8.032 0.004 . 1 . . . . 126 A H . 19267 1 699 . 1 1 126 126 ALA HA H 1 4.523 0.000 . 1 . . . . 126 A HA . 19267 1 700 . 1 1 126 126 ALA C C 13 177.628 0.003 . 1 . . . . 126 A C . 19267 1 701 . 1 1 126 126 ALA CA C 13 51.698 0.094 . 1 . . . . 126 A CA . 19267 1 702 . 1 1 126 126 ALA CB C 13 18.780 0.027 . 1 . . . . 126 A CB . 19267 1 703 . 1 1 126 126 ALA N N 15 127.249 0.091 . 1 . . . . 126 A N . 19267 1 704 . 1 1 127 127 VAL H H 1 8.061 0.002 . 1 . . . . 127 V H . 19267 1 705 . 1 1 127 127 VAL HA H 1 3.869 0.000 . 1 . . . . 127 V HA . 19267 1 706 . 1 1 127 127 VAL C C 13 176.783 0.004 . 1 . . . . 127 V C . 19267 1 707 . 1 1 127 127 VAL CA C 13 64.111 0.174 . 1 . . . . 127 V CA . 19267 1 708 . 1 1 127 127 VAL CB C 13 31.654 0.169 . 1 . . . . 127 V CB . 19267 1 709 . 1 1 127 127 VAL N N 15 119.369 0.075 . 1 . . . . 127 V N . 19267 1 710 . 1 1 128 128 ASP H H 1 8.363 0.002 . 1 . . . . 128 D H . 19267 1 711 . 1 1 128 128 ASP HA H 1 4.470 0.000 . 1 . . . . 128 D HA . 19267 1 712 . 1 1 128 128 ASP C C 13 177.177 0.004 . 1 . . . . 128 D C . 19267 1 713 . 1 1 128 128 ASP CA C 13 55.406 0.093 . 1 . . . . 128 D CA . 19267 1 714 . 1 1 128 128 ASP CB C 13 40.099 0.018 . 1 . . . . 128 D CB . 19267 1 715 . 1 1 128 128 ASP N N 15 119.957 0.065 . 1 . . . . 128 D N . 19267 1 716 . 1 1 129 129 ALA H H 1 7.758 0.003 . 1 . . . . 129 A H . 19267 1 717 . 1 1 129 129 ALA HA H 1 4.282 0.000 . 1 . . . . 129 A HA . 19267 1 718 . 1 1 129 129 ALA C C 13 178.685 0.000 . 1 . . . . 129 A C . 19267 1 719 . 1 1 129 129 ALA CA C 13 53.331 0.094 . 1 . . . . 129 A CA . 19267 1 720 . 1 1 129 129 ALA CB C 13 18.832 0.043 . 1 . . . . 129 A CB . 19267 1 721 . 1 1 129 129 ALA N N 15 121.811 0.069 . 1 . . . . 129 A N . 19267 1 722 . 1 1 130 130 ILE H H 1 7.760 0.003 . 1 . . . . 130 I H . 19267 1 723 . 1 1 130 130 ILE HA H 1 4.069 0.000 . 1 . . . . 130 I HA . 19267 1 724 . 1 1 130 130 ILE C C 13 176.685 0.010 . 1 . . . . 130 I C . 19267 1 725 . 1 1 130 130 ILE CA C 13 62.425 0.175 . 1 . . . . 130 I CA . 19267 1 726 . 1 1 130 130 ILE CB C 13 37.580 0.188 . 1 . . . . 130 I CB . 19267 1 727 . 1 1 130 130 ILE N N 15 117.651 0.060 . 1 . . . . 130 I N . 19267 1 728 . 1 1 131 131 THR H H 1 8.111 0.004 . 1 . . . . 131 T H . 19267 1 729 . 1 1 131 131 THR HA H 1 4.186 0.000 . 1 . . . . 131 T HA . 19267 1 730 . 1 1 131 131 THR C C 13 176.363 0.007 . 1 . . . . 131 T C . 19267 1 731 . 1 1 131 131 THR CA C 13 63.598 0.124 . 1 . . . . 