data_18855 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18855 _Entry.Title ; Backbone assignments of 8M urea denatured YibK from Haemophilus influenzae (HI0766) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-24 _Entry.Accession_date 2012-11-24 _Entry.Last_release_date 2012-11-26 _Entry.Original_release_date 2012-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Characterisation of knotted proteins in chemically denatured states' _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.ORCID _Entry_author.Entry_ID 1 'Shu-Ju Micky' Hsieh . . . . 18855 2 'Shang-Te Danny' Hsu . . . . 18855 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18855 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 18855 '15N chemical shifts' 146 18855 '1H chemical shifts' 146 18855 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-08-27 2012-11-24 update BMRB 'update entry citation' 18855 1 . . 2014-02-14 2012-11-24 original author 'original release' 18855 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1MXI . 18855 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18855 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23853076 _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C and 15N assignments of YibK and avariant containing a unique cysteine residue at C-terminus in 8 M urea-denatured states ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 2 _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 439 _Citation.Page_last 442 _Citation.Year 2014 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Shu-Ju Micky' Hsieh . . . . 18855 1 2 Anna Mallam . L. . . 18855 1 3 Sophie Jackson . E. . . 18855 1 4 'Shang-Te Danny' Hsu . . . . 18855 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 18855 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20393125 _Citation.Full_citation . _Citation.Title ; Experimental detection of knotted conformations in denatured proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 107 _Citation.Journal_issue 18 _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 8189 _Citation.Page_last 8194 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 AL Mallam . . . . 18855 2 2 JM Rogers . . . . 18855 2 3 SE Jackson . . . . 18855 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18855 _Assembly.ID 1 _Assembly.Name YibK _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 YibK 1 $YibK A . yes denatured no no . . . 18855 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YibK _Entity.Sf_category entity _Entity.Sf_framecode YibK _Entity.Entry_ID 18855 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YibK _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 ; MLDIVLYEPEIPQNTGNIIR LCANTGFRLHLIEPLGFTWD DKRLRRSGLDYHEFAEIKRH KTFEAFLESEKPKRLFALTT KGCPAHSQVKFKLGDYLMFG PETRGIPMSILNEMPMEQKI RIPMTANSRSMNLSNSVAVT VYEAWRQLGYKGAVNLPEVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation no _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 . 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 . 18855 1 2 2 LEU . 18855 1 3 3 ASP . 18855 1 4 4 ILE . 18855 1 5 5 VAL . 18855 1 6 6 LEU . 18855 1 7 7 TYR . 18855 1 8 8 GLU . 18855 1 9 9 PRO . 18855 1 10 10 GLU . 18855 1 11 11 ILE . 18855 1 12 12 PRO . 18855 1 13 13 GLN . 18855 1 14 14 ASN . 18855 1 15 15 THR . 18855 1 16 16 GLY . 18855 1 17 17 ASN . 18855 1 18 18 ILE . 18855 1 19 19 ILE . 18855 1 20 20 ARG . 18855 1 21 21 LEU . 18855 1 22 22 CYS . 18855 1 23 23 ALA . 18855 1 24 24 ASN . 18855 1 25 25 THR . 18855 1 26 26 GLY . 18855 1 27 27 PHE . 18855 1 28 28 ARG . 18855 1 29 29 LEU . 18855 1 30 30 HIS . 18855 1 31 31 LEU . 18855 1 32 32 ILE . 18855 1 33 33 GLU . 18855 1 34 34 PRO . 18855 1 35 35 LEU . 18855 1 36 36 GLY . 18855 1 37 37 PHE . 18855 1 38 38 THR . 18855 1 39 39 TRP . 18855 1 40 40 ASP . 18855 1 41 41 ASP . 18855 1 42 42 LYS . 18855 1 43 43 ARG . 18855 1 44 44 LEU . 18855 1 45 45 ARG . 18855 1 46 46 ARG . 18855 1 47 47 SER . 18855 1 48 48 GLY . 18855 1 49 49 LEU . 18855 1 50 50 ASP . 18855 1 51 51 TYR . 18855 1 52 52 HIS . 18855 1 53 53 GLU . 18855 1 54 54 PHE . 18855 1 55 55 ALA . 18855 1 56 56 GLU . 18855 1 57 57 ILE . 18855 1 58 58 LYS . 18855 1 59 59 ARG . 18855 1 60 60 HIS . 18855 1 61 61 LYS . 18855 1 62 62 THR . 18855 1 63 63 PHE . 18855 1 64 64 GLU . 18855 1 65 65 ALA . 18855 1 66 66 PHE . 18855 1 67 67 LEU . 18855 1 68 68 GLU . 18855 1 69 69 SER . 18855 1 70 70 GLU . 18855 1 71 71 LYS . 18855 1 72 72 PRO . 18855 1 73 73 LYS . 18855 1 74 74 ARG . 18855 1 75 75 LEU . 18855 1 76 76 PHE . 18855 1 77 77 ALA . 18855 1 78 78 LEU . 18855 1 79 79 THR . 18855 1 80 80 THR . 18855 1 81 81 LYS . 18855 1 82 82 GLY . 18855 1 83 83 CYS . 18855 1 84 84 PRO . 18855 1 85 85 ALA . 18855 1 86 86 HIS . 18855 1 87 87 SER . 18855 1 88 88 GLN . 18855 1 89 89 VAL . 18855 1 90 90 LYS . 18855 1 91 91 PHE . 18855 1 92 92 LYS . 18855 1 93 93 LEU . 18855 1 94 94 GLY . 18855 1 95 95 ASP . 18855 1 96 96 TYR . 18855 1 97 97 LEU . 18855 1 98 98 MET . 18855 1 99 99 PHE . 18855 1 100 100 GLY . 18855 1 101 101 PRO . 18855 1 102 102 GLU . 18855 1 103 103 THR . 18855 1 104 104 ARG . 18855 1 105 105 GLY . 18855 1 106 106 ILE . 18855 1 107 107 PRO . 18855 1 108 108 MET . 18855 1 109 109 SER . 18855 1 110 110 ILE . 18855 1 111 111 LEU . 18855 1 112 112 ASN . 18855 1 113 113 GLU . 18855 1 114 114 MET . 18855 1 115 115 PRO . 18855 1 116 116 MET . 18855 1 117 117 GLU . 18855 1 118 118 GLN . 18855 1 119 119 LYS . 18855 1 120 120 ILE . 18855 1 121 121 ARG . 18855 1 122 122 ILE . 18855 1 123 123 PRO . 18855 1 124 124 MET . 18855 1 125 125 THR . 18855 1 126 126 ALA . 18855 1 127 127 ASN . 18855 1 128 128 SER . 18855 1 129 129 ARG . 18855 1 130 130 SER . 18855 1 131 131 MET . 18855 1 132 132 ASN . 18855 1 133 133 LEU . 18855 1 134 134 SER . 18855 1 135 135 ASN . 18855 1 136 136 SER . 18855 1 137 137 VAL . 18855 1 138 138 ALA . 18855 1 139 139 VAL . 18855 1 140 140 THR . 18855 1 141 141 VAL . 18855 1 142 142 TYR . 18855 1 143 143 GLU . 18855 1 144 144 ALA . 18855 1 145 145 TRP . 18855 1 146 146 ARG . 18855 1 147 147 GLN . 18855 1 148 148 LEU . 18855 1 149 149 GLY . 18855 1 150 150 TYR . 18855 1 151 151 LYS . 18855 1 152 152 GLY . 18855 1 153 153 ALA . 18855 1 154 154 VAL . 18855 1 155 155 ASN . 18855 1 156 156 LEU . 18855 1 157 157 PRO . 18855 1 158 158 GLU . 18855 1 159 159 VAL . 18855 1 160 160 LYS . 18855 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 18855 1 . LEU 2 2 18855 1 . ASP 3 3 18855 1 . ILE 4 4 18855 1 . VAL 5 5 18855 1 . LEU 6 6 18855 1 . TYR 7 7 18855 1 . GLU 8 8 18855 1 . PRO 9 9 18855 1 . GLU 10 10 18855 1 . ILE 11 11 18855 1 . PRO 12 12 18855 1 . GLN 13 13 18855 1 . ASN 14 14 18855 1 . THR 15 15 18855 1 . GLY 16 16 18855 1 . ASN 17 17 18855 1 . ILE 18 18 18855 1 . ILE 19 19 18855 1 . ARG 20 20 18855 1 . LEU 21 21 18855 1 . CYS 22 22 18855 1 . ALA 23 23 18855 1 . ASN 24 24 18855 1 . THR 25 25 18855 1 . GLY 26 26 18855 1 . PHE 27 27 18855 1 . ARG 28 28 18855 1 . LEU 29 29 18855 1 . HIS 30 30 18855 1 . LEU 31 31 18855 1 . ILE 32 32 18855 1 . GLU 33 33 18855 1 . PRO 34 34 18855 1 . LEU 35 35 18855 1 . GLY 36 36 18855 1 . PHE 37 37 18855 1 . THR 38 38 18855 1 . TRP 39 39 18855 1 . ASP 40 40 18855 1 . ASP 41 41 18855 1 . LYS 42 42 18855 1 . ARG 43 43 18855 1 . LEU 44 44 18855 1 . ARG 45 45 18855 1 . ARG 46 46 18855 1 . SER 47 47 18855 1 . GLY 48 48 18855 1 . LEU 49 49 18855 1 . ASP 50 50 18855 1 . TYR 51 51 18855 1 . HIS 52 52 18855 1 . GLU 53 53 18855 1 . PHE 54 54 18855 1 . ALA 55 55 18855 1 . GLU 56 56 18855 1 . ILE 57 57 18855 1 . LYS 58 58 18855 1 . ARG 59 59 18855 1 . HIS 60 60 18855 1 . LYS 61 61 18855 1 . THR 62 62 18855 1 . PHE 63 63 18855 1 . GLU 64 64 18855 1 . ALA 65 65 18855 1 . PHE 66 66 18855 1 . LEU 67 67 18855 1 . GLU 68 68 18855 1 . SER 69 69 18855 1 . GLU 70 70 18855 1 . LYS 71 71 18855 1 . PRO 72 72 18855 1 . LYS 73 73 18855 1 . ARG 74 74 18855 1 . LEU 75 75 18855 1 . PHE 76 76 18855 1 . ALA 77 77 18855 1 . LEU 78 78 18855 1 . THR 79 79 18855 1 . THR 80 80 18855 1 . LYS 81 81 18855 1 . GLY 82 82 18855 1 . CYS 83 83 18855 1 . PRO 84 84 18855 1 . ALA 85 85 18855 1 . HIS 86 86 18855 1 . SER 87 87 18855 1 . GLN 88 88 18855 1 . VAL 89 89 18855 1 . LYS 90 90 18855 1 . PHE 91 91 18855 1 . LYS 92 92 18855 1 . LEU 93 93 18855 1 . GLY 94 94 18855 1 . ASP 95 95 18855 1 . TYR 96 96 18855 1 . LEU 97 97 18855 1 . MET 98 98 18855 1 . PHE 99 99 18855 1 . GLY 100 100 18855 1 . PRO 101 101 18855 1 . GLU 102 102 18855 1 . THR 103 103 18855 1 . ARG 104 104 18855 1 . GLY 105 105 18855 1 . ILE 106 106 18855 