data_25642 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25642 _Entry.Title ; Atomic structure of the cytoskeletal bactofilin BacA revealed by solid-state NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-29 _Entry.Accession_date 2015-05-29 _Entry.Last_release_date 2015-12-14 _Entry.Original_release_date 2015-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Chaowei Shi . . . . 25642 2 Pascal Fricke . . . . 25642 3 Lin Lin . . . . 25642 4 Veniamin Chevelkov . . . . 25642 5 Melanie Wegstroth . . . . 25642 6 Stefan Becker . . . . 25642 7 Martin Thanbichler . . . . 25642 8 Adam Lange . . . . 25642 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 Other 'not applicable' . 25642 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BacA . 25642 Bactofilin . 25642 'beta helix' . 25642 'cell shape' . 25642 cytoskeleton . 25642 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25642 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 25642 '15N chemical shifts' 102 25642 '1H chemical shifts' 97 25642 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 . . 2016-08-19 2015-05-29 update BMRB 'update entry citation' 25642 1 . . 2015-12-14 2015-05-29 original author 'original release' 25642 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N3D 'BMRB Entry Tracking System' 25642 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25642 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26665178 _Citation.Full_citation . _Citation.Title ; Atomic-resolution structure of cytoskeletal bactofilin by solid-state NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 11 _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 e1501087 _Citation.Page_last e1501087 _Citation.Year 2015 _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 Chaowei Shi . . . . 25642 1 2 Pascal Fricke . . . . 25642 1 3 Lin Lin . . . . 25642 1 4 Veniamin Chevelkov . . . . 25642 1 5 Melanie Wegstroth . . . . 25642 1 6 Stefan Becker . . . . 25642 1 7 Martin Thanbichler . . . . 25642 1 8 Adam Lange . . . . 25642 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25642 _Assembly.ID 1 _Assembly.Name 'cytoskeletal bactofilin BacA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25642 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25642 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sample_uni _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFSKQAKSNNKAPARIEPLP TPMAATPAEPARRAPPKVAS LLSADLTIEGGVTGEGELQI DGVVKGDVRVGRLTVGETGH VEGSVYAEAVEVRGRVVGAI TSKQVRLYGTSYVDGDITHE QLAMETGAFFQGRSLKFQRP APAPSQPAPHPEHLAIAKSA GGAPENSSSVDKLAAALEHH HHHH ; _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 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10938.355 _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 . 25642 1 2 2 PHE . 25642 1 3 3 SER . 25642 1 4 4 LYS . 25642 1 5 5 GLN . 25642 1 6 6 ALA . 25642 1 7 7 LYS . 25642 1 8 8 SER . 25642 1 9 9 ASN . 25642 1 10 10 ASN . 25642 1 11 11 LYS . 25642 1 12 12 ALA . 25642 1 13 13 PRO . 25642 1 14 14 ALA . 25642 1 15 15 ARG . 25642 1 16 16 ILE . 25642 1 17 17 GLU . 25642 1 18 18 PRO . 25642 1 19 19 LEU . 25642 1 20 20 PRO . 25642 1 21 21 THR . 25642 1 22 22 PRO . 25642 1 23 23 MET . 25642 1 24 24 ALA . 25642 1 25 25 ALA . 25642 1 26 26 THR . 25642 1 27 27 PRO . 25642 1 28 28 ALA . 25642 1 29 29 GLU . 25642 1 30 30 PRO . 25642 1 31 31 ALA . 25642 1 32 32 ARG . 25642 1 33 33 ARG . 25642 1 34 34 ALA . 25642 1 35 35 PRO . 25642 1 36 36 PRO . 25642 1 37 37 LYS . 25642 1 38 38 VAL . 25642 1 39 39 ALA . 25642 1 40 40 SER . 25642 1 41 41 LEU . 25642 1 42 42 LEU . 25642 1 43 43 SER . 25642 1 44 44 ALA . 25642 1 45 45 ASP . 25642 1 46 46 LEU . 25642 1 47 47 THR . 25642 1 48 48 ILE . 25642 1 49 49 GLU . 25642 1 50 50 GLY . 25642 1 51 51 GLY . 25642 1 52 52 VAL . 25642 1 53 53 THR . 25642 1 54 54 GLY . 25642 1 55 55 GLU . 25642 1 56 56 GLY . 25642 1 57 57 GLU . 25642 1 58 58 LEU . 25642 1 59 59 GLN . 25642 1 60 60 ILE . 25642 1 61 61 ASP . 25642 1 62 62 GLY . 25642 1 63 63 VAL . 25642 1 64 64 VAL . 25642 1 65 65 LYS . 25642 1 66 66 GLY . 25642 1 67 67 ASP . 25642 1 68 68 VAL . 25642 1 69 69 ARG . 25642 1 70 70 VAL . 25642 1 71 71 GLY . 25642 1 72 72 ARG . 25642 1 73 73 LEU . 25642 1 74 74 THR . 25642 1 75 75 VAL . 25642 1 76 76 GLY . 25642 1 77 77 GLU . 25642 1 78 78 THR . 25642 1 79 79 GLY . 25642 1 80 80 HIS . 25642 1 81 81 VAL . 25642 1 82 82 GLU . 25642 1 83 83 GLY . 25642 1 84 84 SER . 25642 1 85 85 VAL . 25642 1 86 86 TYR . 25642 1 87 87 ALA . 25642 1 88 88 GLU . 25642 1 89 89 ALA . 25642 1 90 90 VAL . 25642 1 91 91 GLU . 25642 1 92 92 VAL . 25642 1 93 93 ARG . 25642 1 94 94 GLY . 25642 1 95 95 ARG . 25642 1 96 96 VAL . 25642 1 97 97 VAL . 25642 1 98 98 GLY . 25642 1 99 99 ALA . 25642 1 100 100 ILE . 25642 1 101 101 THR . 25642 1 102 102 SER . 25642 1 103 103 LYS . 25642 1 104 104 GLN . 25642 1 105 105 VAL . 25642 1 106 106 ARG . 25642 1 107 107 LEU . 25642 1 108 108 TYR . 25642 1 109 109 GLY . 25642 1 110 110 THR . 25642 1 111 111 SER . 25642 1 112 112 TYR . 25642 1 113 113 VAL . 25642 1 114 114 ASP . 25642 1 115 115 GLY . 25642 1 116 116 ASP . 25642 1 117 117 ILE . 25642 1 118 118 THR . 25642 1 119 119 HIS . 25642 1 120 120 GLU . 25642 1 121 121 GLN . 25642 1 122 122 LEU . 25642 1 123 123 ALA . 25642 1 124 124 MET . 25642 1 125 125 GLU . 25642 1 126 126 THR . 25642 1 127 127 GLY . 25642 1 128 128 ALA . 25642 1 129 129 PHE . 25642 1 130 130 PHE . 25642 1 131 131 GLN . 25642 1 132 132 GLY . 25642 1 133 133 ARG . 25642 1 134 134 SER . 25642 1 135 135 LEU . 25642 1 136 136 LYS . 25642 1 137 137 PHE . 25642 1 138 138 GLN . 25642 1 139 139 ARG . 25642 1 140 140 PRO . 25642 1 141 141 ALA . 25642 1 142 142 PRO . 25642 1 143 143 ALA . 25642 1 144 144 PRO . 25642 1 145 145 SER . 25642 1 146 146 GLN . 25642 1 147 147 PRO . 25642 1 148 148 ALA . 25642 1 149 149 PRO . 25642 1 150 150 HIS . 25642 1 151 151 PRO . 25642 1 152 152 GLU . 25642 1 153 153 HIS . 25642 1 154 154 LEU . 25642 1 155 155 ALA . 25642 1 156 156 ILE . 25642 1 157 157 ALA . 25642 1 158 158 LYS . 25642 1 159 159 SER . 25642 1 160 160 ALA . 25642 1 161 161 GLY . 25642 1 162 162 GLY . 25642 1 163 163 ALA . 25642 1 164 164 PRO . 25642 1 165 165 GLU . 25642 1 166 166 ASN . 25642 1 167 167 SER . 25642 1 168 168 SER . 25642 1 169 169 SER . 25642 1 170 170 VAL . 25642 1 171 171 ASP . 25642 1 172 172 LYS . 25642 1 173 173 LEU . 25642 1 174 174 ALA . 25642 1 175 175 ALA . 25642 1 176 176 ALA . 25642 1 177 177 LEU . 25642 1 178 178 GLU . 25642 1 179 179 HIS . 25642 1 180 180 HIS . 25642 1 181 181 HIS . 25642 1 182 182 HIS . 25642 1 183 183 HIS . 25642 1 184 184 HIS . 