data_27191 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27191 _Entry.Title ; ProXp-ala bound to microhelixPro ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-21 _Entry.Accession_date 2017-07-21 _Entry.Last_release_date 2017-07-21 _Entry.Original_release_date 2017-07-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . 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 Eric Danhart . . . . 27191 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27191 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27191 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 451 27191 '15N chemical shifts' 152 27191 '1H chemical shifts' 152 27191 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 . . 2017-11-02 2017-07-21 update BMRB 'update entry citation' 27191 1 . . 2017-08-21 2017-07-21 original author 'original release' 27191 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27185 'ProXp-ala free form' 27191 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27191 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1703925114 _Citation.PubMed_ID 28768811 _Citation.Full_citation . _Citation.Title ; Conformational and chemical selection by a trans-acting editing domain. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 114 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 E6774 _Citation.Page_last E6783 _Citation.Year 2017 _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 Eric Danhart E. M. . . 27191 1 2 Marina Bakhtina M. . . . 27191 1 3 William Cantara W. A. . . 27191 1 4 Alexandra Kuzmishin A. B. . . 27191 1 5 Xiao Ma X. . . . 27191 1 6 Brianne Sanford B. L. . . 27191 1 7 Marija Kosutic M. . . . 27191 1 8 Yuki Goto Y. . . . 27191 1 9 Hiroaki Suga H. . . . 27191 1 10 Kotaro Nakanishi K. . . . 27191 1 11 Ronald Micura R. . . . 27191 1 12 Mark Foster M. P. . . 27191 1 13 Karin Musier-Forsyth K. . . . 27191 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27191 1 'aminoacyl-tRNA synthetases' 27191 1 'conformational selection' 27191 1 'molecular dynamics' 27191 1 trans-editing 27191 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27191 _Assembly.ID 1 _Assembly.Name 'ProXp-ala bound to microhelixPro' _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 ProXp-ala 1 $ProXp-ala A . yes native no no . . . 27191 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ProXp-ala _Entity.Sf_category entity _Entity.Sf_framecode ProXp-ala _Entity.Entry_ID 27191 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ProXp-ala _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 ; GSHMKTRADLFAFFDAHGVD HKTLDHPPVFRVEEGLEIKA AMPGGHTKNLFLKDAKGQLW LISALGETTIDLKKLHHVIG SGRLSFGPQEMMLETLGVTP GSVTAFGLINDTEKRVRFVL DKALADSDPVNFHPLKNDAT TAVSQAGLRRFLAALGVEPM IVDFAAMEVVG ; _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 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 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 -2 GLY . 27191 1 2 -1 SER . 27191 1 3 0 HIS . 27191 1 4 1 MET . 27191 1 5 2 LYS . 27191 1 6 3 THR . 27191 1 7 4 ARG . 27191 1 8 5 ALA . 27191 1 9 6 ASP . 27191 1 10 7 LEU . 27191 1 11 8 PHE . 27191 1 12 9 ALA . 27191 1 13 10 PHE . 27191 1 14 11 PHE . 27191 1 15 12 ASP . 27191 1 16 13 ALA . 27191 1 17 14 HIS . 27191 1 18 15 GLY . 27191 1 19 16 VAL . 27191 1 20 17 ASP . 27191 1 21 18 HIS . 27191 1 22 19 LYS . 27191 1 23 20 THR . 27191 1 24 21 LEU . 27191 1 25 22 ASP . 27191 1 26 23 HIS . 27191 1 27 24 PRO . 27191 1 28 25 PRO . 27191 1 29 26 VAL . 27191 1 30 27 PHE . 27191 1 31 28 ARG . 27191 1 32 29 VAL . 27191 1 33 30 GLU . 27191 1 34 31 GLU . 27191 1 35 32 GLY . 27191 1 36 33 LEU . 27191 1 37 34 GLU . 27191 1 38 35 ILE . 27191 1 39 36 LYS . 27191 1 40 37 ALA . 27191 1 41 38 ALA . 27191 1 42 39 MET . 27191 1 43 40 PRO . 27191 1 44 41 GLY . 27191 1 45 42 GLY . 27191 1 46 43 HIS . 27191 1 47 44 THR . 27191 1 48 45 LYS . 27191 1 49 46 ASN . 27191 1 50 47 LEU . 27191 1 51 48 PHE . 27191 1 52 49 LEU . 27191 1 53 50 LYS . 27191 1 54 51 ASP . 27191 1 55 52 ALA . 27191 1 56 53 LYS . 27191 1 57 54 GLY . 27191 1 58 55 GLN . 27191 1 59 56 LEU . 27191 1 60 57 TRP . 27191 1 61 58 LEU . 27191 1 62 59 ILE . 27191 1 63 60 SER . 27191 1 64 61 ALA . 27191 1 65 62 LEU . 27191 1 66 63 GLY . 27191 1 67 64 GLU . 27191 1 68 65 THR . 27191 1 69 66 THR . 27191 1 70 67 ILE . 27191 1 71 68 ASP . 27191 1 72 69 LEU . 27191 1 73 70 LYS . 27191 1 74 71 LYS . 27191 1 75 72 LEU . 27191 1 76 73 HIS . 27191 1 77 74 HIS . 27191 1 78 75 VAL . 27191 1 79 76 ILE . 27191 1 80 77 GLY . 27191 1 81 78 SER . 27191 1 82 79 GLY . 27191 1 83 80 ARG . 27191 1 84 81 LEU . 27191 1 85 82 SER . 27191 1 86 83 PHE . 27191 1 87 84 GLY . 27191 1 88 85 PRO . 27191 1 89 86 GLN . 27191 1 90 87 GLU . 27191 1 91 88 MET . 27191 1 92 89 MET . 27191 1 93 90 LEU . 27191 1 94 91 GLU . 27191 1 95 92 THR . 27191 1 96 93 LEU . 27191 1 97 94 GLY . 27191 1 98 95 VAL . 27191 1 99 96 THR . 27191 1 100 97 PRO . 27191 1 101 98 GLY . 27191 1 102 99 SER . 27191 1 103 100 VAL . 27191 1 104 101 THR . 27191 1 105 102 ALA . 27191 1 106 103 PHE . 27191 1 107 104 GLY . 27191 1 108 105 LEU . 27191 1 109 106 ILE . 27191 1 110 107 ASN . 27191 1 111 108 ASP . 27191 1 112 109 THR . 27191 1 113 110 GLU . 27191 1 114 111 LYS . 27191 1 115 112 ARG . 27191 1 116 113 VAL . 27191 1 117 114 ARG . 27191 1 118 115 PHE . 27191 1 119 116 VAL . 27191 1 120 117 LEU . 27191 1 121 118 ASP . 27191 1 122 119 LYS . 27191 1 123 120 ALA . 27191 1 124 121 LEU . 27191 1 125 122 ALA . 27191 1 126 123 ASP . 27191 1 127 124 SER . 27191 1 128 125 ASP . 27191 1 129 126 PRO . 27191 1 130 127 VAL . 27191 1 131 128 ASN . 27191 1 132 129 PHE . 27191 1 133 130 HIS . 27191 1 134 131 PRO . 27191 1 135 132 LEU . 27191 1 136 133 LYS . 27191 1 137 134 ASN . 27191 1 138 135 ASP . 27191 1 139 136 ALA . 27191 1 140 137 THR . 27191 1 141 138 THR . 27191 1 142 139 ALA . 27191 1 143 140 VAL . 27191 1 144 141 SER . 27191 1 145 142 GLN . 27191 1 146 143 ALA . 27191 1 147 144 GLY . 27191 1 148 145 LEU . 27191 1 149 146 ARG . 27191 1 150 147 ARG . 27191 1 151 148 PHE . 27191 1 152 149 LEU . 27191 1 153 150 ALA . 27191 1 154 151 ALA . 27191 1 155 152 LEU . 27191 1 156 153 GLY . 27191 1 157 154 VAL . 27191 1 158 155 GLU . 27191 1 159 156 PRO . 27191 1 160 157 MET . 27191 1 161 158 ILE . 27191 1 162 159 VAL . 27191 1 163 160 ASP . 27191 1 164 161 PHE . 27191 1 165 162 ALA . 27191 1 166 163 ALA . 27191 1 167 164 MET . 27191 1 168 165 GLU . 27191 1 169 166 VAL . 27191 1 170 167 VAL . 27191 1 171 168 GLY . 27191 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27191 1 . SER 2 2 27191 1 . HIS 3 3 27191 1 . MET 4 4 27191 1 . LYS 5 5 27191 1 . THR 6 6 27191 1 . ARG 7 7 27191 1 . ALA 8 8 27191 1 . ASP 9 9 27191 1 . LEU 10 10 27191 1 . PHE 11 11 27191 1 . ALA 12 12 27191 1 . PHE 13 13 27191 1 . PHE 14 14 27191 1 . ASP 15 15 27191 1 . ALA 16 16 27191 1 . HIS 17 17 27191 1 . GLY 18 18 27191 1 . VAL 19 19 27191 1 . ASP 20 20 27191 1 . HIS 21 21 27191 1 . LYS 22 22 27191 1 . THR 23 23 27191 1 . LEU 24 24 27191 1 . ASP 25 25 27191 1 . HIS 26 26 27191 1 . PRO 27 27 27191 1 . PRO 28 28 27191 1 . VAL 29 29 27191 1 . PHE 30 30 27191 1 . ARG 31 31 27191 1 . VAL 32 32 27191 1 . GLU 33 33 27191 1 . GLU 34 34 27191 1 . GLY 35 35 27191 1 . LEU 36 36 27191 1 . GLU 37 37 27191 1 . ILE 38 38 27191 1 . LYS 39 39 27191 1 . ALA 40 40 27191 1 . ALA 41 41 27191 1 . MET 42 42 27191 1 . PRO 43 43 27191 1 . GLY 44 44 27191 1 . GLY 45 45 27191 1 . HIS 46 46 27191 1 . THR 47 47 27191 1 . LYS 48 48 27191 1 . ASN 49 49 27191 1 . LEU 50 50 27191 1 . PHE 51 51 27191 1 . LEU 52 52 27191 1 . LYS 53 53 27191 1 . ASP 54 54 27191 1 . ALA 55 55 27191 1 . LYS 56 56 27191 1 . GLY 57 57 27191 1 . GLN 58 58 27191 1 . LEU 59 59 27191 1 . TRP 60 60 27191 1 . LEU 61 61 27191 1 . ILE 62 62 27191 1 . SER 63 63 27191 1 . ALA 64 64 27191 1 . LEU 65 65 27191 1 . GLY 66 66 27191 1 . GLU 67 67 27191 1 . THR 68 68 27191 1 . THR 69 69 27191 1 . ILE 70 70 27191 1 . ASP 71 71 27191 1 . LEU 72 72 27191 1 . LYS 73 73 27191 1 . LYS 74 74 27191 1 . LEU 75 75 27191 1 . HIS 76 76 27191 1 . HIS 77 77 27191 1 . VAL 78 78 27191 1 . ILE 79 79 27191 1 . GLY 80 80 27191 1 . SER 81 81 27191 1 . GLY 82 82 27191 1 . ARG 83 83 27191 1 . LEU 84 84 27191 1 . SER 85 85 27191 1 . PHE 86 86 27191 1 . GLY 87 87 27191 1 . PRO 88 88 27191 1 . GLN 89 89 27191 1 . GLU 90 90 27191 1 . MET 91 91 27191 1 . MET 92 92 27191 1 . LEU 93 93 27191 1 . GLU 94 94 27191 1 . THR 95 95 27191 1 . LEU 96 96 27191 1 . GLY 97 97 27191 1 . VAL 98 98 27191 1 . THR 99 99 27191 1 . PRO 100 100 27191 1 . GLY 101 101 27191 1 . SER 102 102 27191 1 . VAL 103 103 27191 1 . THR 104 104 27191 1 . ALA 105 105 27191 1 . PHE 106 106 27191 1 . GLY 107 107 27191 1 . LEU 108 108 27191 1 . ILE 109 109 27191 1 . ASN 110 110 27191 1 . ASP 111 111 27191 1 . THR 112 112 27191 1 . GLU 113 113 27191 1 . LYS 114 114 27191 1 . ARG 115 115 27191 1 . VAL 116 116 27191 1 . ARG 117 117 27191 1 . PHE 118 118 27191 1 . VAL 119 119 27191 1 . LEU 120 120 27191 1 . ASP 121 121 27191 1 . LYS 122 122 27191 1 . ALA 123 123 27191 1 . LEU 124 124 27191 1 . ALA 125 125 27191 1 . ASP 126 126 27191 1 . SER 127 127 27191 1 . ASP 128 128 27191 1 . PRO 129 129 27191 1 . VAL 130 130 27191 1 . ASN 131 131 27191 1 . PHE 132 132 27191 1 . HIS 133 133 27191 1 . PRO 134 134 27191 1 . LEU 135 135 27191 1 . LYS 136 136 27191 1 . ASN 137 137 27191 1 . ASP 138 138 27191 1 . ALA 139 139 27191 1 . THR 140 140 27191 1 . THR 141 141 27191 1 . ALA 142 142 27191 1 . VAL 143 143 27191 1 . SER 144 144 27191 1 . GLN 145 145 27191 1 . ALA 146 146 27191 1 . GLY 147 147 27191 1 . LEU 148 148 27191 1 . ARG 149 149 27191 1 . ARG 150 150 27191 1 . PHE 151 151 27191 1 . LEU 152 152 27191 1 . ALA 153 153 27191 1 . ALA 154 154 27191 1 . LEU 155 155 27191 1 . GLY 156 156 27191 1 . VAL 157 157 27191 1 . GLU 158 158 27191 1 . PRO 159 159 27191 1 . MET 160 160 27191 1 . ILE 161 161 27191 1 . VAL 162 162 27191 1 . ASP 163 163 27191 1 . PHE 164 164 27191 1 . ALA 165 165 27191 1 . ALA 166 166 27191 1 . MET 167 167 27191 1 . GLU 168 168 27191 1 . VAL 169 169 27191 1 . VAL 170 170 27191 1 . GLY 171 171 27191 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 27191 _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 $ProXp-ala . 