1 . PRO 107 107 18855 1 . MET 108 108 18855 1 . SER 109 109 18855 1 . ILE 110 110 18855 1 . LEU 111 111 18855 1 . ASN 112 112 18855 1 . GLU 113 113 18855 1 . MET 114 114 18855 1 . PRO 115 115 18855 1 . MET 116 116 18855 1 . GLU 117 117 18855 1 . GLN 118 118 18855 1 . LYS 119 119 18855 1 . ILE 120 120 18855 1 . ARG 121 121 18855 1 . ILE 122 122 18855 1 . PRO 123 123 18855 1 . MET 124 124 18855 1 . THR 125 125 18855 1 . ALA 126 126 18855 1 . ASN 127 127 18855 1 . SER 128 128 18855 1 . ARG 129 129 18855 1 . SER 130 130 18855 1 . MET 131 131 18855 1 . ASN 132 132 18855 1 . LEU 133 133 18855 1 . SER 134 134 18855 1 . ASN 135 135 18855 1 . SER 136 136 18855 1 . VAL 137 137 18855 1 . ALA 138 138 18855 1 . VAL 139 139 18855 1 . THR 140 140 18855 1 . VAL 141 141 18855 1 . TYR 142 142 18855 1 . GLU 143 143 18855 1 . ALA 144 144 18855 1 . TRP 145 145 18855 1 . ARG 146 146 18855 1 . GLN 147 147 18855 1 . LEU 148 148 18855 1 . GLY 149 149 18855 1 . TYR 150 150 18855 1 . LYS 151 151 18855 1 . GLY 152 152 18855 1 . ALA 153 153 18855 1 . VAL 154 154 18855 1 . ASN 155 155 18855 1 . LEU 156 156 18855 1 . PRO 157 157 18855 1 . GLU 158 158 18855 1 . VAL 159 159 18855 1 . LYS 160 160 18855 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 18855 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $YibK . 727 organism . 'Haemophilus influenzae' 'Haemophilus influenzae' . . Bacteria . Haemophilus influenzae . . . . . . . . . . . . . 18855 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 18855 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $YibK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'Pet 17b' . . . 18855 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_YibK_in_denatured_state _Sample.Sf_category sample _Sample.Sf_framecode YibK_in_denatured_state _Sample.Entry_ID 18855 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YibK '[U-13C; U-15N]' . . 1 $YibK . . 350 . . uM . . . . 18855 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18855 1 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 18855 1 4 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18855 1 5 glycerol 'natural abundance' . . . . . . 10 . . % . . . . 18855 1 6 urea 'natural abundance' . . . . . . 7.2 . . M . . . . 18855 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18855 1 stop_ save_ ####################### # Sample conditions # ####################### save_SEC-urea _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode SEC-urea _Sample_condition_list.Entry_ID 18855 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 7.5 . pH 18855 1 pressure 1 . atm 18855 1 temperature 278 . K 18855 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18855 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18855 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18855 1 . 'data analysis' 18855 1 . 'peak picking' 18855 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18855 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18855 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18855 2 . 'data analysis' 18855 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18855 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18855 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18855 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 18855 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18855 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18855 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 18855 _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 $YibK_in_denatured_state isotropic . . 1 $SEC-urea . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18855 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $YibK_in_denatured_state isotropic . . 1 $SEC-urea . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18855 1 3 '3D HNCO' no . . . . . . . . . . 1 $YibK_in_denatured_state isotropic . . 1 $SEC-urea . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18855 1 4 '3D HNCACB' no . . . . . . . . . . 1 $YibK_in_denatured_state isotropic . . 1 $SEC-urea . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18855 1 5 '3D HNCA' no . . . . . . . . . . 1 $YibK_in_denatured_state isotropic . . 1 $SEC-urea . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18855 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $YibK_in_denatured_state isotropic . . 1 $SEC-urea . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18855 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 18855 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 175.4 internal indirect 0.251449530 . . . . . 18855 1 H 1 water protons . . . . ppm 4.964 internal direct 1 . . . . . 18855 1 N 15 water protons . . . . ppm 118.773 internal indirect 0.101329118 . . . . . 18855 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_YibK_wt_in_denatured_state _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode YibK_wt_in_denatured_state _Assigned_chem_shift_list.Entry_ID 18855 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $SEC-urea _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' . . . 18855 1 2 '3D CBCA(CO)NH' . . . 18855 1 3 '3D HNCO' . . . 18855 1 4 '3D HNCACB' . . . 18855 1 5 '3D HNCA' . . . 18855 1 6 '3D C(CO)NH' . . . 18855 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.Ambiguity_set_ID _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 LEU C C 13 177.000 0.200 1 1 . . . . . 2 L C . 18855 1 2 . 1 1 2 2 LEU CB C 13 41.844 0.003 2 1 . . . . . 2 L CB . 18855 1 3 . 1 1 3 3 ASP H H 1 8.754 0.001 10 1 . . . . . 3 D HN . 18855 1 4 . 1 1 3 3 ASP C C 13 175.972 0.017 2 1 . . . . . 3 D C . 18855 1 5 . 1 1 3 3 ASP CA C 13 53.962 0.036 3 1 . . . . . 3 D CA . 18855 1 6 . 1 1 3 3 ASP CB C 13 40.678 0.050 2 1 . . . . . 3 D CB . 18855 1 7 . 1 1 3 3 ASP N N 15 122.084 0.026 12 1 . . . . . 3 D N . 18855 1 8 . 1 1 4 4 ILE H H 1 8.268 0.001 10 1 . . . . . 4 I HN . 18855 1 9 . 1 1 4 4 ILE C C 13 176.484 0.654 2 1 . . . . . 4 I C . 18855 1 10 . 1 1 4 4 ILE CA C 13 60.765 0.050 2 1 . . . . . 4 I CA . 18855 1 11 . 1 1 4 4 ILE CB C 13 38.166 0.025 2 1 . . . . . 4 I CB . 18855 1 12 . 1 1 4 4 ILE N N 15 121.037 0.023 12 1 . . . . . 4 I N . 18855 1 13 . 1 1 5 5 VAL H H 1 8.483 0.001 9 1 . . . . . 5 V HN . 18855 1 14 . 1 1 5 5 VAL C C 13 175.661 0.017 2 1 . . . . . 5 V C . 18855 1 15 . 1 1 5 5 VAL CA C 13 61.983 0.088 2 1 . . . . . 5 V CA . 18855 1 16 . 1 1 5 5 VAL CB C 13 31.948 0.015 3 1 . . . . . 5 V CB . 18855 1 17 . 1 1 5 5 VAL N N 15 125.899 0.020 11 1 . . . . . 5 V N . 18855 1 18 . 1 1 6 6 LEU H H 1 8.553 0.001 10 1 . . . . . 6 L HN . 18855 1 19 . 1 1 6 6 LEU C C 13 176.782 0.048 2 1 . . . . . 6 L C . 18855 1 20 . 1 1 6 6 LEU CA C 13 54.457 0.078 2 1 . . . . . 6 L CA . 18855 1 21 . 1 1 6 6 LEU CB C 13 41.594 0.076 2 1 . . . . . 6 L CB . 18855 1 22 . 1 1 6 6 LEU N N 15 126.923 0.039 12 1 . . . . . 6 L N . 18855 1 23 . 1 1 7 7 TYR H H 1 8.484 0.002 9 1 . . . . . 7 Y HN . 18855 1 24 . 1 1 7 7 TYR C C 13 176.079 0.013 2 1 . . . . . 7 Y C . 18855 1 25 . 1 1 7 7 TYR CA C 13 60.632 0.068 3 1 . . . . . 7 Y CA . 18855 1 26 . 1 1 7 7 TYR CB C 13 37.917 0.039 2 1 . . . . . 7 Y CB . 18855 1 27 . 1 1 7 7 TYR N N 15 122.472 0.085 10 1 . . . . . 7 Y N . 18855 1 28 . 1 1 8 8 GLU H H 1 8.742 0.001 9 1 . . . . . 8 E HN . 18855 1 29 . 1 1 8 8 GLU C C 13 175.941 0.200 1 1 . . . . . 8 E C . 18855 1 30 . 1 1 8 8 GLU CA C 13 55.597 0.200 1 1 . . . . . 8 E CA . 18855 1 31 . 1 1 8 8 GLU CB C 13 30.097 0.200 1 1 . . . . . 8 E CB . 18855 1 32 . 1 1 8 8 GLU N N 15 126.617 0.058 10 1 . . . . . 8 E N . 18855 1 33 . 1 1 12 12 PRO C C 13 176.958 0.200 1 1 . . . . . 12 P C . 18855 1 34 . 1 1 12 12 PRO CA C 13 62.839 0.130 2 1 . . . . . 12 P CA . 18855 1 35 . 1 1 12 12 PRO CB C 13 31.459 0.052 2 1 . . . . . 12 P CB . 18855 1 36 . 1 1 13 13 GLN H H 1 8.793 0.001 11 1 . . . . . 13 Q HN . 18855 1 37 . 1 1 13 13 GLN C C 13 176.045 0.005 2 1 . . . . . 13 Q C . 18855 1 38 . 1 1 13 13 GLN CA C 13 55.569 0.081 3 1 . . . . . 13 Q CA . 18855 1 39 . 1 1 13 13 GLN CB C 13 29.084 0.028 3 1 . . . . . 13 Q CB . 18855 1 40 . 1 1 13 13 GLN N N 15 121.046 0.023 13 1 . . . . . 13 Q N . 18855 1 41 . 1 1 14 14 ASN H H 1 8.808 0.004 13 1 . . . . . 14 N HN . 18855 1 42 . 1 1 14 14 ASN C C 13 175.669 0.014 3 1 . . . . . 14 N C . 18855 1 43 . 1 1 14 14 ASN CA C 13 53.014 0.113 3 1 . . . . . 14 N CA . 18855 1 44 . 1 1 14 14 ASN CB C 13 38.262 0.060 3 1 . . . . . 14 N CB . 18855 1 45 . 1 1 14 14 ASN N N 15 120.063 0.036 16 1 . . . . . 14 N N . 18855 1 46 . 