25642 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 25642 1 . PHE 2 2 25642 1 . SER 3 3 25642 1 . LYS 4 4 25642 1 . GLN 5 5 25642 1 . ALA 6 6 25642 1 . LYS 7 7 25642 1 . SER 8 8 25642 1 . ASN 9 9 25642 1 . ASN 10 10 25642 1 . LYS 11 11 25642 1 . ALA 12 12 25642 1 . PRO 13 13 25642 1 . ALA 14 14 25642 1 . ARG 15 15 25642 1 . ILE 16 16 25642 1 . GLU 17 17 25642 1 . PRO 18 18 25642 1 . LEU 19 19 25642 1 . PRO 20 20 25642 1 . THR 21 21 25642 1 . PRO 22 22 25642 1 . MET 23 23 25642 1 . ALA 24 24 25642 1 . ALA 25 25 25642 1 . THR 26 26 25642 1 . PRO 27 27 25642 1 . ALA 28 28 25642 1 . GLU 29 29 25642 1 . PRO 30 30 25642 1 . ALA 31 31 25642 1 . ARG 32 32 25642 1 . ARG 33 33 25642 1 . ALA 34 34 25642 1 . PRO 35 35 25642 1 . PRO 36 36 25642 1 . LYS 37 37 25642 1 . VAL 38 38 25642 1 . ALA 39 39 25642 1 . SER 40 40 25642 1 . LEU 41 41 25642 1 . LEU 42 42 25642 1 . SER 43 43 25642 1 . ALA 44 44 25642 1 . ASP 45 45 25642 1 . LEU 46 46 25642 1 . THR 47 47 25642 1 . ILE 48 48 25642 1 . GLU 49 49 25642 1 . GLY 50 50 25642 1 . GLY 51 51 25642 1 . VAL 52 52 25642 1 . THR 53 53 25642 1 . GLY 54 54 25642 1 . GLU 55 55 25642 1 . GLY 56 56 25642 1 . GLU 57 57 25642 1 . LEU 58 58 25642 1 . GLN 59 59 25642 1 . ILE 60 60 25642 1 . ASP 61 61 25642 1 . GLY 62 62 25642 1 . VAL 63 63 25642 1 . VAL 64 64 25642 1 . LYS 65 65 25642 1 . GLY 66 66 25642 1 . ASP 67 67 25642 1 . VAL 68 68 25642 1 . ARG 69 69 25642 1 . VAL 70 70 25642 1 . GLY 71 71 25642 1 . ARG 72 72 25642 1 . LEU 73 73 25642 1 . THR 74 74 25642 1 . VAL 75 75 25642 1 . GLY 76 76 25642 1 . GLU 77 77 25642 1 . THR 78 78 25642 1 . GLY 79 79 25642 1 . HIS 80 80 25642 1 . VAL 81 81 25642 1 . GLU 82 82 25642 1 . GLY 83 83 25642 1 . SER 84 84 25642 1 . VAL 85 85 25642 1 . TYR 86 86 25642 1 . ALA 87 87 25642 1 . GLU 88 88 25642 1 . ALA 89 89 25642 1 . VAL 90 90 25642 1 . GLU 91 91 25642 1 . VAL 92 92 25642 1 . ARG 93 93 25642 1 . GLY 94 94 25642 1 . ARG 95 95 25642 1 . VAL 96 96 25642 1 . VAL 97 97 25642 1 . GLY 98 98 25642 1 . ALA 99 99 25642 1 . ILE 100 100 25642 1 . THR 101 101 25642 1 . SER 102 102 25642 1 . LYS 103 103 25642 1 . GLN 104 104 25642 1 . VAL 105 105 25642 1 . ARG 106 106 25642 1 . LEU 107 107 25642 1 . TYR 108 108 25642 1 . GLY 109 109 25642 1 . THR 110 110 25642 1 . SER 111 111 25642 1 . TYR 112 112 25642 1 . VAL 113 113 25642 1 . ASP 114 114 25642 1 . GLY 115 115 25642 1 . ASP 116 116 25642 1 . ILE 117 117 25642 1 . THR 118 118 25642 1 . HIS 119 119 25642 1 . GLU 120 120 25642 1 . GLN 121 121 25642 1 . LEU 122 122 25642 1 . ALA 123 123 25642 1 . MET 124 124 25642 1 . GLU 125 125 25642 1 . THR 126 126 25642 1 . GLY 127 127 25642 1 . ALA 128 128 25642 1 . PHE 129 129 25642 1 . PHE 130 130 25642 1 . GLN 131 131 25642 1 . GLY 132 132 25642 1 . ARG 133 133 25642 1 . SER 134 134 25642 1 . LEU 135 135 25642 1 . LYS 136 136 25642 1 . PHE 137 137 25642 1 . GLN 138 138 25642 1 . ARG 139 139 25642 1 . PRO 140 140 25642 1 . ALA 141 141 25642 1 . PRO 142 142 25642 1 . ALA 143 143 25642 1 . PRO 144 144 25642 1 . SER 145 145 25642 1 . GLN 146 146 25642 1 . PRO 147 147 25642 1 . ALA 148 148 25642 1 . PRO 149 149 25642 1 . HIS 150 150 25642 1 . PRO 151 151 25642 1 . GLU 152 152 25642 1 . HIS 153 153 25642 1 . LEU 154 154 25642 1 . ALA 155 155 25642 1 . ILE 156 156 25642 1 . ALA 157 157 25642 1 . LYS 158 158 25642 1 . SER 159 159 25642 1 . ALA 160 160 25642 1 . GLY 161 161 25642 1 . GLY 162 162 25642 1 . ALA 163 163 25642 1 . PRO 164 164 25642 1 . GLU 165 165 25642 1 . ASN 166 166 25642 1 . SER 167 167 25642 1 . SER 168 168 25642 1 . SER 169 169 25642 1 . VAL 170 170 25642 1 . ASP 171 171 25642 1 . LYS 172 172 25642 1 . LEU 173 173 25642 1 . ALA 174 174 25642 1 . ALA 175 175 25642 1 . ALA 176 176 25642 1 . LEU 177 177 25642 1 . GLU 178 178 25642 1 . HIS 179 179 25642 1 . HIS 180 180 25642 1 . HIS 181 181 25642 1 . HIS 182 182 25642 1 . HIS 183 183 25642 1 . HIS 184 184 25642 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 25642 _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 $entity . 155892 organism . 'Caulobacter crescentus' a-proteobacteria . . Bacteria . Caulobacter crescentus . . . . . . . . . . . . . 25642 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 25642 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 25642 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_uni _Sample.Sf_category sample _Sample.Sf_framecode sample_uni _Sample.Entry_ID 25642 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 sample_uni '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 95 . . % . . . . 25642 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25642 1 3 H2O 'natural abundance' . . . . . . 3 . . % . . . . 25642 1 4 DSS 'natural abundance' . . . . . . 0.1 . . % . . . . 25642 1 stop_ save_ save_sample_2gly _Sample.Sf_category sample _Sample.Sf_framecode sample_2gly _Sample.Entry_ID 25642 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 sample_uni '[2- 13C] Glycerol' . . 1 $entity . . 95 . . % . . . . 25642 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25642 2 3 H2O 'natural abundance' . . . . . . 3 . . % . . . . 25642 2 4 DSS 'natural abundance' . . . . . . 0.1 . . % . . . . 25642 2 stop_ save_ save_sample_13gly _Sample.Sf_category sample _Sample.Sf_framecode sample_13gly _Sample.Entry_ID 25642 _Sample.ID 3 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 sample_uni '[1,3- 13C] Glycerol' . . 1 $entity . . 95 . . % . . . . 25642 3 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25642 3 3 H2O 'natural abundance' . . . . . . 3 . . % . . . . 25642 3 4 DSS 'natural abundance' . . . . . . 0.1 . . % . . . . 25642 3 stop_ save_ save_sample_deu _Sample.Sf_category sample _Sample.Sf_framecode sample_deu _Sample.Entry_ID 25642 _Sample.ID 4 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 sample_deu '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $entity . . 95 . . % . . . . 25642 4 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 25642 4 3 H2O 'natural abundance' . . . . . . 3 . . % . . . . 25642 4 4 DSS 'natural abundance' . . . . . . 0.1 . . % . . . . 25642 4 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 25642 4 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25642 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25642 _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' 20 . mM 25642 1 pH 7.5 . pH 25642 1 pressure 1 . atm 25642 1 temperature 277 . K 25642 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25642 _Sample_condition_list.ID 2 _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' 50 . mM 25642 2 pH 8 . pH 25642 2 pressure 1 . atm 25642 2 temperature 301 . K 25642 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25642 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25642 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25642 1 'chemical shift calculation' 25642 1 'peak picking' 25642 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 25642 _Software.ID 2 _Software.Name CCPN _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25642 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25642 2 'chemical shift calculation' 25642 2 'peak picking' 25642 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25642 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25642 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 25642 3 collection 25642 3 processing 25642 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25642 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version 2.37 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25642 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25642 4 refinement 25642 4 'structure solution' 25642 4 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 25642 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25642 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25642 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25642 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 25642 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25642 1 2 spectrometer_2 Bruker Avance . 800 . . . 25642 1 3 spectrometer_3 Bruker Avance . 900 . . . 25642 1 4 spectrometer_4 Bruker Avance . 850 . . . 25642 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 25642 _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 PDSD no . . . . . . . . . . 1 $sample_uni solid . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25642 1 2 '3D NCACX' no . . . . . . . . . . 1 $sample_uni solid . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25642 1 3 '3D NCOCX' no . . . . . . . . . . 1 $sample_uni solid . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25642 1 4 '3D NCOCA' no . . . . . . . . . . 1 $sample_uni solid . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25642 1 5 '3D NCACO' no . . . . . . . . . . 1 $sample_uni solid . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25642 1 6 PDSD no . . . . . . . . . . 2 $sample_2gly solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25642 1 7 PDSD no . . . . . . . . . . 2 $sample_2gly solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25642 1 8 PDSD no . . . . . . . . . . 3 $sample_13gly solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25642 1 9 PDSD no . . . . . . . . . . 3 $sample_13gly solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25642 1 10 '2D NHHC' no . . . . . . . . . . 3 $sample_13gly solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25642 1 11 '3D (H)CANH' no . . . . . . . . . . 4 $sample_deu solid . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25642 1 12 '3D (H)CONH' no . . . . . . . . . . 4 $sample_deu solid . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25642 1 13 '3D (H)CACO(N)H' no . . . . . . . . . . 4 $sample_deu solid . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25642 1 14 '3D (H)COCA(N)H' no . . . . . . . . . . 4 $sample_deu solid . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25642 1 15 '3D (H)CA(CO)NH' no . . . . . . . . . . 4 $sample_deu solid . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25642 1 16 '4D HN(H)(H)NH' no . . . . . . . . . . 4 $sample_deu solid . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25642 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 25642 _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 internal indirect 0.251449530 . . . . . 25642 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 25642 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 25642 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 25642 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 PDSD . . . 25642 1 2 '3D NCACX' . . . 25642 1 3 '3D NCOCX' . . . 25642 1 4 '3D NCOCA' . . . 25642 1 5 '3D NCACO' . . . 25642 1 11 '3D (H)CANH' . . . 25642 1 12 '3D (H)CONH' . . . 25642 1 13 '3D (H)CACO(N)H' . . . 25642 1 14 '3D (H)COCA(N)H' . . . 25642 1 15 '3D (H)CA(CO)NH' . . . 25642 1 16 '4D HN(H)(H)NH' . . . 25642 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 38 38 VAL C C 13 175.90 0.00 . . . . . A 38 VAL C . 25642 1 2 . 1 1 39 39 ALA H H 1 8.20 0.05 . . . . . A 39 ALA H . 25642 1 3 . 1 1 39 39 ALA C C 13 177.44 0.15 . . . . . A 39 ALA C . 25642 1 4 . 1 1 39 39 ALA CA C 13 52.38 0.11 . . . . . A 39 ALA CA . 25642 1 5 . 1 1 39 39 ALA CB C 13 19.82 0.09 . . . . . A 39 ALA CB . 25642 1 6 . 1 1 39 39 ALA N N 15 130.02 0.20 . . . . . A 39 ALA N . 25642 1 7 . 1 1 40 40 SER H H 1 7.97 0.05 . . . . . A 40 SER H . 25642 1 8 . 1 1 40 40 SER C C 13 173.46 0.08 . . . . . A 40 SER C . 25642 1 9 . 1 1 40 40 SER CA C 13 60.04 0.18 . . . . . A 40 SER CA . 25642 1 10 . 1 1 40 40 SER CB C 13 66.42 0.17 . . . . . A 40 SER CB . 25642 1 11 . 1 1 40 40 SER N N 15 115.08 0.33 . . . . . A 40 SER N . 25642 1 12 . 1 1 41 41 LEU H H 1 9.49 0.05 . . . . . A 41 LEU H . 25642 1 13 . 1 1 41 41 LEU C C 13 174.13 0.10 . . . . . A 41 LEU C . 25642 1 14 . 1 1 41 41 LEU CA C 13 54.66 0.12 . . . . . A 41 LEU CA . 25642 1 15 . 1 1 41 41 LEU CB C 13 46.30 0.14 . . . . . A 41 LEU CB . 25642 1 16 . 1 1 41 41 LEU CG C 13 28.32 0.16 . . . . . A 41 LEU CG . 25642 1 17 . 1 1 41 41 LEU CD1 C 13 25.72 0.22 . 2 . . . A 41 LEU CD1 . 25642 1 18 . 1 1 41 41 LEU CD2 C 13 23.78 0.09 . 2 . . . A 41 LEU CD2 . 25642 1 19 . 1 1 41 41 LEU N N 15 127.86 0.19 . . . . . A 41 LEU N . 25642 1 20 . 1 1 42 42 LEU H H 1 8.64 0.05 . . . . . A 42 LEU H . 25642 1 21 . 1 1 42 42 LEU C C 13 175.12 0.09 . . . . . A 42 LEU C . 25642 1 22 . 1 1 42 42 LEU CA C 13 52.71 0.18 . . . . . A 42 LEU CA . 25642 1 23 . 1 1 42 42 LEU CB C 13 41.46 0.01 . . . . . A 42 LEU CB . 25642 1 24 . 1 1 42 42 LEU CG C 13 26.91 0.08 . . . . . A 42 LEU CG . 25642 1 25 . 1 1 42 42 LEU CD1 C 13 26.18 0.06 . 2 . . . A 42 LEU CD1 . 25642 1 26 . 1 1 42 42 LEU N N 15 126.73 0.41 . . . . . A 42 LEU N . 25642 1 27 . 1 1 43 43 SER H H 1 9.06 0.05 . . . . . A 43 SER H . 25642 1 28 . 1 1 43 43 SER C C 13 172.81 0.11 . . . . . A 43 SER C . 25642 1 29 . 1 1 43 43 SER CA C 13 58.99 0.17 . . . . . A 43 SER CA . 25642 1 30 . 1 1 43 43 SER CB C 13 64.20 0.24 . . . . . A 43 SER CB . 25642 1 31 . 1 1 43 43 SER N N 15 123.53 0.26 . . . . . A 43 SER N . 25642 1 32 . 1 1 44 44 ALA H H 1 8.49 0.05 . . . . . A 44 ALA H . 25642 1 33 . 1 1 44 44 ALA C C 13 177.72 0.07 . . . . . A 44 ALA C . 25642 1 34 . 1 1 44 44 ALA CA C 13 54.00 0.25 . . . . . A 44 ALA CA . 25642 1 35 . 1 1 44 44 ALA CB C 13 18.73 0.25 . . . . . A 44 ALA CB . 25642 1 36 . 1 1 44 44 ALA N N 15 119.25 0.20 . . . . . A 44 ALA N . 25642 1 37 . 1 1 45 45 ASP H H 1 8.08 0.05 . . . . . A 45 ASP H . 25642 1 38 . 1 1 45 45 ASP C C 13 175.80 0.11 . . . . . A 45 ASP C . 25642 1 39 . 1 1 45 45 ASP CA C 13 53.98 0.19 . . . . . A 45 ASP CA . 25642 1 40 . 1 1 45 45 ASP CB C 13 41.68 0.08 . . . . . A 45 ASP CB . 25642 1 41 . 1 1 45 45 ASP N N 15 114.45 0.18 . . . . . A 45 ASP N . 25642 1 42 . 1 1 46 46 LEU H H 1 7.86 0.05 . . . . . A 46 LEU H . 25642 1 43 . 1 1 46 46 LEU C C 13 176.29 0.13 . . . . . A 46 LEU C . 25642 1 44 . 1 1 46 46 LEU CA C 13 54.62 0.30 . . . . . A 46 LEU CA . 25642 1 45 . 1 1 46 46 LEU CB C 13 45.96 0.06 . . . . . A 46 LEU CB . 25642 1 46 . 1 1 46 46 LEU CG C 13 27.34 0.10 . . . . . A 46 LEU CG . 25642 1 47 . 1 1 46 46 LEU N N 15 122.20 0.13 . . . . . A 46 LEU N . 25642 1 48 . 1 1 47 47 THR H H 1 9.00 0.05 . . . . . A 47 THR H . 25642 1 49 . 1 1 47 47 THR C C 13 174.14 0.08 . . . . . A 47 THR C . 25642 1 50 . 1 1 47 47 THR CA C 13 61.65 0.17 . . . . . A 47 THR CA . 25642 1 51 . 1 1 47 47 THR CB C 13 71.21 0.16 . . . . . A 47 THR CB . 25642 1 52 . 1 1 47 47 THR CG2 C 13 21.28 0.11 . . . . . A 47 THR CG2 . 25642 1 53 . 1 1 47 47 THR N N 15 119.85 0.26 . . . . . A 47 THR N . 25642 1 54 . 1 1 48 48 ILE H H 1 9.33 0.05 . . . . . A 48 ILE H . 25642 1 55 . 1 1 48 48 ILE C C 13 174.81 0.11 . . . . . A 48 ILE C . 25642 1 56 . 1 1 48 48 ILE CA C 13 59.15 0.16 . . . . . A 48 ILE CA . 25642 1 57 . 1 1 48 48 ILE CB C 13 40.11 0.15 . . . . . A 48 ILE CB . 25642 1 58 . 1 1 48 48 ILE CG1 C 13 29.15 0.14 . . . . . A 48 ILE CG1 . 25642 1 59 . 1 1 48 48 ILE CG2 C 13 17.32 0.07 . . . . . A 48 ILE CG2 . 25642 1 60 . 1 1 48 48 ILE CD1 C 13 14.53 0.16 . . . . . A 48 ILE CD1 . 25642 1 61 . 1 1 48 48 ILE N N 15 128.09 0.09 . . . . . A 48 ILE N . 25642 1 62 . 1 1 49 49 GLU H H 1 8.83 0.05 . . . . . A 49 GLU H . 25642 1 63 . 1 1 49 49 GLU C C 13 175.16 0.14 . . . . . A 49 GLU C . 25642 1 64 . 1 1 49 49 GLU CA C 13 54.50 0.14 . . . . . A 49 GLU CA . 25642 1 65 . 1 1 49 49 GLU CB C 13 30.36 0.21 . . . . . A 49 GLU CB . 25642 1 66 . 1 1 49 49 GLU CG C 13 36.75 0.09 . . . . . A 49 GLU CG . 25642 1 67 . 1 1 49 49 GLU CD C 13 183.90 0.09 . . . . . A 49 GLU CD . 25642 1 68 . 1 1 49 49 GLU N N 15 129.08 0.30 . . . . . A 49 GLU N . 25642 1 69 . 1 1 50 50 GLY H H 1 8.32 0.05 . . . . . A 50 GLY H . 25642 1 70 . 1 1 50 50 GLY C C 13 170.51 0.18 . . . . . A 50 GLY C . 25642 1 71 . 1 1 50 50 GLY CA C 13 45.06 0.13 . . . . . A 50 GLY CA . 25642 1 72 . 1 1 50 50 GLY N N 15 114.25 0.17 . . . . . A 50 GLY N . 25642 1 73 . 1 1 51 51 GLY H H 1 8.00 0.05 . . . . . A 51 GLY H . 25642 1 74 . 1 1 51 51 GLY C C 13 174.23 0.13 . . . . . A 51 GLY C . 25642 1 75 . 1 1 51 51 GLY CA C 13 44.88 0.13 . . . . . A 51 GLY CA . 25642 1 76 . 1 1 51 51 GLY N N 15 102.74 0.46 . . . . . A 51 GLY N . 25642 1 77 . 1 1 52 52 VAL H H 1 8.55 0.05 . . . . . A 52 VAL H . 25642 1 78 . 1 1 52 52 VAL C C 13 175.29 0.10 . . . . . A 52 VAL C . 25642 1 79 . 1 1 52 52 VAL CA C 13 61.17 0.13 . . . . . A 52 VAL CA . 25642 1 80 . 1 1 52 52 VAL CB C 13 34.95 0.10 . . . . . A 52 VAL CB . 25642 1 81 . 1 1 52 52 VAL CG1 C 13 21.19 0.10 . 2 . . . A 52 VAL CG1 . 25642 1 82 . 