131 T CA . 19267 1 732 . 1 1 131 131 THR CB C 13 69.522 0.126 . 1 . . . . 131 T CB . 19267 1 733 . 1 1 131 131 THR N N 15 113.944 0.068 . 1 . . . . 131 T N . 19267 1 734 . 1 1 132 132 GLY H H 1 8.234 0.002 . 1 . . . . 132 G H . 19267 1 735 . 1 1 132 132 GLY C C 13 175.751 0.007 . 1 . . . . 132 G C . 19267 1 736 . 1 1 132 132 GLY CA C 13 46.375 0.083 . 1 . . . . 132 G CA . 19267 1 737 . 1 1 132 132 GLY N N 15 108.909 0.082 . 1 . . . . 132 G N . 19267 1 738 . 1 1 133 133 ALA H H 1 7.899 0.002 . 1 . . . . 133 A H . 19267 1 739 . 1 1 133 133 ALA HA H 1 4.268 0.005 . 1 . . . . 133 A HA . 19267 1 740 . 1 1 133 133 ALA C C 13 179.747 0.012 . 1 . . . . 133 A C . 19267 1 741 . 1 1 133 133 ALA CA C 13 54.270 0.143 . 1 . . . . 133 A CA . 19267 1 742 . 1 1 133 133 ALA CB C 13 18.329 0.049 . 1 . . . . 133 A CB . 19267 1 743 . 1 1 133 133 ALA N N 15 123.963 0.073 . 1 . . . . 133 A N . 19267 1 744 . 1 1 134 134 ALA H H 1 8.341 0.002 . 1 . . . . 134 A H . 19267 1 745 . 1 1 134 134 ALA HA H 1 4.123 0.000 . 1 . . . . 134 A HA . 19267 1 746 . 1 1 134 134 ALA C C 13 179.087 0.004 . 1 . . . . 134 A C . 19267 1 747 . 1 1 134 134 ALA CA C 13 55.060 0.168 . 1 . . . . 134 A CA . 19267 1 748 . 1 1 134 134 ALA CB C 13 18.118 0.000 . 1 . . . . 134 A CB . 19267 1 749 . 1 1 134 134 ALA N N 15 121.913 0.073 . 1 . . . . 134 A N . 19267 1 750 . 1 1 135 135 ILE H H 1 7.918 0.003 . 1 . . . . 135 I H . 19267 1 751 . 1 1 135 135 ILE HA H 1 3.707 0.000 . 1 . . . . 135 I HA . 19267 1 752 . 1 1 135 135 ILE C C 13 177.296 0.005 . 1 . . . . 135 I C . 19267 1 753 . 1 1 135 135 ILE CA C 13 64.224 0.104 . 1 . . . . 135 I CA . 19267 1 754 . 1 1 135 135 ILE CB C 13 37.099 0.184 . 1 . . . . 135 I CB . 19267 1 755 . 1 1 135 135 ILE N N 15 117.006 0.090 . 1 . . . . 135 I N . 19267 1 756 . 1 1 136 136 ALA H H 1 7.852 0.003 . 1 . . . . 136 A H . 19267 1 757 . 1 1 136 136 ALA HA H 1 4.183 0.000 . 1 . . . . 136 A HA . 19267 1 758 . 1 1 136 136 ALA C C 13 180.728 0.006 . 1 . . . . 136 A C . 19267 1 759 . 1 1 136 136 ALA CA C 13 54.720 0.123 . 1 . . . . 136 A CA . 19267 1 760 . 1 1 136 136 ALA CB C 13 17.831 0.036 . 1 . . . . 136 A CB . 19267 1 761 . 1 1 136 136 ALA N N 15 121.078 0.088 . 1 . . . . 136 A N . 19267 1 762 . 1 1 137 137 THR H H 1 8.003 0.003 . 1 . . . . 137 T H . 19267 1 763 . 1 1 137 137 THR HA H 1 4.424 0.000 . 1 . . . . 137 T HA . 19267 1 764 . 1 1 137 137 THR C C 13 176.171 0.004 . 1 . . . . 137 T C . 19267 1 765 . 