1 1 15 15 THR H H 1 8.436 0.001 12 1 . . . . . 15 T HN . 18855 1 47 . 1 1 15 15 THR C C 13 175.297 0.014 2 1 . . . . . 15 T C . 18855 1 48 . 1 1 15 15 THR CA C 13 61.846 0.074 3 1 . . . . . 15 T CA . 18855 1 49 . 1 1 15 15 THR CB C 13 69.355 0.043 3 1 . . . . . 15 T CB . 18855 1 50 . 1 1 15 15 THR N N 15 113.986 0.029 15 1 . . . . . 15 T N . 18855 1 51 . 1 1 16 16 GLY H H 1 8.606 0.003 11 1 . . . . . 16 G HN . 18855 1 52 . 1 1 16 16 GLY C C 13 173.821 0.008 2 1 . . . . . 16 G C . 18855 1 53 . 1 1 16 16 GLY CA C 13 45.005 0.043 3 1 . . . . . 16 G CA . 18855 1 54 . 1 1 16 16 GLY N N 15 110.447 0.038 14 1 . . . . . 16 G N . 18855 1 55 . 1 1 17 17 ASN H H 1 8.504 0.002 10 1 . . . . . 17 N HN . 18855 1 56 . 1 1 17 17 ASN C C 13 175.113 0.009 2 1 . . . . . 17 N C . 18855 1 57 . 1 1 17 17 ASN CA C 13 52.998 0.113 3 1 . . . . . 17 N CA . 18855 1 58 . 1 1 17 17 ASN CB C 13 38.402 0.186 3 1 . . . . . 17 N CB . 18855 1 59 . 1 1 17 17 ASN N N 15 118.852 0.028 13 1 . . . . . 17 N N . 18855 1 60 . 1 1 18 18 ILE H H 1 8.350 0.001 12 1 . . . . . 18 I HN . 18855 1 61 . 1 1 18 18 ILE C C 13 176.070 0.076 2 1 . . . . . 18 I C . 18855 1 62 . 1 1 18 18 ILE CA C 13 60.921 0.090 2 1 . . . . . 18 I CA . 18855 1 63 . 1 1 18 18 ILE CB C 13 37.916 0.036 2 1 . . . . . 18 I CB . 18855 1 64 . 1 1 18 18 ILE N N 15 121.800 0.082 15 1 . . . . . 18 I N . 18855 1 65 . 1 1 19 19 ILE H H 1 8.583 0.003 10 1 . . . . . 19 I HN . 18855 1 66 . 1 1 19 19 ILE C C 13 176.019 0.044 2 1 . . . . . 19 I C . 18855 1 67 . 1 1 19 19 ILE CA C 13 60.746 0.037 3 1 . . . . . 19 I CA . 18855 1 68 . 1 1 19 19 ILE CB C 13 37.751 0.277 2 1 . . . . . 19 I CB . 18855 1 69 . 1 1 19 19 ILE N N 15 126.587 0.054 12 1 . . . . . 19 I N . 18855 1 70 . 1 1 20 20 ARG H H 1 8.721 0.002 9 1 . . . . . 20 R HN . 18855 1 71 . 1 1 20 20 ARG C C 13 174.407 0.200 1 1 . . . . . 20 R C . 18855 1 72 . 1 1 20 20 ARG CA C 13 54.175 0.005 2 1 . . . . . 20 R CA . 18855 1 73 . 1 1 20 20 ARG CB C 13 29.300 0.148 2 1 . . . . . 20 R CB . 18855 1 74 . 1 1 20 20 ARG N N 15 126.819 0.066 10 1 . . . . . 20 R N . 18855 1 75 . 1 1 21 21 LEU H H 1 8.570 0.007 4 1 . . . . . 21 L HN . 18855 1 76 . 1 1 21 21 LEU C C 13 175.439 0.200 1 1 . . . . . 21 L C . 18855 1 77 . 1 1 21 21 LEU CA C 13 57.537 0.016 2 1 . . . . . 21 L CA . 18855 1 78 . 1 1 21 21 LEU CB C 13 38.296 0.127 2 1 . . . . . 21 L CB . 18855 1 79 . 1 1 21 21 LEU N N 15 122.590 0.012 4 1 . . . . . 21 L N . 18855 1 80 . 1 1 22 22 CYS H H 1 8.603 0.002 8 1 . . . . . 22 C HN . 18855 1 81 . 1 1 22 22 CYS C C 13 174.002 0.200 1 1 . . . . . 22 C C . 18855 1 82 . 1 1 22 22 CYS CA C 13 56.303 0.200 1 1 . . . . . 22 C CA . 18855 1 83 . 1 1 22 22 CYS N N 15 124.647 0.046 8 1 . . . . . 22 C N . 18855 1 84 . 1 1 23 23 ALA H H 1 8.400 0.001 4 1 . . . . . 23 A HN . 18855 1 85 . 1 1 23 23 ALA CA C 13 52.251 0.200 1 1 . . . . . 23 A CA . 18855 1 86 . 1 1 23 23 ALA CB C 13 18.681 0.052 2 1 . . . . . 23 A CB . 18855 1 87 . 1 1 23 23 ALA N N 15 124.962 0.043 5 1 . . . . . 23 A N . 18855 1 88 . 1 1 24 24 ASN H H 1 8.403 0.002 7 1 . . . . . 24 N HN . 18855 1 89 . 1 1 24 24 ASN C C 13 175.686 0.200 1 1 . . . . . 24 N C . 18855 1 90 . 1 1 24 24 ASN CA C 13 57.624 0.200 1 1 . . . . . 24 N CA . 18855 1 91 . 1 1 24 24 ASN CB C 13 38.691 0.200 1 1 . . . . . 24 N CB . 18855 1 92 . 1 1 24 24 ASN N N 15 119.597 0.021 7 1 . . . . . 24 N N . 18855 1 93 . 1 1 25 25 THR H H 1 8.468 0.006 6 1 . . . . . 25 T HN . 18855 1 94 . 1 1 25 25 THR C C 13 174.809 0.515 2 1 . . . . . 25 T C . 18855 1 95 . 1 1 25 25 THR CA C 13 61.691 0.095 3 1 . . . . . 25 T CA . 18855 1 96 . 1 1 25 25 THR CB C 13 69.707 0.014 2 1 . . . . . 25 T CB . 18855 1 97 . 1 1 25 25 THR N N 15 115.517 0.007 6 1 . . . . . 25 T N . 18855 1 98 . 1 1 26 26 GLY H H 1 8.510 0.016 9 1 . . . . . 26 G HN . 18855 1 99 . 1 1 26 26 GLY C C 13 173.672 0.003 2 1 . . . . . 26 G C . 18855 1 100 . 1 1 26 26 GLY CA C 13 45.018 0.016 2 1 . . . . . 26 G CA . 18855 1 101 . 1 1 26 26 GLY N N 15 110.503 0.033 10 1 . . . . . 26 G N . 18855 1 102 . 1 1 27 27 PHE H H 1 8.239 0.001 8 1 . . . . . 27 F HN . 18855 1 103 . 1 1 27 27 PHE C C 13 175.601 0.200 1 1 . . . . . 27 F C . 18855 1 104 . 1 1 27 27 PHE CA C 13 57.547 0.200 1 1 . . . . . 27 F CA . 18855 1 105 . 1 1 27 27 PHE CB C 13 38.892 0.200 1 1 . . . . . 27 F CB . 18855 1 106 . 1 1 27 27 PHE N N 15 120.256 0.027 9 1 . . . . . 27 F N . 18855 1 107 . 1 1 28 28 ARG H H 1 8.593 0.001 2 1 . . . . . 28 R HN . 18855 1 108 . 1 1 28 28 ARG C C 13 175.746 0.200 1 1 . . . . . 28 R C . 18855 1 109 . 1 1 28 28 ARG CA C 13 55.391 0.200 1 1 . . . . . 28 R CA . 18855 1 110 . 1 1 28 28 ARG CB C 13 30.316 0.020 2 1 . . . . . 28 R CB . 18855 1 111 . 1 1 28 28 ARG N N 15 123.688 0.024 2 1 . . . . . 28 R N . 18855 1 112 . 1 1 29 29 LEU H H 1 8.511 0.003 10 1 . . . . . 29 L HN . 18855 1 113 . 1 1 29 29 LEU C C 13 176.939 0.068 2 1 . . . . . 29 L C . 18855 1 114 . 1 1 29 29 LEU CA C 13 58.721 3.950 2 1 . . . . . 29 L CA . 18855 1 115 . 1 1 29 29 LEU CB C 13 36.673 5.068 2 1 . . . . . 29 L CB . 18855 1 116 . 1 1 29 29 LEU N N 15 124.309 0.057 10 1 . . . . . 29 L N . 18855 1 117 . 1 1 30 30 HIS H H 1 8.710 0.003 10 1 . . . . . 30 H HN . 18855 1 118 . 1 1 30 30 HIS C C 13 175.261 0.001 2 1 . . . . . 30 H C . 18855 1 119 . 1 1 30 30 HIS CA C 13 56.203 0.200 2 1 . . . . . 30 H CA . 18855 1 120 . 1 1 30 30 HIS CB C 13 30.605 0.066 3 1 . . . . . 30 H CB . 18855 1 121 . 1 1 30 30 HIS N N 15 121.416 0.052 12 1 . . . . . 30 H N . 18855 1 122 . 1 1 31 31 LEU H H 1 8.432 0.002 10 1 . . . . . 31 L HN . 18855 1 123 . 1 1 31 31 LEU C C 13 176.916 0.041 2 1 . . . . . 31 L C . 18855 1 124 . 1 1 31 31 LEU CA C 13 54.450 0.203 2 1 . . . . . 31 L CA . 18855 1 125 . 1 1 31 31 LEU CB C 13 41.434 0.030 2 1 . . . . . 31 L CB . 18855 1 126 . 1 1 31 31 LEU N N 15 124.255 0.069 11 1 . . . . . 31 L N . 18855 1 127 . 1 1 32 32 ILE H H 1 8.582 0.002 9 1 . . . . . 32 I HN . 18855 1 128 . 1 1 32 32 ILE C C 13 175.692 0.291 2 1 . . . . . 32 I C . 18855 1 129 . 1 1 32 32 ILE CA C 13 57.384 0.200 1 1 . . . . . 32 I CA . 18855 1 130 . 1 1 32 32 ILE CB C 13 38.517 0.200 1 1 . . . . . 32 I CB . 18855 1 131 . 1 1 32 32 ILE N N 15 122.217 0.028 9 1 . . . . . 32 I N . 18855 1 132 . 1 1 33 33 GLU H H 1 8.683 0.001 7 1 . . . . . 33 E HN . 18855 1 133 . 1 1 33 33 GLU C C 13 177.197 0.200 1 1 . . . . . 33 E C . 18855 1 134 . 1 1 33 33 GLU N N 15 124.790 0.099 7 1 . . . . . 33 E N . 18855 1 135 . 1 1 35 35 LEU H H 1 8.577 0.004 4 1 . . . . . 35 L HN . 18855 1 136 . 1 1 35 35 LEU C C 13 178.106 0.200 1 1 . . . . . 35 L C . 18855 1 137 . 1 1 35 35 LEU CA C 13 55.019 0.060 2 1 . . . . . 35 L CA . 18855 1 138 . 1 1 35 35 LEU CB C 13 41.530 0.200 1 1 . . . . . 35 L CB . 18855 1 139 . 1 1 35 35 LEU N N 15 122.556 0.059 4 1 . . . . . 35 L N . 18855 1 140 . 1 1 36 36 GLY H H 1 8.601 0.003 7 1 . . . . . 36 G HN . 18855 1 141 . 1 1 36 36 GLY C C 13 173.562 0.017 2 1 . . . . . 36 G C . 18855 1 142 . 1 1 36 36 GLY CA C 13 44.722 0.026 3 1 . . . . . 36 G CA . 18855 1 143 . 1 1 36 36 GLY N N 15 109.721 0.072 8 1 . . . . . 36 G N . 18855 1 144 . 1 1 37 37 PHE H H 1 8.317 0.002 10 1 . . . . . 37 F HN . 18855 1 145 . 1 1 37 37 PHE C C 13 176.041 0.009 2 1 . . . . . 37 F C . 18855 1 146 . 1 1 37 37 PHE CA C 13 57.535 0.191 3 1 . . . . . 37 F CA . 18855 1 147 . 1 1 37 37 PHE CB C 13 39.260 0.157 3 1 . . . . . 37 F CB . 18855 1 148 . 1 1 37 37 PHE N N 15 120.121 0.028 13 1 . . . . . 37 F N . 18855 1 149 . 1 1 38 38 THR H H 1 8.390 0.001 12 1 . . . . . 38 T HN . 18855 1 150 . 1 1 38 38 THR C C 13 174.222 0.010 2 1 . . . . . 38 T C . 18855 1 151 . 1 1 38 38 THR CA C 13 61.274 0.035 3 1 . . . . . 38 T CA . 18855 1 152 . 1 1 38 38 THR CB C 13 69.783 0.043 3 1 . . . . . 38 T CB . 18855 1 153 . 1 1 38 38 THR N N 15 116.143 0.036 15 1 . . . . . 38 T N . 18855 1 154 . 1 1 39 39 TRP H H 1 8.421 0.002 12 1 . . . . . 39 W HN . 18855 1 155 . 1 1 39 39 TRP C C 13 175.844 0.005 2 1 . . . . . 39 W C . 18855 1 156 . 1 1 39 39 TRP CA C 13 57.305 0.113 3 1 . . . . . 39 W CA . 18855 1 157 . 1 1 39 39 TRP CB C 13 28.978 0.033 3 1 . . . . . 39 W CB . 18855 1 158 . 1 1 39 39 TRP N N 15 123.163 0.031 15 1 . . . . . 39 W N . 18855 1 159 . 1 1 40 40 ASP H H 1 8.414 0.002 11 1 . . . . . 40 D HN . 18855 1 160 . 1 1 40 40 ASP C C 13 175.763 0.035 2 1 . . . . . 40 D C . 18855 1 161 . 1 1 40 40 ASP CA C 13 53.618 0.143 2 1 . . . . . 40 D CA . 18855 1 162 . 1 1 40 40 ASP CB C 13 40.587 0.041 3 1 . . . . . 40 D CB . 18855 1 163 . 1 1 40 40 ASP N N 15 121.748 0.053 12 1 . . . . . 40 D N . 18855 1 164 . 