155892 organism . 'Caulobacter crescentus' 'Caulobacter vibrioides' . . Bacteria . Caulobacter crescentus . . . . . . . . . . . . . 27191 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 27191 _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 $ProXp-ala . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 27191 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27191 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ProXp-ala bound to microhelixPro RNA' _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 ProXp-ala '[U-100% 13C; U-100% 15N]' . . 1 $ProXp-ala . . 0.65 . . mM . . . . 27191 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27191 _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' 0.16 . M 27191 1 pH 7.5 . pH 27191 1 pressure 1 . atm 27191 1 temperature 298 . K 27191 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27191 _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' . . 27191 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27191 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27191 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27191 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27191 3 'data analysis' 27191 3 'peak picking' 27191 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27191 _Software.ID 1 _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' . . 27191 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27191 1 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 27191 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 27191 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 27191 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 27191 _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 . . . . . . . . . . . . . . . . 27191 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27191 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27191 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27191 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27191 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27191 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 27191 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27191 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27191 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27191 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 27191 _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 2 '3D CBCA(CO)NH' . . . 27191 1 3 '3D HNCO' . . . 27191 1 4 '3D HNCA' . . . 27191 1 5 '3D HNCACB' . . . 27191 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 3 3 HIS CA C 13 56.1303 0.0000 . 1 . . . . . 0 HIS CA . 27191 1 2 . 1 1 3 3 HIS CB C 13 28.1056 0.0000 . 1 . . . . . 0 HIS CB . 27191 1 3 . 1 1 4 4 MET H H 1 8.2092 0.0000 . 1 . . . . . 1 MET H . 27191 1 4 . 1 1 4 4 MET C C 13 178.0460 0.0000 . 1 . . . . . 1 MET C . 27191 1 5 . 1 1 4 4 MET CA C 13 55.3421 0.0000 . 1 . . . . . 1 MET CA . 27191 1 6 . 1 1 4 4 MET CB C 13 30.2649 0.0000 . 1 . . . . . 1 MET CB . 27191 1 7 . 1 1 4 4 MET N N 15 122.2467 0.0000 . 1 . . . . . 1 MET N . 27191 1 8 . 1 1 5 5 LYS H H 1 8.8945 0.0000 . 1 . . . . . 2 LYS H . 27191 1 9 . 1 1 5 5 LYS C C 13 177.1824 0.0000 . 1 . . . . . 2 LYS C . 27191 1 10 . 1 1 5 5 LYS CA C 13 56.2513 0.0000 . 1 . . . . . 2 LYS CA . 27191 1 11 . 1 1 5 5 LYS CB C 13 29.7483 0.0000 . 1 . . . . . 2 LYS CB . 27191 1 12 . 1 1 5 5 LYS N N 15 123.4810 0.0000 . 1 . . . . . 2 LYS N . 27191 1 13 . 1 1 6 6 THR H H 1 9.0826 0.0000 . 1 . . . . . 3 THR H . 27191 1 14 . 1 1 6 6 THR C C 13 176.2047 0.0000 . 1 . . . . . 3 THR C . 27191 1 15 . 1 1 6 6 THR CA C 13 59.9102 0.0000 . 1 . . . . . 3 THR CA . 27191 1 16 . 1 1 6 6 THR CB C 13 69.3598 0.0000 . 1 . . . . . 3 THR CB . 27191 1 17 . 1 1 6 6 THR N N 15 112.3817 0.0000 . 1 . . . . . 3 THR N . 27191 1 18 . 1 1 7 7 ARG H H 1 8.8142 0.0000 . 1 . . . . . 4 ARG H . 27191 1 19 . 1 1 7 7 ARG C C 13 177.7797 0.0000 . 1 . . . . . 4 ARG C . 27191 1 20 . 1 1 7 7 ARG CA C 13 60.0269 0.0000 . 1 . . . . . 4 ARG CA . 27191 1 21 . 1 1 7 7 ARG CB C 13 27.2340 0.0000 . 1 . . . . . 4 ARG CB . 27191 1 22 . 1 1 7 7 ARG N N 15 121.4401 0.0000 . 1 . . . . . 4 ARG N . 27191 1 23 . 1 1 8 8 ALA H H 1 8.0015 0.0000 . 1 . . . . . 5 ALA H . 27191 1 24 . 1 1 8 8 ALA C C 13 176.8959 0.0000 . 1 . . . . . 5 ALA C . 27191 1 25 . 1 1 8 8 ALA CA C 13 55.2278 0.0000 . 1 . . . . . 5 ALA CA . 27191 1 26 . 1 1 8 8 ALA CB C 13 15.2457 0.0000 . 1 . . . . . 5 ALA CB . 27191 1 27 . 1 1 8 8 ALA N N 15 118.6383 0.0000 . 1 . . . . . 5 ALA N . 27191 1 28 . 1 1 9 9 ASP H H 1 7.4845 0.0000 . 1 . . . . . 6 ASP H . 27191 1 29 . 1 1 9 9 ASP C C 13 171.9308 0.0000 . 1 . . . . . 6 ASP C . 27191 1 30 . 1 1 9 9 ASP CA C 13 56.9576 0.0000 . 1 . . . . . 6 ASP CA . 27191 1 31 . 1 1 9 9 ASP CB C 13 38.5837 0.0000 . 1 . . . . . 6 ASP CB . 27191 1 32 . 1 1 9 9 ASP N N 15 118.3452 0.0000 . 1 . . . . . 6 ASP N . 27191 1 33 . 1 1 10 10 LEU H H 1 7.9758 0.0000 . 1 . . . . . 7 LEU H . 27191 1 34 . 1 1 10 10 LEU C C 13 173.9834 0.0000 . 1 . . . . . 7 LEU C . 27191 1 35 . 1 1 10 10 LEU CA C 13 57.6734 0.0000 . 1 . . . . . 7 LEU CA . 27191 1 36 . 1 1 10 10 LEU CB C 13 37.9494 0.0000 . 1 . . . . . 7 LEU CB . 27191 1 37 . 1 1 10 10 LEU N N 15 122.8042 0.0000 . 1 . . . . . 7 LEU N . 27191 1 38 . 1 1 11 11 PHE H H 1 7.9560 0.0000 . 1 . . . . . 8 PHE H . 27191 1 39 . 1 1 11 11 PHE C C 13 176.1963 0.0000 . 1 . . . . . 8 PHE C . 27191 1 40 . 1 1 11 11 PHE CA C 13 58.3478 0.0000 . 1 . . . . . 8 PHE CA . 27191 1 41 . 1 1 11 11 PHE CB C 13 33.4622 0.0000 . 1 . . . . . 8 PHE CB . 27191 1 42 . 1 1 11 11 PHE N N 15 117.1838 0.0000 . 1 . . . . . 8 PHE N . 27191 1 43 . 1 1 12 12 ALA H H 1 7.9145 0.0000 . 1 . . . . . 9 ALA H . 27191 1 44 . 1 1 12 12 ALA C C 13 175.3418 0.0000 . 1 . . . . . 9 ALA C . 27191 1 45 . 1 1 12 12 ALA CA C 13 55.2146 0.0000 . 1 . . . . . 9 ALA CA . 27191 1 46 . 1 1 12 12 ALA CB C 13 14.9675 0.0000 . 1 . . . . . 9 ALA CB . 27191 1 47 . 1 1 12 12 ALA N N 15 121.2870 0.0000 . 1 . . . . . 9 ALA N . 27191 1 48 . 1 1 13 13 PHE H H 1 8.0216 0.0000 . 1 . . . . . 10 PHE H . 27191 1 49 . 1 1 13 13 PHE C C 13 172.6009 0.0000 . 1 . . . . . 10 PHE C . 27191 1 50 . 1 1 13 13 PHE CA C 13 62.1232 0.0000 . 1 . . . . . 10 PHE CA . 27191 1 51 . 1 1 13 13 PHE CB C 13 36.8178 0.0000 . 1 . . . . . 10 PHE CB . 27191 1 52 . 1 1 13 13 PHE N N 15 122.8854 0.0000 . 1 . . . . . 10 PHE N . 27191 1 53 . 1 1 14 14 PHE H H 1 8.8741 0.0000 . 1 . . . . . 11 PHE H . 27191 1 54 . 1 1 14 14 PHE C C 13 174.4781 0.0000 . 1 . . . . . 11 PHE C . 27191 1 55 . 1 1 14 14 PHE CA C 13 57.3666 0.0000 . 1 . . . . . 11 PHE CA . 27191 1 56 . 1 1 14 14 PHE CB C 13 33.8118 0.0000 . 1 . . . . . 11 PHE CB . 27191 1 57 . 1 1 14 14 PHE N N 15 118.6955 0.0000 . 1 . . . . . 11 PHE N . 27191 1 58 . 1 1 15 15 ASP H H 1 8.7292 0.0000 . 1 . . . . . 12 ASP H . 27191 1 59 . 1 1 15 15 ASP C C 13 173.8195 0.0000 . 1 . . . . . 12 ASP C . 27191 1 60 . 1 1 15 15 ASP CA C 13 57.3952 0.0000 . 1 . . . . . 12 ASP CA . 27191 1 61 . 1 1 15 15 ASP CB C 13 36.9839 0.0000 . 1 . . . . . 12 ASP CB . 27191 1 62 . 1 1 15 15 ASP N N 15 120.0571 0.0000 . 1 . . . . . 12 ASP N . 27191 1 63 . 1 1 16 16 ALA H H 1 8.0554 0.0000 . 1 . . . . . 13 ALA H . 27191 1 64 . 1 1 16 16 ALA C C 13 173.8453 0.0000 . 1 . . . . . 13 ALA C . 27191 1 65 . 1 1 16 16 ALA CA C 13 54.0875 0.0000 . 1 . . . . . 13 ALA CA . 27191 1 66 . 1 1 16 16 ALA CB C 13 15.1241 0.0000 . 1 . . . . . 13 ALA CB . 27191 1 67 . 1 1 16 16 ALA N N 15 122.0496 0.0000 . 1 . . . . . 13 ALA N . 27191 1 68 . 1 1 17 17 HIS H H 1 7.4373 0.0000 . 1 . . . . . 14 HIS H . 27191 1 69 . 