1 1 137 137 THR CA C 13 66.068 0.193 . 1 . . . . 137 T CA . 19267 1 766 . 1 1 137 137 THR CB C 13 68.618 0.097 . 1 . . . . 137 T CB . 19267 1 767 . 1 1 137 137 THR N N 15 115.379 0.061 . 1 . . . . 137 T N . 19267 1 768 . 1 1 138 138 ALA H H 1 8.348 0.003 . 1 . . . . 138 A H . 19267 1 769 . 1 1 138 138 ALA HA H 1 4.076 0.000 . 1 . . . . 138 A HA . 19267 1 770 . 1 1 138 138 ALA C C 13 178.764 0.015 . 1 . . . . 138 A C . 19267 1 771 . 1 1 138 138 ALA CA C 13 55.221 0.119 . 1 . . . . 138 A CA . 19267 1 772 . 1 1 138 138 ALA CB C 13 17.887 0.076 . 1 . . . . 138 A CB . 19267 1 773 . 1 1 138 138 ALA N N 15 123.971 0.091 . 1 . . . . 138 A N . 19267 1 774 . 1 1 139 139 ALA H H 1 8.489 0.004 . 1 . . . . 139 A H . 19267 1 775 . 1 1 139 139 ALA HA H 1 4.028 0.000 . 1 . . . . 139 A HA . 19267 1 776 . 1 1 139 139 ALA C C 13 179.932 0.016 . 1 . . . . 139 A C . 19267 1 777 . 1 1 139 139 ALA CA C 13 55.073 0.125 . 1 . . . . 139 A CA . 19267 1 778 . 1 1 139 139 ALA CB C 13 17.752 0.086 . 1 . . . . 139 A CB . 19267 1 779 . 1 1 139 139 ALA N N 15 118.517 0.083 . 1 . . . . 139 A N . 19267 1 780 . 1 1 140 140 GLU H H 1 7.810 0.003 . 1 . . . . 140 E H . 19267 1 781 . 1 1 140 140 GLU HA H 1 4.121 0.000 . 1 . . . . 140 E HA . 19267 1 782 . 1 1 140 140 GLU C C 13 178.833 0.001 . 1 . . . . 140 E C . 19267 1 783 . 1 1 140 140 GLU CA C 13 58.557 0.126 . 1 . . . . 140 E CA . 19267 1 784 . 1 1 140 140 GLU CB C 13 28.785 0.074 . 1 . . . . 140 E CB . 19267 1 785 . 1 1 140 140 GLU N N 15 117.457 0.073 . 1 . . . . 140 E N . 19267 1 786 . 1 1 141 141 PHE H H 1 8.088 0.004 . 1 . . . . 141 F H . 19267 1 787 . 1 1 141 141 PHE C C 13 177.500 0.001 . 1 . . . . 141 F C . 19267 1 788 . 1 1 141 141 PHE CA C 13 60.597 0.129 . 1 . . . . 141 F CA . 19267 1 789 . 1 1 141 141 PHE CB C 13 39.117 0.067 . 1 . . . . 141 F CB . 19267 1 790 . 1 1 141 141 PHE N N 15 119.776 0.072 . 1 . . . . 141 F N . 19267 1 791 . 1 1 142 142 ILE H H 1 8.372 0.004 . 1 . . . . 142 I H . 19267 1 792 . 1 1 142 142 ILE HA H 1 3.748 0.000 . 1 . . . . 142 I HA . 19267 1 793 . 1 1 142 142 ILE C C 13 177.996 0.004 . 1 . . . . 142 I C . 19267 1 794 . 1 1 142 142 ILE CA C 13 63.986 0.142 . 1 . . . . 142 I CA . 19267 1 795 . 1 1 142 142 ILE CB C 13 37.097 0.122 . 1 . . . . 142 I CB . 19267 1 796 . 1 1 142 142 ILE N N 15 118.321 0.073 . 1 . . . . 142 I N . 19267 1 797 . 1 1 143 143 ASN H H 1 8.078 0.004 . 1 . . . . 143 N H . 19267 1 798 . 1 1 143 143 ASN HA H 1 4.442 0.000 . 