1 1 41 41 ASP H H 1 8.303 0.003 9 1 . . . . . 41 D HN . 18855 1 165 . 1 1 41 41 ASP C C 13 176.911 0.030 2 1 . . . . . 41 D C . 18855 1 166 . 1 1 41 41 ASP CA C 13 54.276 0.024 2 1 . . . . . 41 D CA . 18855 1 167 . 1 1 41 41 ASP CB C 13 40.630 0.059 2 1 . . . . . 41 D CB . 18855 1 168 . 1 1 41 41 ASP N N 15 121.648 0.030 10 1 . . . . . 41 D N . 18855 1 169 . 1 1 42 42 LYS H H 1 8.587 0.001 9 1 . . . . . 42 K HN . 18855 1 170 . 1 1 42 42 LYS C C 13 177.091 0.001 2 1 . . . . . 42 K C . 18855 1 171 . 1 1 42 42 LYS CA C 13 56.496 0.123 3 1 . . . . . 42 K CA . 18855 1 172 . 1 1 42 42 LYS CB C 13 31.520 0.080 3 1 . . . . . 42 K CB . 18855 1 173 . 1 1 42 42 LYS N N 15 122.043 0.055 11 1 . . . . . 42 K N . 18855 1 174 . 1 1 43 43 ARG H H 1 8.383 0.003 11 1 . . . . . 43 R HN . 18855 1 175 . 1 1 43 43 ARG C C 13 176.655 0.029 2 1 . . . . . 43 R C . 18855 1 176 . 1 1 43 43 ARG CA C 13 56.343 0.153 3 1 . . . . . 43 R CA . 18855 1 177 . 1 1 43 43 ARG CB C 13 29.753 0.053 3 1 . . . . . 43 R CB . 18855 1 178 . 1 1 43 43 ARG N N 15 120.219 0.032 12 1 . . . . . 43 R N . 18855 1 179 . 1 1 44 44 LEU H H 1 8.282 0.002 10 1 . . . . . 44 L HN . 18855 1 180 . 1 1 44 44 LEU C C 13 177.377 0.200 1 1 . . . . . 44 L C . 18855 1 181 . 1 1 44 44 LEU CA C 13 54.669 0.251 2 1 . . . . . 44 L CA . 18855 1 182 . 1 1 44 44 LEU CB C 13 41.436 0.014 2 1 . . . . . 44 L CB . 18855 1 183 . 1 1 44 44 LEU N N 15 122.161 0.051 11 1 . . . . . 44 L N . 18855 1 184 . 1 1 45 45 ARG H H 1 8.529 0.053 6 1 . . . . . 45 R HN . 18855 1 185 . 1 1 45 45 ARG C C 13 176.446 0.200 1 1 . . . . . 45 R C . 18855 1 186 . 1 1 45 45 ARG CA C 13 55.762 0.200 1 1 . . . . . 45 R CA . 18855 1 187 . 1 1 45 45 ARG CB C 13 30.027 0.054 2 1 . . . . . 45 R CB . 18855 1 188 . 1 1 45 45 ARG N N 15 122.563 0.079 6 1 . . . . . 45 R N . 18855 1 189 . 1 1 46 46 ARG H H 1 8.777 0.001 10 1 . . . . . 46 R HN . 18855 1 190 . 1 1 46 46 ARG C C 13 176.441 0.015 2 1 . . . . . 46 R C . 18855 1 191 . 1 1 46 46 ARG CA C 13 55.995 0.050 2 1 . . . . . 46 R CA . 18855 1 192 . 1 1 46 46 ARG CB C 13 30.184 0.006 2 1 . . . . . 46 R CB . 18855 1 193 . 1 1 46 46 ARG N N 15 123.420 0.037 11 1 . . . . . 46 R N . 18855 1 194 . 1 1 47 47 SER H H 1 8.720 0.002 9 1 . . . . . 47 S HN . 18855 1 195 . 1 1 47 47 SER C C 13 175.041 0.009 2 1 . . . . . 47 S C . 18855 1 196 . 1 1 47 47 SER CA C 13 58.032 0.094 3 1 . . . . . 47 S CA . 18855 1 197 . 1 1 47 47 SER CB C 13 63.584 0.048 2 1 . . . . . 47 S CB . 18855 1 198 . 1 1 47 47 SER N N 15 117.515 0.018 10 1 . . . . . 47 S N . 18855 1 199 . 1 1 48 48 GLY H H 1 8.688 0.001 8 1 . . . . . 48 G HN . 18855 1 200 . 1 1 48 48 GLY C C 13 173.964 0.036 2 1 . . . . . 48 G C . 18855 1 201 . 1 1 48 48 GLY CA C 13 45.123 0.018 2 1 . . . . . 48 G CA . 18855 1 202 . 1 1 48 48 GLY N N 15 110.911 0.013 9 1 . . . . . 48 G N . 18855 1 203 . 1 1 49 49 LEU H H 1 8.267 0.001 5 1 . . . . . 49 L HN . 18855 1 204 . 1 1 49 49 LEU C C 13 175.792 0.200 1 1 . . . . . 49 L C . 18855 1 205 . 1 1 49 49 LEU CA C 13 54.685 0.072 3 1 . . . . . 49 L CA . 18855 1 206 . 1 1 49 49 LEU CB C 13 41.732 0.003 2 1 . . . . . 49 L CB . 18855 1 207 . 1 1 49 49 LEU N N 15 121.037 0.025 5 1 . . . . . 49 L N . 18855 1 208 . 1 1 50 50 ASP H H 1 8.600 0.002 10 1 . . . . . 50 D HN . 18855 1 209 . 1 1 50 50 ASP C C 13 176.008 0.076 2 1 . . . . . 50 D C . 18855 1 210 . 1 1 50 50 ASP CA C 13 54.093 0.034 3 1 . . . . . 50 D CA . 18855 1 211 . 1 1 50 50 ASP CB C 13 40.847 0.081 2 1 . . . . . 50 D CB . 18855 1 212 . 1 1 50 50 ASP N N 15 120.638 0.025 11 1 . . . . . 50 D N . 18855 1 213 . 1 1 51 51 TYR H H 1 8.304 0.003 10 1 . . . . . 51 Y HN . 18855 1 214 . 1 1 51 51 TYR C C 13 175.442 0.026 2 1 . . . . . 51 Y C . 18855 1 215 . 1 1 51 51 TYR CA C 13 57.789 0.036 3 1 . . . . . 51 Y CA . 18855 1 216 . 1 1 51 51 TYR CB C 13 38.278 0.067 2 1 . . . . . 51 Y CB . 18855 1 217 . 1 1 51 51 TYR N N 15 120.595 0.041 12 1 . . . . . 51 Y N . 18855 1 218 . 1 1 52 52 HIS H H 1 8.369 0.001 9 1 . . . . . 52 H HN . 18855 1 219 . 1 1 52 52 HIS C C 13 175.181 0.027 2 1 . . . . . 52 H C . 18855 1 220 . 1 1 52 52 HIS CA C 13 56.051 0.200 1 1 . . . . . 52 H CA . 18855 1 221 . 1 1 52 52 HIS CB C 13 30.779 0.009 3 1 . . . . . 52 H CB . 18855 1 222 . 1 1 52 52 HIS N N 15 122.055 0.068 10 1 . . . . . 52 H N . 18855 1 223 . 1 1 53 53 GLU H H 1 8.414 0.001 9 1 . . . . . 53 E HN . 18855 1 224 . 1 1 53 53 GLU C C 13 176.147 0.016 2 1 . . . . . 53 E C . 18855 1 225 . 1 1 53 53 GLU CA C 13 56.194 0.102 3 1 . . . . . 53 E CA . 18855 1 226 . 1 1 53 53 GLU CB C 13 29.849 0.024 3 1 . . . . . 53 E CB . 18855 1 227 . 1 1 53 53 GLU N N 15 122.584 0.041 9 1 . . . . . 53 E N . 18855 1 228 . 1 1 54 54 PHE H H 1 8.534 0.001 10 1 . . . . . 54 F HN . 18855 1 229 . 1 1 54 54 PHE C C 13 175.522 0.014 2 1 . . . . . 54 F C . 18855 1 230 . 1 1 54 54 PHE CA C 13 57.402 0.108 2 1 . . . . . 54 F CA . 18855 1 231 . 1 1 54 54 PHE CB C 13 38.957 0.027 3 1 . . . . . 54 F CB . 18855 1 232 . 1 1 54 54 PHE N N 15 120.769 0.045 11 1 . . . . . 54 F N . 18855 1 233 . 1 1 55 55 ALA H H 1 8.386 0.002 10 1 . . . . . 55 A HN . 18855 1 234 . 1 1 55 55 ALA C C 13 177.318 0.015 2 1 . . . . . 55 A C . 18855 1 235 . 1 1 55 55 ALA CA C 13 52.175 0.001 2 1 . . . . . 55 A CA . 18855 1 236 . 1 1 55 55 ALA CB C 13 18.798 0.028 2 1 . . . . . 55 A CB . 18855 1 237 . 1 1 55 55 ALA N N 15 125.258 0.052 12 1 . . . . . 55 A N . 18855 1 238 . 1 1 56 56 GLU H H 1 8.507 0.001 8 1 . . . . . 56 E HN . 18855 1 239 . 1 1 56 56 GLU C C 13 176.421 0.006 2 1 . . . . . 56 E C . 18855 1 240 . 1 1 56 56 GLU CA C 13 55.773 0.232 4 1 . . . . . 56 E CA . 18855 1 241 . 1 1 56 56 GLU CB C 13 29.124 0.649 2 1 . . . . . 56 E CB . 18855 1 242 . 1 1 56 56 GLU N N 15 120.820 0.067 9 1 . . . . . 56 E N . 18855 1 243 . 1 1 57 57 ILE H H 1 8.492 0.001 11 1 . . . . . 57 I HN . 18855 1 244 . 1 1 57 57 ILE C C 13 176.262 0.048 2 1 . . . . . 57 I C . 18855 1 245 . 1 1 57 57 ILE CA C 13 60.909 0.015 2 1 . . . . . 57 I CA . 18855 1 246 . 1 1 57 57 ILE CB C 13 37.759 0.093 2 1 . . . . . 57 I CB . 18855 1 247 . 1 1 57 57 ILE N N 15 123.559 0.045 12 1 . . . . . 57 I N . 18855 1 248 . 1 1 58 58 LYS H H 1 8.687 0.003 9 1 . . . . . 58 K HN . 18855 1 249 . 1 1 58 58 LYS C C 13 176.436 0.028 2 1 . . . . . 58 K C . 18855 1 250 . 1 1 58 58 LYS CA C 13 55.976 0.018 2 1 . . . . . 58 K CA . 18855 1 251 . 1 1 58 58 LYS CB C 13 32.169 0.077 2 1 . . . . . 58 K CB . 18855 1 252 . 1 1 58 58 LYS N N 15 126.633 0.079 11 1 . . . . . 58 K N . 18855 1 253 . 1 1 59 59 ARG H H 1 8.677 0.002 10 1 . . . . . 59 R HN . 18855 1 254 . 1 1 59 59 ARG C C 13 176.248 0.018 2 1 . . . . . 59 R C . 18855 1 255 . 1 1 59 59 ARG CA C 13 55.724 0.054 2 1 . . . . . 59 R CA . 18855 1 256 . 1 1 59 59 ARG CB C 13 30.104 0.009 2 1 . . . . . 59 R CB . 18855 1 257 . 1 1 59 59 ARG N N 15 123.359 0.067 12 1 . . . . . 59 R N . 18855 1 258 . 1 1 60 60 HIS H H 1 8.633 0.001 9 1 . . . . . 60 H HN . 18855 1 259 . 1 1 60 60 HIS C C 13 175.678 0.003 2 1 . . . . . 60 H C . 18855 1 260 . 1 1 60 60 HIS CA C 13 56.110 0.007 2 1 . . . . . 60 H CA . 18855 1 261 . 1 1 60 60 HIS CB C 13 30.968 0.050 3 1 . . . . . 60 H CB . 18855 1 262 . 1 1 60 60 HIS N N 15 122.019 0.034 11 1 . . . . . 60 H N . 18855 1 263 . 1 1 61 61 LYS H H 1 8.664 0.003 11 1 . . . . . 61 K HN . 18855 1 264 . 1 1 61 61 LYS C C 13 176.594 0.030 2 1 . . . . . 61 K C . 18855 1 265 . 1 1 61 61 LYS CA C 13 55.990 0.070 4 1 . . . . . 61 K CA . 18855 1 266 . 1 1 61 61 LYS CB C 13 32.547 0.049 3 1 . . . . . 61 K CB . 18855 1 267 . 1 1 61 61 LYS N N 15 123.517 0.049 13 1 . . . . . 61 K N . 18855 1 268 . 1 1 62 62 THR H H 1 8.475 0.002 9 1 . . . . . 62 T HN . 18855 1 269 . 1 1 62 62 THR C C 13 174.310 0.007 2 1 . . . . . 62 T C . 18855 1 270 . 1 1 62 62 THR CA C 13 61.626 0.200 1 1 . . . . . 62 T CA . 18855 1 271 . 1 1 62 62 THR CB C 13 69.751 0.009 2 1 . . . . . 62 T CB . 18855 1 272 . 1 1 62 62 THR N N 15 115.978 0.087 10 1 . . . . . 62 T N . 18855 1 273 . 1 1 63 63 PHE H H 1 8.616 0.002 9 1 . . . . . 63 F HN . 18855 1 274 . 1 1 63 63 PHE C C 13 175.519 0.037 2 1 . . . . . 63 F C . 18855 1 275 . 1 1 63 63 PHE CA C 13 57.849 0.200 2 1 . . . . . 63 F CA . 18855 1 276 . 1 1 63 63 PHE CB C 13 38.859 0.242 2 1 . . . . . 63 F CB . 18855 1 277 . 1 1 63 63 PHE N N 15 122.520 0.022 10 1 . . . . . 63 F N . 18855 1 278 . 1 1 64 64 GLU H H 1 8.580 0.001 9 1 . . . . . 64 E HN . 18855 1 279 . 1 1 64 64 GLU C C 13 175.746 0.007 2 1 . . . . . 64 E C . 18855 1 280 . 1 1 64 64 GLU CA C 13 55.918 0.069 3 1 . . . . . 64 E CA . 18855 1 281 . 