1 1 17 17 HIS C C 13 174.4231 0.0000 . 1 . . . . . 14 HIS C . 27191 1 70 . 1 1 17 17 HIS CA C 13 56.5624 0.0000 . 1 . . . . . 14 HIS CA . 27191 1 71 . 1 1 17 17 HIS CB C 13 27.4602 0.0000 . 1 . . . . . 14 HIS CB . 27191 1 72 . 1 1 17 17 HIS N N 15 113.5015 0.0000 . 1 . . . . . 14 HIS N . 27191 1 73 . 1 1 18 18 GLY H H 1 7.6410 0.0000 . 1 . . . . . 15 GLY H . 27191 1 74 . 1 1 18 18 GLY C C 13 178.1305 0.0000 . 1 . . . . . 15 GLY C . 27191 1 75 . 1 1 18 18 GLY CA C 13 55.9643 0.0000 . 1 . . . . . 15 GLY CA . 27191 1 76 . 1 1 18 18 GLY N N 15 108.5132 0.0000 . 1 . . . . . 15 GLY N . 27191 1 77 . 1 1 19 19 VAL H H 1 8.7430 0.0000 . 1 . . . . . 16 VAL H . 27191 1 78 . 1 1 19 19 VAL C C 13 178.1943 0.0000 . 1 . . . . . 16 VAL C . 27191 1 79 . 1 1 19 19 VAL CA C 13 62.6127 0.0000 . 1 . . . . . 16 VAL CA . 27191 1 80 . 1 1 19 19 VAL CB C 13 28.9106 0.0000 . 1 . . . . . 16 VAL CB . 27191 1 81 . 1 1 19 19 VAL N N 15 123.0298 0.0000 . 1 . . . . . 16 VAL N . 27191 1 82 . 1 1 20 20 ASP H H 1 8.3888 0.0000 . 1 . . . . . 17 ASP H . 27191 1 83 . 1 1 20 20 ASP C C 13 178.3048 0.0000 . 1 . . . . . 17 ASP C . 27191 1 84 . 1 1 20 20 ASP CA C 13 53.8224 0.0000 . 1 . . . . . 17 ASP CA . 27191 1 85 . 1 1 20 20 ASP CB C 13 38.4698 0.0000 . 1 . . . . . 17 ASP CB . 27191 1 86 . 1 1 20 20 ASP N N 15 127.9839 0.0000 . 1 . . . . . 17 ASP N . 27191 1 87 . 1 1 21 21 HIS H H 1 7.7516 0.0000 . 1 . . . . . 18 HIS H . 27191 1 88 . 1 1 21 21 HIS C C 13 179.7123 0.0000 . 1 . . . . . 18 HIS C . 27191 1 89 . 1 1 21 21 HIS CA C 13 54.0497 0.0000 . 1 . . . . . 18 HIS CA . 27191 1 90 . 1 1 21 21 HIS CB C 13 30.9118 0.0000 . 1 . . . . . 18 HIS CB . 27191 1 91 . 1 1 21 21 HIS N N 15 113.6688 0.0000 . 1 . . . . . 18 HIS N . 27191 1 92 . 1 1 22 22 LYS H H 1 8.1001 0.0000 . 1 . . . . . 19 LYS H . 27191 1 93 . 1 1 22 22 LYS C C 13 178.9852 0.0000 . 1 . . . . . 19 LYS C . 27191 1 94 . 1 1 22 22 LYS CA C 13 47.3036 0.0000 . 1 . . . . . 19 LYS CA . 27191 1 95 . 1 1 22 22 LYS CB C 13 33.0391 0.0000 . 1 . . . . . 19 LYS CB . 27191 1 96 . 1 1 22 22 LYS N N 15 121.8676 0.0000 . 1 . . . . . 19 LYS N . 27191 1 97 . 1 1 23 23 THR H H 1 8.7341 0.0000 . 1 . . . . . 20 THR H . 27191 1 98 . 1 1 23 23 THR C C 13 178.1943 0.0000 . 1 . . . . . 20 THR C . 27191 1 99 . 1 1 23 23 THR CA C 13 63.1491 0.0000 . 1 . . . . . 20 THR CA . 27191 1 100 . 1 1 23 23 THR CB C 13 67.9813 0.0000 . 1 . . . . . 20 THR CB . 27191 1 101 . 1 1 23 23 THR N N 15 122.8632 0.0000 . 1 . . . . . 20 THR N . 27191 1 102 . 1 1 24 24 LEU H H 1 9.2664 0.0000 . 1 . . . . . 21 LEU H . 27191 1 103 . 1 1 24 24 LEU C C 13 179.7992 0.0000 . 1 . . . . . 21 LEU C . 27191 1 104 . 1 1 24 24 LEU CA C 13 53.7760 0.0000 . 1 . . . . . 21 LEU CA . 27191 1 105 . 1 1 24 24 LEU CB C 13 42.7704 0.0000 . 1 . . . . . 21 LEU CB . 27191 1 106 . 1 1 24 24 LEU N N 15 105.6663 0.0000 . 1 . . . . . 21 LEU N . 27191 1 107 . 1 1 25 25 ASP H H 1 8.4818 0.0000 . 1 . . . . . 22 ASP H . 27191 1 108 . 1 1 25 25 ASP C C 13 178.2448 0.0000 . 1 . . . . . 22 ASP C . 27191 1 109 . 1 1 25 25 ASP CA C 13 53.7760 0.0000 . 1 . . . . . 22 ASP CA . 27191 1 110 . 1 1 25 25 ASP N N 15 125.9450 0.0000 . 1 . . . . . 22 ASP N . 27191 1 111 . 1 1 29 29 VAL CA C 13 61.2364 0.0000 . 1 . . . . . 26 VAL CA . 27191 1 112 . 1 1 30 30 PHE H H 1 9.1313 0.0000 . 1 . . . . . 27 PHE H . 27191 1 113 . 1 1 30 30 PHE C C 13 178.2131 0.0000 . 1 . . . . . 27 PHE C . 27191 1 114 . 1 1 30 30 PHE CA C 13 59.1136 0.0000 . 1 . . . . . 27 PHE CA . 27191 1 115 . 1 1 30 30 PHE CB C 13 38.6662 0.0000 . 1 . . . . . 27 PHE CB . 27191 1 116 . 1 1 30 30 PHE N N 15 122.9226 0.0000 . 1 . . . . . 27 PHE N . 27191 1 117 . 1 1 31 31 ARG H H 1 7.9898 0.0000 . 1 . . . . . 28 ARG H . 27191 1 118 . 1 1 31 31 ARG C C 13 177.5553 0.0000 . 1 . . . . . 28 ARG C . 27191 1 119 . 1 1 31 31 ARG CA C 13 54.8842 0.0000 . 1 . . . . . 28 ARG CA . 27191 1 120 . 1 1 31 31 ARG CB C 13 30.7265 0.0000 . 1 . . . . . 28 ARG CB . 27191 1 121 . 1 1 31 31 ARG N N 15 118.5785 0.0000 . 1 . . . . . 28 ARG N . 27191 1 122 . 1 1 32 32 VAL H H 1 9.0875 0.0000 . 1 . . . . . 29 VAL H . 27191 1 123 . 1 1 32 32 VAL C C 13 175.7433 0.0000 . 1 . . . . . 29 VAL C . 27191 1 124 . 1 1 32 32 VAL CA C 13 54.8842 0.0000 . 1 . . . . . 29 VAL CA . 27191 1 125 . 1 1 32 32 VAL N N 15 123.9052 0.0000 . 1 . . . . . 29 VAL N . 27191 1 126 . 1 1 33 33 GLU H H 1 9.1585 0.0000 . 1 . . . . . 30 GLU H . 27191 1 127 . 1 1 33 33 GLU C C 13 179.6335 0.0000 . 1 . . . . . 30 GLU C . 27191 1 128 . 1 1 33 33 GLU N N 15 117.8774 0.0000 . 1 . . . . . 30 GLU N . 27191 1 129 . 1 1 34 34 GLU C C 13 177.1136 0.0000 . 1 . . . . . 31 GLU C . 27191 1 130 . 1 1 34 34 GLU CA C 13 57.0218 0.0000 . 1 . . . . . 31 GLU CA . 27191 1 131 . 1 1 34 34 GLU CB C 13 27.8189 0.0000 . 1 . . . . . 31 GLU CB . 27191 1 132 . 1 1 35 35 GLY H H 1 8.1841 0.0000 . 1 . . . . . 32 GLY H . 27191 1 133 . 1 1 35 35 GLY C C 13 175.5010 0.0000 . 1 . . . . . 32 GLY C . 27191 1 134 . 1 1 35 35 GLY CA C 13 46.4159 0.0000 . 1 . . . . . 32 GLY CA . 27191 1 135 . 1 1 35 35 GLY N N 15 107.0711 0.0000 . 1 . . . . . 32 GLY N . 27191 1 136 . 1 1 36 36 LEU H H 1 7.7715 0.0000 . 1 . . . . . 33 LEU H . 27191 1 137 . 1 1 36 36 LEU C C 13 177.3031 0.0000 . 1 . . . . . 33 LEU C . 27191 1 138 . 1 1 36 36 LEU CA C 13 58.3578 0.0000 . 1 . . . . . 33 LEU CA . 27191 1 139 . 1 1 36 36 LEU CB C 13 38.5775 0.0000 . 1 . . . . . 33 LEU CB . 27191 1 140 . 1 1 36 36 LEU N N 15 120.8755 0.0000 . 1 . . . . . 33 LEU N . 27191 1 141 . 1 1 37 37 GLU H H 1 8.5543 0.0000 . 1 . . . . . 34 GLU H . 27191 1 142 . 1 1 37 37 GLU C C 13 173.6080 0.0000 . 1 . . . . . 34 GLU C . 27191 1 143 . 1 1 37 37 GLU CA C 13 59.1546 0.0000 . 1 . . . . . 34 GLU CA . 27191 1 144 . 1 1 37 37 GLU CB C 13 26.1363 0.0000 . 1 . . . . . 34 GLU CB . 27191 1 145 . 1 1 37 37 GLU N N 15 118.6899 0.0000 . 1 . . . . . 34 GLU N . 27191 1 146 . 1 1 38 38 ILE H H 1 7.2958 0.0000 . 1 . . . . . 35 ILE H . 27191 1 147 . 1 1 38 38 ILE C C 13 174.0667 0.0000 . 1 . . . . . 35 ILE C . 27191 1 148 . 1 1 38 38 ILE CA C 13 63.7991 0.0000 . 1 . . . . . 35 ILE CA . 27191 1 149 . 1 1 38 38 ILE CB C 13 35.0506 0.0000 . 1 . . . . . 35 ILE CB . 27191 1 150 . 1 1 38 38 ILE N N 15 121.0533 0.0000 . 1 . . . . . 35 ILE N . 27191 1 151 . 1 1 39 39 LYS H H 1 7.4588 0.0000 . 1 . . . . . 36 LYS H . 27191 1 152 . 1 1 39 39 LYS C C 13 175.6868 0.0000 . 1 . . . . . 36 LYS C . 27191 1 153 . 1 1 39 39 LYS CA C 13 58.8244 0.0000 . 1 . . . . . 36 LYS CA . 27191 1 154 . 1 1 39 39 LYS CB C 13 29.2571 0.0000 . 1 . . . . . 36 LYS CB . 27191 1 155 . 1 1 39 39 LYS N N 15 118.6584 0.0000 . 1 . . . . . 36 LYS N . 27191 1 156 . 1 1 40 40 ALA H H 1 7.3691 0.0000 . 1 . . . . . 37 ALA H . 27191 1 157 . 1 1 40 40 ALA C C 13 175.4554 0.0000 . 1 . . . . . 37 ALA C . 27191 1 158 . 1 1 40 40 ALA CA C 13 53.7499 0.0000 . 1 . . . . . 37 ALA CA . 27191 1 159 . 1 1 40 40 ALA CB C 13 15.5511 0.0000 . 1 . . . . . 37 ALA CB . 27191 1 160 . 1 1 40 40 ALA N N 15 117.6262 0.0000 . 1 . . . . . 37 ALA N . 27191 1 161 . 1 1 41 41 ALA H H 1 7.3133 0.0000 . 1 . . . . . 38 ALA H . 27191 1 162 . 1 1 41 41 ALA C C 13 174.5865 0.0000 . 1 . . . . . 38 ALA C . 27191 1 163 . 1 1 41 41 ALA CA C 13 52.7109 0.0000 . 1 . . . . . 38 ALA CA . 27191 1 164 . 1 1 41 41 ALA CB C 13 17.5794 0.0000 . 1 . . . . . 38 ALA CB . 27191 1 165 . 1 1 41 41 ALA N N 15 118.5222 0.0000 . 1 . . . . . 38 ALA N . 27191 1 166 . 1 1 42 42 MET H H 1 7.6112 0.0000 . 1 . . . . . 39 MET H . 27191 1 167 . 1 1 42 42 MET C C 13 175.6982 0.0000 . 1 . . . . . 39 MET C . 27191 1 168 . 1 1 42 42 MET CA C 13 52.7109 0.0000 . 1 . . . . . 39 MET CA . 27191 1 169 . 1 1 42 42 MET N N 15 118.3507 0.0000 . 1 . . . . . 39 MET N . 27191 1 170 . 1 1 43 43 PRO CA C 13 62.6886 0.0000 . 1 . . . . . 40 PRO CA . 27191 1 171 . 1 1 43 43 PRO CB C 13 30.6621 0.0000 . 1 . . . . . 40 PRO CB . 27191 1 172 . 1 1 44 44 GLY H H 1 8.5959 0.0000 . 1 . . . . . 41 GLY H . 27191 1 173 . 1 1 44 44 GLY C C 13 176.5731 0.0000 . 1 . . . . . 41 GLY C . 27191 1 174 . 1 1 44 44 GLY CA C 13 43.8236 0.0000 . 1 . . . . . 41 GLY CA . 27191 1 175 . 1 1 44 44 GLY N N 15 106.7003 0.0000 . 1 . . . . . 41 GLY N . 27191 1 176 . 1 1 45 45 GLY H H 1 8.7312 0.0000 . 1 . . . . . 42 GLY H . 27191 1 177 . 1 1 45 45 GLY C C 13 178.2837 0.0000 . 1 . . . . . 42 GLY C . 27191 1 178 . 1 1 45 45 GLY CA C 13 46.7239 0.0000 . 1 . . . . . 42 GLY CA . 27191 1 179 . 1 1 45 45 GLY N N 15 105.2422 0.0000 . 1 . . . . . 42 GLY N . 27191 1 180 . 1 1 46 46 HIS H H 1 9.2078 0.0000 . 1 . . . . . 43 HIS H . 27191 1 181 . 1 1 46 46 HIS C C 13 180.3055 0.0000 . 1 . . . . . 43 HIS C . 27191 1 182 . 1 1 46 46 HIS CA C 13 57.4392 0.0000 . 1 . . . . . 43 HIS CA . 27191 1 183 . 1 1 46 46 HIS CB C 13 29.5498 0.0000 . 1 . . . . . 43 HIS CB . 27191 1 184 . 1 1 46 46 HIS N N 15 129.5006 0.0000 . 1 . . . . . 43 HIS N . 27191 1 185 . 1 1 47 47 THR H H 1 8.2608 0.0000 . 1 . . . . . 44 THR H . 27191 1 186 . 