1 1 52 52 VAL CG2 C 13 22.18 0.10 . 2 . . . A 52 VAL CG2 . 25642 1 83 . 1 1 52 52 VAL N N 15 122.77 0.21 . . . . . A 52 VAL N . 25642 1 84 . 1 1 53 53 THR H H 1 9.15 0.05 . . . . . A 53 THR H . 25642 1 85 . 1 1 53 53 THR C C 13 173.79 0.17 . . . . . A 53 THR C . 25642 1 86 . 1 1 53 53 THR CA C 13 60.58 0.15 . . . . . A 53 THR CA . 25642 1 87 . 1 1 53 53 THR CB C 13 72.31 0.18 . . . . . A 53 THR CB . 25642 1 88 . 1 1 53 53 THR CG2 C 13 22.03 0.08 . . . . . A 53 THR CG2 . 25642 1 89 . 1 1 53 53 THR N N 15 121.86 0.34 . . . . . A 53 THR N . 25642 1 90 . 1 1 54 54 GLY H H 1 9.08 0.05 . . . . . A 54 GLY H . 25642 1 91 . 1 1 54 54 GLY C C 13 172.53 0.13 . . . . . A 54 GLY C . 25642 1 92 . 1 1 54 54 GLY CA C 13 45.87 0.11 . . . . . A 54 GLY CA . 25642 1 93 . 1 1 54 54 GLY N N 15 112.96 0.28 . . . . . A 54 GLY N . 25642 1 94 . 1 1 55 55 GLU H H 1 8.79 0.05 . . . . . A 55 GLU H . 25642 1 95 . 1 1 55 55 GLU C C 13 177.35 0.14 . . . . . A 55 GLU C . 25642 1 96 . 1 1 55 55 GLU CA C 13 56.10 0.13 . . . . . A 55 GLU CA . 25642 1 97 . 1 1 55 55 GLU CB C 13 31.14 0.12 . . . . . A 55 GLU CB . 25642 1 98 . 1 1 55 55 GLU CG C 13 36.65 0.25 . . . . . A 55 GLU CG . 25642 1 99 . 1 1 55 55 GLU CD C 13 184.12 0.02 . . . . . A 55 GLU CD . 25642 1 100 . 1 1 55 55 GLU N N 15 118.20 0.35 . . . . . A 55 GLU N . 25642 1 101 . 1 1 56 56 GLY H H 1 8.58 0.05 . . . . . A 56 GLY H . 25642 1 102 . 1 1 56 56 GLY C C 13 173.40 0.10 . . . . . A 56 GLY C . 25642 1 103 . 1 1 56 56 GLY CA C 13 44.69 0.15 . . . . . A 56 GLY CA . 25642 1 104 . 1 1 56 56 GLY N N 15 109.74 0.40 . . . . . A 56 GLY N . 25642 1 105 . 1 1 57 57 GLU H H 1 8.81 0.05 . . . . . A 57 GLU H . 25642 1 106 . 1 1 57 57 GLU C C 13 175.97 0.07 . . . . . A 57 GLU C . 25642 1 107 . 1 1 57 57 GLU CA C 13 55.10 0.13 . . . . . A 57 GLU CA . 25642 1 108 . 1 1 57 57 GLU CB C 13 31.77 0.19 . . . . . A 57 GLU CB . 25642 1 109 . 1 1 57 57 GLU CG C 13 36.75 0.04 . . . . . A 57 GLU CG . 25642 1 110 . 1 1 57 57 GLU CD C 13 182.77 0.04 . . . . . A 57 GLU CD . 25642 1 111 . 1 1 57 57 GLU N N 15 122.18 0.14 . . . . . A 57 GLU N . 25642 1 112 . 1 1 58 58 LEU H H 1 8.72 0.05 . . . . . A 58 LEU H . 25642 1 113 . 1 1 58 58 LEU C C 13 173.10 0.01 . . . . . A 58 LEU C . 25642 1 114 . 1 1 58 58 LEU CA C 13 53.68 0.18 . . . . . A 58 LEU CA . 25642 1 115 . 1 1 58 58 LEU CB C 13 46.44 0.11 . . . . . A 58 LEU CB . 25642 1 116 . 1 1 58 58 LEU CG C 13 28.14 0.08 . . . . . A 58 LEU CG . 25642 1 117 . 1 1 58 58 LEU CD1 C 13 23.58 0.14 . 2 . . . A 58 LEU CD1 . 25642 1 118 . 1 1 58 58 LEU N N 15 126.04 0.25 . . . . . A 58 LEU N . 25642 1 119 . 1 1 59 59 GLN H H 1 8.40 0.05 . . . . . A 59 GLN H . 25642 1 120 . 1 1 59 59 GLN C C 13 174.54 0.14 . . . . . A 59 GLN C . 25642 1 121 . 1 1 59 59 GLN CA C 13 53.84 0.15 . . . . . A 59 GLN CA . 25642 1 122 . 1 1 59 59 GLN CB C 13 29.79 0.19 . . . . . A 59 GLN CB . 25642 1 123 . 1 1 59 59 GLN CG C 13 32.65 0.15 . . . . . A 59 GLN CG . 25642 1 124 . 1 1 59 59 GLN CD C 13 178.73 0.03 . . . . . A 59 GLN CD . 25642 1 125 . 1 1 59 59 GLN N N 15 127.94 0.30 . . . . . A 59 GLN N . 25642 1 126 . 1 1 59 59 GLN NE2 N 15 114.79 0.10 . . . . . A 59 GLN NE2 . 25642 1 127 . 1 1 60 60 ILE H H 1 9.10 0.05 . . . . . A 60 ILE H . 25642 1 128 . 1 1 60 60 ILE C C 13 174.34 0.07 . . . . . A 60 ILE C . 25642 1 129 . 1 1 60 60 ILE CA C 13 61.33 0.23 . . . . . A 60 ILE CA . 25642 1 130 . 1 1 60 60 ILE CB C 13 40.75 0.18 . . . . . A 60 ILE CB . 25642 1 131 . 1 1 60 60 ILE CG1 C 13 26.98 0.07 . . . . . A 60 ILE CG1 . 25642 1 132 . 1 1 60 60 ILE CG2 C 13 17.97 0.07 . . . . . A 60 ILE CG2 . 25642 1 133 . 1 1 60 60 ILE CD1 C 13 16.21 0.06 . . . . . A 60 ILE CD1 . 25642 1 134 . 1 1 60 60 ILE N N 15 124.61 0.20 . . . . . A 60 ILE N . 25642 1 135 . 1 1 61 61 ASP H H 1 9.07 0.05 . . . . . A 61 ASP H . 25642 1 136 . 1 1 61 61 ASP C C 13 176.21 0.07 . . . . . A 61 ASP C . 25642 1 137 . 1 1 61 61 ASP CA C 13 53.90 0.19 . . . . . A 61 ASP CA . 25642 1 138 . 1 1 61 61 ASP CB C 13 42.48 0.13 . . . . . A 61 ASP CB . 25642 1 139 . 1 1 61 61 ASP CG C 13 178.60 0.11 . . . . . A 61 ASP CG . 25642 1 140 . 1 1 61 61 ASP N N 15 127.35 0.16 . . . . . A 61 ASP N . 25642 1 141 . 1 1 62 62 GLY H H 1 6.59 0.05 . . . . . A 62 GLY H . 25642 1 142 . 1 1 62 62 GLY C C 13 170.87 0.13 . . . . . A 62 GLY C . 25642 1 143 . 1 1 62 62 GLY CA C 13 45.49 0.13 . . . . . A 62 GLY CA . 25642 1 144 . 1 1 62 62 GLY N N 15 110.34 0.18 . . . . . A 62 GLY N . 25642 1 145 . 1 1 63 63 VAL H H 1 8.07 0.05 . . . . . A 63 VAL H . 25642 1 146 . 1 1 63 63 VAL C C 13 176.03 0.06 . . . . . A 63 VAL C . 25642 1 147 . 1 1 63 63 VAL CA C 13 61.01 0.12 . . . . . A 63 VAL CA . 25642 1 148 . 1 1 63 63 VAL CB C 13 34.85 0.30 . . . . . A 63 VAL CB . 25642 1 149 . 1 1 63 63 VAL N N 15 122.57 0.30 . . . . . A 63 VAL N . 25642 1 150 . 1 1 64 64 VAL H H 1 9.01 0.05 . . . . . A 64 VAL H . 25642 1 151 . 1 1 64 64 VAL C C 13 174.41 0.08 . . . . . A 64 VAL C . 25642 1 152 . 1 1 64 64 VAL CA C 13 61.22 0.09 . . . . . A 64 VAL CA . 25642 1 153 . 1 1 64 64 VAL CB C 13 35.69 0.10 . . . . . A 64 VAL CB . 25642 1 154 . 1 1 64 64 VAL CG1 C 13 23.12 0.03 . 2 . . . A 64 VAL CG1 . 25642 1 155 . 1 1 64 64 VAL CG2 C 13 20.45 0.07 . 2 . . . A 64 VAL CG2 . 25642 1 156 . 1 1 64 64 VAL N N 15 125.47 0.19 . . . . . A 64 VAL N . 25642 1 157 . 1 1 65 65 LYS H H 1 9.15 0.05 . . . . . A 65 LYS H . 25642 1 158 . 1 1 65 65 LYS C C 13 175.12 0.10 . . . . . A 65 LYS C . 25642 1 159 . 1 1 65 65 LYS CA C 13 54.31 0.14 . . . . . A 65 LYS CA . 25642 1 160 . 1 1 65 65 LYS CB C 13 32.44 0.19 . . . . . A 65 LYS CB . 25642 1 161 . 1 1 65 65 LYS CG C 13 25.06 0.11 . . . . . A 65 LYS CG . 25642 1 162 . 1 1 65 65 LYS CD C 13 29.92 0.13 . . . . . A 65 LYS CD . 25642 1 163 . 1 1 65 65 LYS CE C 13 42.17 0.07 . . . . . A 65 LYS CE . 25642 1 164 . 1 1 65 65 LYS N N 15 129.12 0.37 . . . . . A 65 LYS N . 25642 1 165 . 1 1 66 66 GLY H H 1 8.30 0.05 . . . . . A 66 GLY H . 25642 1 166 . 1 1 66 66 GLY C C 13 170.21 0.12 . . . . . A 66 GLY C . 25642 1 167 . 1 1 66 66 GLY CA C 13 44.48 0.14 . . . . . A 66 GLY CA . 25642 1 168 . 1 1 66 66 GLY N N 15 115.02 0.36 . . . . . A 66 GLY N . 25642 1 169 . 1 1 67 67 ASP H H 1 7.69 0.05 . . . . . A 67 ASP H . 25642 1 170 . 1 1 67 67 ASP C C 13 176.92 0.11 . . . . . A 67 ASP C . 25642 1 171 . 1 1 67 67 ASP CA C 13 53.33 0.17 . . . . . A 67 ASP CA . 25642 1 172 . 1 1 67 67 ASP CB C 13 41.95 0.19 . . . . . A 67 ASP CB . 25642 1 173 . 1 1 67 67 ASP CG C 13 180.55 0.14 . . . . . A 67 ASP CG . 25642 1 174 . 1 1 67 67 ASP N N 15 115.42 0.33 . . . . . A 67 ASP N . 25642 1 175 . 1 1 68 68 VAL H H 1 8.93 0.05 . . . . . A 68 VAL H . 25642 1 176 . 1 1 68 68 VAL C C 13 174.45 0.17 . . . . . A 68 VAL C . 25642 1 177 . 1 1 68 68 VAL CA C 13 60.97 0.14 . . . . . A 68 VAL CA . 25642 1 178 . 1 1 68 68 VAL CB C 13 35.24 0.18 . . . . . A 68 VAL CB . 25642 1 179 . 1 1 68 68 VAL CG1 C 13 23.19 0.06 . 2 . . . A 68 VAL CG1 . 25642 1 180 . 1 1 68 68 VAL CG2 C 13 21.64 0.15 . 2 . . . A 68 VAL CG2 . 25642 1 181 . 1 1 68 68 VAL N N 15 122.44 0.36 . . . . . A 68 VAL N . 25642 1 182 . 1 1 69 69 ARG H H 1 9.11 0.05 . . . . . A 69 ARG H . 25642 1 183 . 1 1 69 69 ARG C C 13 175.15 0.06 . . . . . A 69 ARG C . 25642 1 184 . 1 1 69 69 ARG CA C 13 54.82 0.14 . . . . . A 69 ARG CA . 25642 1 185 . 1 1 69 69 ARG CB C 13 32.00 0.13 . . . . . A 69 ARG CB . 25642 1 186 . 1 1 69 69 ARG CG C 13 28.23 0.08 . . . . . A 69 ARG CG . 25642 1 187 . 1 1 69 69 ARG CD C 13 43.48 0.16 . . . . . A 69 ARG CD . 25642 1 188 . 1 1 69 69 ARG CZ C 13 158.99 0.02 . . . . . A 69 ARG CZ . 25642 1 189 . 1 1 69 69 ARG N N 15 130.61 0.18 . . . . . A 69 ARG N . 25642 1 190 . 1 1 70 70 VAL H H 1 8.29 0.05 . . . . . A 70 VAL H . 25642 1 191 . 1 1 70 70 VAL C C 13 175.44 0.08 . . . . . A 70 VAL C . 