1 1 64 64 GLU CB C 13 29.803 0.025 2 1 . . . . . 64 E CB . 18855 1 282 . 1 1 64 64 GLU N N 15 123.314 0.035 10 1 . . . . . 64 E N . 18855 1 283 . 1 1 65 65 ALA H H 1 8.414 0.001 11 1 . . . . . 65 A HN . 18855 1 284 . 1 1 65 65 ALA C C 13 177.439 0.012 3 1 . . . . . 65 A C . 18855 1 285 . 1 1 65 65 ALA CA C 13 52.302 0.030 2 1 . . . . . 65 A CA . 18855 1 286 . 1 1 65 65 ALA CB C 13 18.572 0.011 2 1 . . . . . 65 A CB . 18855 1 287 . 1 1 65 65 ALA N N 15 125.218 0.034 13 1 . . . . . 65 A N . 18855 1 288 . 1 1 66 66 PHE H H 1 8.443 0.001 9 1 . . . . . 66 F HN . 18855 1 289 . 1 1 66 66 PHE C C 13 175.700 0.005 2 1 . . . . . 66 F C . 18855 1 290 . 1 1 66 66 PHE CA C 13 57.338 0.012 2 1 . . . . . 66 F CA . 18855 1 291 . 1 1 66 66 PHE CB C 13 38.781 0.029 2 1 . . . . . 66 F CB . 18855 1 292 . 1 1 66 66 PHE N N 15 119.824 0.024 11 1 . . . . . 66 F N . 18855 1 293 . 1 1 67 67 LEU H H 1 8.430 0.002 9 1 . . . . . 67 L HN . 18855 1 294 . 1 1 67 67 LEU C C 13 177.248 0.026 2 1 . . . . . 67 L C . 18855 1 295 . 1 1 67 67 LEU CA C 13 54.501 0.092 4 1 . . . . . 67 L CA . 18855 1 296 . 1 1 67 67 LEU CB C 13 41.570 0.089 3 1 . . . . . 67 L CB . 18855 1 297 . 1 1 67 67 LEU N N 15 124.457 0.102 10 1 . . . . . 67 L N . 18855 1 298 . 1 1 68 68 GLU H H 1 8.647 0.004 12 1 . . . . . 68 E HN . 18855 1 299 . 1 1 68 68 GLU C C 13 176.771 0.200 1 1 . . . . . 68 E C . 18855 1 300 . 1 1 68 68 GLU CA C 13 56.254 0.002 2 1 . . . . . 68 E CA . 18855 1 301 . 1 1 68 68 GLU CB C 13 29.683 0.017 2 1 . . . . . 68 E CB . 18855 1 302 . 1 1 68 68 GLU N N 15 122.559 0.048 14 1 . . . . . 68 E N . 18855 1 303 . 1 1 69 69 SER H H 1 8.532 0.011 7 1 . . . . . 69 S HN . 18855 1 304 . 1 1 69 69 SER C C 13 174.750 0.070 2 1 . . . . . 69 S C . 18855 1 305 . 1 1 69 69 SER CA C 13 58.371 0.020 2 1 . . . . . 69 S CA . 18855 1 306 . 1 1 69 69 SER CB C 13 63.336 0.200 1 1 . . . . . 69 S CB . 18855 1 307 . 1 1 69 69 SER N N 15 116.608 0.117 10 1 . . . . . 69 S N . 18855 1 308 . 1 1 70 70 GLU H H 1 8.623 0.002 10 1 . . . . . 70 E HN . 18855 1 309 . 1 1 70 70 GLU C C 13 176.549 0.039 2 1 . . . . . 70 E C . 18855 1 310 . 1 1 70 70 GLU CA C 13 56.243 0.277 2 1 . . . . . 70 E CA . 18855 1 311 . 1 1 70 70 GLU CB C 13 29.994 0.035 2 1 . . . . . 70 E CB . 18855 1 312 . 1 1 70 70 GLU N N 15 122.785 0.026 11 1 . . . . . 70 E N . 18855 1 313 . 1 1 71 71 LYS H H 1 8.562 0.002 8 1 . . . . . 71 K HN . 18855 1 314 . 1 1 71 71 LYS C C 13 176.260 0.200 1 1 . . . . . 71 K C . 18855 1 315 . 1 1 71 71 LYS N N 15 123.073 0.070 8 1 . . . . . 71 K N . 18855 1 316 . 1 1 72 72 PRO C C 13 176.915 0.200 1 1 . . . . . 72 P C . 18855 1 317 . 1 1 72 72 PRO CA C 13 62.284 0.200 1 1 . . . . . 72 P CA . 18855 1 318 . 1 1 72 72 PRO CB C 13 32.148 0.200 1 1 . . . . . 72 P CB . 18855 1 319 . 1 1 73 73 LYS H H 1 8.726 0.003 8 1 . . . . . 73 K HN . 18855 1 320 . 1 1 73 73 LYS C C 13 176.771 0.014 2 1 . . . . . 73 K C . 18855 1 321 . 1 1 73 73 LYS CA C 13 56.212 0.126 2 1 . . . . . 73 K CA . 18855 1 322 . 1 1 73 73 LYS CB C 13 29.243 0.064 2 1 . . . . . 73 K CB . 18855 1 323 . 1 1 73 73 LYS N N 15 122.622 0.038 8 1 . . . . . 73 K N . 18855 1 324 . 1 1 74 74 ARG H H 1 8.694 0.002 9 1 . . . . . 74 R HN . 18855 1 325 . 1 1 74 74 ARG C C 13 175.976 0.003 2 1 . . . . . 74 R C . 18855 1 326 . 1 1 74 74 ARG CA C 13 55.718 0.175 3 1 . . . . . 74 R CA . 18855 1 327 . 1 1 74 74 ARG CB C 13 30.125 0.048 2 1 . . . . . 74 R CB . 18855 1 328 . 1 1 74 74 ARG N N 15 123.109 0.016 10 1 . . . . . 74 R N . 18855 1 329 . 1 1 75 75 LEU H H 1 8.592 0.007 10 1 . . . . . 75 L HN . 18855 1 330 . 1 1 75 75 LEU C C 13 176.983 0.009 2 1 . . . . . 75 L C . 18855 1 331 . 1 1 75 75 LEU CA C 13 54.676 0.041 2 1 . . . . . 75 L CA . 18855 1 332 . 1 1 75 75 LEU CB C 13 41.629 0.068 2 1 . . . . . 75 L CB . 18855 1 333 . 1 1 75 75 LEU N N 15 124.574 0.065 12 1 . . . . . 75 L N . 18855 1 334 . 1 1 76 76 PHE H H 1 8.609 0.002 9 1 . . . . . 76 F HN . 18855 1 335 . 1 1 76 76 PHE C C 13 175.457 0.013 2 1 . . . . . 76 F C . 18855 1 336 . 1 1 76 76 PHE CA C 13 57.217 0.030 3 1 . . . . . 76 F CA . 18855 1 337 . 1 1 76 76 PHE CB C 13 39.105 0.100 3 1 . . . . . 76 F CB . 18855 1 338 . 1 1 76 76 PHE N N 15 121.414 0.027 11 1 . . . . . 76 F N . 18855 1 339 . 1 1 77 77 ALA H H 1 8.599 0.002 11 1 . . . . . 77 A HN . 18855 1 340 . 1 1 77 77 ALA C C 13 177.410 0.007 2 1 . . . . . 77 A C . 18855 1 341 . 1 1 77 77 ALA CA C 13 51.920 0.065 3 1 . . . . . 77 A CA . 18855 1 342 . 1 1 77 77 ALA CB C 13 18.708 0.107 3 1 . . . . . 77 A CB . 18855 1 343 . 1 1 77 77 ALA N N 15 125.438 0.024 13 1 . . . . . 77 A N . 18855 1 344 . 1 1 78 78 LEU H H 1 8.538 0.003 12 1 . . . . . 78 L HN . 18855 1 345 . 1 1 78 78 LEU C C 13 177.775 0.019 2 1 . . . . . 78 L C . 18855 1 346 . 1 1 78 78 LEU CA C 13 54.687 0.063 3 1 . . . . . 78 L CA . 18855 1 347 . 1 1 78 78 LEU CB C 13 41.580 0.045 3 1 . . . . . 78 L CB . 18855 1 348 . 1 1 78 78 LEU N N 15 122.189 0.027 13 1 . . . . . 78 L N . 18855 1 349 . 1 1 79 79 THR H H 1 8.496 0.007 11 1 . . . . . 79 T HN . 18855 1 350 . 1 1 79 79 THR C C 13 174.868 0.006 2 1 . . . . . 79 T C . 18855 1 351 . 1 1 79 79 THR CA C 13 61.197 0.016 2 1 . . . . . 79 T CA . 18855 1 352 . 1 1 79 79 THR CB C 13 69.700 0.017 2 1 . . . . . 79 T CB . 18855 1 353 . 1 1 79 79 THR N N 15 115.001 0.016 13 1 . . . . . 79 T N . 18855 1 354 . 1 1 80 80 THR H H 1 8.484 0.002 9 1 . . . . . 80 T HN . 18855 1 355 . 1 1 80 80 THR C C 13 174.694 0.007 2 1 . . . . . 80 T C . 18855 1 356 . 1 1 80 80 THR CA C 13 61.498 0.065 3 1 . . . . . 80 T CA . 18855 1 357 . 1 1 80 80 THR CB C 13 69.516 0.032 3 1 . . . . . 80 T CB . 18855 1 358 . 1 1 80 80 THR N N 15 116.404 0.090 11 1 . . . . . 80 T N . 18855 1 359 . 1 1 81 81 LYS H H 1 8.606 0.002 11 1 . . . . . 81 K HN . 18855 1 360 . 1 1 81 81 LYS C C 13 177.074 0.200 1 1 . . . . . 81 K C . 18855 1 361 . 1 1 81 81 LYS CA C 13 56.164 0.200 1 1 . . . . . 81 K CA . 18855 1 362 . 1 1 81 81 LYS CB C 13 32.423 0.200 1 1 . . . . . 81 K CB . 18855 1 363 . 1 1 81 81 LYS N N 15 123.741 0.020 12 1 . . . . . 81 K N . 18855 1 364 . 1 1 82 82 GLY H H 1 8.610 0.000 1 1 . . . . . 82 G HN . 18855 1 365 . 1 1 82 82 GLY C C 13 173.583 0.200 1 1 . . . . . 82 G C . 18855 1 366 . 1 1 82 82 GLY CA C 13 44.707 0.200 1 1 . . . . . 82 G CA . 18855 1 367 . 1 1 82 82 GLY N N 15 110.010 0.017 2 1 . . . . . 82 G N . 18855 1 368 . 1 1 83 83 CYS H H 1 8.306 0.001 8 1 . . . . . 83 C HN . 18855 1 369 . 1 1 83 83 CYS C C 13 174.772 0.200 1 1 . . . . . 83 C C . 18855 1 370 . 1 1 83 83 CYS CA C 13 58.538 0.200 1 1 . . . . . 83 C CA . 18855 1 371 . 1 1 83 83 CYS CB C 13 38.116 0.200 1 1 . . . . . 83 C CB . 18855 1 372 . 1 1 83 83 CYS N N 15 121.650 0.024 8 1 . . . . . 83 C N . 18855 1 373 . 1 1 84 84 PRO C C 13 176.751 0.200 1 1 . . . . . 84 P C . 18855 1 374 . 1 1 84 84 PRO CA C 13 62.905 0.197 2 1 . . . . . 84 P CA . 18855 1 375 . 1 1 84 84 PRO CB C 13 31.822 0.112 2 1 . . . . . 84 P CB . 18855 1 376 . 1 1 85 85 ALA H H 1 8.713 0.002 11 1 . . . . . 85 A HN . 18855 1 377 . 1 1 85 85 ALA C C 13 177.883 0.001 2 1 . . . . . 85 A C . 18855 1 378 . 1 1 85 85 ALA CA C 13 52.541 0.054 3 1 . . . . . 85 A CA . 18855 1 379 . 1 1 85 85 ALA CB C 13 18.503 0.132 3 1 . . . . . 85 A CB . 18855 1 380 . 1 1 85 85 ALA N N 15 124.463 0.071 13 1 . . . . . 85 A N . 18855 1 381 . 1 1 86 86 HIS H H 1 8.342 0.002 12 1 . . . . . 86 H HN . 18855 1 382 . 1 1 86 86 HIS C C 13 175.901 0.025 2 1 . . . . . 86 H C . 18855 1 383 . 1 1 86 86 HIS CA C 13 56.579 0.037 2 1 . . . . . 86 H CA . 18855 1 384 . 1 1 86 86 HIS CB C 13 30.727 0.090 2 1 . . . . . 86 H CB . 18855 1 385 . 1 1 86 86 HIS N N 15 118.495 0.021 15 1 . . . . . 86 H N . 18855 1 386 . 1 1 87 87 SER H H 1 8.396 0.033 8 1 . . . . . 87 S HN . 18855 1 387 . 1 1 87 87 SER C C 13 174.610 0.006 2 1 . . . . . 87 S C . 18855 1 388 . 1 1 87 87 SER CA C 13 58.135 0.200 1 1 . . . . . 87 S CA . 18855 1 389 . 1 1 87 87 SER CB C 13 63.195 0.200 1 1 . . . . . 87 S CB . 18855 1 390 . 1 1 87 87 SER N N 15 116.554 0.124 11 1 . . . . . 87 S N . 18855 1 391 . 1 1 88 88 GLN H H 1 8.554 0.004 8 1 . . . . . 88 Q HN . 18855 1 392 . 1 1 88 88 GLN C C 13 176.400 0.056 2 1 . . . . . 88 Q C . 18855 1 393 . 1 1 88 88 GLN CA C 13 56.157 0.082 2 1 . . . . . 88 Q CA . 18855 1 394 . 1 1 88 88 GLN CB C 13 29.815 0.032 2 1 . . . . . 88 Q CB . 18855 1 395 . 1 1 88 88 GLN N N 15 122.737 0.084 11 1 . . . . . 88 Q N . 18855 1 396 . 1 1 89 89 VAL H H 1 8.547 0.002 10 1 . . . . . 89 V HN . 18855 1 397 . 1 1 89 89 VAL C C 13 175.528 0.392 2 1 . . . . . 89 V C . 18855 1 398 . 