1 1 47 47 THR C C 13 175.3965 0.0000 . 1 . . . . . 44 THR C . 27191 1 187 . 1 1 47 47 THR CA C 13 61.5252 0.0000 . 1 . . . . . 44 THR CA . 27191 1 188 . 1 1 47 47 THR CB C 13 69.9243 0.0000 . 1 . . . . . 44 THR CB . 27191 1 189 . 1 1 47 47 THR N N 15 109.6552 0.0000 . 1 . . . . . 44 THR N . 27191 1 190 . 1 1 48 48 LYS H H 1 9.2058 0.0000 . 1 . . . . . 45 LYS H . 27191 1 191 . 1 1 48 48 LYS C C 13 178.1213 0.0000 . 1 . . . . . 45 LYS C . 27191 1 192 . 1 1 48 48 LYS CA C 13 48.9236 0.0000 . 1 . . . . . 45 LYS CA . 27191 1 193 . 1 1 48 48 LYS CB C 13 33.5555 0.0000 . 1 . . . . . 45 LYS CB . 27191 1 194 . 1 1 48 48 LYS N N 15 118.2285 0.0000 . 1 . . . . . 45 LYS N . 27191 1 195 . 1 1 49 49 ASN H H 1 8.0374 0.0000 . 1 . . . . . 46 ASN H . 27191 1 196 . 1 1 49 49 ASN C C 13 176.2202 0.0000 . 1 . . . . . 46 ASN C . 27191 1 197 . 1 1 49 49 ASN CA C 13 52.4017 0.0000 . 1 . . . . . 46 ASN CA . 27191 1 198 . 1 1 49 49 ASN N N 15 121.8947 0.0000 . 1 . . . . . 46 ASN N . 27191 1 199 . 1 1 50 50 LEU H H 1 9.6033 0.0000 . 1 . . . . . 47 LEU H . 27191 1 200 . 1 1 50 50 LEU C C 13 179.8726 0.0000 . 1 . . . . . 47 LEU C . 27191 1 201 . 1 1 50 50 LEU CA C 13 54.1628 0.0000 . 1 . . . . . 47 LEU CA . 27191 1 202 . 1 1 50 50 LEU CB C 13 40.9156 0.0000 . 1 . . . . . 47 LEU CB . 27191 1 203 . 1 1 50 50 LEU N N 15 121.7993 0.0000 . 1 . . . . . 47 LEU N . 27191 1 204 . 1 1 51 51 PHE H H 1 9.6077 0.0000 . 1 . . . . . 48 PHE H . 27191 1 205 . 1 1 51 51 PHE C C 13 179.1586 0.0000 . 1 . . . . . 48 PHE C . 27191 1 206 . 1 1 51 51 PHE CA C 13 57.1352 0.0000 . 1 . . . . . 48 PHE CA . 27191 1 207 . 1 1 51 51 PHE CB C 13 37.8733 0.0000 . 1 . . . . . 48 PHE CB . 27191 1 208 . 1 1 51 51 PHE N N 15 126.1917 0.0000 . 1 . . . . . 48 PHE N . 27191 1 209 . 1 1 52 52 LEU H H 1 9.5676 0.0000 . 1 . . . . . 49 LEU H . 27191 1 210 . 1 1 52 52 LEU C C 13 178.8955 0.0000 . 1 . . . . . 49 LEU C . 27191 1 211 . 1 1 52 52 LEU CA C 13 53.6704 0.0000 . 1 . . . . . 49 LEU CA . 27191 1 212 . 1 1 52 52 LEU CB C 13 42.2537 0.0000 . 1 . . . . . 49 LEU CB . 27191 1 213 . 1 1 52 52 LEU N N 15 130.4985 0.0000 . 1 . . . . . 49 LEU N . 27191 1 214 . 1 1 53 53 LYS H H 1 8.9059 0.0000 . 1 . . . . . 50 LYS H . 27191 1 215 . 1 1 53 53 LYS C C 13 179.6256 0.0000 . 1 . . . . . 50 LYS C . 27191 1 216 . 1 1 53 53 LYS CA C 13 54.7950 0.0000 . 1 . . . . . 50 LYS CA . 27191 1 217 . 1 1 53 53 LYS CB C 13 34.2155 0.0000 . 1 . . . . . 50 LYS CB . 27191 1 218 . 1 1 53 53 LYS N N 15 120.4578 0.0000 . 1 . . . . . 50 LYS N . 27191 1 219 . 1 1 54 54 ASP H H 1 9.3240 0.0000 . 1 . . . . . 51 ASP H . 27191 1 220 . 1 1 54 54 ASP C C 13 177.3772 0.0000 . 1 . . . . . 51 ASP C . 27191 1 221 . 1 1 54 54 ASP CA C 13 51.6167 0.0000 . 1 . . . . . 51 ASP CA . 27191 1 222 . 1 1 54 54 ASP CB C 13 40.9052 0.0000 . 1 . . . . . 51 ASP CB . 27191 1 223 . 1 1 54 54 ASP N N 15 127.3335 0.0000 . 1 . . . . . 51 ASP N . 27191 1 224 . 1 1 55 55 ALA H H 1 7.8684 0.0000 . 1 . . . . . 52 ALA H . 27191 1 225 . 1 1 55 55 ALA C C 13 173.6524 0.0000 . 1 . . . . . 52 ALA C . 27191 1 226 . 1 1 55 55 ALA CA C 13 54.3167 0.0000 . 1 . . . . . 52 ALA CA . 27191 1 227 . 1 1 55 55 ALA N N 15 118.4057 0.0000 . 1 . . . . . 52 ALA N . 27191 1 228 . 1 1 56 56 LYS H H 1 8.2732 0.0000 . 1 . . . . . 53 LYS H . 27191 1 229 . 1 1 56 56 LYS C C 13 174.9585 0.0000 . 1 . . . . . 53 LYS C . 27191 1 230 . 1 1 56 56 LYS CA C 13 55.2810 0.0000 . 1 . . . . . 53 LYS CA . 27191 1 231 . 1 1 56 56 LYS CB C 13 29.6229 0.0000 . 1 . . . . . 53 LYS CB . 27191 1 232 . 1 1 56 56 LYS N N 15 115.9700 0.0000 . 1 . . . . . 53 LYS N . 27191 1 233 . 1 1 57 57 GLY H H 1 8.2145 0.0000 . 1 . . . . . 54 GLY H . 27191 1 234 . 1 1 57 57 GLY C C 13 176.0187 0.0000 . 1 . . . . . 54 GLY C . 27191 1 235 . 1 1 57 57 GLY CA C 13 45.2833 0.0000 . 1 . . . . . 54 GLY CA . 27191 1 236 . 1 1 57 57 GLY N N 15 108.6246 0.0000 . 1 . . . . . 54 GLY N . 27191 1 237 . 1 1 58 58 GLN H H 1 8.3412 0.0000 . 1 . . . . . 55 GLN H . 27191 1 238 . 1 1 58 58 GLN C C 13 179.6752 0.0000 . 1 . . . . . 55 GLN C . 27191 1 239 . 1 1 58 58 GLN CA C 13 54.9386 0.0000 . 1 . . . . . 55 GLN CA . 27191 1 240 . 1 1 58 58 GLN CB C 13 26.7032 0.0000 . 1 . . . . . 55 GLN CB . 27191 1 241 . 1 1 58 58 GLN N N 15 122.9677 0.0000 . 1 . . . . . 55 GLN N . 27191 1 242 . 1 1 59 59 LEU H H 1 8.2233 0.0000 . 1 . . . . . 56 LEU H . 27191 1 243 . 1 1 59 59 LEU C C 13 177.6030 0.0000 . 1 . . . . . 56 LEU C . 27191 1 244 . 1 1 59 59 LEU CA C 13 53.9843 0.0000 . 1 . . . . . 56 LEU CA . 27191 1 245 . 1 1 59 59 LEU CB C 13 40.2681 0.0000 . 1 . . . . . 56 LEU CB . 27191 1 246 . 1 1 59 59 LEU N N 15 125.8112 0.0000 . 1 . . . . . 56 LEU N . 27191 1 247 . 1 1 60 60 TRP H H 1 8.9960 0.0000 . 1 . . . . . 57 TRP H . 27191 1 248 . 1 1 60 60 TRP C C 13 176.1298 0.0000 . 1 . . . . . 57 TRP C . 27191 1 249 . 1 1 60 60 TRP CA C 13 56.0669 0.0000 . 1 . . . . . 57 TRP CA . 27191 1 250 . 1 1 60 60 TRP CB C 13 30.5150 0.0000 . 1 . . . . . 57 TRP CB . 27191 1 251 . 1 1 60 60 TRP N N 15 121.6324 0.0000 . 1 . . . . . 57 TRP N . 27191 1 252 . 1 1 61 61 LEU H H 1 9.3311 0.0000 . 1 . . . . . 58 LEU H . 27191 1 253 . 1 1 61 61 LEU C C 13 179.4490 0.0000 . 1 . . . . . 58 LEU C . 27191 1 254 . 1 1 61 61 LEU CA C 13 53.0629 0.0000 . 1 . . . . . 58 LEU CA . 27191 1 255 . 1 1 61 61 LEU CB C 13 43.5626 0.0000 . 1 . . . . . 58 LEU CB . 27191 1 256 . 1 1 61 61 LEU N N 15 123.8512 0.0000 . 1 . . . . . 58 LEU N . 27191 1 257 . 1 1 62 62 ILE H H 1 9.1748 0.0000 . 1 . . . . . 59 ILE H . 27191 1 258 . 1 1 62 62 ILE C C 13 179.0299 0.0000 . 1 . . . . . 59 ILE C . 27191 1 259 . 1 1 62 62 ILE CA C 13 54.6006 0.0000 . 1 . . . . . 59 ILE CA . 27191 1 260 . 1 1 62 62 ILE CB C 13 37.3140 0.0000 . 1 . . . . . 59 ILE CB . 27191 1 261 . 1 1 62 62 ILE N N 15 124.9709 0.0000 . 1 . . . . . 59 ILE N . 27191 1 262 . 1 1 63 63 SER H H 1 8.8211 0.0000 . 1 . . . . . 60 SER H . 27191 1 263 . 1 1 63 63 SER C C 13 176.8751 0.0000 . 1 . . . . . 60 SER C . 27191 1 264 . 1 1 63 63 SER CA C 13 59.3991 0.0000 . 1 . . . . . 60 SER CA . 27191 1 265 . 1 1 63 63 SER CB C 13 62.0389 0.0000 . 1 . . . . . 60 SER CB . 27191 1 266 . 1 1 63 63 SER N N 15 124.2334 0.0000 . 1 . . . . . 60 SER N . 27191 1 267 . 1 1 64 64 ALA H H 1 9.1036 0.0000 . 1 . . . . . 61 ALA H . 27191 1 268 . 1 1 64 64 ALA C C 13 181.2216 0.0000 . 1 . . . . . 61 ALA C . 27191 1 269 . 1 1 64 64 ALA CA C 13 49.5959 0.0000 . 1 . . . . . 61 ALA CA . 27191 1 270 . 1 1 64 64 ALA CB C 13 20.0891 0.0000 . 1 . . . . . 61 ALA CB . 27191 1 271 . 1 1 64 64 ALA N N 15 126.6661 0.0000 . 1 . . . . . 61 ALA N . 27191 1 272 . 1 1 65 65 LEU H H 1 8.9299 0.0000 . 1 . . . . . 62 LEU H . 27191 1 273 . 1 1 65 65 LEU C C 13 176.4571 0.0000 . 1 . . . . . 62 LEU C . 27191 1 274 . 1 1 65 65 LEU CA C 13 55.7198 0.0000 . 1 . . . . . 62 LEU CA . 27191 1 275 . 1 1 65 65 LEU CB C 13 38.4252 0.0000 . 1 . . . . . 62 LEU CB . 27191 1 276 . 1 1 65 65 LEU N N 15 121.6132 0.0000 . 1 . . . . . 62 LEU N . 27191 1 277 . 1 1 66 66 GLY H H 1 8.6136 0.0000 . 1 . . . . . 63 GLY H . 27191 1 278 . 1 1 66 66 GLY C C 13 173.2907 0.0000 . 1 . . . . . 63 GLY C . 27191 1 279 . 1 1 66 66 GLY CA C 13 47.6835 0.0000 . 1 . . . . . 63 GLY CA . 27191 1 280 . 1 1 66 66 GLY N N 15 109.2250 0.0000 . 1 . . . . . 63 GLY N . 27191 1 281 . 1 1 67 67 GLU H H 1 8.1517 0.0000 . 1 . . . . . 64 GLU H . 27191 1 282 . 1 1 67 67 GLU C C 13 178.5013 0.0000 . 1 . . . . . 64 GLU C . 27191 1 283 . 1 1 67 67 GLU CA C 13 56.6605 0.0000 . 1 . . . . . 64 GLU CA . 27191 1 284 . 1 1 67 67 GLU CB C 13 26.9609 0.0000 . 1 . . . . . 64 GLU CB . 27191 1 285 . 1 1 67 67 GLU N N 15 114.2352 0.0000 . 1 . . . . . 64 GLU N . 27191 1 286 . 1 1 68 68 THR H H 1 7.7497 0.0000 . 1 . . . . . 65 THR H . 27191 1 287 . 1 1 68 68 THR C C 13 176.2990 0.0000 . 1 . . . . . 65 THR C . 27191 1 288 . 1 1 68 68 THR CA C 13 63.8210 0.0000 . 1 . . . . . 65 THR CA . 27191 1 289 . 1 1 68 68 THR CB C 13 66.0368 0.0000 . 1 . . . . . 65 THR CB . 27191 1 290 . 1 1 68 68 THR N N 15 121.6602 0.0000 . 1 . . . . . 65 THR N . 27191 1 291 . 1 1 69 69 THR H H 1 8.4672 0.0000 . 1 . . . . . 66 THR H . 27191 1 292 . 1 1 69 69 THR C C 13 179.6243 0.0000 . 1 . . . . . 66 THR C . 27191 1 293 . 1 1 69 69 THR CA C 13 63.8210 0.0000 . 1 . . . . . 66 THR CA . 27191 1 294 . 1 1 69 69 THR N N 15 125.8868 0.0000 . 1 . . . . . 66 THR N . 27191 1 295 . 1 1 70 70 ILE CA C 13 60.2708 0.0000 . 1 . . . . . 67 ILE CA . 27191 1 296 . 1 1 70 70 ILE CB C 13 36.3628 0.0000 . 1 . . . . . 67 ILE CB . 27191 1 297 . 1 1 71 71 ASP H H 1 8.8214 0.0000 . 1 . . . . . 68 ASP H . 27191 1 298 . 1 1 71 71 ASP C C 13 178.3115 0.0000 . 1 . . . . . 68 ASP C . 27191 1 299 . 1 1 71 71 ASP CA C 13 52.4721 0.0000 . 1 . . . . . 68 ASP CA . 27191 1 300 . 1 1 71 71 ASP CB C 13 36.5774 0.0000 . 1 . . . . . 68 ASP CB . 27191 1 301 . 1 1 71 71 ASP N N 15 128.2432 0.0000 . 1 . . . . . 68 ASP N . 27191 1 302 . 1 1 72 72 LEU H H 1 8.0838 0.0000 . 1 . . . . . 