25642 1 192 . 1 1 70 70 VAL CA C 13 58.40 0.19 . . . . . A 70 VAL CA . 25642 1 193 . 1 1 70 70 VAL CB C 13 35.37 0.12 . . . . . A 70 VAL CB . 25642 1 194 . 1 1 70 70 VAL CG1 C 13 22.31 0.15 . 2 . . . A 70 VAL CG1 . 25642 1 195 . 1 1 70 70 VAL CG2 C 13 19.67 0.06 . 2 . . . A 70 VAL CG2 . 25642 1 196 . 1 1 70 70 VAL N N 15 114.53 0.26 . . . . . A 70 VAL N . 25642 1 197 . 1 1 71 71 GLY H H 1 8.11 0.05 . . . . . A 71 GLY H . 25642 1 198 . 1 1 71 71 GLY C C 13 174.71 0.05 . . . . . A 71 GLY C . 25642 1 199 . 1 1 71 71 GLY CA C 13 47.90 0.16 . . . . . A 71 GLY CA . 25642 1 200 . 1 1 71 71 GLY N N 15 108.15 0.17 . . . . . A 71 GLY N . 25642 1 201 . 1 1 72 72 ARG H H 1 7.69 0.05 . . . . . A 72 ARG H . 25642 1 202 . 1 1 72 72 ARG C C 13 173.62 0.09 . . . . . A 72 ARG C . 25642 1 203 . 1 1 72 72 ARG CA C 13 55.32 0.13 . . . . . A 72 ARG CA . 25642 1 204 . 1 1 72 72 ARG CB C 13 33.78 0.12 . . . . . A 72 ARG CB . 25642 1 205 . 1 1 72 72 ARG CG C 13 27.84 0.07 . . . . . A 72 ARG CG . 25642 1 206 . 1 1 72 72 ARG CD C 13 43.38 0.08 . . . . . A 72 ARG CD . 25642 1 207 . 1 1 72 72 ARG CZ C 13 159.43 0.10 . . . . . A 72 ARG CZ . 25642 1 208 . 1 1 72 72 ARG N N 15 120.66 0.14 . . . . . A 72 ARG N . 25642 1 209 . 1 1 73 73 LEU H H 1 8.57 0.05 . . . . . A 73 LEU H . 25642 1 210 . 1 1 73 73 LEU C C 13 175.23 0.05 . . . . . A 73 LEU C . 25642 1 211 . 1 1 73 73 LEU CA C 13 52.55 0.12 . . . . . A 73 LEU CA . 25642 1 212 . 1 1 73 73 LEU CB C 13 46.53 0.10 . . . . . A 73 LEU CB . 25642 1 213 . 1 1 73 73 LEU CG C 13 27.77 0.08 . . . . . A 73 LEU CG . 25642 1 214 . 1 1 73 73 LEU CD1 C 13 23.47 0.07 . 2 . . . A 73 LEU CD1 . 25642 1 215 . 1 1 73 73 LEU N N 15 125.71 0.25 . . . . . A 73 LEU N . 25642 1 216 . 1 1 74 74 THR H H 1 8.86 0.05 . . . . . A 74 THR H . 25642 1 217 . 1 1 74 74 THR C C 13 173.67 0.15 . . . . . A 74 THR C . 25642 1 218 . 1 1 74 74 THR CA C 13 61.48 0.10 . . . . . A 74 THR CA . 25642 1 219 . 1 1 74 74 THR CB C 13 70.71 0.33 . . . . . A 74 THR CB . 25642 1 220 . 1 1 74 74 THR CG2 C 13 20.93 0.11 . . . . . A 74 THR CG2 . 25642 1 221 . 1 1 74 74 THR N N 15 123.15 0.24 . . . . . A 74 THR N . 25642 1 222 . 1 1 75 75 VAL H H 1 8.91 0.05 . . . . . A 75 VAL H . 25642 1 223 . 1 1 75 75 VAL C C 13 176.80 0.01 . . . . . A 75 VAL C . 25642 1 224 . 1 1 75 75 VAL CA C 13 61.13 0.10 . . . . . A 75 VAL CA . 25642 1 225 . 1 1 75 75 VAL CB C 13 32.84 0.20 . . . . . A 75 VAL CB . 25642 1 226 . 1 1 75 75 VAL CG1 C 13 20.50 0.06 . 2 . . . A 75 VAL CG1 . 25642 1 227 . 1 1 75 75 VAL N N 15 127.89 0.14 . . . . . A 75 VAL N . 25642 1 228 . 1 1 76 76 GLY H H 1 8.98 0.05 . . . . . A 76 GLY H . 25642 1 229 . 1 1 76 76 GLY C C 13 174.06 0.05 . . . . . A 76 GLY C . 25642 1 230 . 1 1 76 76 GLY CA C 13 45.23 0.05 . . . . . A 76 GLY CA . 25642 1 231 . 1 1 76 76 GLY N N 15 116.59 0.17 . . . . . A 76 GLY N . 25642 1 232 . 1 1 77 77 GLU H H 1 9.26 0.05 . . . . . A 77 GLU H . 25642 1 233 . 1 1 77 77 GLU C C 13 178.62 0.16 . . . . . A 77 GLU C . 25642 1 234 . 1 1 77 77 GLU CA C 13 60.50 0.14 . . . . . A 77 GLU CA . 25642 1 235 . 1 1 77 77 GLU CB C 13 30.12 0.09 . . . . . A 77 GLU CB . 25642 1 236 . 1 1 77 77 GLU CG C 13 37.70 0.06 . . . . . A 77 GLU CG . 25642 1 237 . 1 1 77 77 GLU CD C 13 182.82 0.06 . . . . . A 77 GLU CD . 25642 1 238 . 1 1 77 77 GLU N N 15 121.14 0.19 . . . . . A 77 GLU N . 25642 1 239 . 1 1 78 78 THR H H 1 8.01 0.05 . . . . . A 78 THR H . 25642 1 240 . 1 1 78 78 THR C C 13 174.99 0.18 . . . . . A 78 THR C . 25642 1 241 . 1 1 78 78 THR CA C 13 62.04 0.14 . . . . . A 78 THR CA . 25642 1 242 . 1 1 78 78 THR CB C 13 69.88 0.36 . . . . . A 78 THR CB . 25642 1 243 . 1 1 78 78 THR CG2 C 13 20.79 0.11 . . . . . A 78 THR CG2 . 25642 1 244 . 1 1 78 78 THR N N 15 105.33 0.22 . . . . . A 78 THR N . 25642 1 245 . 1 1 79 79 GLY H H 1 8.24 0.05 . . . . . A 79 GLY H . 25642 1 246 . 1 1 79 79 GLY C C 13 174.27 0.09 . . . . . A 79 GLY C . 25642 1 247 . 1 1 79 79 GLY CA C 13 45.25 0.15 . . . . . A 79 GLY CA . 25642 1 248 . 1 1 79 79 GLY N N 15 111.42 0.19 . . . . . A 79 GLY N . 25642 1 249 . 1 1 80 80 HIS H H 1 8.86 0.05 . . . . . A 80 HIS H . 25642 1 250 . 1 1 80 80 HIS C C 13 173.80 0.16 . . . . . A 80 HIS C . 25642 1 251 . 1 1 80 80 HIS CA C 13 54.86 0.21 . . . . . A 80 HIS CA . 25642 1 252 . 1 1 80 80 HIS CB C 13 35.07 0.02 . . . . . A 80 HIS CB . 25642 1 253 . 1 1 80 80 HIS CG C 13 136.23 0.15 . . . . . A 80 HIS CG . 25642 1 254 . 1 1 80 80 HIS N N 15 123.97 0.19 . . . . . A 80 HIS N . 25642 1 255 . 1 1 81 81 VAL H H 1 8.90 0.05 . . . . . A 81 VAL H . 25642 1 256 . 1 1 81 81 VAL C C 13 174.58 0.13 . . . . . A 81 VAL C . 25642 1 257 . 1 1 81 81 VAL CA C 13 60.66 0.17 . . . . . A 81 VAL CA . 25642 1 258 . 1 1 81 81 VAL CB C 13 34.86 0.10 . . . . . A 81 VAL CB . 25642 1 259 . 1 1 81 81 VAL N N 15 125.72 0.19 . . . . . A 81 VAL N . 25642 1 260 . 1 1 82 82 GLU H H 1 9.27 0.05 . . . . . A 82 GLU H . 25642 1 261 . 1 1 82 82 GLU C C 13 175.20 0.05 . . . . . A 82 GLU C . 25642 1 262 . 1 1 82 82 GLU CA C 13 53.90 0.13 . . . . . A 82 GLU CA . 25642 1 263 . 1 1 82 82 GLU CB C 13 30.87 0.16 . . . . . A 82 GLU CB . 25642 1 264 . 1 1 82 82 GLU CG C 13 36.09 0.08 . . . . . A 82 GLU CG . 25642 1 265 . 1 1 82 82 GLU CD C 13 183.40 0.04 . . . . . A 82 GLU CD . 25642 1 266 . 1 1 82 82 GLU N N 15 129.50 0.38 . . . . . A 82 GLU N . 25642 1 267 . 1 1 83 83 GLY H H 1 8.45 0.05 . . . . . A 83 GLY H . 25642 1 268 . 1 1 83 83 GLY C C 13 171.31 0.24 . . . . . A 83 GLY C . 25642 1 269 . 1 1 83 83 GLY CA C 13 44.95 0.13 . . . . . A 83 GLY CA . 25642 1 270 . 1 1 83 83 GLY N N 15 114.07 0.09 . . . . . A 83 GLY N . 25642 1 271 . 1 1 84 84 SER H H 1 8.32 0.05 . . . . . A 84 SER H . 25642 1 272 . 1 1 84 84 SER C C 13 173.14 0.03 . . . . . A 84 SER C . 25642 1 273 . 1 1 84 84 SER CA C 13 57.72 0.16 . . . . . A 84 SER CA . 25642 1 274 . 1 1 84 84 SER CB C 13 64.95 0.33 . . . . . A 84 SER CB . 25642 1 275 . 1 1 84 84 SER N N 15 113.81 0.44 . . . . . A 84 SER N . 25642 1 276 . 1 1 85 85 VAL H H 1 8.73 0.05 . . . . . A 85 VAL H . 25642 1 277 . 1 1 85 85 VAL C C 13 174.96 0.11 . . . . . A 85 VAL C . 25642 1 278 . 1 1 85 85 VAL CA C 13 60.42 0.13 . . . . . A 85 VAL CA . 25642 1 279 . 1 1 85 85 VAL CB C 13 34.90 0.06 . . . . . A 85 VAL CB . 25642 1 280 . 1 1 85 85 VAL CG1 C 13 23.09 0.03 . 2 . . . A 85 VAL CG1 . 25642 1 281 . 1 1 85 85 VAL CG2 C 13 21.70 0.04 . 2 . . . A 85 VAL CG2 . 25642 1 282 . 1 1 85 85 VAL N N 15 121.06 0.22 . . . . . A 85 VAL N . 25642 1 283 . 1 1 86 86 TYR H H 1 9.58 0.05 . . . . . A 86 TYR H . 25642 1 284 . 1 1 86 86 TYR C C 13 174.42 0.02 . . . . . A 86 TYR C . 25642 1 285 . 1 1 86 86 TYR CA C 13 56.46 0.18 . . . . . A 86 TYR CA . 25642 1 286 . 1 1 86 86 TYR CB C 13 40.85 0.14 . . . . . A 86 TYR CB . 25642 1 287 . 1 1 86 86 TYR CG C 13 131.07 0.10 . . . . . A 86 TYR CG . 25642 1 288 . 1 1 86 86 TYR CD1 C 13 133.70 0.10 . 3 . . . A 86 TYR CD1 . 25642 1 289 . 1 1 86 86 TYR CE1 C 13 117.94 0.10 . 3 . . . A 86 TYR CE1 . 25642 1 290 . 1 1 86 86 TYR CZ C 13 157.11 0.10 . . . . . A 86 TYR CZ . 25642 1 291 . 1 1 86 86 TYR N N 15 129.09 0.24 . . . . . A 86 TYR N . 25642 1 292 . 1 1 87 87 ALA H H 1 8.08 0.05 . . . . . A 87 ALA H . 25642 1 293 . 1 1 87 87 ALA C C 13 177.32 0.06 . . . . . A 87 ALA C . 25642 1 294 . 1 1 87 87 ALA CA C 13 51.26 0.06 . . . . . A 87 ALA CA . 25642 1 295 . 1 1 87 87 ALA CB C 13 22.45 0.14 . . . . . A 87 ALA CB . 25642 1 296 . 1 1 87 87 ALA N N 15 122.67 0.40 . . . . . A 87 ALA N . 25642 1 297 . 1 1 88 88 GLU H H 1 8.64 0.05 . . . . . A 88 GLU H . 25642 1 298 . 1 1 88 88 GLU C C 13 177.31 0.11 . . . . . A 88 GLU C . 25642 1 299 . 1 1 88 88 GLU CA C 13 59.19 0.14 . . . . . A 88 GLU CA . 25642 1 300 . 1 1 88 88 GLU CB C 13 29.65 0.06 . . . . . A 88 GLU CB . 25642 1 301 . 