1 1 89 89 VAL CA C 13 62.075 0.057 3 1 . . . . . 89 V CA . 18855 1 399 . 1 1 89 89 VAL CB C 13 31.782 0.047 3 1 . . . . . 89 V CB . 18855 1 400 . 1 1 89 89 VAL N N 15 123.976 0.059 11 1 . . . . . 89 V N . 18855 1 401 . 1 1 90 90 LYS H H 1 8.575 0.003 10 1 . . . . . 90 K HN . 18855 1 402 . 1 1 90 90 LYS C C 13 176.207 0.012 2 1 . . . . . 90 K C . 18855 1 403 . 1 1 90 90 LYS CA C 13 55.829 0.139 3 1 . . . . . 90 K CA . 18855 1 404 . 1 1 90 90 LYS CB C 13 32.444 0.133 3 1 . . . . . 90 K CB . 18855 1 405 . 1 1 90 90 LYS N N 15 125.698 0.037 11 1 . . . . . 90 K N . 18855 1 406 . 1 1 91 91 PHE H H 1 8.535 0.006 7 1 . . . . . 91 F HN . 18855 1 407 . 1 1 91 91 PHE C C 13 175.534 0.200 1 1 . . . . . 91 F C . 18855 1 408 . 1 1 91 91 PHE CA C 13 57.240 0.014 2 1 . . . . . 91 F CA . 18855 1 409 . 1 1 91 91 PHE CB C 13 39.197 0.037 2 1 . . . . . 91 F CB . 18855 1 410 . 1 1 91 91 PHE N N 15 122.251 0.059 9 1 . . . . . 91 F N . 18855 1 411 . 1 1 92 92 LYS H H 1 8.696 0.002 11 1 . . . . . 92 K HN . 18855 1 412 . 1 1 92 92 LYS C C 13 176.209 0.009 2 1 . . . . . 92 K C . 18855 1 413 . 1 1 92 92 LYS CA C 13 55.606 0.024 2 1 . . . . . 92 K CA . 18855 1 414 . 1 1 92 92 LYS CB C 13 32.607 0.032 3 1 . . . . . 92 K CB . 18855 1 415 . 1 1 92 92 LYS N N 15 124.248 0.026 12 1 . . . . . 92 K N . 18855 1 416 . 1 1 93 93 LEU H H 1 8.614 0.002 10 1 . . . . . 93 L HN . 18855 1 417 . 1 1 93 93 LEU C C 13 177.922 0.002 2 1 . . . . . 93 L C . 18855 1 418 . 1 1 93 93 LEU CA C 13 55.146 0.028 2 1 . . . . . 93 L CA . 18855 1 419 . 1 1 93 93 LEU CB C 13 41.542 0.014 3 1 . . . . . 93 L CB . 18855 1 420 . 1 1 93 93 LEU N N 15 124.606 0.017 12 1 . . . . . 93 L N . 18855 1 421 . 1 1 94 94 GLY H H 1 8.657 0.021 10 1 . . . . . 94 G HN . 18855 1 422 . 1 1 94 94 GLY C C 13 173.791 0.013 2 1 . . . . . 94 G C . 18855 1 423 . 1 1 94 94 GLY CA C 13 44.858 0.046 3 1 . . . . . 94 G CA . 18855 1 424 . 1 1 94 94 GLY N N 15 109.825 0.100 12 1 . . . . . 94 G N . 18855 1 425 . 1 1 95 95 ASP H H 1 8.375 0.001 8 1 . . . . . 95 D HN . 18855 1 426 . 1 1 95 95 ASP C C 13 176.133 0.008 2 1 . . . . . 95 D C . 18855 1 427 . 1 1 95 95 ASP CA C 13 54.411 0.008 2 1 . . . . . 95 D CA . 18855 1 428 . 1 1 95 95 ASP CB C 13 40.757 0.050 3 1 . . . . . 95 D CB . 18855 1 429 . 1 1 95 95 ASP N N 15 120.765 0.018 10 1 . . . . . 95 D N . 18855 1 430 . 1 1 96 96 TYR H H 1 8.310 0.003 10 1 . . . . . 96 Y HN . 18855 1 431 . 1 1 96 96 TYR C C 13 175.661 0.029 2 1 . . . . . 96 Y C . 18855 1 432 . 1 1 96 96 TYR CA C 13 57.834 0.004 2 1 . . . . . 96 Y CA . 18855 1 433 . 1 1 96 96 TYR CB C 13 38.120 0.060 3 1 . . . . . 96 Y CB . 18855 1 434 . 1 1 96 96 TYR N N 15 120.401 0.076 12 1 . . . . . 96 Y N . 18855 1 435 . 1 1 97 97 LEU H H 1 8.393 0.001 10 1 . . . . . 97 L HN . 18855 1 436 . 1 1 97 97 LEU C C 13 176.868 0.001 2 1 . . . . . 97 L C . 18855 1 437 . 1 1 97 97 LEU CA C 13 54.548 0.086 3 1 . . . . . 97 L CA . 18855 1 438 . 1 1 97 97 LEU CB C 13 41.398 0.029 3 1 . . . . . 97 L CB . 18855 1 439 . 1 1 97 97 LEU N N 15 123.908 0.028 12 1 . . . . . 97 L N . 18855 1 440 . 1 1 98 98 MET H H 1 8.425 0.002 11 1 . . . . . 98 M HN . 18855 1 441 . 1 1 98 98 MET C C 13 175.851 0.006 2 1 . . . . . 98 M C . 18855 1 442 . 1 1 98 98 MET CA C 13 55.103 0.052 3 1 . . . . . 98 M CA . 18855 1 443 . 1 1 98 98 MET CB C 13 32.385 0.044 3 1 . . . . . 98 M CB . 18855 1 444 . 1 1 98 98 MET N N 15 121.209 0.031 13 1 . . . . . 98 M N . 18855 1 445 . 1 1 99 99 PHE H H 1 8.510 0.002 11 1 . . . . . 99 F HN . 18855 1 446 . 1 1 99 99 PHE C C 13 176.072 0.009 2 1 . . . . . 99 F C . 18855 1 447 . 1 1 99 99 PHE CA C 13 57.167 0.041 2 1 . . . . . 99 F CA . 18855 1 448 . 1 1 99 99 PHE CB C 13 39.263 0.012 2 1 . . . . . 99 F CB . 18855 1 449 . 1 1 99 99 PHE N N 15 120.508 0.039 13 1 . . . . . 99 F N . 18855 1 450 . 1 1 100 100 GLY H H 1 8.525 0.001 8 1 . . . . . 100 G HN . 18855 1 451 . 1 1 100 100 GLY C C 13 171.835 0.200 1 1 . . . . . 100 G C . 18855 1 452 . 1 1 100 100 GLY CA C 13 44.345 0.200 1 1 . . . . . 100 G CA . 18855 1 453 . 1 1 100 100 GLY N N 15 109.932 0.022 9 1 . . . . . 100 G N . 18855 1 454 . 1 1 101 101 PRO C C 13 177.231 0.200 1 1 . . . . . 101 P C . 18855 1 455 . 1 1 101 101 PRO CA C 13 63.070 0.144 2 1 . . . . . 101 P CA . 18855 1 456 . 1 1 101 101 PRO CB C 13 31.629 0.127 2 1 . . . . . 101 P CB . 18855 1 457 . 1 1 102 102 GLU H H 1 8.951 0.001 10 1 . . . . . 102 E HN . 18855 1 458 . 1 1 102 102 GLU C C 13 176.995 0.022 2 1 . . . . . 102 E C . 18855 1 459 . 1 1 102 102 GLU CA C 13 56.483 0.177 3 1 . . . . . 102 E CA . 18855 1 460 . 1 1 102 102 GLU CB C 13 29.350 0.064 3 1 . . . . . 102 E CB . 18855 1 461 . 1 1 102 102 GLU N N 15 120.783 0.021 12 1 . . . . . 102 E N . 18855 1 462 . 1 1 103 103 THR H H 1 8.388 0.001 14 1 . . . . . 103 T HN . 18855 1 463 . 1 1 103 103 THR C C 13 174.677 0.016 2 1 . . . . . 103 T C . 18855 1 464 . 1 1 103 103 THR CA C 13 61.718 0.170 3 1 . . . . . 103 T CA . 18855 1 465 . 1 1 103 103 THR CB C 13 69.511 0.092 3 1 . . . . . 103 T CB . 18855 1 466 . 1 1 103 103 THR N N 15 115.640 0.051 18 1 . . . . . 103 T N . 18855 1 467 . 1 1 104 104 ARG H H 1 8.635 0.003 12 1 . . . . . 104 R HN . 18855 1 468 . 1 1 104 104 ARG C C 13 176.749 0.032 2 1 . . . . . 104 R C . 18855 1 469 . 1 1 104 104 ARG CA C 13 55.983 0.047 4 1 . . . . . 104 R CA . 18855 1 470 . 1 1 104 104 ARG CB C 13 30.267 0.047 3 1 . . . . . 104 R CB . 18855 1 471 . 1 1 104 104 ARG N N 15 123.665 0.043 15 1 . . . . . 104 R N . 18855 1 472 . 1 1 105 105 GLY H H 1 8.607 0.002 11 1 . . . . . 105 G HN . 18855 1 473 . 1 1 105 105 GLY C C 13 173.700 0.131 2 1 . . . . . 105 G C . 18855 1 474 . 1 1 105 105 GLY CA C 13 44.861 0.115 3 1 . . . . . 105 G CA . 18855 1 475 . 1 1 105 105 GLY N N 15 110.031 0.064 12 1 . . . . . 105 G N . 18855 1 476 . 1 1 106 106 ILE H H 1 8.275 0.005 9 1 . . . . . 106 I HN . 18855 1 477 . 1 1 106 106 ILE C C 13 176.043 0.200 1 1 . . . . . 106 I C . 18855 1 478 . 1 1 106 106 ILE CA C 13 57.500 0.200 1 1 . . . . . 106 I CA . 18855 1 479 . 1 1 106 106 ILE CB C 13 39.068 0.200 1 1 . . . . . 106 I CB . 18855 1 480 . 1 1 106 106 ILE N N 15 120.327 0.044 9 1 . . . . . 106 I N . 18855 1 481 . 1 1 107 107 PRO C C 13 176.874 0.200 1 1 . . . . . 107 P C . 18855 1 482 . 1 1 107 107 PRO CA C 13 62.693 0.056 2 1 . . . . . 107 P CA . 18855 1 483 . 1 1 107 107 PRO CB C 13 31.399 0.066 2 1 . . . . . 107 P CB . 18855 1 484 . 1 1 108 108 MET H H 1 8.753 0.004 11 1 . . . . . 108 M HN . 18855 1 485 . 1 1 108 108 MET C C 13 176.601 0.022 2 1 . . . . . 108 M C . 18855 1 486 . 1 1 108 108 MET CA C 13 55.592 0.098 3 1 . . . . . 108 M CA . 18855 1 487 . 1 1 108 108 MET CB C 13 32.427 0.027 3 1 . . . . . 108 M CB . 18855 1 488 . 1 1 108 108 MET N N 15 121.599 0.016 13 1 . . . . . 108 M N . 18855 1 489 . 1 1 109 109 SER H H 1 8.648 0.002 12 1 . . . . . 109 S HN . 18855 1 490 . 1 1 109 109 SER C C 13 174.611 0.004 2 1 . . . . . 109 S C . 18855 1 491 . 1 1 109 109 SER CA C 13 58.072 0.087 2 1 . . . . . 109 S CA . 18855 1 492 . 1 1 109 109 SER CB C 13 63.212 0.030 2 1 . . . . . 109 S CB . 18855 1 493 . 1 1 109 109 SER N N 15 117.360 0.031 15 1 . . . . . 109 S N . 18855 1 494 . 1 1 110 110 ILE H H 1 8.438 0.003 11 1 . . . . . 110 I HN . 18855 1 495 . 1 1 110 110 ILE C C 13 176.327 0.012 2 1 . . . . . 110 I C . 18855 1 496 . 1 1 110 110 ILE CA C 13 60.894 0.125 3 1 . . . . . 110 I CA . 18855 1 497 . 1 1 110 110 ILE CB C 13 37.854 0.052 3 1 . . . . . 110 I CB . 18855 1 498 . 1 1 110 110 ILE N N 15 123.201 0.011 14 1 . . . . . 110 I N . 18855 1 499 . 1 1 111 111 LEU H H 1 8.474 0.002 12 1 . . . . . 111 L HN . 18855 1 500 . 1 1 111 111 LEU C C 13 177.150 0.010 2 1 . . . . . 111 L C . 18855 1 501 . 1 1 111 111 LEU CA C 13 54.871 0.163 3 1 . . . . . 111 L CA . 18855 1 502 . 1 1 111 111 LEU CB C 13 41.369 0.028 2 1 . . . . . 111 L CB . 18855 1 503 . 1 1 111 111 LEU N N 15 125.721 0.042 15 1 . . . . . 111 L N . 18855 1 504 . 1 1 112 112 ASN H H 1 8.683 0.001 12 1 . . . . . 112 N HN . 18855 1 505 . 1 1 112 112 ASN C C 13 175.103 0.001 2 1 . . . . . 112 N C . 18855 1 506 . 1 1 112 112 ASN CA C 13 52.852 0.071 2 1 . . . . . 112 N CA . 18855 1 507 . 1 1 112 112 ASN CB C 13 38.441 0.033 3 1 . . . . . 112 N CB . 18855 1 508 . 1 1 112 112 ASN N N 15 119.815 0.018 15 1 . . . . . 112 N N . 18855 1 509 . 1 1 113 113 GLU H H 1 8.500 0.002 11 1 . . . . . 113 E HN . 18855 1 510 . 1 1 113 113 GLU C C 13 176.296 0.002 2 1 . . . . . 113 E C . 18855 1 511 . 1 1 113 113 GLU CA C 13 56.115 0.068 2 1 . . . . . 113 E CA . 18855 1 512 . 1 1 113 113 GLU CB C 13 29.976 0.041 3 1 . . . . . 