1 . . . . 143 N HA . 19267 1 799 . 1 1 143 143 ASN C C 13 176.762 0.011 . 1 . . . . 143 N C . 19267 1 800 . 1 1 143 143 ASN CA C 13 55.960 0.123 . 1 . . . . 143 N CA . 19267 1 801 . 1 1 143 143 ASN CB C 13 38.631 0.044 . 1 . . . . 143 N CB . 19267 1 802 . 1 1 143 143 ASN N N 15 118.621 0.075 . 1 . . . . 143 N N . 19267 1 803 . 1 1 144 144 TYR H H 1 7.921 0.005 . 1 . . . . 144 Y H . 19267 1 804 . 1 1 144 144 TYR HA H 1 4.309 0.000 . 1 . . . . 144 Y HA . 19267 1 805 . 1 1 144 144 TYR C C 13 177.029 0.006 . 1 . . . . 144 Y C . 19267 1 806 . 1 1 144 144 TYR CA C 13 60.132 0.160 . 1 . . . . 144 Y CA . 19267 1 807 . 1 1 144 144 TYR N N 15 119.156 0.091 . 1 . . . . 144 Y N . 19267 1 808 . 1 1 145 145 LEU H H 1 7.920 0.002 . 1 . . . . 145 L H . 19267 1 809 . 1 1 145 145 LEU C C 13 177.986 0.001 . 1 . . . . 145 L C . 19267 1 810 . 1 1 145 145 LEU CA C 13 56.394 0.169 . 1 . . . . 145 L CA . 19267 1 811 . 1 1 145 145 LEU CB C 13 41.806 0.102 . 1 . . . . 145 L CB . 19267 1 812 . 1 1 145 145 LEU N N 15 119.026 0.031 . 1 . . . . 145 L N . 19267 1 813 . 1 1 146 146 THR H H 1 8.000 0.002 . 1 . . . . 146 T H . 19267 1 814 . 1 1 146 146 THR HA H 1 4.217 0.000 . 1 . . . . 146 T HA . 19267 1 815 . 1 1 146 146 THR C C 13 175.371 0.028 . 1 . . . . 146 T C . 19267 1 816 . 1 1 146 146 THR CA C 13 62.908 0.141 . 1 . . . . 146 T CA . 19267 1 817 . 1 1 146 146 THR CB C 13 69.427 0.091 . 1 . . . . 146 T CB . 19267 1 818 . 1 1 146 146 THR N N 15 110.955 0.064 . 1 . . . . 146 T N . 19267 1 819 . 1 1 147 147 LEU H H 1 7.779 0.002 . 1 . . . . 147 L H . 19267 1 820 . 1 1 147 147 LEU HA H 1 4.227 0.000 . 1 . . . . 147 L HA . 19267 1 821 . 1 1 147 147 LEU C C 13 178.044 0.008 . 1 . . . . 147 L C . 19267 1 822 . 1 1 147 147 LEU CA C 13 55.986 0.159 . 1 . . . . 147 L CA . 19267 1 823 . 1 1 147 147 LEU CB C 13 41.413 0.106 . 1 . . . . 147 L CB . 19267 1 824 . 1 1 147 147 LEU N N 15 122.582 0.071 . 1 . . . . 147 L N . 19267 1 825 . 1 1 148 148 GLU H H 1 8.014 0.002 . 1 . . . . 148 E H . 19267 1 826 . 1 1 148 148 GLU HA H 1 4.132 0.000 . 1 . . . . 148 E HA . 19267 1 827 . 1 1 148 148 GLU C C 13 176.655 0.001 . 1 . . . . 148 E C . 19267 1 828 . 1 1 148 148 GLU CA C 13 56.595 0.134 . 1 . . . . 148 E CA . 19267 1 829 . 1 1 148 148 GLU CB C 13 29.508 0.124 . 1 . . . . 148 E CB . 19267 1 830 . 1 1 148 148 GLU N N 15 118.131 0.072 . 1 . . . . 148 E N . 19267 1 831 . 1 1 149 149 HIS H H 1 7.979 0.002 . 1 . . . . 149 H H . 