1 1 88 88 GLU CG C 13 36.67 0.09 . . . . . A 88 GLU CG . 25642 1 302 . 1 1 88 88 GLU CD C 13 183.81 0.05 . . . . . A 88 GLU CD . 25642 1 303 . 1 1 88 88 GLU N N 15 120.18 0.27 . . . . . A 88 GLU N . 25642 1 304 . 1 1 89 89 ALA H H 1 7.34 0.05 . . . . . A 89 ALA H . 25642 1 305 . 1 1 89 89 ALA C C 13 175.89 0.04 . . . . . A 89 ALA C . 25642 1 306 . 1 1 89 89 ALA CA C 13 51.51 0.16 . . . . . A 89 ALA CA . 25642 1 307 . 1 1 89 89 ALA CB C 13 22.27 0.10 . . . . . A 89 ALA CB . 25642 1 308 . 1 1 89 89 ALA N N 15 118.77 0.11 . . . . . A 89 ALA N . 25642 1 309 . 1 1 90 90 VAL H H 1 8.49 0.05 . . . . . A 90 VAL H . 25642 1 310 . 1 1 90 90 VAL C C 13 174.71 0.10 . . . . . A 90 VAL C . 25642 1 311 . 1 1 90 90 VAL CA C 13 60.52 0.11 . . . . . A 90 VAL CA . 25642 1 312 . 1 1 90 90 VAL CB C 13 35.99 0.11 . . . . . A 90 VAL CB . 25642 1 313 . 1 1 90 90 VAL CG1 C 13 21.77 0.08 . 2 . . . A 90 VAL CG1 . 25642 1 314 . 1 1 90 90 VAL CG2 C 13 23.07 0.12 . 2 . . . A 90 VAL CG2 . 25642 1 315 . 1 1 90 90 VAL N N 15 119.72 0.32 . . . . . A 90 VAL N . 25642 1 316 . 1 1 91 91 GLU H H 1 9.07 0.05 . . . . . A 91 GLU H . 25642 1 317 . 1 1 91 91 GLU C C 13 175.47 0.07 . . . . . A 91 GLU C . 25642 1 318 . 1 1 91 91 GLU CA C 13 54.79 0.13 . . . . . A 91 GLU CA . 25642 1 319 . 1 1 91 91 GLU CB C 13 32.68 0.12 . . . . . A 91 GLU CB . 25642 1 320 . 1 1 91 91 GLU CG C 13 36.71 0.10 . . . . . A 91 GLU CG . 25642 1 321 . 1 1 91 91 GLU CD C 13 183.30 0.10 . . . . . A 91 GLU CD . 25642 1 322 . 1 1 91 91 GLU N N 15 128.20 0.20 . . . . . A 91 GLU N . 25642 1 323 . 1 1 92 92 VAL H H 1 9.45 0.05 . . . . . A 92 VAL H . 25642 1 324 . 1 1 92 92 VAL C C 13 174.49 0.08 . . . . . A 92 VAL C . 25642 1 325 . 1 1 92 92 VAL CA C 13 62.66 0.16 . . . . . A 92 VAL CA . 25642 1 326 . 1 1 92 92 VAL CB C 13 33.09 0.15 . . . . . A 92 VAL CB . 25642 1 327 . 1 1 92 92 VAL CG1 C 13 23.42 0.04 . 2 . . . A 92 VAL CG1 . 25642 1 328 . 1 1 92 92 VAL CG2 C 13 21.91 0.12 . 2 . . . A 92 VAL CG2 . 25642 1 329 . 1 1 92 92 VAL N N 15 122.08 0.25 . . . . . A 92 VAL N . 25642 1 330 . 1 1 93 93 ARG H H 1 9.20 0.05 . . . . . A 93 ARG H . 25642 1 331 . 1 1 93 93 ARG C C 13 176.28 0.10 . . . . . A 93 ARG C . 25642 1 332 . 1 1 93 93 ARG CA C 13 56.29 0.11 . . . . . A 93 ARG CA . 25642 1 333 . 1 1 93 93 ARG CB C 13 30.89 0.09 . . . . . A 93 ARG CB . 25642 1 334 . 1 1 93 93 ARG CG C 13 29.85 0.10 . . . . . A 93 ARG CG . 25642 1 335 . 1 1 93 93 ARG CD C 13 42.79 0.06 . . . . . A 93 ARG CD . 25642 1 336 . 1 1 93 93 ARG CZ C 13 158.79 0.12 . . . . . A 93 ARG CZ . 25642 1 337 . 1 1 93 93 ARG N N 15 123.90 0.33 . . . . . A 93 ARG N . 25642 1 338 . 1 1 94 94 GLY H H 1 6.25 0.05 . . . . . A 94 GLY H . 25642 1 339 . 1 1 94 94 GLY C C 13 170.71 0.07 . . . . . A 94 GLY C . 25642 1 340 . 1 1 94 94 GLY CA C 13 45.79 0.15 . . . . . A 94 GLY CA . 25642 1 341 . 1 1 94 94 GLY N N 15 111.10 0.27 . . . . . A 94 GLY N . 25642 1 342 . 1 1 95 95 ARG H H 1 8.14 0.15 . . . . . A 95 ARG H . 25642 1 343 . 1 1 95 95 ARG C C 13 175.57 0.15 . . . . . A 95 ARG C . 25642 1 344 . 1 1 95 95 ARG CA C 13 54.67 0.10 . . . . . A 95 ARG CA . 25642 1 345 . 1 1 95 95 ARG CB C 13 33.92 0.09 . . . . . A 95 ARG CB . 25642 1 346 . 1 1 95 95 ARG CG C 13 28.06 0.07 . . . . . A 95 ARG CG . 25642 1 347 . 1 1 95 95 ARG CD C 13 43.25 0.20 . . . . . A 95 ARG CD . 25642 1 348 . 1 1 95 95 ARG N N 15 126.19 0.33 . . . . . A 95 ARG N . 25642 1 349 . 1 1 96 96 VAL H H 1 9.43 0.05 . . . . . A 96 VAL H . 25642 1 350 . 1 1 96 96 VAL C C 13 174.07 0.10 . . . . . A 96 VAL C . 25642 1 351 . 1 1 96 96 VAL CA C 13 61.16 0.17 . . . . . A 96 VAL CA . 25642 1 352 . 1 1 96 96 VAL CB C 13 35.86 0.05 . . . . . A 96 VAL CB . 25642 1 353 . 1 1 96 96 VAL CG1 C 13 21.80 0.10 . 2 . . . A 96 VAL CG1 . 25642 1 354 . 1 1 96 96 VAL CG2 C 13 20.23 0.04 . 2 . . . A 96 VAL CG2 . 25642 1 355 . 1 1 96 96 VAL N N 15 124.80 0.32 . . . . . A 96 VAL N . 25642 1 356 . 1 1 97 97 VAL H H 1 9.26 0.05 . . . . . A 97 VAL H . 25642 1 357 . 1 1 97 97 VAL C C 13 176.43 0.20 . . . . . A 97 VAL C . 25642 1 358 . 1 1 97 97 VAL CA C 13 61.08 0.16 . . . . . A 97 VAL CA . 25642 1 359 . 1 1 97 97 VAL CB C 13 33.63 0.16 . . . . . A 97 VAL CB . 25642 1 360 . 1 1 97 97 VAL CG1 C 13 21.15 0.06 . 2 . . . A 97 VAL CG1 . 25642 1 361 . 1 1 97 97 VAL CG2 C 13 20.62 0.05 . 2 . . . A 97 VAL CG2 . 25642 1 362 . 1 1 97 97 VAL N N 15 128.01 0.32 . . . . . A 97 VAL N . 25642 1 363 . 1 1 98 98 GLY H H 1 8.60 0.05 . . . . . A 98 GLY H . 25642 1 364 . 1 1 98 98 GLY C C 13 171.77 0.14 . . . . . A 98 GLY C . 25642 1 365 . 1 1 98 98 GLY CA C 13 45.89 0.15 . . . . . A 98 GLY CA . 25642 1 366 . 1 1 98 98 GLY N N 15 116.34 0.24 . . . . . A 98 GLY N . 25642 1 367 . 1 1 99 99 ALA H H 1 8.11 0.05 . . . . . A 99 ALA H . 25642 1 368 . 1 1 99 99 ALA C C 13 176.06 0.06 . . . . . A 99 ALA C . 25642 1 369 . 1 1 99 99 ALA CA C 13 51.69 0.18 . . . . . A 99 ALA CA . 25642 1 370 . 1 1 99 99 ALA CB C 13 21.70 0.18 . . . . . A 99 ALA CB . 25642 1 371 . 1 1 99 99 ALA N N 15 124.11 0.20 . . . . . A 99 ALA N . 25642 1 372 . 1 1 100 100 ILE H H 1 8.91 0.05 . . . . . A 100 ILE H . 25642 1 373 . 1 1 100 100 ILE C C 13 174.77 0.11 . . . . . A 100 ILE C . 25642 1 374 . 1 1 100 100 ILE CA C 13 60.62 0.15 . . . . . A 100 ILE CA . 25642 1 375 . 1 1 100 100 ILE CB C 13 42.32 0.12 . . . . . A 100 ILE CB . 25642 1 376 . 1 1 100 100 ILE CG1 C 13 27.39 0.10 . . . . . A 100 ILE CG1 . 25642 1 377 . 1 1 100 100 ILE CG2 C 13 18.41 0.05 . . . . . A 100 ILE CG2 . 25642 1 378 . 1 1 100 100 ILE CD1 C 13 14.35 0.05 . . . . . A 100 ILE CD1 . 25642 1 379 . 1 1 100 100 ILE N N 15 119.34 0.33 . . . . . A 100 ILE N . 25642 1 380 . 1 1 101 101 THR H H 1 8.95 0.05 . . . . . A 101 THR H . 25642 1 381 . 1 1 101 101 THR C C 13 173.98 0.07 . . . . . A 101 THR C . 25642 1 382 . 1 1 101 101 THR CA C 13 61.62 0.15 . . . . . A 101 THR CA . 25642 1 383 . 1 1 101 101 THR CB C 13 69.70 0.29 . . . . . A 101 THR CB . 25642 1 384 . 1 1 101 101 THR CG2 C 13 21.54 0.12 . . . . . A 101 THR CG2 . 25642 1 385 . 1 1 101 101 THR N N 15 127.01 0.23 . . . . . A 101 THR N . 25642 1 386 . 1 1 102 102 SER H H 1 8.80 0.05 . . . . . A 102 SER H . 25642 1 387 . 1 1 102 102 SER C C 13 174.00 0.02 . . . . . A 102 SER C . 25642 1 388 . 1 1 102 102 SER CA C 13 56.19 0.08 . . . . . A 102 SER CA . 25642 1 389 . 1 1 102 102 SER CB C 13 64.71 0.16 . . . . . A 102 SER CB . 25642 1 390 . 1 1 102 102 SER N N 15 119.87 0.32 . . . . . A 102 SER N . 25642 1 391 . 1 1 103 103 LYS H H 1 7.56 0.05 . . . . . A 103 LYS H . 25642 1 392 . 1 1 103 103 LYS C C 13 177.20 0.11 . . . . . A 103 LYS C . 25642 1 393 . 1 1 103 103 LYS CA C 13 61.30 0.12 . . . . . A 103 LYS CA . 25642 1 394 . 1 1 103 103 LYS CB C 13 32.51 0.17 . . . . . A 103 LYS CB . 25642 1 395 . 1 1 103 103 LYS CG C 13 26.04 0.08 . . . . . A 103 LYS CG . 25642 1 396 . 1 1 103 103 LYS CD C 13 29.58 0.14 . . . . . A 103 LYS CD . 25642 1 397 . 1 1 103 103 LYS CE C 13 42.02 0.03 . . . . . A 103 LYS CE . 25642 1 398 . 1 1 103 103 LYS N N 15 124.65 0.16 . . . . . A 103 LYS N . 25642 1 399 . 1 1 104 104 GLN H H 1 7.65 0.05 . . . . . A 104 GLN H . 25642 1 400 . 1 1 104 104 GLN C C 13 174.65 0.09 . . . . . A 104 GLN C . 25642 1 401 . 1 1 104 104 GLN CA C 13 54.86 0.10 . . . . . A 104 GLN CA . 25642 1 402 . 1 1 104 104 GLN CB C 13 31.88 0.10 . . . . . A 104 GLN CB . 25642 1 403 . 1 1 104 104 GLN CG C 13 33.95 0.05 . . . . . A 104 GLN CG . 25642 1 404 . 1 1 104 104 GLN CD C 13 180.37 0.04 . . . . . A 104 GLN CD . 25642 1 405 . 1 1 104 104 GLN N N 15 115.37 0.31 . . . . . A 104 GLN N . 25642 1 406 . 1 1 105 105 VAL H H 1 8.67 0.05 . . . . . A 105 VAL H . 25642 1 407 . 1 1 105 105 VAL C C 13 174.53 0.10 . . . . . A 105 VAL C . 25642 1 408 . 1 1 105 105 VAL CA C 13 60.92 0.10 . . . . . A 105 VAL CA . 