113 E CB . 18855 1 513 . 1 1 113 113 GLU N N 15 121.141 0.044 14 1 . . . . . 113 E N . 18855 1 514 . 1 1 114 114 MET H H 1 8.682 0.001 11 1 . . . . . 114 M HN . 18855 1 515 . 1 1 114 114 MET C C 13 174.265 0.200 1 1 . . . . . 114 M C . 18855 1 516 . 1 1 114 114 MET CA C 13 53.237 0.200 1 1 . . . . . 114 M CA . 18855 1 517 . 1 1 114 114 MET CB C 13 31.890 0.200 1 1 . . . . . 114 M CB . 18855 1 518 . 1 1 114 114 MET N N 15 122.810 0.016 13 1 . . . . . 114 M N . 18855 1 519 . 1 1 115 115 PRO C C 13 176.956 0.200 1 1 . . . . . 115 P C . 18855 1 520 . 1 1 115 115 PRO CA C 13 62.808 0.200 1 1 . . . . . 115 P CA . 18855 1 521 . 1 1 115 115 PRO CB C 13 31.470 0.200 1 1 . . . . . 115 P CB . 18855 1 522 . 1 1 116 116 MET H H 1 8.768 0.001 4 1 . . . . . 116 M HN . 18855 1 523 . 1 1 116 116 MET C C 13 176.539 0.200 1 1 . . . . . 116 M C . 18855 1 524 . 1 1 116 116 MET CA C 13 55.597 0.200 1 1 . . . . . 116 M CA . 18855 1 525 . 1 1 116 116 MET CB C 13 32.378 0.029 2 1 . . . . . 116 M CB . 18855 1 526 . 1 1 116 116 MET N N 15 121.622 0.013 4 1 . . . . . 116 M N . 18855 1 527 . 1 1 117 117 GLU H H 1 8.785 0.001 10 1 . . . . . 117 E HN . 18855 1 528 . 1 1 117 117 GLU C C 13 176.427 0.044 2 1 . . . . . 117 E C . 18855 1 529 . 1 1 117 117 GLU CA C 13 56.096 0.037 3 1 . . . . . 117 E CA . 18855 1 530 . 1 1 117 117 GLU CB C 13 29.763 0.035 3 1 . . . . . 117 E CB . 18855 1 531 . 1 1 117 117 GLU N N 15 122.646 0.026 11 1 . . . . . 117 E N . 18855 1 532 . 1 1 118 118 GLN H H 1 8.707 0.002 11 1 . . . . . 118 Q HN . 18855 1 533 . 1 1 118 118 GLN C C 13 175.993 0.001 2 1 . . . . . 118 Q C . 18855 1 534 . 1 1 118 118 GLN CA C 13 55.293 0.125 3 1 . . . . . 118 Q CA . 18855 1 535 . 1 1 118 118 GLN CB C 13 29.020 0.038 2 1 . . . . . 118 Q CB . 18855 1 536 . 1 1 118 118 GLN N N 15 122.324 0.034 11 1 . . . . . 118 Q N . 18855 1 537 . 1 1 119 119 LYS H H 1 8.638 0.002 10 1 . . . . . 119 K HN . 18855 1 538 . 1 1 119 119 LYS C C 13 176.627 0.031 2 1 . . . . . 119 K C . 18855 1 539 . 1 1 119 119 LYS CA C 13 56.145 0.049 2 1 . . . . . 119 K CA . 18855 1 540 . 1 1 119 119 LYS CB C 13 32.236 0.051 2 1 . . . . . 119 K CB . 18855 1 541 . 1 1 119 119 LYS N N 15 123.645 0.042 11 1 . . . . . 119 K N . 18855 1 542 . 1 1 120 120 ILE H H 1 8.533 0.001 9 1 . . . . . 120 I HN . 18855 1 543 . 1 1 120 120 ILE C C 13 176.147 0.200 1 1 . . . . . 120 I C . 18855 1 544 . 1 1 120 120 ILE CA C 13 60.657 0.032 2 1 . . . . . 120 I CA . 18855 1 545 . 1 1 120 120 ILE CB C 13 37.991 0.200 1 1 . . . . . 120 I CB . 18855 1 546 . 1 1 120 120 ILE N N 15 123.027 0.027 11 1 . . . . . 120 I N . 18855 1 547 . 1 1 121 121 ARG H H 1 8.730 0.009 4 1 . . . . . 121 R HN . 18855 1 548 . 1 1 121 121 ARG C C 13 176.044 0.200 1 1 . . . . . 121 R C . 18855 1 549 . 1 1 121 121 ARG CA C 13 55.331 0.200 1 1 . . . . . 121 R CA . 18855 1 550 . 1 1 121 121 ARG CB C 13 29.983 0.015 2 1 . . . . . 121 R CB . 18855 1 551 . 1 1 121 121 ARG N N 15 126.590 0.076 6 1 . . . . . 121 R N . 18855 1 552 . 1 1 122 122 ILE H H 1 8.620 0.001 9 1 . . . . . 122 I HN . 18855 1 553 . 1 1 122 122 ILE C C 13 174.636 0.200 1 1 . . . . . 122 I C . 18855 1 554 . 1 1 122 122 ILE CA C 13 58.309 0.200 1 1 . . . . . 122 I CA . 18855 1 555 . 1 1 122 122 ILE CB C 13 37.675 0.200 1 1 . . . . . 122 I CB . 18855 1 556 . 1 1 122 122 ILE N N 15 125.026 0.025 10 1 . . . . . 122 I N . 18855 1 557 . 1 1 124 124 MET H H 1 8.768 0.003 5 1 . . . . . 124 M HN . 18855 1 558 . 1 1 124 124 MET C C 13 176.620 0.048 2 1 . . . . . 124 M C . 18855 1 559 . 1 1 124 124 MET CA C 13 55.600 0.018 2 1 . . . . . 124 M CA . 18855 1 560 . 1 1 124 124 MET CB C 13 32.387 0.107 3 1 . . . . . 124 M CB . 18855 1 561 . 1 1 124 124 MET N N 15 121.618 0.016 6 1 . . . . . 124 M N . 18855 1 562 . 1 1 125 125 THR H H 1 8.402 0.001 11 1 . . . . . 125 T HN . 18855 1 563 . 1 1 125 125 THR C C 13 174.485 0.002 2 1 . . . . . 125 T C . 18855 1 564 . 1 1 125 125 THR CA C 13 61.350 0.031 3 1 . . . . . 125 T CA . 18855 1 565 . 1 1 125 125 THR CB C 13 69.728 0.008 3 1 . . . . . 125 T CB . 18855 1 566 . 1 1 125 125 THR N N 15 115.183 0.025 14 1 . . . . . 125 T N . 18855 1 567 . 1 1 126 126 ALA H H 1 8.612 0.002 11 1 . . . . . 126 A HN . 18855 1 568 . 1 1 126 126 ALA C C 13 177.570 0.200 1 1 . . . . . 126 A C . 18855 1 569 . 1 1 126 126 ALA CA C 13 52.530 0.042 3 1 . . . . . 126 A CA . 18855 1 570 . 1 1 126 126 ALA CB C 13 18.616 0.071 2 1 . . . . . 126 A CB . 18855 1 571 . 1 1 126 126 ALA N N 15 126.073 0.016 13 1 . . . . . 126 A N . 18855 1 572 . 1 1 127 127 ASN H H 1 8.643 0.001 9 1 . . . . . 127 N HN . 18855 1 573 . 1 1 127 127 ASN C C 13 175.570 0.009 3 1 . . . . . 127 N C . 18855 1 574 . 1 1 127 127 ASN CA C 13 52.966 0.114 3 1 . . . . . 127 N CA . 18855 1 575 . 1 1 127 127 ASN CB C 13 38.373 0.057 3 1 . . . . . 127 N CB . 18855 1 576 . 1 1 127 127 ASN N N 15 118.079 0.015 10 1 . . . . . 127 N N . 18855 1 577 . 1 1 128 128 SER H H 1 8.493 0.049 12 1 . . . . . 128 S HN . 18855 1 578 . 1 1 128 128 SER C C 13 174.729 0.010 2 1 . . . . . 128 S C . 18855 1 579 . 1 1 128 128 SER CA C 13 58.349 0.214 3 1 . . . . . 128 S CA . 18855 1 580 . 1 1 128 128 SER CB C 13 63.257 0.023 3 1 . . . . . 128 S CB . 18855 1 581 . 1 1 128 128 SER N N 15 116.596 0.047 12 1 . . . . . 128 S N . 18855 1 582 . 1 1 129 129 ARG H H 1 8.601 0.035 8 1 . . . . . 129 R HN . 18855 1 583 . 1 1 129 129 ARG C C 13 176.560 0.022 2 1 . . . . . 129 R C . 18855 1 584 . 1 1 129 129 ARG CA C 13 56.174 0.040 3 1 . . . . . 129 R CA . 18855 1 585 . 1 1 129 129 ARG CB C 13 29.803 0.135 3 1 . . . . . 129 R CB . 18855 1 586 . 1 1 129 129 ARG N N 15 122.723 0.095 9 1 . . . . . 129 R N . 18855 1 587 . 1 1 130 130 SER H H 1 8.548 0.008 14 1 . . . . . 130 S HN . 18855 1 588 . 1 1 130 130 SER C C 13 174.779 0.012 2 1 . . . . . 130 S C . 18855 1 589 . 1 1 130 130 SER CA C 13 58.288 0.032 2 1 . . . . . 130 S CA . 18855 1 590 . 1 1 130 130 SER CB C 13 63.212 0.018 2 1 . . . . . 130 S CB . 18855 1 591 . 1 1 130 130 SER N N 15 116.738 0.126 17 1 . . . . . 130 S N . 18855 1 592 . 1 1 131 131 MET H H 1 8.642 0.002 5 1 . . . . . 131 M HN . 18855 1 593 . 1 1 131 131 MET C C 13 175.905 0.004 2 1 . . . . . 131 M C . 18855 1 594 . 1 1 131 131 MET CA C 13 55.150 0.042 2 1 . . . . . 131 M CA . 18855 1 595 . 1 1 131 131 MET CB C 13 32.203 0.041 2 1 . . . . . 131 M CB . 18855 1 596 . 1 1 131 131 MET N N 15 122.428 0.113 7 1 . . . . . 131 M N . 18855 1 597 . 1 1 132 132 ASN H H 1 8.711 0.001 11 1 . . . . . 132 N HN . 18855 1 598 . 1 1 132 132 ASN C C 13 175.358 0.013 2 1 . . . . . 132 N C . 18855 1 599 . 1 1 132 132 ASN CA C 13 53.081 0.060 2 1 . . . . . 132 N CA . 18855 1 600 . 1 1 132 132 ASN CB C 13 38.214 0.033 3 1 . . . . . 132 N CB . 18855 1 601 . 1 1 132 132 ASN N N 15 120.074 0.027 13 1 . . . . . 132 N N . 18855 1 602 . 1 1 133 133 LEU H H 1 8.564 0.001 10 1 . . . . . 133 L HN . 18855 1 603 . 1 1 133 133 LEU C C 13 177.675 0.200 2 1 . . . . . 133 L C . 18855 1 604 . 1 1 133 133 LEU CA C 13 54.824 0.090 3 1 . . . . . 133 L CA . 18855 1 605 . 1 1 133 133 LEU CB C 13 41.388 0.061 3 1 . . . . . 133 L CB . 18855 1 606 . 1 1 133 133 LEU N N 15 123.298 0.028 12 1 . . . . . 133 L N . 18855 1 607 . 1 1 134 134 SER H H 1 8.578 0.001 12 1 . . . . . 134 S HN . 18855 1 608 . 1 1 134 134 SER C C 13 174.599 0.011 2 1 . . . . . 134 S C . 18855 1 609 . 1 1 134 134 SER CA C 13 58.369 0.019 3 1 . . . . . 134 S CA . 18855 1 610 . 1 1 134 134 SER CB C 13 63.222 0.044 3 1 . . . . . 134 S CB . 18855 1 611 . 1 1 134 134 SER N N 15 116.234 0.027 15 1 . . . . . 134 S N . 18855 1 612 . 1 1 135 135 ASN H H 1 8.664 0.002 11 1 . . . . . 135 N HN . 18855 1 613 . 1 1 135 135 ASN C C 13 175.322 0.017 2 1 . . . . . 135 N C . 18855 1 614 . 1 1 135 135 ASN CA C 13 53.025 0.092 3 1 . . . . . 135 N CA . 18855 1 615 . 1 1 135 135 ASN CB C 13 38.399 0.090 3 1 . . . . . 135 N CB . 18855 1 616 . 1 1 135 135 ASN N N 15 120.828 0.028 12 1 . . . . . 135 N N . 18855 1 617 . 1 1 136 136 SER H H 1 8.443 0.002 12 1 . . . . . 136 S HN . 18855 1 618 . 1 1 136 136 SER C C 13 174.486 0.001 2 1 . . . . . 136 S C . 18855 1 619 . 1 1 136 136 SER CA C 13 58.150 0.142 3 1 . . . . . 136 S CA . 18855 1 620 . 1 1 136 136 SER CB C 13 63.280 0.044 3 1 . . . . . 136 S CB . 18855 1 621 . 1 1 136 136 SER N N 15 116.049 0.016 15 1 . . . . . 136 S N . 18855 1 622 . 1 1 137 137 VAL H H 1 8.336 0.002 11 1 . . . . . 137 V HN . 18855 1 623 . 1 1 137 137 VAL C C 13 175.863 0.005 2 1 . . . . . 137 V C . 18855 1 624 . 1 1 137 137 VAL CA C 13 61.713 0.132 3 1 . . . . . 137 V CA . 