69 LEU H . 27191 1 303 . 1 1 72 72 LEU C C 13 176.3489 0.0000 . 1 . . . . . 69 LEU C . 27191 1 304 . 1 1 72 72 LEU CA C 13 56.8535 0.0000 . 1 . . . . . 69 LEU CA . 27191 1 305 . 1 1 72 72 LEU CB C 13 39.1734 0.0000 . 1 . . . . . 69 LEU CB . 27191 1 306 . 1 1 72 72 LEU N N 15 124.7336 0.0000 . 1 . . . . . 69 LEU N . 27191 1 307 . 1 1 73 73 LYS H H 1 8.2695 0.0000 . 1 . . . . . 70 LYS H . 27191 1 308 . 1 1 73 73 LYS C C 13 175.2763 0.0000 . 1 . . . . . 70 LYS C . 27191 1 309 . 1 1 73 73 LYS CA C 13 59.0849 0.0000 . 1 . . . . . 70 LYS CA . 27191 1 310 . 1 1 73 73 LYS CB C 13 29.3874 0.0000 . 1 . . . . . 70 LYS CB . 27191 1 311 . 1 1 73 73 LYS N N 15 117.7393 0.0000 . 1 . . . . . 70 LYS N . 27191 1 312 . 1 1 74 74 LYS H H 1 6.8607 0.0000 . 1 . . . . . 71 LYS H . 27191 1 313 . 1 1 74 74 LYS C C 13 175.4123 0.0000 . 1 . . . . . 71 LYS C . 27191 1 314 . 1 1 74 74 LYS CA C 13 55.3142 0.0000 . 1 . . . . . 71 LYS CA . 27191 1 315 . 1 1 74 74 LYS CB C 13 31.9863 0.0000 . 1 . . . . . 71 LYS CB . 27191 1 316 . 1 1 74 74 LYS N N 15 113.1972 0.0000 . 1 . . . . . 71 LYS N . 27191 1 317 . 1 1 75 75 LEU H H 1 7.5394 0.0000 . 1 . . . . . 72 LEU H . 27191 1 318 . 1 1 75 75 LEU C C 13 174.7474 0.0000 . 1 . . . . . 72 LEU C . 27191 1 319 . 1 1 75 75 LEU CA C 13 57.3541 0.0000 . 1 . . . . . 72 LEU CA . 27191 1 320 . 1 1 75 75 LEU CB C 13 39.2678 0.0000 . 1 . . . . . 72 LEU CB . 27191 1 321 . 1 1 75 75 LEU N N 15 118.4531 0.0000 . 1 . . . . . 72 LEU N . 27191 1 322 . 1 1 76 76 HIS H H 1 8.2704 0.0000 . 1 . . . . . 73 HIS H . 27191 1 323 . 1 1 76 76 HIS C C 13 175.7966 0.0000 . 1 . . . . . 73 HIS C . 27191 1 324 . 1 1 76 76 HIS CA C 13 58.8733 0.0000 . 1 . . . . . 73 HIS CA . 27191 1 325 . 1 1 76 76 HIS CB C 13 26.3597 0.0000 . 1 . . . . . 73 HIS CB . 27191 1 326 . 1 1 76 76 HIS N N 15 115.9998 0.0000 . 1 . . . . . 73 HIS N . 27191 1 327 . 1 1 77 77 HIS H H 1 6.2270 0.0000 . 1 . . . . . 74 HIS H . 27191 1 328 . 1 1 77 77 HIS C C 13 175.4103 0.0000 . 1 . . . . . 74 HIS C . 27191 1 329 . 1 1 77 77 HIS CA C 13 57.4925 0.0000 . 1 . . . . . 74 HIS CA . 27191 1 330 . 1 1 77 77 HIS CB C 13 27.8203 0.0000 . 1 . . . . . 74 HIS CB . 27191 1 331 . 1 1 77 77 HIS N N 15 116.7110 0.0000 . 1 . . . . . 74 HIS N . 27191 1 332 . 1 1 78 78 VAL H H 1 7.4014 0.0000 . 1 . . . . . 75 VAL H . 27191 1 333 . 1 1 78 78 VAL C C 13 176.3481 0.0000 . 1 . . . . . 75 VAL C . 27191 1 334 . 1 1 78 78 VAL CA C 13 64.5085 0.0000 . 1 . . . . . 75 VAL CA . 27191 1 335 . 1 1 78 78 VAL CB C 13 29.7646 0.0000 . 1 . . . . . 75 VAL CB . 27191 1 336 . 1 1 78 78 VAL N N 15 118.3861 0.0000 . 1 . . . . . 75 VAL N . 27191 1 337 . 1 1 79 79 ILE H H 1 7.1675 0.0000 . 1 . . . . . 76 ILE H . 27191 1 338 . 1 1 79 79 ILE C C 13 175.8026 0.0000 . 1 . . . . . 76 ILE C . 27191 1 339 . 1 1 79 79 ILE CA C 13 61.8485 0.0000 . 1 . . . . . 76 ILE CA . 27191 1 340 . 1 1 79 79 ILE CB C 13 34.8656 0.0000 . 1 . . . . . 76 ILE CB . 27191 1 341 . 1 1 79 79 ILE N N 15 107.2437 0.0000 . 1 . . . . . 76 ILE N . 27191 1 342 . 1 1 80 80 GLY H H 1 7.4267 0.0000 . 1 . . . . . 77 GLY H . 27191 1 343 . 1 1 80 80 GLY C C 13 178.2189 0.0000 . 1 . . . . . 77 GLY C . 27191 1 344 . 1 1 80 80 GLY CA C 13 46.6991 0.0000 . 1 . . . . . 77 GLY CA . 27191 1 345 . 1 1 80 80 GLY N N 15 109.1059 0.0000 . 1 . . . . . 77 GLY N . 27191 1 346 . 1 1 81 81 SER H H 1 7.9191 0.0000 . 1 . . . . . 78 SER H . 27191 1 347 . 1 1 81 81 SER C C 13 178.3252 0.0000 . 1 . . . . . 78 SER C . 27191 1 348 . 1 1 81 81 SER CA C 13 57.4081 0.0000 . 1 . . . . . 78 SER CA . 27191 1 349 . 1 1 81 81 SER CB C 13 54.5502 0.0000 . 1 . . . . . 78 SER CB . 27191 1 350 . 1 1 81 81 SER N N 15 115.8962 0.0000 . 1 . . . . . 78 SER N . 27191 1 351 . 1 1 82 82 GLY H H 1 8.1620 0.0000 . 1 . . . . . 79 GLY H . 27191 1 352 . 1 1 82 82 GLY C C 13 177.0764 0.0000 . 1 . . . . . 79 GLY C . 27191 1 353 . 1 1 82 82 GLY CA C 13 44.5813 0.0000 . 1 . . . . . 79 GLY CA . 27191 1 354 . 1 1 82 82 GLY N N 15 127.9793 0.0000 . 1 . . . . . 79 GLY N . 27191 1 355 . 1 1 83 83 ARG H H 1 8.8420 0.0000 . 1 . . . . . 80 ARG H . 27191 1 356 . 1 1 83 83 ARG C C 13 179.6817 0.0000 . 1 . . . . . 80 ARG C . 27191 1 357 . 1 1 83 83 ARG CA C 13 58.5504 0.0000 . 1 . . . . . 80 ARG CA . 27191 1 358 . 1 1 83 83 ARG CB C 13 27.5946 0.0000 . 1 . . . . . 80 ARG CB . 27191 1 359 . 1 1 83 83 ARG N N 15 121.9486 0.0000 . 1 . . . . . 80 ARG N . 27191 1 360 . 1 1 84 84 LEU H H 1 8.8074 0.0000 . 1 . . . . . 81 LEU H . 27191 1 361 . 1 1 84 84 LEU C C 13 174.6922 0.0000 . 1 . . . . . 81 LEU C . 27191 1 362 . 1 1 84 84 LEU CA C 13 56.5625 0.0000 . 1 . . . . . 81 LEU CA . 27191 1 363 . 1 1 84 84 LEU CB C 13 42.2762 0.0000 . 1 . . . . . 81 LEU CB . 27191 1 364 . 1 1 84 84 LEU N N 15 127.5545 0.0000 . 1 . . . . . 81 LEU N . 27191 1 365 . 1 1 85 85 SER H H 1 7.8062 0.0000 . 1 . . . . . 82 SER H . 27191 1 366 . 1 1 85 85 SER C C 13 176.9254 0.0000 . 1 . . . . . 82 SER C . 27191 1 367 . 1 1 85 85 SER CA C 13 56.5625 0.0000 . 1 . . . . . 82 SER CA . 27191 1 368 . 1 1 85 85 SER N N 15 116.4608 0.0000 . 1 . . . . . 82 SER N . 27191 1 369 . 1 1 86 86 PHE CA C 13 60.0822 0.0000 . 1 . . . . . 83 PHE CA . 27191 1 370 . 1 1 86 86 PHE CB C 13 34.0499 0.0000 . 1 . . . . . 83 PHE CB . 27191 1 371 . 1 1 87 87 GLY H H 1 9.3392 0.0000 . 1 . . . . . 84 GLY H . 27191 1 372 . 1 1 87 87 GLY C C 13 175.2928 0.0000 . 1 . . . . . 84 GLY C . 27191 1 373 . 1 1 87 87 GLY CA C 13 60.0822 0.0000 . 1 . . . . . 84 GLY CA . 27191 1 374 . 1 1 87 87 GLY N N 15 110.0351 0.0000 . 1 . . . . . 84 GLY N . 27191 1 375 . 1 1 89 89 GLN CA C 13 59.7110 0.0000 . 1 . . . . . 86 GLN CA . 27191 1 376 . 1 1 89 89 GLN CB C 13 25.2298 0.0000 . 1 . . . . . 86 GLN CB . 27191 1 377 . 1 1 90 90 GLU H H 1 10.3373 0.0000 . 1 . . . . . 87 GLU H . 27191 1 378 . 1 1 90 90 GLU C C 13 174.6418 0.0000 . 1 . . . . . 87 GLU C . 27191 1 379 . 1 1 90 90 GLU CA C 13 60.6610 0.0000 . 1 . . . . . 87 GLU CA . 27191 1 380 . 1 1 90 90 GLU CB C 13 25.5219 0.0000 . 1 . . . . . 87 GLU CB . 27191 1 381 . 1 1 90 90 GLU N N 15 122.4222 0.0000 . 1 . . . . . 87 GLU N . 27191 1 382 . 1 1 91 91 MET H H 1 6.9083 0.0000 . 1 . . . . . 88 MET H . 27191 1 383 . 1 1 91 91 MET C C 13 173.5748 0.0000 . 1 . . . . . 88 MET C . 27191 1 384 . 1 1 91 91 MET CA C 13 57.8314 0.0000 . 1 . . . . . 88 MET CA . 27191 1 385 . 1 1 91 91 MET CB C 13 30.2492 0.0000 . 1 . . . . . 88 MET CB . 27191 1 386 . 1 1 91 91 MET N N 15 116.2804 0.0000 . 1 . . . . . 88 MET N . 27191 1 387 . 1 1 92 92 MET H H 1 7.7989 0.0000 . 1 . . . . . 89 MET H . 27191 1 388 . 1 1 92 92 MET C C 13 174.7827 0.0000 . 1 . . . . . 89 MET C . 27191 1 389 . 1 1 92 92 MET CA C 13 59.0666 0.0000 . 1 . . . . . 89 MET CA . 27191 1 390 . 1 1 92 92 MET CB C 13 31.2801 0.0000 . 1 . . . . . 89 MET CB . 27191 1 391 . 1 1 92 92 MET N N 15 123.8646 0.0000 . 1 . . . . . 89 MET N . 27191 1 392 . 1 1 93 93 LEU H H 1 7.7773 0.0000 . 1 . . . . . 90 LEU H . 27191 1 393 . 1 1 93 93 LEU C C 13 175.9039 0.0000 . 1 . . . . . 90 LEU C . 27191 1 394 . 1 1 93 93 LEU CA C 13 58.0925 0.0000 . 1 . . . . . 90 LEU CA . 27191 1 395 . 1 1 93 93 LEU CB C 13 38.8537 0.0000 . 1 . . . . . 90 LEU CB . 27191 1 396 . 1 1 93 93 LEU N N 15 120.6443 0.0000 . 1 . . . . . 90 LEU N . 27191 1 397 . 1 1 94 94 GLU H H 1 7.4115 0.0000 . 1 . . . . . 91 GLU H . 27191 1 398 . 1 1 94 94 GLU C C 13 174.1325 0.0000 . 1 . . . . . 91 GLU C . 27191 1 399 . 1 1 94 94 GLU CA C 13 59.0954 0.0000 . 1 . . . . . 91 GLU CA . 27191 1 400 . 1 1 94 94 GLU CB C 13 28.0183 0.0000 . 1 . . . . . 91 GLU CB . 27191 1 401 . 1 1 94 94 GLU N N 15 115.4034 0.0000 . 1 . . . . . 91 GLU N . 27191 1 402 . 1 1 95 95 THR H H 1 7.4808 0.0000 . 1 . . . . . 92 THR H . 27191 1 403 . 1 1 95 95 THR C C 13 175.7561 0.0000 . 1 . . . . . 92 THR C . 27191 1 404 . 1 1 95 95 THR CA C 13 63.3775 0.0000 . 1 . . . . . 92 THR CA . 27191 1 405 . 1 1 95 95 THR CB C 13 67.4659 0.0000 . 1 . . . . . 92 THR CB . 27191 1 406 . 1 1 95 95 THR N N 15 105.9126 0.0000 . 1 . . . . . 92 THR N . 27191 1 407 . 1 1 96 96 LEU H H 1 7.3092 0.0000 . 1 . . . . . 93 LEU H . 27191 1 408 . 1 1 96 96 LEU C C 13 180.0353 0.0000 . 1 . . . . . 93 LEU C . 27191 1 409 . 1 1 96 96 LEU CA C 13 53.2686 0.0000 . 1 . . . . . 93 LEU CA . 27191 1 410 . 1 1 96 96 LEU CB C 13 42.3797 0.0000 . 1 . . . . . 93 LEU CB . 27191 1 411 . 1 1 96 96 LEU N N 15 114.0812 0.0000 . 1 . . . . . 93 LEU N . 27191 1 412 . 1 1 97 97 GLY H H 1 7.7555 0.0000 . 1 . . . . . 94 GLY H . 27191 1 413 . 1 1 97 97 GLY C C 13 174.5206 0.0000 . 1 . . . . . 94 GLY C . 27191 1 414 . 1 1 97 97 GLY CA C 13 47.0680 0.0000 . 1 . . . . . 94 GLY CA . 27191 1 415 . 1 1 97 97 GLY N N 15 107.4450 0.0000 . 1 . . . . . 94 GLY N . 27191 1 416 . 1 1 98 98 VAL H H 1 6.4624 0.0000 . 1 . . . . . 95 VAL H . 27191 1 417 . 1 1 98 98 VAL C C 13 179.1624 0.0000 . 1 . . . . . 95 VAL C . 27191 1 418 . 1 1 98 98 VAL CA C 13 57.3311 0.0000 . 1 . . . . . 95 VAL CA . 27191 1 419 . 1 1 98 98 VAL CB C 13 32.6029 0.0000 . 