25642 1 409 . 1 1 105 105 VAL CB C 13 35.00 0.15 . . . . . A 105 VAL CB . 25642 1 410 . 1 1 105 105 VAL N N 15 125.51 0.10 . . . . . A 105 VAL N . 25642 1 411 . 1 1 106 106 ARG H H 1 8.56 0.05 . . . . . A 106 ARG H . 25642 1 412 . 1 1 106 106 ARG CA C 13 55.05 0.06 . . . . . A 106 ARG CA . 25642 1 413 . 1 1 106 106 ARG CB C 13 33.74 0.10 . . . . . A 106 ARG CB . 25642 1 414 . 1 1 106 106 ARG CG C 13 29.81 0.10 . . . . . A 106 ARG CG . 25642 1 415 . 1 1 107 107 LEU H H 1 8.73 0.05 . . . . . A 107 LEU H . 25642 1 416 . 1 1 107 107 LEU C C 13 176.19 0.07 . . . . . A 107 LEU C . 25642 1 417 . 1 1 107 107 LEU CA C 13 53.57 0.06 . . . . . A 107 LEU CA . 25642 1 418 . 1 1 107 107 LEU CB C 13 41.13 0.11 . . . . . A 107 LEU CB . 25642 1 419 . 1 1 107 107 LEU CG C 13 27.17 0.15 . . . . . A 107 LEU CG . 25642 1 420 . 1 1 107 107 LEU CD1 C 13 23.93 0.07 . 2 . . . A 107 LEU CD1 . 25642 1 421 . 1 1 107 107 LEU N N 15 125.82 0.14 . . . . . A 107 LEU N . 25642 1 422 . 1 1 108 108 TYR H H 1 8.28 0.05 . . . . . A 108 TYR H . 25642 1 423 . 1 1 108 108 TYR C C 13 178.88 0.15 . . . . . A 108 TYR C . 25642 1 424 . 1 1 108 108 TYR CA C 13 59.53 0.15 . . . . . A 108 TYR CA . 25642 1 425 . 1 1 108 108 TYR CB C 13 39.78 0.16 . . . . . A 108 TYR CB . 25642 1 426 . 1 1 108 108 TYR CG C 13 130.49 0.15 . . . . . A 108 TYR CG . 25642 1 427 . 1 1 108 108 TYR CD2 C 13 133.31 0.15 . 3 . . . A 108 TYR CD2 . 25642 1 428 . 1 1 108 108 TYR CE2 C 13 117.71 0.15 . 3 . . . A 108 TYR CE2 . 25642 1 429 . 1 1 108 108 TYR CZ C 13 157.95 0.15 . . . . . A 108 TYR CZ . 25642 1 430 . 1 1 108 108 TYR N N 15 120.87 0.26 . . . . . A 108 TYR N . 25642 1 431 . 1 1 109 109 GLY H H 1 10.08 0.05 . . . . . A 109 GLY H . 25642 1 432 . 1 1 109 109 GLY C C 13 172.33 0.09 . . . . . A 109 GLY C . 25642 1 433 . 1 1 109 109 GLY CA C 13 47.28 0.07 . . . . . A 109 GLY CA . 25642 1 434 . 1 1 109 109 GLY N N 15 112.38 0.29 . . . . . A 109 GLY N . 25642 1 435 . 1 1 110 110 THR H H 1 6.91 0.05 . . . . . A 110 THR H . 25642 1 436 . 1 1 110 110 THR C C 13 175.37 0.07 . . . . . A 110 THR C . 25642 1 437 . 1 1 110 110 THR CA C 13 61.22 0.19 . . . . . A 110 THR CA . 25642 1 438 . 1 1 110 110 THR CB C 13 70.16 0.39 . . . . . A 110 THR CB . 25642 1 439 . 1 1 110 110 THR CG2 C 13 21.31 0.07 . . . . . A 110 THR CG2 . 25642 1 440 . 1 1 110 110 THR N N 15 103.28 0.13 . . . . . A 110 THR N . 25642 1 441 . 1 1 111 111 SER H H 1 7.96 0.05 . . . . . A 111 SER H . 25642 1 442 . 1 1 111 111 SER C C 13 174.74 0.08 . . . . . A 111 SER C . 25642 1 443 . 1 1 111 111 SER CA C 13 59.07 0.09 . . . . . A 111 SER CA . 25642 1 444 . 1 1 111 111 SER CB C 13 67.87 0.23 . . . . . A 111 SER CB . 25642 1 445 . 1 1 111 111 SER N N 15 118.04 0.35 . . . . . A 111 SER N . 25642 1 446 . 1 1 112 112 TYR H H 1 8.72 0.05 . . . . . A 112 TYR H . 25642 1 447 . 1 1 112 112 TYR C C 13 174.09 0.75 . . . . . A 112 TYR C . 25642 1 448 . 1 1 112 112 TYR CA C 13 57.41 0.12 . . . . . A 112 TYR CA . 25642 1 449 . 1 1 112 112 TYR CB C 13 41.69 0.12 . . . . . A 112 TYR CB . 25642 1 450 . 1 1 112 112 TYR CG C 13 129.41 0.15 . . . . . A 112 TYR CG . 25642 1 451 . 1 1 112 112 TYR CD1 C 13 132.81 0.15 . 3 . . . A 112 TYR CD1 . 25642 1 452 . 1 1 112 112 TYR CE1 C 13 117.85 0.15 . 3 . . . A 112 TYR CE1 . 25642 1 453 . 1 1 112 112 TYR CZ C 13 157.07 0.15 . . . . . A 112 TYR CZ . 25642 1 454 . 1 1 112 112 TYR N N 15 124.22 0.36 . . . . . A 112 TYR N . 25642 1 455 . 1 1 113 113 VAL H H 1 9.64 0.05 . . . . . A 113 VAL H . 25642 1 456 . 1 1 113 113 VAL C C 13 173.87 0.05 . . . . . A 113 VAL C . 25642 1 457 . 1 1 113 113 VAL CA C 13 61.04 0.13 . . . . . A 113 VAL CA . 25642 1 458 . 1 1 113 113 VAL CB C 13 34.93 0.07 . . . . . A 113 VAL CB . 25642 1 459 . 1 1 113 113 VAL CG1 C 13 22.73 0.08 . 2 . . . A 113 VAL CG1 . 25642 1 460 . 1 1 113 113 VAL CG2 C 13 20.38 0.13 . 2 . . . A 113 VAL CG2 . 25642 1 461 . 1 1 113 113 VAL N N 15 129.09 0.32 . . . . . A 113 VAL N . 25642 1 462 . 1 1 114 114 ASP H H 1 8.63 0.05 . . . . . A 114 ASP H . 25642 1 463 . 1 1 114 114 ASP C C 13 176.25 0.11 . . . . . A 114 ASP C . 25642 1 464 . 1 1 114 114 ASP CA C 13 51.47 0.08 . . . . . A 114 ASP CA . 25642 1 465 . 1 1 114 114 ASP CB C 13 43.22 0.10 . . . . . A 114 ASP CB . 25642 1 466 . 1 1 114 114 ASP CG C 13 179.98 0.11 . . . . . A 114 ASP CG . 25642 1 467 . 1 1 114 114 ASP N N 15 127.46 0.23 . . . . . A 114 ASP N . 25642 1 468 . 1 1 115 115 GLY H H 1 8.88 0.05 . . . . . A 115 GLY H . 25642 1 469 . 1 1 115 115 GLY C C 13 171.14 0.13 . . . . . A 115 GLY C . 25642 1 470 . 1 1 115 115 GLY CA C 13 45.15 0.16 . . . . . A 115 GLY CA . 25642 1 471 . 1 1 115 115 GLY N N 15 113.04 0.32 . . . . . A 115 GLY N . 25642 1 472 . 1 1 116 116 ASP H H 1 7.39 0.05 . . . . . A 116 ASP H . 25642 1 473 . 1 1 116 116 ASP C C 13 176.85 0.05 . . . . . A 116 ASP C . 25642 1 474 . 1 1 116 116 ASP CA C 13 53.36 0.19 . . . . . A 116 ASP CA . 25642 1 475 . 1 1 116 116 ASP CB C 13 42.37 0.27 . . . . . A 116 ASP CB . 25642 1 476 . 1 1 116 116 ASP CG C 13 179.80 0.03 . . . . . A 116 ASP CG . 25642 1 477 . 1 1 116 116 ASP N N 15 117.45 0.43 . . . . . A 116 ASP N . 25642 1 478 . 1 1 117 117 ILE H H 1 9.20 0.05 . . . . . A 117 ILE H . 25642 1 479 . 1 1 117 117 ILE C C 13 176.78 0.05 . . . . . A 117 ILE C . 25642 1 480 . 1 1 117 117 ILE CA C 13 60.72 0.14 . . . . . A 117 ILE CA . 25642 1 481 . 1 1 117 117 ILE CB C 13 38.63 0.20 . . . . . A 117 ILE CB . 25642 1 482 . 1 1 117 117 ILE CG1 C 13 26.55 0.16 . . . . . A 117 ILE CG1 . 25642 1 483 . 1 1 117 117 ILE CG2 C 13 18.70 0.09 . . . . . A 117 ILE CG2 . 25642 1 484 . 1 1 117 117 ILE CD1 C 13 13.15 0.11 . . . . . A 117 ILE CD1 . 25642 1 485 . 1 1 117 117 ILE N N 15 121.44 0.18 . . . . . A 117 ILE N . 25642 1 486 . 1 1 118 118 THR H H 1 9.56 0.05 . . . . . A 118 THR H . 25642 1 487 . 1 1 118 118 THR C C 13 173.63 0.14 . . . . . A 118 THR C . 25642 1 488 . 1 1 118 118 THR CA C 13 62.11 0.24 . . . . . A 118 THR CA . 25642 1 489 . 1 1 118 118 THR CB C 13 67.86 0.39 . . . . . A 118 THR CB . 25642 1 490 . 1 1 118 118 THR CG2 C 13 20.07 0.10 . . . . . A 118 THR CG2 . 25642 1 491 . 1 1 118 118 THR N N 15 131.55 0.16 . . . . . A 118 THR N . 25642 1 492 . 1 1 119 119 HIS H H 1 8.29 0.05 . . . . . A 119 HIS H . 25642 1 493 . 1 1 119 119 HIS C C 13 174.78 0.12 . . . . . A 119 HIS C . 25642 1 494 . 1 1 119 119 HIS CA C 13 55.85 0.18 . . . . . A 119 HIS CA . 25642 1 495 . 1 1 119 119 HIS CB C 13 32.55 0.06 . . . . . A 119 HIS CB . 25642 1 496 . 1 1 119 119 HIS CG C 13 126.06 0.15 . . . . . A 119 HIS CG . 25642 1 497 . 1 1 119 119 HIS CD2 C 13 128.64 0.15 . . . . . A 119 HIS CD2 . 25642 1 498 . 1 1 119 119 HIS CE1 C 13 141.65 0.15 . . . . . A 119 HIS CE1 . 25642 1 499 . 1 1 119 119 HIS N N 15 121.30 0.13 . . . . . A 119 HIS N . 25642 1 500 . 1 1 120 120 GLU H H 1 7.71 0.05 . . . . . A 120 GLU H . 25642 1 501 . 1 1 120 120 GLU C C 13 177.12 0.04 . . . . . A 120 GLU C . 25642 1 502 . 1 1 120 120 GLU CA C 13 58.78 0.17 . . . . . A 120 GLU CA . 25642 1 503 . 1 1 120 120 GLU CB C 13 30.30 0.09 . . . . . A 120 GLU CB . 25642 1 504 . 1 1 120 120 GLU CG C 13 36.90 0.09 . . . . . A 120 GLU CG . 25642 1 505 . 1 1 120 120 GLU CD C 13 182.92 0.05 . . . . . A 120 GLU CD . 25642 1 506 . 1 1 120 120 GLU N N 15 118.13 0.40 . . . . . A 120 GLU N . 25642 1 507 . 1 1 121 121 GLN H H 1 8.95 0.05 . . . . . A 121 GLN H . 25642 1 508 . 1 1 121 121 GLN C C 13 172.76 0.10 . . . . . A 121 GLN C . 25642 1 509 . 1 1 121 121 GLN CA C 13 55.88 0.13 . . . . . A 121 GLN CA . 25642 1 510 . 1 1 121 121 GLN CB C 13 32.58 0.11 . . . . . A 121 GLN CB . 25642 1 511 . 1 1 121 121 GLN CG C 13 34.14 0.06 . . . . . A 121 GLN CG . 25642 1 512 . 1 1 121 121 GLN CD C 13 179.86 0.05 . . . . . A 121 GLN CD . 25642 1 513 . 