18855 1 625 . 1 1 137 137 VAL CB C 13 32.120 0.016 3 1 . . . . . 137 V CB . 18855 1 626 . 1 1 137 137 VAL N N 15 121.699 0.081 13 1 . . . . . 137 V N . 18855 1 627 . 1 1 138 138 ALA H H 1 8.530 0.001 11 1 . . . . . 138 A HN . 18855 1 628 . 1 1 138 138 ALA C C 13 177.639 0.005 2 1 . . . . . 138 A C . 18855 1 629 . 1 1 138 138 ALA CA C 13 52.139 0.108 3 1 . . . . . 138 A CA . 18855 1 630 . 1 1 138 138 ALA CB C 13 18.569 0.081 3 1 . . . . . 138 A CB . 18855 1 631 . 1 1 138 138 ALA N N 15 127.814 0.024 13 1 . . . . . 138 A N . 18855 1 632 . 1 1 139 139 VAL H H 1 8.378 0.001 12 1 . . . . . 139 V HN . 18855 1 633 . 1 1 139 139 VAL C C 13 176.440 0.015 2 1 . . . . . 139 V C . 18855 1 634 . 1 1 139 139 VAL CA C 13 61.780 0.039 3 1 . . . . . 139 V CA . 18855 1 635 . 1 1 139 139 VAL CB C 13 32.203 0.025 4 1 . . . . . 139 V CB . 18855 1 636 . 1 1 139 139 VAL N N 15 120.169 0.029 15 1 . . . . . 139 V N . 18855 1 637 . 1 1 140 140 THR H H 1 8.487 0.001 14 1 . . . . . 140 T HN . 18855 1 638 . 1 1 140 140 THR C C 13 174.265 0.005 2 1 . . . . . 140 T C . 18855 1 639 . 1 1 140 140 THR CA C 13 61.764 0.118 4 1 . . . . . 140 T CA . 18855 1 640 . 1 1 140 140 THR CB C 13 69.545 0.088 3 1 . . . . . 140 T CB . 18855 1 641 . 1 1 140 140 THR N N 15 119.218 0.032 17 1 . . . . . 140 T N . 18855 1 642 . 1 1 141 141 VAL H H 1 8.434 0.002 10 1 . . . . . 141 V HN . 18855 1 643 . 1 1 141 141 VAL C C 13 175.769 0.017 2 1 . . . . . 141 V C . 18855 1 644 . 1 1 141 141 VAL CA C 13 61.668 0.033 3 1 . . . . . 141 V CA . 18855 1 645 . 1 1 141 141 VAL CB C 13 32.178 0.009 2 1 . . . . . 141 V CB . 18855 1 646 . 1 1 141 141 VAL N N 15 123.431 0.024 12 1 . . . . . 141 V N . 18855 1 647 . 1 1 142 142 TYR H H 1 8.549 0.002 10 1 . . . . . 142 Y HN . 18855 1 648 . 1 1 142 142 TYR C C 13 175.815 0.009 2 1 . . . . . 142 Y C . 18855 1 649 . 1 1 142 142 TYR CA C 13 57.708 0.200 1 1 . . . . . 142 Y CA . 18855 1 650 . 1 1 142 142 TYR CB C 13 38.477 0.230 2 1 . . . . . 142 Y CB . 18855 1 651 . 1 1 142 142 TYR N N 15 124.976 0.152 12 1 . . . . . 142 Y N . 18855 1 652 . 1 1 143 143 GLU H H 1 8.593 0.001 9 1 . . . . . 143 E HN . 18855 1 653 . 1 1 143 143 GLU C C 13 176.306 0.006 2 1 . . . . . 143 E C . 18855 1 654 . 1 1 143 143 GLU CA C 13 55.594 0.056 3 1 . . . . . 143 E CA . 18855 1 655 . 1 1 143 143 GLU CB C 13 29.554 0.103 3 1 . . . . . 143 E CB . 18855 1 656 . 1 1 143 143 GLU N N 15 123.726 0.031 11 1 . . . . . 143 E N . 18855 1 657 . 1 1 144 144 ALA H H 1 8.492 0.001 11 1 . . . . . 144 A HN . 18855 1 658 . 1 1 144 144 ALA C C 13 177.934 0.004 2 1 . . . . . 144 A C . 18855 1 659 . 1 1 144 144 ALA CA C 13 53.273 0.053 2 1 . . . . . 144 A CA . 18855 1 660 . 1 1 144 144 ALA CB C 13 18.154 0.059 2 1 . . . . . 144 A CB . 18855 1 661 . 1 1 144 144 ALA N N 15 125.507 0.026 12 1 . . . . . 144 A N . 18855 1 662 . 1 1 145 145 TRP H H 1 8.006 0.001 10 1 . . . . . 145 W HN . 18855 1 663 . 1 1 145 145 TRP C C 13 176.560 0.002 2 1 . . . . . 145 W C . 18855 1 664 . 1 1 145 145 TRP CA C 13 56.878 0.017 3 1 . . . . . 145 W CA . 18855 1 665 . 1 1 145 145 TRP CB C 13 28.255 0.044 3 1 . . . . . 145 W CB . 18855 1 666 . 1 1 145 145 TRP N N 15 117.915 0.014 13 1 . . . . . 145 W N . 18855 1 667 . 1 1 146 146 ARG H H 1 7.808 0.001 10 1 . . . . . 146 R HN . 18855 1 668 . 1 1 146 146 ARG C C 13 176.123 0.200 2 1 . . . . . 146 R C . 18855 1 669 . 1 1 146 146 ARG CA C 13 56.040 0.011 2 1 . . . . . 146 R CA . 18855 1 670 . 1 1 146 146 ARG CB C 13 29.924 0.006 3 1 . . . . . 146 R CB . 18855 1 671 . 1 1 146 146 ARG N N 15 122.329 0.021 11 1 . . . . . 146 R N . 18855 1 672 . 1 1 147 147 GLN H H 1 8.290 0.002 9 1 . . . . . 147 Q HN . 18855 1 673 . 1 1 147 147 GLN C C 13 176.286 0.026 2 1 . . . . . 147 Q C . 18855 1 674 . 1 1 147 147 GLN CA C 13 55.659 0.253 2 1 . . . . . 147 Q CA . 18855 1 675 . 1 1 147 147 GLN CB C 13 29.178 0.625 2 1 . . . . . 147 Q CB . 18855 1 676 . 1 1 147 147 GLN N N 15 120.794 0.013 9 1 . . . . . 147 Q N . 18855 1 677 . 1 1 148 148 LEU H H 1 8.493 0.001 8 1 . . . . . 148 L HN . 18855 1 678 . 1 1 148 148 LEU C C 13 177.996 0.019 2 1 . . . . . 148 L C . 18855 1 679 . 1 1 148 148 LEU CA C 13 55.192 0.113 2 1 . . . . . 148 L CA . 18855 1 680 . 1 1 148 148 LEU CB C 13 41.433 0.200 1 1 . . . . . 148 L CB . 18855 1 681 . 1 1 148 148 LEU N N 15 123.629 0.040 9 1 . . . . . 148 L N . 18855 1 682 . 1 1 149 149 GLY H H 1 8.594 0.001 7 1 . . . . . 149 G HN . 18855 1 683 . 1 1 149 149 GLY C C 13 173.820 0.035 2 1 . . . . . 149 G C . 18855 1 684 . 1 1 149 149 GLY CA C 13 44.854 0.018 2 1 . . . . . 149 G CA . 18855 1 685 . 1 1 149 149 GLY N N 15 109.497 0.034 10 1 . . . . . 149 G N . 18855 1 686 . 1 1 150 150 TYR H H 1 8.269 0.002 10 1 . . . . . 150 Y HN . 18855 1 687 . 1 1 150 150 TYR C C 13 176.007 0.001 2 1 . . . . . 150 Y C . 18855 1 688 . 1 1 150 150 TYR CA C 13 57.750 0.208 3 1 . . . . . 150 Y CA . 18855 1 689 . 1 1 150 150 TYR CB C 13 38.369 0.110 3 1 . . . . . 150 Y CB . 18855 1 690 . 1 1 150 150 TYR N N 15 120.794 0.022 13 1 . . . . . 150 Y N . 18855 1 691 . 1 1 151 151 LYS H H 1 8.593 0.002 11 1 . . . . . 151 K HN . 18855 1 692 . 1 1 151 151 LYS C C 13 176.488 0.002 2 1 . . . . . 151 K C . 18855 1 693 . 1 1 151 151 LYS CA C 13 56.095 0.020 3 1 . . . . . 151 K CA . 18855 1 694 . 1 1 151 151 LYS CB C 13 32.339 0.048 3 1 . . . . . 151 K CB . 18855 1 695 . 1 1 151 151 LYS N N 15 125.123 0.025 12 1 . . . . . 151 K N . 18855 1 696 . 1 1 152 152 GLY H H 1 7.829 0.001 11 1 . . . . . 152 G HN . 18855 1 697 . 1 1 152 152 GLY C C 13 173.348 0.006 2 1 . . . . . 152 G C . 18855 1 698 . 1 1 152 152 GLY CA C 13 44.647 0.001 2 1 . . . . . 152 G CA . 18855 1 699 . 1 1 152 152 GLY N N 15 109.277 0.015 14 1 . . . . . 152 G N . 18855 1 700 . 1 1 153 153 ALA H H 1 8.365 0.000 9 1 . . . . . 153 A HN . 18855 1 701 . 1 1 153 153 ALA C C 13 177.834 0.005 2 1 . . . . . 153 A C . 18855 1 702 . 1 1 153 153 ALA CA C 13 52.189 0.053 3 1 . . . . . 153 A CA . 18855 1 703 . 1 1 153 153 ALA CB C 13 18.885 0.133 3 1 . . . . . 153 A CB . 18855 1 704 . 1 1 153 153 ALA N N 15 123.556 0.014 11 1 . . . . . 153 A N . 18855 1 705 . 1 1 154 154 VAL H H 1 8.385 0.001 12 1 . . . . . 154 V HN . 18855 1 706 . 1 1 154 154 VAL C C 13 175.772 0.009 2 1 . . . . . 154 V C . 18855 1 707 . 1 1 154 154 VAL CA C 13 61.775 0.001 2 1 . . . . . 154 V CA . 18855 1 708 . 1 1 154 154 VAL CB C 13 32.249 0.098 2 1 . . . . . 154 V CB . 18855 1 709 . 1 1 154 154 VAL N N 15 119.270 0.013 14 1 . . . . . 154 V N . 18855 1 710 . 1 1 155 155 ASN H H 1 8.719 0.002 9 1 . . . . . 155 N HN . 18855 1 711 . 1 1 155 155 ASN C C 13 174.797 0.007 2 1 . . . . . 155 N C . 18855 1 712 . 1 1 155 155 ASN CA C 13 52.723 0.129 3 1 . . . . . 155 N CA . 18855 1 713 . 1 1 155 155 ASN CB C 13 38.447 0.051 3 1 . . . . . 155 N CB . 18855 1 714 . 1 1 155 155 ASN N N 15 122.625 0.028 10 1 . . . . . 155 N N . 18855 1 715 . 1 1 156 156 LEU H H 1 8.542 0.002 11 1 . . . . . 156 L HN . 18855 1 716 . 1 1 156 156 LEU C C 13 174.639 0.200 1 1 . . . . . 156 L C . 18855 1 717 . 1 1 156 156 LEU CA C 13 54.420 0.200 1 1 . . . . . 156 L CA . 18855 1 718 . 1 1 156 156 LEU N N 15 123.987 0.064 13 1 . . . . . 156 L N . 18855 1 719 . 1 1 157 157 PRO C C 13 176.651 0.200 1 1 . . . . . 157 P C . 18855 1 720 . 1 1 157 157 PRO CA C 13 62.735 0.200 1 1 . . . . . 157 P CA . 18855 1 721 . 1 1 157 157 PRO CB C 13 31.312 0.200 1 1 . . . . . 157 P CB . 18855 1 722 . 1 1 158 158 GLU H H 1 8.714 0.001 7 1 . . . . . 158 E HN . 18855 1 723 . 1 1 158 158 GLU C C 13 176.483 0.200 2 1 . . . . . 158 E C . 18855 1 724 . 1 1 158 158 GLU CA C 13 56.246 0.030 2 1 . . . . . 158 E CA . 18855 1 725 . 1 1 158 158 GLU CB C 13 29.970 0.086 2 1 . . . . . 158 E CB . 18855 1 726 . 1 1 158 158 GLU N N 15 121.688 0.050 7 1 . . . . . 158 E N . 18855 1 727 . 1 1 159 159 VAL H H 1 8.527 0.001 9 1 . . . . . 159 V HN . 18855 1 728 . 1 1 159 159 VAL C C 13 175.391 0.200 2 1 . . . . . 159 V C . 18855 1 729 . 1 1 159 159 VAL CA C 13 62.130 0.079 2 1 . . . . . 159 V CA . 18855 1 730 . 1 1 159 159 VAL CB C 13 31.979 0.064 2 1 . . . . . 159 V CB . 18855 1 731 . 1 1 159 159 VAL N N 15 123.257 0.040 10 1 . . . . . 159 V N . 18855 1 732 . 1 1 160 160 LYS H H 1 8.309 0.001 9 1 . . . . . 160 K HN . 18855 1 733 . 1 1 160 160 LYS C C 13 181.530 0.200 1 1 . . . . . 160 K C . 18855 1 734 . 1 1 160 160 LYS CA C 13 57.694 0.200 1 1 . . . . . 160 K CA . 18855 1 735 . 1 1 160 160 LYS CB C 13 33.077 0.200 1 1 . . . . . 160 K CB . 18855 1 736 . 1 1 160 160 LYS N N 15 131.057 0.022 11 1 . . . . . 160 K N . 18855 1 stop_ save_