1 . . . . . 95 VAL CB . 27191 1 420 . 1 1 98 98 VAL N N 15 106.4228 0.0000 . 1 . . . . . 95 VAL N . 27191 1 421 . 1 1 99 99 THR H H 1 7.3312 0.0000 . 1 . . . . . 96 THR H . 27191 1 422 . 1 1 99 99 THR C C 13 179.5687 0.0000 . 1 . . . . . 96 THR C . 27191 1 423 . 1 1 99 99 THR CA C 13 57.3311 0.0000 . 1 . . . . . 96 THR CA . 27191 1 424 . 1 1 99 99 THR N N 15 107.8591 0.0000 . 1 . . . . . 96 THR N . 27191 1 425 . 1 1 101 101 GLY CA C 13 45.9881 0.0000 . 1 . . . . . 98 GLY CA . 27191 1 426 . 1 1 102 102 SER H H 1 8.2060 0.0000 . 1 . . . . . 99 SER H . 27191 1 427 . 1 1 102 102 SER C C 13 179.5534 0.0000 . 1 . . . . . 99 SER C . 27191 1 428 . 1 1 102 102 SER CA C 13 45.9881 0.0000 . 1 . . . . . 99 SER CA . 27191 1 429 . 1 1 102 102 SER N N 15 113.4683 0.0000 . 1 . . . . . 99 SER N . 27191 1 430 . 1 1 103 103 VAL CA C 13 65.6635 0.0000 . 1 . . . . . 100 VAL CA . 27191 1 431 . 1 1 103 103 VAL CB C 13 27.4743 0.0000 . 1 . . . . . 100 VAL CB . 27191 1 432 . 1 1 104 104 THR H H 1 6.0730 0.0000 . 1 . . . . . 101 THR H . 27191 1 433 . 1 1 104 104 THR C C 13 177.1903 0.0000 . 1 . . . . . 101 THR C . 27191 1 434 . 1 1 104 104 THR CA C 13 57.4909 0.0000 . 1 . . . . . 101 THR CA . 27191 1 435 . 1 1 104 104 THR CB C 13 65.8558 0.0000 . 1 . . . . . 101 THR CB . 27191 1 436 . 1 1 104 104 THR N N 15 116.5712 0.0000 . 1 . . . . . 101 THR N . 27191 1 437 . 1 1 105 105 ALA H H 1 5.9259 0.0000 . 1 . . . . . 102 ALA H . 27191 1 438 . 1 1 105 105 ALA C C 13 179.9865 0.0000 . 1 . . . . . 102 ALA C . 27191 1 439 . 1 1 105 105 ALA CA C 13 54.6363 0.0000 . 1 . . . . . 102 ALA CA . 27191 1 440 . 1 1 105 105 ALA CB C 13 14.4504 0.0000 . 1 . . . . . 102 ALA CB . 27191 1 441 . 1 1 105 105 ALA N N 15 129.8459 0.0000 . 1 . . . . . 102 ALA N . 27191 1 442 . 1 1 106 106 PHE H H 1 7.4959 0.0000 . 1 . . . . . 103 PHE H . 27191 1 443 . 1 1 106 106 PHE C C 13 175.1794 0.0000 . 1 . . . . . 103 PHE C . 27191 1 444 . 1 1 106 106 PHE CA C 13 55.9959 0.0000 . 1 . . . . . 103 PHE CA . 27191 1 445 . 1 1 106 106 PHE CB C 13 33.9457 0.0000 . 1 . . . . . 103 PHE CB . 27191 1 446 . 1 1 106 106 PHE N N 15 112.6737 0.0000 . 1 . . . . . 103 PHE N . 27191 1 447 . 1 1 107 107 GLY H H 1 7.8080 0.0000 . 1 . . . . . 104 GLY H . 27191 1 448 . 1 1 107 107 GLY C C 13 176.2450 0.0000 . 1 . . . . . 104 GLY C . 27191 1 449 . 1 1 107 107 GLY CA C 13 46.4023 0.0000 . 1 . . . . . 104 GLY CA . 27191 1 450 . 1 1 107 107 GLY N N 15 105.3759 0.0000 . 1 . . . . . 104 GLY N . 27191 1 451 . 1 1 108 108 LEU H H 1 7.5104 0.0000 . 1 . . . . . 105 LEU H . 27191 1 452 . 1 1 108 108 LEU C C 13 179.2032 0.0000 . 1 . . . . . 105 LEU C . 27191 1 453 . 1 1 108 108 LEU CA C 13 57.5406 0.0000 . 1 . . . . . 105 LEU CA . 27191 1 454 . 1 1 108 108 LEU CB C 13 38.7850 0.0000 . 1 . . . . . 105 LEU CB . 27191 1 455 . 1 1 108 108 LEU N N 15 120.0408 0.0000 . 1 . . . . . 105 LEU N . 27191 1 456 . 1 1 109 109 ILE H H 1 7.4889 0.0000 . 1 . . . . . 106 ILE H . 27191 1 457 . 1 1 109 109 ILE C C 13 174.5371 0.0000 . 1 . . . . . 106 ILE C . 27191 1 458 . 1 1 109 109 ILE CA C 13 63.9560 0.0000 . 1 . . . . . 106 ILE CA . 27191 1 459 . 1 1 109 109 ILE CB C 13 35.5109 0.0000 . 1 . . . . . 106 ILE CB . 27191 1 460 . 1 1 109 109 ILE N N 15 118.5697 0.0000 . 1 . . . . . 106 ILE N . 27191 1 461 . 1 1 110 110 ASN H H 1 7.8060 0.0000 . 1 . . . . . 107 ASN H . 27191 1 462 . 1 1 110 110 ASN C C 13 178.9056 0.0000 . 1 . . . . . 107 ASN C . 27191 1 463 . 1 1 110 110 ASN CA C 13 54.0196 0.0000 . 1 . . . . . 107 ASN CA . 27191 1 464 . 1 1 110 110 ASN CB C 13 37.2705 0.0000 . 1 . . . . . 107 ASN CB . 27191 1 465 . 1 1 110 110 ASN N N 15 117.8918 0.0000 . 1 . . . . . 107 ASN N . 27191 1 466 . 1 1 111 111 ASP H H 1 7.3105 0.0000 . 1 . . . . . 108 ASP H . 27191 1 467 . 1 1 111 111 ASP C C 13 177.6016 0.0000 . 1 . . . . . 108 ASP C . 27191 1 468 . 1 1 111 111 ASP CA C 13 53.4498 0.0000 . 1 . . . . . 108 ASP CA . 27191 1 469 . 1 1 111 111 ASP CB C 13 36.4062 0.0000 . 1 . . . . . 108 ASP CB . 27191 1 470 . 1 1 111 111 ASP N N 15 122.8162 0.0000 . 1 . . . . . 108 ASP N . 27191 1 471 . 1 1 112 112 THR H H 1 8.2360 0.0000 . 1 . . . . . 109 THR H . 27191 1 472 . 1 1 112 112 THR C C 13 174.3247 0.0000 . 1 . . . . . 109 THR C . 27191 1 473 . 1 1 112 112 THR CA C 13 65.3366 0.0000 . 1 . . . . . 109 THR CA . 27191 1 474 . 1 1 112 112 THR CB C 13 65.6067 0.0000 . 1 . . . . . 109 THR CB . 27191 1 475 . 1 1 112 112 THR N N 15 116.9095 0.0000 . 1 . . . . . 109 THR N . 27191 1 476 . 1 1 113 113 GLU H H 1 8.8780 0.0000 . 1 . . . . . 110 GLU H . 27191 1 477 . 1 1 113 113 GLU C C 13 176.5332 0.0000 . 1 . . . . . 110 GLU C . 27191 1 478 . 1 1 113 113 GLU CA C 13 61.3120 0.0000 . 1 . . . . . 110 GLU CA . 27191 1 479 . 1 1 113 113 GLU CB C 13 26.1665 0.0000 . 1 . . . . . 110 GLU CB . 27191 1 480 . 1 1 113 113 GLU N N 15 118.8546 0.0000 . 1 . . . . . 110 GLU N . 27191 1 481 . 1 1 114 114 LYS H H 1 7.9464 0.0000 . 1 . . . . . 111 LYS H . 27191 1 482 . 1 1 114 114 LYS C C 13 177.9783 0.0000 . 1 . . . . . 111 LYS C . 27191 1 483 . 1 1 114 114 LYS CA C 13 56.3311 0.0000 . 1 . . . . . 111 LYS CA . 27191 1 484 . 1 1 114 114 LYS CB C 13 25.3238 0.0000 . 1 . . . . . 111 LYS CB . 27191 1 485 . 1 1 114 114 LYS N N 15 118.8156 0.0000 . 1 . . . . . 111 LYS N . 27191 1 486 . 1 1 115 115 ARG H H 1 10.3257 0.0000 . 1 . . . . . 112 ARG H . 27191 1 487 . 1 1 115 115 ARG C C 13 175.8996 0.0000 . 1 . . . . . 112 ARG C . 27191 1 488 . 1 1 115 115 ARG CA C 13 57.4152 0.0000 . 1 . . . . . 112 ARG CA . 27191 1 489 . 1 1 115 115 ARG CB C 13 29.9240 0.0000 . 1 . . . . . 112 ARG CB . 27191 1 490 . 1 1 115 115 ARG N N 15 122.0310 0.0000 . 1 . . . . . 112 ARG N . 27191 1 491 . 1 1 116 116 VAL H H 1 9.9484 0.0000 . 1 . . . . . 113 VAL H . 27191 1 492 . 1 1 116 116 VAL C C 13 176.6586 0.0000 . 1 . . . . . 113 VAL C . 27191 1 493 . 1 1 116 116 VAL CA C 13 61.7488 0.0000 . 1 . . . . . 113 VAL CA . 27191 1 494 . 1 1 116 116 VAL CB C 13 29.3258 0.0000 . 1 . . . . . 113 VAL CB . 27191 1 495 . 1 1 116 116 VAL N N 15 123.1681 0.0000 . 1 . . . . . 113 VAL N . 27191 1 496 . 1 1 117 117 ARG H H 1 7.6524 0.0000 . 1 . . . . . 114 ARG H . 27191 1 497 . 1 1 117 117 ARG C C 13 177.2236 0.0000 . 1 . . . . . 114 ARG C . 27191 1 498 . 1 1 117 117 ARG CA C 13 55.7544 0.0000 . 1 . . . . . 114 ARG CA . 27191 1 499 . 1 1 117 117 ARG CB C 13 28.5448 0.0000 . 1 . . . . . 114 ARG CB . 27191 1 500 . 1 1 117 117 ARG N N 15 126.7997 0.0000 . 1 . . . . . 114 ARG N . 27191 1 501 . 1 1 118 118 PHE H H 1 8.8471 0.0000 . 1 . . . . . 115 PHE H . 27191 1 502 . 1 1 118 118 PHE C C 13 178.0935 0.0000 . 1 . . . . . 115 PHE C . 27191 1 503 . 1 1 118 118 PHE CA C 13 56.0728 0.0000 . 1 . . . . . 115 PHE CA . 27191 1 504 . 1 1 118 118 PHE CB C 13 39.9911 0.0000 . 1 . . . . . 115 PHE CB . 27191 1 505 . 1 1 118 118 PHE N N 15 123.9860 0.0000 . 1 . . . . . 115 PHE N . 27191 1 506 . 1 1 119 119 VAL H H 1 9.2038 0.0000 . 1 . . . . . 116 VAL H . 27191 1 507 . 1 1 119 119 VAL C C 13 179.2823 0.0000 . 1 . . . . . 116 VAL C . 27191 1 508 . 1 1 119 119 VAL CA C 13 60.5175 0.0000 . 1 . . . . . 116 VAL CA . 27191 1 509 . 1 1 119 119 VAL CB C 13 31.5607 0.0000 . 1 . . . . . 116 VAL CB . 27191 1 510 . 1 1 119 119 VAL N N 15 105.1278 0.0000 . 1 . . . . . 116 VAL N . 27191 1 511 . 1 1 120 120 LEU H H 1 8.7848 0.0000 . 1 . . . . . 117 LEU H . 27191 1 512 . 1 1 120 120 LEU C C 13 181.4103 0.0000 . 1 . . . . . 117 LEU C . 27191 1 513 . 1 1 120 120 LEU CA C 13 51.6924 0.0000 . 1 . . . . . 117 LEU CA . 27191 1 514 . 1 1 120 120 LEU CB C 13 43.6402 0.0000 . 1 . . . . . 117 LEU CB . 27191 1 515 . 1 1 120 120 LEU N N 15 127.1531 0.0000 . 1 . . . . . 117 LEU N . 27191 1 516 . 1 1 121 121 ASP H H 1 8.1878 0.0000 . 1 . . . . . 118 ASP H . 27191 1 517 . 1 1 121 121 ASP C C 13 178.0324 0.0000 . 1 . . . . . 118 ASP C . 27191 1 518 . 1 1 121 121 ASP CA C 13 53.8335 0.0000 . 1 . . . . . 118 ASP CA . 27191 1 519 . 1 1 121 121 ASP CB C 13 41.6795 0.0000 . 1 . . . . . 118 ASP CB . 27191 1 520 . 1 1 121 121 ASP N N 15 124.6284 0.0000 . 1 . . . . . 118 ASP N . 27191 1 521 . 1 1 122 122 LYS H H 1 9.5683 0.0000 . 1 . . . . . 119 LYS H . 27191 1 522 . 1 1 122 122 LYS C C 13 175.6776 0.0000 . 1 . . . . . 119 LYS C . 27191 1 523 . 1 1 122 122 LYS CA C 13 59.0115 0.0000 . 1 . . . . . 119 LYS CA . 27191 1 524 . 1 1 122 122 LYS CB C 13 30.4987 0.0000 . 1 . . . . . 119 LYS CB . 27191 1 525 . 1 1 122 122 LYS N N 15 108.5863 0.0000 . 1 . . . . . 119 LYS N . 27191 1 526 . 1 1 123 123 ALA H H 1 8.3941 0.0000 . 1 . . . . . 120 ALA H . 27191 1 527 . 1 1 123 123 ALA C C 13 176.7711 0.0000 . 1 . . . . . 120 ALA C . 27191 1 528 . 1 1 123 123 ALA CA C 13 54.6851 0.0000 . 1 . . . . . 120 ALA CA . 27191 1 529 . 1 1 123 123 ALA CB C 13 15.4392 0.0000 . 1 . . . . . 120 ALA CB . 27191 1 530 . 1 1 123 123 ALA N N 15 118.2109 0.0000 . 1 . . . . . 120 ALA N . 27191 1 531 . 1 1 124 124 LEU H H 1 7.2081 0.0000 . 1 . . . . . 121 LEU H . 