1 1 121 121 GLN N N 15 117.67 0.45 . . . . . A 121 GLN N . 25642 1 514 . 1 1 121 121 GLN NE2 N 15 116.86 0.15 . . . . . A 121 GLN NE2 . 25642 1 515 . 1 1 122 122 LEU H H 1 8.66 0.05 . . . . . A 122 LEU H . 25642 1 516 . 1 1 122 122 LEU C C 13 173.30 0.27 . . . . . A 122 LEU C . 25642 1 517 . 1 1 122 122 LEU CA C 13 53.82 0.16 . . . . . A 122 LEU CA . 25642 1 518 . 1 1 122 122 LEU CB C 13 45.45 0.12 . . . . . A 122 LEU CB . 25642 1 519 . 1 1 122 122 LEU CG C 13 27.09 0.08 . . . . . A 122 LEU CG . 25642 1 520 . 1 1 122 122 LEU CD1 C 13 23.76 0.11 . 2 . . . A 122 LEU CD1 . 25642 1 521 . 1 1 122 122 LEU CD2 C 13 25.93 0.09 . 2 . . . A 122 LEU CD2 . 25642 1 522 . 1 1 122 122 LEU N N 15 126.25 0.16 . . . . . A 122 LEU N . 25642 1 523 . 1 1 123 123 ALA H H 1 8.09 0.05 . . . . . A 123 ALA H . 25642 1 524 . 1 1 123 123 ALA C C 13 175.94 0.07 . . . . . A 123 ALA C . 25642 1 525 . 1 1 123 123 ALA CA C 13 49.57 0.13 . . . . . A 123 ALA CA . 25642 1 526 . 1 1 123 123 ALA CB C 13 22.35 0.12 . . . . . A 123 ALA CB . 25642 1 527 . 1 1 123 123 ALA N N 15 126.67 0.33 . . . . . A 123 ALA N . 25642 1 528 . 1 1 124 124 MET H H 1 8.81 0.05 . . . . . A 124 MET H . 25642 1 529 . 1 1 124 124 MET C C 13 174.96 0.06 . . . . . A 124 MET C . 25642 1 530 . 1 1 124 124 MET CA C 13 54.77 0.10 . . . . . A 124 MET CA . 25642 1 531 . 1 1 124 124 MET CB C 13 37.62 0.20 . . . . . A 124 MET CB . 25642 1 532 . 1 1 124 124 MET CG C 13 31.10 0.07 . . . . . A 124 MET CG . 25642 1 533 . 1 1 124 124 MET CE C 13 17.75 0.15 . . . . . A 124 MET CE . 25642 1 534 . 1 1 124 124 MET N N 15 119.80 0.17 . . . . . A 124 MET N . 25642 1 535 . 1 1 125 125 GLU H H 1 8.76 0.05 . . . . . A 125 GLU H . 25642 1 536 . 1 1 125 125 GLU C C 13 175.41 0.10 . . . . . A 125 GLU C . 25642 1 537 . 1 1 125 125 GLU CA C 13 54.67 0.12 . . . . . A 125 GLU CA . 25642 1 538 . 1 1 125 125 GLU CB C 13 31.51 0.20 . . . . . A 125 GLU CB . 25642 1 539 . 1 1 125 125 GLU CG C 13 36.70 0.10 . . . . . A 125 GLU CG . 25642 1 540 . 1 1 125 125 GLU CD C 13 182.78 0.04 . . . . . A 125 GLU CD . 25642 1 541 . 1 1 125 125 GLU N N 15 125.50 0.25 . . . . . A 125 GLU N . 25642 1 542 . 1 1 126 126 THR C C 13 174.30 0.12 . . . . . A 126 THR C . 25642 1 543 . 1 1 126 126 THR CA C 13 65.87 0.24 . . . . . A 126 THR CA . 25642 1 544 . 1 1 126 126 THR CB C 13 69.05 0.15 . . . . . A 126 THR CB . 25642 1 545 . 1 1 126 126 THR CG2 C 13 22.23 0.14 . . . . . A 126 THR CG2 . 25642 1 546 . 1 1 126 126 THR N N 15 118.44 0.44 . . . . . A 126 THR N . 25642 1 547 . 1 1 127 127 GLY C C 13 175.32 0.12 . . . . . A 127 GLY C . 25642 1 548 . 1 1 127 127 GLY CA C 13 45.00 0.11 . . . . . A 127 GLY CA . 25642 1 549 . 1 1 127 127 GLY N N 15 116.97 0.24 . . . . . A 127 GLY N . 25642 1 550 . 1 1 128 128 ALA H H 1 7.93 0.05 . . . . . A 128 ALA H . 25642 1 551 . 1 1 128 128 ALA C C 13 177.67 0.05 . . . . . A 128 ALA C . 25642 1 552 . 1 1 128 128 ALA CA C 13 53.64 0.11 . . . . . A 128 ALA CA . 25642 1 553 . 1 1 128 128 ALA CB C 13 19.75 0.17 . . . . . A 128 ALA CB . 25642 1 554 . 1 1 128 128 ALA N N 15 124.19 0.24 . . . . . A 128 ALA N . 25642 1 555 . 1 1 129 129 PHE H H 1 8.55 0.05 . . . . . A 129 PHE H . 25642 1 556 . 1 1 129 129 PHE C C 13 173.40 0.12 . . . . . A 129 PHE C . 25642 1 557 . 1 1 129 129 PHE CA C 13 56.89 0.26 . . . . . A 129 PHE CA . 25642 1 558 . 1 1 129 129 PHE CB C 13 40.52 0.17 . . . . . A 129 PHE CB . 25642 1 559 . 1 1 129 129 PHE CG C 13 138.16 0.15 . . . . . A 129 PHE CG . 25642 1 560 . 1 1 129 129 PHE CD1 C 13 131.99 0.15 . 3 . . . A 129 PHE CD1 . 25642 1 561 . 1 1 129 129 PHE CE1 C 13 131.10 0.15 . 3 . . . A 129 PHE CE1 . 25642 1 562 . 1 1 129 129 PHE N N 15 127.30 0.23 . . . . . A 129 PHE N . 25642 1 563 . 1 1 130 130 PHE H H 1 8.86 0.05 . . . . . A 130 PHE H . 25642 1 564 . 1 1 130 130 PHE C C 13 173.55 0.12 . . . . . A 130 PHE C . 25642 1 565 . 1 1 130 130 PHE CA C 13 53.37 0.10 . . . . . A 130 PHE CA . 25642 1 566 . 1 1 130 130 PHE CB C 13 40.46 0.12 . . . . . A 130 PHE CB . 25642 1 567 . 1 1 130 130 PHE CG C 13 138.18 0.15 . . . . . A 130 PHE CG . 25642 1 568 . 1 1 130 130 PHE CE1 C 13 131.25 0.15 . 3 . . . A 130 PHE CE1 . 25642 1 569 . 1 1 130 130 PHE N N 15 131.22 0.26 . . . . . A 130 PHE N . 25642 1 570 . 1 1 131 131 GLN H H 1 8.84 0.05 . . . . . A 131 GLN H . 25642 1 571 . 1 1 131 131 GLN C C 13 173.35 0.12 . . . . . A 131 GLN C . 25642 1 572 . 1 1 131 131 GLN CA C 13 53.42 0.21 . . . . . A 131 GLN CA . 25642 1 573 . 1 1 131 131 GLN CB C 13 33.00 0.15 . . . . . A 131 GLN CB . 25642 1 574 . 1 1 131 131 GLN CG C 13 34.57 0.09 . . . . . A 131 GLN CG . 25642 1 575 . 1 1 131 131 GLN CD C 13 180.90 0.09 . . . . . A 131 GLN CD . 25642 1 576 . 1 1 131 131 GLN N N 15 130.23 0.22 . . . . . A 131 GLN N . 25642 1 577 . 1 1 131 131 GLN NE2 N 15 110.78 0.15 . . . . . A 131 GLN NE2 . 25642 1 578 . 1 1 132 132 GLY C C 13 172.75 0.22 . . . . . A 132 GLY C . 25642 1 579 . 1 1 132 132 GLY CA C 13 44.47 0.11 . . . . . A 132 GLY CA . 25642 1 580 . 1 1 132 132 GLY N N 15 112.46 0.26 . . . . . A 132 GLY N . 25642 1 581 . 1 1 133 133 ARG H H 1 8.47 0.05 . . . . . A 133 ARG H . 25642 1 582 . 1 1 133 133 ARG C C 13 173.91 0.11 . . . . . A 133 ARG C . 25642 1 583 . 1 1 133 133 ARG CA C 13 55.87 0.16 . . . . . A 133 ARG CA . 25642 1 584 . 1 1 133 133 ARG CB C 13 32.19 0.07 . . . . . A 133 ARG CB . 25642 1 585 . 1 1 133 133 ARG CG C 13 27.50 0.07 . . . . . A 133 ARG CG . 25642 1 586 . 1 1 133 133 ARG CD C 13 43.69 0.09 . . . . . A 133 ARG CD . 25642 1 587 . 1 1 133 133 ARG CZ C 13 159.58 0.15 . . . . . A 133 ARG CZ . 25642 1 588 . 1 1 133 133 ARG N N 15 119.95 0.44 . . . . . A 133 ARG N . 25642 1 589 . 1 1 134 134 SER H H 1 8.68 0.05 . . . . . A 134 SER H . 25642 1 590 . 1 1 134 134 SER C C 13 174.26 0.06 . . . . . A 134 SER C . 25642 1 591 . 1 1 134 134 SER CA C 13 57.14 0.10 . . . . . A 134 SER CA . 25642 1 592 . 1 1 134 134 SER CB C 13 63.45 0.16 . . . . . A 134 SER CB . 25642 1 593 . 1 1 134 134 SER N N 15 119.12 0.14 . . . . . A 134 SER N . 25642 1 594 . 1 1 135 135 LEU H H 1 8.56 0.05 . . . . . A 135 LEU H . 25642 1 595 . 1 1 135 135 LEU C C 13 174.99 0.11 . . . . . A 135 LEU C . 25642 1 596 . 1 1 135 135 LEU CA C 13 53.22 0.21 . . . . . A 135 LEU CA . 25642 1 597 . 1 1 135 135 LEU CB C 13 45.18 0.08 . . . . . A 135 LEU CB . 25642 1 598 . 1 1 135 135 LEU CG C 13 26.86 0.09 . . . . . A 135 LEU CG . 25642 1 599 . 1 1 135 135 LEU CD1 C 13 25.87 0.07 . 2 . . . A 135 LEU CD1 . 25642 1 600 . 1 1 135 135 LEU CD2 C 13 24.37 0.07 . 2 . . . A 135 LEU CD2 . 25642 1 601 . 1 1 135 135 LEU N N 15 127.74 0.36 . . . . . A 135 LEU N . 25642 1 602 . 1 1 136 136 LYS H H 1 8.18 0.05 . . . . . A 136 LYS H . 25642 1 603 . 1 1 136 136 LYS C C 13 178.03 0.27 . . . . . A 136 LYS C . 25642 1 604 . 1 1 136 136 LYS CA C 13 52.06 0.15 . . . . . A 136 LYS CA . 25642 1 605 . 1 1 136 136 LYS CB C 13 32.01 0.13 . . . . . A 136 LYS CB . 25642 1 606 . 1 1 136 136 LYS CG C 13 23.44 0.08 . . . . . A 136 LYS CG . 25642 1 607 . 1 1 136 136 LYS CD C 13 26.76 0.19 . . . . . A 136 LYS CD . 25642 1 608 . 1 1 136 136 LYS CE C 13 41.50 0.14 . . . . . A 136 LYS CE . 25642 1 609 . 1 1 136 136 LYS N N 15 118.19 0.30 . . . . . A 136 LYS N . 25642 1 610 . 1 1 137 137 PHE H H 1 7.80 0.05 . . . . . A 137 PHE H . 25642 1 611 . 1 1 137 137 PHE C C 13 176.37 0.10 . . . . . A 137 PHE C . 25642 1 612 . 1 1 137 137 PHE CA C 13 58.94 0.25 . . . . . A 137 PHE CA . 25642 1 613 . 1 1 137 137 PHE CB C 13 39.73 0.23 . . . . . A 137 PHE CB . 25642 1 614 . 1 1 137 137 PHE CG C 13 139.72 0.15 . . . . . A 137 PHE CG . 25642 1 615 . 1 1 137 137 PHE N N 15 121.57 0.26 . . . . . A 137 PHE N . 25642 1 616 . 1 1 138 138 GLN H H 1 8.56 0.10 . . . . . A 138 GLN H . 25642 1 617 . 1 1 138 138 GLN N N 15 123.07 0.30 . . . . . A 138 GLN N . 25642 1 stop_ save_