19267 1 832 . 1 1 149 149 HIS C C 13 174.438 0.006 . 1 . . . . 149 H C . 19267 1 833 . 1 1 149 149 HIS CA C 13 55.807 0.081 . 1 . . . . 149 H CA . 19267 1 834 . 1 1 149 149 HIS CB C 13 28.751 0.043 . 1 . . . . 149 H CB . 19267 1 835 . 1 1 149 149 HIS N N 15 116.902 0.013 . 1 . . . . 149 H N . 19267 1 836 . 1 1 150 150 HIS H H 1 8.094 0.004 . 1 . . . . 150 H H . 19267 1 837 . 1 1 150 150 HIS HA H 1 4.275 0.000 . 1 . . . . 150 H HA . 19267 1 838 . 1 1 150 150 HIS C C 13 174.482 0.003 . 1 . . . . 150 H C . 19267 1 839 . 1 1 150 150 HIS CA C 13 55.753 0.070 . 1 . . . . 150 H CA . 19267 1 840 . 1 1 150 150 HIS CB C 13 29.025 0.088 . 1 . . . . 150 H CB . 19267 1 841 . 1 1 150 150 HIS N N 15 117.832 0.065 . 1 . . . . 150 H N . 19267 1 842 . 1 1 151 151 HIS H H 1 8.262 0.002 . 1 . . . . 151 H H . 19267 1 843 . 1 1 151 151 HIS HA H 1 4.645 0.000 . 1 . . . . 151 H HA . 19267 1 844 . 1 1 151 151 HIS C C 13 174.379 0.016 . 1 . . . . 151 H C . 19267 1 845 . 1 1 151 151 HIS CA C 13 55.741 0.058 . 1 . . . . 151 H CA . 19267 1 846 . 1 1 151 151 HIS CB C 13 29.063 0.048 . 1 . . . . 151 H CB . 19267 1 847 . 1 1 151 151 HIS N N 15 118.361 0.060 . 1 . . . . 151 H N . 19267 1 848 . 1 1 152 152 HIS H H 1 8.233 0.003 . 1 . . . . 152 H H . 19267 1 849 . 1 1 152 152 HIS HA H 1 4.647 0.000 . 1 . . . . 152 H HA . 19267 1 850 . 1 1 152 152 HIS C C 13 174.144 0.002 . 1 . . . . 152 H C . 19267 1 851 . 1 1 152 152 HIS CA C 13 55.576 0.000 . 1 . . . . 152 H CA . 19267 1 852 . 1 1 152 152 HIS CB C 13 29.112 0.000 . 1 . . . . 152 H CB . 19267 1 853 . 1 1 152 152 HIS N N 15 118.522 0.075 . 1 . . . . 152 H N . 19267 1 854 . 1 1 153 153 HIS H H 1 8.247 0.004 . 1 . . . . 153 H H . 19267 1 855 . 1 1 153 153 HIS C C 13 173.669 0.011 . 1 . . . . 153 H C . 19267 1 856 . 1 1 153 153 HIS CA C 13 55.633 0.062 . 1 . . . . 153 H CA . 19267 1 857 . 1 1 153 153 HIS CB C 13 29.249 0.000 . 1 . . . . 153 H CB . 19267 1 858 . 1 1 153 153 HIS N N 15 119.146 0.138 . 1 . . . . 153 H N . 19267 1 859 . 1 1 154 154 HIS H H 1 8.074 0.001 . 1 . . . . 154 H H . 19267 1 860 . 1 1 154 154 HIS HA H 1 4.436 0.000 . 1 . . . . 154 H HA . 19267 1 861 . 1 1 154 154 HIS C C 13 178.912 0.000 . 1 . . . . 154 H C . 19267 1 862 . 1 1 154 154 HIS CA C 13 56.895 0.000 . 1 . . . . 154 H CA . 19267 1 863 . 1 1 154 154 HIS CB C 13 29.461 0.000 . 1 . . . . 154 H CB . 19267 1 864 . 1 1 154 154 HIS N N 15 124.446 0.063 . 1 . . . . 154 H N . 19267 1 stop_ save_