27191 1 532 . 1 1 124 124 LEU C C 13 172.5475 0.0000 . 1 . . . . . 121 LEU C . 27191 1 533 . 1 1 124 124 LEU CA C 13 56.4853 0.0000 . 1 . . . . . 121 LEU CA . 27191 1 534 . 1 1 124 124 LEU CB C 13 39.9991 0.0000 . 1 . . . . . 121 LEU CB . 27191 1 535 . 1 1 124 124 LEU N N 15 119.2226 0.0000 . 1 . . . . . 121 LEU N . 27191 1 536 . 1 1 125 125 ALA H H 1 8.6566 0.0000 . 1 . . . . . 122 ALA H . 27191 1 537 . 1 1 125 125 ALA C C 13 174.6585 0.0000 . 1 . . . . . 122 ALA C . 27191 1 538 . 1 1 125 125 ALA CA C 13 53.7414 0.0000 . 1 . . . . . 122 ALA CA . 27191 1 539 . 1 1 125 125 ALA CB C 13 14.8632 0.0000 . 1 . . . . . 122 ALA CB . 27191 1 540 . 1 1 125 125 ALA N N 15 124.3232 0.0000 . 1 . . . . . 122 ALA N . 27191 1 541 . 1 1 126 126 ASP H H 1 7.3888 0.0000 . 1 . . . . . 123 ASP H . 27191 1 542 . 1 1 126 126 ASP C C 13 175.9137 0.0000 . 1 . . . . . 123 ASP C . 27191 1 543 . 1 1 126 126 ASP CA C 13 54.1426 0.0000 . 1 . . . . . 123 ASP CA . 27191 1 544 . 1 1 126 126 ASP CB C 13 38.5226 0.0000 . 1 . . . . . 123 ASP CB . 27191 1 545 . 1 1 126 126 ASP N N 15 113.4442 0.0000 . 1 . . . . . 123 ASP N . 27191 1 546 . 1 1 127 127 SER H H 1 7.4852 0.0000 . 1 . . . . . 124 SER H . 27191 1 547 . 1 1 127 127 SER C C 13 176.1566 0.0000 . 1 . . . . . 124 SER C . 27191 1 548 . 1 1 127 127 SER CA C 13 59.3437 0.0000 . 1 . . . . . 124 SER CA . 27191 1 549 . 1 1 127 127 SER CB C 13 62.1620 0.0000 . 1 . . . . . 124 SER CB . 27191 1 550 . 1 1 127 127 SER N N 15 117.1227 0.0000 . 1 . . . . . 124 SER N . 27191 1 551 . 1 1 128 128 ASP H H 1 8.5719 0.0000 . 1 . . . . . 125 ASP H . 27191 1 552 . 1 1 128 128 ASP C C 13 181.4765 0.0000 . 1 . . . . . 125 ASP C . 27191 1 553 . 1 1 128 128 ASP CA C 13 59.3437 0.0000 . 1 . . . . . 125 ASP CA . 27191 1 554 . 1 1 128 128 ASP N N 15 122.2649 0.0000 . 1 . . . . . 125 ASP N . 27191 1 555 . 1 1 129 129 PRO CA C 13 64.2476 0.0000 . 1 . . . . . 126 PRO CA . 27191 1 556 . 1 1 129 129 PRO CB C 13 32.2774 0.0000 . 1 . . . . . 126 PRO CB . 27191 1 557 . 1 1 130 130 VAL H H 1 9.1413 0.0000 . 1 . . . . . 127 VAL H . 27191 1 558 . 1 1 130 130 VAL C C 13 178.3479 0.0000 . 1 . . . . . 127 VAL C . 27191 1 559 . 1 1 130 130 VAL CA C 13 60.3659 0.0000 . 1 . . . . . 127 VAL CA . 27191 1 560 . 1 1 130 130 VAL CB C 13 31.7804 0.0000 . 1 . . . . . 127 VAL CB . 27191 1 561 . 1 1 130 130 VAL N N 15 109.9531 0.0000 . 1 . . . . . 127 VAL N . 27191 1 562 . 1 1 131 131 ASN H H 1 6.8637 0.0000 . 1 . . . . . 128 ASN H . 27191 1 563 . 1 1 131 131 ASN C C 13 179.6343 0.0000 . 1 . . . . . 128 ASN C . 27191 1 564 . 1 1 131 131 ASN CA C 13 52.9469 0.0000 . 1 . . . . . 128 ASN CA . 27191 1 565 . 1 1 131 131 ASN CB C 13 39.7577 0.0000 . 1 . . . . . 128 ASN CB . 27191 1 566 . 1 1 131 131 ASN N N 15 118.2938 0.0000 . 1 . . . . . 128 ASN N . 27191 1 567 . 1 1 132 132 PHE H H 1 9.1403 0.0000 . 1 . . . . . 129 PHE H . 27191 1 568 . 1 1 132 132 PHE C C 13 179.6335 0.0000 . 1 . . . . . 129 PHE C . 27191 1 569 . 1 1 132 132 PHE CA C 13 55.9077 0.0000 . 1 . . . . . 129 PHE CA . 27191 1 570 . 1 1 132 132 PHE CB C 13 41.4525 0.0000 . 1 . . . . . 129 PHE CB . 27191 1 571 . 1 1 132 132 PHE N N 15 118.3819 0.0000 . 1 . . . . . 129 PHE N . 27191 1 572 . 1 1 133 133 HIS H H 1 9.6055 0.0000 . 1 . . . . . 130 HIS H . 27191 1 573 . 1 1 133 133 HIS C C 13 177.0638 0.0000 . 1 . . . . . 130 HIS C . 27191 1 574 . 1 1 133 133 HIS CA C 13 55.9077 0.0000 . 1 . . . . . 130 HIS CA . 27191 1 575 . 1 1 133 133 HIS N N 15 119.4779 0.0000 . 1 . . . . . 130 HIS N . 27191 1 576 . 1 1 134 134 PRO CA C 13 62.8654 0.0000 . 1 . . . . . 131 PRO CA . 27191 1 577 . 1 1 134 134 PRO CB C 13 25.3502 0.0000 . 1 . . . . . 131 PRO CB . 27191 1 578 . 1 1 135 135 LEU H H 1 7.6733 0.0000 . 1 . . . . . 132 LEU H . 27191 1 579 . 1 1 135 135 LEU C C 13 179.2554 0.0000 . 1 . . . . . 132 LEU C . 27191 1 580 . 1 1 135 135 LEU CA C 13 58.1828 0.0000 . 1 . . . . . 132 LEU CA . 27191 1 581 . 1 1 135 135 LEU CB C 13 35.1740 0.0000 . 1 . . . . . 132 LEU CB . 27191 1 582 . 1 1 135 135 LEU N N 15 108.9530 0.0000 . 1 . . . . . 132 LEU N . 27191 1 583 . 1 1 136 136 LYS H H 1 7.0638 0.0000 . 1 . . . . . 133 LYS H . 27191 1 584 . 1 1 136 136 LYS C C 13 179.9226 0.0000 . 1 . . . . . 133 LYS C . 27191 1 585 . 1 1 136 136 LYS CA C 13 55.7481 0.0000 . 1 . . . . . 133 LYS CA . 27191 1 586 . 1 1 136 136 LYS CB C 13 33.3338 0.0000 . 1 . . . . . 133 LYS CB . 27191 1 587 . 1 1 136 136 LYS N N 15 116.7024 0.0000 . 1 . . . . . 133 LYS N . 27191 1 588 . 1 1 137 137 ASN H H 1 7.7095 0.0000 . 1 . . . . . 134 ASN H . 27191 1 589 . 1 1 137 137 ASN C C 13 178.4075 0.0000 . 1 . . . . . 134 ASN C . 27191 1 590 . 1 1 137 137 ASN CA C 13 52.8233 0.0000 . 1 . . . . . 134 ASN CA . 27191 1 591 . 1 1 137 137 ASN CB C 13 33.1735 0.0000 . 1 . . . . . 134 ASN CB . 27191 1 592 . 1 1 137 137 ASN N N 15 121.1722 0.0000 . 1 . . . . . 134 ASN N . 27191 1 593 . 1 1 138 138 ASP H H 1 7.5663 0.0000 . 1 . . . . . 135 ASP H . 27191 1 594 . 1 1 138 138 ASP C C 13 179.8372 0.0000 . 1 . . . . . 135 ASP C . 27191 1 595 . 1 1 138 138 ASP CA C 13 51.9772 0.0000 . 1 . . . . . 135 ASP CA . 27191 1 596 . 1 1 138 138 ASP CB C 13 36.4057 0.0000 . 1 . . . . . 135 ASP CB . 27191 1 597 . 1 1 138 138 ASP N N 15 118.0129 0.0000 . 1 . . . . . 135 ASP N . 27191 1 598 . 1 1 139 139 ALA H H 1 7.3563 0.0000 . 1 . . . . . 136 ALA H . 27191 1 599 . 1 1 139 139 ALA C C 13 178.7210 0.0000 . 1 . . . . . 136 ALA C . 27191 1 600 . 1 1 139 139 ALA CA C 13 51.5675 0.0000 . 1 . . . . . 136 ALA CA . 27191 1 601 . 1 1 139 139 ALA CB C 13 19.7663 0.0000 . 1 . . . . . 136 ALA CB . 27191 1 602 . 1 1 139 139 ALA N N 15 119.1818 0.0000 . 1 . . . . . 136 ALA N . 27191 1 603 . 1 1 140 140 THR H H 1 9.1974 0.0000 . 1 . . . . . 137 THR H . 27191 1 604 . 1 1 140 140 THR C C 13 176.1333 0.0000 . 1 . . . . . 137 THR C . 27191 1 605 . 1 1 140 140 THR CA C 13 65.4984 0.0000 . 1 . . . . . 137 THR CA . 27191 1 606 . 1 1 140 140 THR CB C 13 69.7436 0.0000 . 1 . . . . . 137 THR CB . 27191 1 607 . 1 1 140 140 THR N N 15 119.0526 0.0000 . 1 . . . . . 137 THR N . 27191 1 608 . 1 1 141 141 THR H H 1 9.5537 0.0000 . 1 . . . . . 138 THR H . 27191 1 609 . 1 1 141 141 THR C C 13 181.7537 0.0000 . 1 . . . . . 138 THR C . 27191 1 610 . 1 1 141 141 THR CA C 13 62.9808 0.0000 . 1 . . . . . 138 THR CA . 27191 1 611 . 1 1 141 141 THR CB C 13 69.0702 0.0000 . 1 . . . . . 138 THR CB . 27191 1 612 . 1 1 141 141 THR N N 15 127.3575 0.0000 . 1 . . . . . 138 THR N . 27191 1 613 . 1 1 142 142 ALA H H 1 9.5034 0.0000 . 1 . . . . . 139 ALA H . 27191 1 614 . 1 1 142 142 ALA C C 13 181.1594 0.0000 . 1 . . . . . 139 ALA C . 27191 1 615 . 1 1 142 142 ALA CA C 13 50.4601 0.0000 . 1 . . . . . 139 ALA CA . 27191 1 616 . 1 1 142 142 ALA CB C 13 19.3262 0.0000 . 1 . . . . . 139 ALA CB . 27191 1 617 . 1 1 142 142 ALA N N 15 129.9362 0.0000 . 1 . . . . . 139 ALA N . 27191 1 618 . 1 1 143 143 VAL H H 1 9.0114 0.0000 . 1 . . . . . 140 VAL H . 27191 1 619 . 1 1 143 143 VAL C C 13 174.5251 0.0000 . 1 . . . . . 140 VAL C . 27191 1 620 . 1 1 143 143 VAL CA C 13 58.6927 0.0000 . 1 . . . . . 140 VAL CA . 27191 1 621 . 1 1 143 143 VAL CB C 13 33.1244 0.0000 . 1 . . . . . 140 VAL CB . 27191 1 622 . 1 1 143 143 VAL N N 15 117.8472 0.0000 . 1 . . . . . 140 VAL N . 27191 1 623 . 1 1 144 144 SER H H 1 9.4082 0.0000 . 1 . . . . . 141 SER H . 27191 1 624 . 1 1 144 144 SER C C 13 178.6447 0.0000 . 1 . . . . . 141 SER C . 27191 1 625 . 1 1 144 144 SER CA C 13 57.8982 0.0000 . 1 . . . . . 141 SER CA . 27191 1 626 . 1 1 144 144 SER CB C 13 61.8973 0.0000 . 1 . . . . . 141 SER CB . 27191 1 627 . 1 1 144 144 SER N N 15 118.4501 0.0000 . 1 . . . . . 141 SER N . 27191 1 628 . 1 1 145 145 GLN H H 1 9.2181 0.0000 . 1 . . . . . 142 GLN H . 27191 1 629 . 1 1 145 145 GLN C C 13 178.1729 0.0000 . 1 . . . . . 142 GLN C . 27191 1 630 . 1 1 145 145 GLN CA C 13 59.2928 0.0000 . 1 . . . . . 142 GLN CA . 27191 1 631 . 1 1 145 145 GLN CB C 13 25.9963 0.0000 . 1 . . . . . 142 GLN CB . 27191 1 632 . 1 1 145 145 GLN N N 15 123.2470 0.0000 . 1 . . . . . 142 GLN N . 27191 1 633 . 1 1 146 146 ALA H H 1 8.8339 0.0000 . 1 . . . . . 143 ALA H . 27191 1 634 . 1 1 146 146 ALA C C 13 174.4997 0.0000 . 1 . . . . . 143 ALA C . 27191 1 635 . 1 1 146 146 ALA CA C 13 55.2239 0.0000 . 1 . . . . . 143 ALA CA . 27191 1 636 . 1 1 146 146 ALA CB C 13 15.0156 0.0000 . 1 . . . . . 143 ALA CB . 27191 1 637 . 1 1 146 146 ALA N N 15 119.7144 0.0000 . 1 . . . . . 143 ALA N . 27191 1 638 . 1 1 147 147 GLY H H 1 8.9669 0.0000 . 1 . . . . . 144 GLY H . 27191 1 639 . 1 1 147 147 GLY C C 13 171.8651 0.0000 . 1 . . . . . 144 GLY C . 27191 1 640 . 1 1 147 147 GLY CA C 13 47.3887 0.0000 . 1 . . . . . 144 GLY CA . 27191 1 641 . 1 1 147 147 GLY N N 15 111.7056 0.0000 . 1 . . . . . 144 GLY N . 27191 1 642 . 1 1 148 148 LEU H H 1 9.0612 0.0000 . 1 . . . . . 145 LEU H . 27191 1 643 . 1 1 148 148 LEU C C 13 177.7537 0.0000 . 1 . . . . . 145 LEU C . 27191 1 644 . 1 1 148 148 LEU CA C 13 58.5203 0.0000 . 1 . . . . . 145 LEU CA . 27191 1 645 . 1 1 148 148 LEU CB C 13 37.7179 0.0000 . 1 . . . . . 145 LEU CB . 27191 1 646 . 1 1 148 148 LEU N N 15 124.3665 0.0000 . 1 . . . . . 145 LEU N . 27191 1 647 . 1 1 149 149 ARG H H 1 8.4658 0.0000 . 1 . . . . . 146 ARG H . 27191 1 648 . 1 1 149 149 ARG C C 13 174.0389 0.0000 . 1 . . . . . 146 ARG C . 27191 1 649 . 1 1 149 149 ARG CA C 13 58.3169 0.0000 . 1 . . . . . 146 ARG CA . 27191 1 650 . 1 1 149 149 ARG CB C 13 24.9631 0.0000 . 1 . . . . . 146 ARG CB . 27191 1 651 . 1 1 149 149 ARG N N 15 115.3676 0.0000 . 1 . . . . . 146 ARG N . 27191 1 652 . 1 1 150 150 ARG H H 1 8.5496 0.0000 . 1 . . . . . 147 ARG H . 27191 1 653 . 1 1 150 150 ARG C C 13 173.0828 0.0000 . 1 . . . . . 147 ARG C . 27191 1 654 . 1 1 150 150 ARG CA C 13 59.7913 0.0000 . 1 . . . . . 147 ARG CA . 27191 1 655 . 1 1 150 150 ARG CB C 13 27.8558 0.0000 . 1 . . . . . 147 ARG CB . 27191 1 656 . 1 1 150 150 ARG N N 15 122.3100 0.0000 . 1 . . . . . 147 ARG N . 27191 1 657 . 1 1 151 151 PHE H H 1 8.6889 0.0000 . 1 . . . . . 148 PHE H . 27191 1 658 . 1 1 151 151 PHE C C 13 174.2148 0.0000 . 1 . . . . . 148 PHE C . 27191 1 659 . 1 1 151 151 PHE CA C 13 61.4321 0.0000 . 1 . . . . . 148 PHE CA . 27191 1 660 . 1 1 151 151 PHE CB C 13 36.0082 0.0000 . 1 . . . . . 148 PHE CB . 27191 1 661 . 1 1 151 151 PHE N N 15 122.0069 0.0000 . 1 . . . . . 148 PHE N . 27191 1 662 . 1 1 152 152 LEU H H 1 8.2752 0.0000 . 1 . . . . . 149 LEU H . 27191 1 663 . 1 1 152 152 LEU C C 13 178.0585 0.0000 . 1 . . . . . 149 LEU C . 27191 1 664 . 1 1 152 152 LEU CA C 13 57.7968 0.0000 . 1 . . . . . 149 LEU CA . 27191 1 665 . 1 1 152 152 LEU CB C 13 37.6529 0.0000 . 1 . . . . . 149 LEU CB . 27191 1 666 . 1 1 152 152 LEU N N 15 116.3123 0.0000 . 1 . . . . . 149 LEU N . 27191 1 667 . 1 1 153 153 ALA H H 1 8.3251 0.0000 . 1 . . . . . 150 ALA H . 27191 1 668 . 1 1 153 153 ALA C C 13 173.8237 0.0000 . 1 . . . . . 150 ALA C . 27191 1 669 . 1 1 153 153 ALA CA C 13 55.0337 0.0000 . 1 . . . . . 150 ALA CA . 27191 1 670 . 1 1 153 153 ALA CB C 13 15.0909 0.0000 . 1 . . . . . 150 ALA CB . 27191 1 671 . 1 1 153 153 ALA N N 15 120.9327 0.0000 . 1 . . . . . 150 ALA N . 27191 1 672 . 1 1 154 154 ALA H H 1 8.1270 0.0000 . 1 . . . . . 151 ALA H . 27191 1 673 . 1 1 154 154 ALA C C 13 171.4832 0.0000 . 1 . . . . . 151 ALA C . 27191 1 674 . 1 1 154 154 ALA CA C 13 54.4918 0.0000 . 1 . . . . . 151 ALA CA . 27191 1 675 . 1 1 154 154 ALA CB C 13 14.6934 0.0000 . 1 . . . . . 151 ALA CB . 27191 1 676 . 1 1 154 154 ALA N N 15 122.0864 0.0000 . 1 . . . . . 151 ALA N . 27191 1 677 . 1 1 155 155 LEU H H 1 7.1165 0.0000 . 1 . . . . . 152 LEU H . 27191 1 678 . 1 1 155 155 LEU C C 13 173.6550 0.0000 . 1 . . . . . 152 LEU C . 27191 1 679 . 1 1 155 155 LEU CA C 13 54.4249 0.0000 . 1 . . . . . 152 LEU CA . 27191 1 680 . 1 1 155 155 LEU CB C 13 40.5134 0.0000 . 1 . . . . . 152 LEU CB . 27191 1 681 . 1 1 155 155 LEU N N 15 116.0661 0.0000 . 1 . . . . . 152 LEU N . 27191 1 682 . 1 1 156 156 GLY H H 1 7.8942 0.0000 . 1 . . . . . 153 GLY H . 27191 1 683 . 1 1 156 156 GLY C C 13 175.8776 0.0000 . 1 . . . . . 153 GLY C . 27191 1 684 . 1 1 156 156 GLY CA C 13 46.1837 0.0000 . 1 . . . . . 153 GLY CA . 27191 1 685 . 1 1 156 156 GLY N N 15 108.9255 0.0000 . 1 . . . . . 153 GLY N . 27191 1 686 . 1 1 157 157 VAL H H 1 7.9914 0.0000 . 1 . . . . . 154 VAL H . 27191 1 687 . 1 1 157 157 VAL C C 13 178.4157 0.0000 . 1 . . . . . 154 VAL C . 27191 1 688 . 1 1 157 157 VAL CA C 13 61.7699 0.0000 . 1 . . . . . 154 VAL CA . 27191 1 689 . 1 1 157 157 VAL CB C 13 30.4472 0.0000 . 1 . . . . . 154 VAL CB . 27191 1 690 . 1 1 157 157 VAL N N 15 121.3260 0.0000 . 1 . . . . . 154 VAL N . 27191 1 691 . 1 1 158 158 GLU H H 1 8.8132 0.0000 . 1 . . . . . 155 GLU H . 27191 1 692 . 1 1 158 158 GLU C C 13 178.4007 0.0000 . 1 . . . . . 155 GLU C . 27191 1 693 . 1 1 158 158 GLU CA C 13 61.7699 0.0000 . 1 . . . . . 155 GLU CA . 27191 1 694 . 1 1 158 158 GLU N N 15 129.2085 0.0000 . 1 . . . . . 155 GLU N . 27191 1 695 . 1 1 159 159 PRO CA C 13 62.3815 0.0000 . 1 . . . . . 156 PRO CA . 27191 1 696 . 1 1 159 159 PRO CB C 13 29.6136 0.0000 . 1 . . . . . 156 PRO CB . 27191 1 697 . 1 1 160 160 MET H H 1 8.4304 0.0000 . 1 . . . . . 157 MET H . 27191 1 698 . 1 1 160 160 MET C C 13 177.6005 0.0000 . 1 . . . . . 157 MET C . 27191 1 699 . 1 1 160 160 MET CA C 13 55.5416 0.0000 . 1 . . . . . 157 MET CA . 27191 1 700 . 1 1 160 160 MET CB C 13 32.0103 0.0000 . 1 . . . . . 157 MET CB . 27191 1 701 . 1 1 160 160 MET N N 15 123.6899 0.0000 . 1 . . . . . 157 MET N . 27191 1 702 . 1 1 161 161 ILE H H 1 9.0552 0.0000 . 1 . . . . . 158 ILE H . 27191 1 703 . 1 1 161 161 ILE C C 13 178.3300 0.0000 . 1 . . . . . 158 ILE C . 27191 1 704 . 1 1 161 161 ILE CA C 13 60.6668 0.0000 . 1 . . . . . 158 ILE CA . 27191 1 705 . 1 1 161 161 ILE CB C 13 33.6687 0.0000 . 1 . . . . . 158 ILE CB . 27191 1 706 . 1 1 161 161 ILE N N 15 129.4338 0.0000 . 1 . . . . . 158 ILE N . 27191 1 707 . 1 1 162 162 VAL H H 1 8.0760 0.0000 . 1 . . . . . 159 VAL H . 27191 1 708 . 1 1 162 162 VAL C C 13 177.6920 0.0000 . 1 . . . . . 159 VAL C . 27191 1 709 . 1 1 162 162 VAL CA C 13 60.5652 0.0000 . 1 . . . . . 159 VAL CA . 27191 1 710 . 1 1 162 162 VAL CB C 13 33.1206 0.0000 . 1 . . . . . 159 VAL CB . 27191 1 711 . 1 1 162 162 VAL N N 15 126.9705 0.0000 . 1 . . . . . 159 VAL N . 27191 1 712 . 1 1 163 163 ASP H H 1 8.6755 0.0000 . 1 . . . . . 160 ASP H . 27191 1 713 . 1 1 163 163 ASP C C 13 178.7938 0.0000 . 1 . . . . . 160 ASP C . 27191 1 714 . 1 1 163 163 ASP CA C 13 52.3960 0.0000 . 1 . . . . . 160 ASP CA . 27191 1 715 . 1 1 163 163 ASP CB C 13 38.9300 0.0000 . 1 . . . . . 160 ASP CB . 27191 1 716 . 1 1 163 163 ASP N N 15 126.2153 0.0000 . 1 . . . . . 160 ASP N . 27191 1 717 . 1 1 164 164 PHE H H 1 9.3792 0.0000 . 1 . . . . . 161 PHE H . 27191 1 718 . 1 1 164 164 PHE C C 13 176.1830 0.0000 . 1 . . . . . 161 PHE C . 27191 1 719 . 1 1 164 164 PHE CA C 13 61.9916 0.0000 . 1 . . . . . 161 PHE CA . 27191 1 720 . 1 1 164 164 PHE CB C 13 36.2876 0.0000 . 1 . . . . . 161 PHE CB . 27191 1 721 . 1 1 164 164 PHE N N 15 126.2211 0.0000 . 1 . . . . . 161 PHE N . 27191 1 722 . 1 1 165 165 ALA H H 1 8.2770 0.0000 . 1 . . . . . 162 ALA H . 27191 1 723 . 1 1 165 165 ALA C C 13 177.4264 0.0000 . 1 . . . . . 162 ALA C . 27191 1 724 . 1 1 165 165 ALA CA C 13 54.2074 0.0000 . 1 . . . . . 162 ALA CA . 27191 1 725 . 1 1 165 165 ALA CB C 13 15.6169 0.0000 . 1 . . . . . 162 ALA CB . 27191 1 726 . 1 1 165 165 ALA N N 15 123.3175 0.0000 . 1 . . . . . 162 ALA N . 27191 1 727 . 1 1 166 166 ALA H H 1 7.7465 0.0000 . 1 . . . . . 163 ALA H . 27191 1 728 . 1 1 166 166 ALA C C 13 174.0017 0.0000 . 1 . . . . . 163 ALA C . 27191 1 729 . 1 1 166 166 ALA CA C 13 52.0356 0.0000 . 1 . . . . . 163 ALA CA . 27191 1 730 . 1 1 166 166 ALA CB C 13 16.5137 0.0000 . 1 . . . . . 163 ALA CB . 27191 1 731 . 1 1 166 166 ALA N N 15 119.8932 0.0000 . 1 . . . . . 163 ALA N . 27191 1 732 . 1 1 167 167 MET H H 1 8.0013 0.0000 . 1 . . . . . 164 MET H . 27191 1 733 . 1 1 167 167 MET C C 13 175.8933 0.0000 . 1 . . . . . 164 MET C . 27191 1 734 . 1 1 167 167 MET CA C 13 55.0426 0.0000 . 1 . . . . . 164 MET CA . 27191 1 735 . 1 1 167 167 MET CB C 13 25.6896 0.0000 . 1 . . . . . 164 MET CB . 27191 1 736 . 1 1 167 167 MET N N 15 114.1351 0.0000 . 1 . . . . . 164 MET N . 27191 1 737 . 1 1 168 168 GLU H H 1 7.5449 0.0000 . 1 . . . . . 165 GLU H . 27191 1 738 . 1 1 168 168 GLU C C 13 179.2537 0.0000 . 1 . . . . . 165 GLU C . 27191 1 739 . 1 1 168 168 GLU CA C 13 59.4348 0.0000 . 1 . . . . . 165 GLU CA . 27191 1 740 . 1 1 168 168 GLU CB C 13 31.8655 0.0000 . 1 . . . . . 165 GLU CB . 27191 1 741 . 1 1 168 168 GLU N N 15 115.4324 0.0000 . 1 . . . . . 165 GLU N . 27191 1 742 . 1 1 169 169 VAL H H 1 8.8163 0.0000 . 1 . . . . . 166 VAL H . 27191 1 743 . 1 1 169 169 VAL C C 13 178.3402 0.0000 . 1 . . . . . 166 VAL C . 27191 1 744 . 1 1 169 169 VAL CA C 13 63.3272 0.0000 . 1 . . . . . 166 VAL CA . 27191 1 745 . 1 1 169 169 VAL CB C 13 29.1374 0.0000 . 1 . . . . . 166 VAL CB . 27191 1 746 . 1 1 169 169 VAL N N 15 124.1991 0.0000 . 1 . . . . . 166 VAL N . 27191 1 747 . 1 1 170 170 VAL H H 1 8.7891 0.0000 . 1 . . . . . 167 VAL H . 27191 1 748 . 1 1 170 170 VAL C C 13 176.5085 0.0000 . 1 . . . . . 167 VAL C . 27191 1 749 . 1 1 170 170 VAL CA C 13 55.5911 0.0000 . 1 . . . . . 167 VAL CA . 27191 1 750 . 1 1 170 170 VAL CB C 13 29.7426 0.0000 . 1 . . . . . 167 VAL CB . 27191 1 751 . 1 1 170 170 VAL N N 15 124.7191 0.0000 . 1 . . . . . 167 VAL N . 27191 1 752 . 1 1 171 171 GLY H H 1 7.9245 0.0000 . 1 . . . . . 168 GLY H . 27191 1 753 . 1 1 171 171 GLY C C 13 177.9783 0.0000 . 1 . . . . . 168 GLY C . 27191 1 754 . 1 1 171 171 GLY CA C 13 55.5911 0.0000 . 1 . . . . . 168 GLY CA . 27191 1 755 . 1 1 171 171 GLY N N 15 118.6487 0.0000 . 1 . . . . . 168 GLY N . 27191 1 stop_ save_