data_7277 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7277 _Entry.Title ; Backbone amide chemical shifts for dG85 T. thermophilus RNase H ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-28 _Entry.Accession_date 2006-08-29 _Entry.Last_release_date 2007-10-09 _Entry.Original_release_date 2007-10-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Joel Butterwick . A. . 7277 2 Arthur Palmer . G. III 7277 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7277 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 144 7277 '1H chemical shifts' 144 7277 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-10-09 2006-08-28 original author . 7277 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 5918 'non-mutant protein' 7277 . 7278 'iG80b ecRNH' 7277 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7277 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17088323 _Citation.Full_citation . _Citation.Title 'An inserted Gly residue fine tunes dynamics between mesophilic and thermophilic ribonucleases H' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 12 _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 2697 _Citation.Page_last 2707 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Joel Butterwick . A. . 7277 1 2 Arthur Palmer . G. III 7277 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7277 _Assembly.ID 1 _Assembly.Name 'dG85 ttRNH' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 'dG85 ttRNH' 1 $dG85_ttRNH . . yes native no no . . . 7277 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dG85_ttRNH _Entity.Sf_category entity _Entity.Sf_framecode dG85_ttRNH _Entity.Entry_ID 7277 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'dG85 ttRNH' _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 ; MNPSPRKRVALFTDGAALGN PGPGGWAALLRFHAHEKLLS GGEASTTNNRMELKAAIEGL KALKEPAEVDLYTDSHYLKK AFTEWLEGWRKRGWRTAEGK PVKNRDLWEALLLAMAPHRV RFHFVKGHTGHPENERVDRE ARRQAQSQAKTPSPPRAPTL FHEEA ; _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5918 . ttRNH . . . . . 100.61 166 99.40 99.40 7.66e-113 . . . . 7277 1 2 no PDB 1RIL . "Crystal Structure Of Ribonuclease H From Thermus Thermophilus Hb8 Refined At 2.8 Angstroms Resolution" . . . . . 100.61 166 96.99 96.99 2.01e-111 . . . . 7277 1 3 no DBJ BAD71379 . "ribonuclease H (RNase H) [Thermus thermophilus HB8]" . . . . . 100.61 166 96.99 96.99 2.01e-111 . . . . 7277 1 4 no EMBL CAA43026 . "ribonuclease h [Thermus thermophilus HB8]" . . . . . 100.61 166 96.99 96.99 2.65e-110 . . . . 7277 1 5 no PIR A42673 . "ribonuclease H (EC 3.1.26.4) - Thermus aquaticus" . . . . . 100.61 166 96.99 96.99 2.01e-111 . . . . 7277 1 6 no REF WP_011228761 . "ribonuclease HI [Thermus thermophilus]" . . . . . 100.61 166 96.99 96.99 2.01e-111 . . . . 7277 1 7 no REF YP_144822 . "ribonuclease H [Thermus thermophilus HB8]" . . . . . 100.61 166 96.99 96.99 2.01e-111 . . . . 7277 1 8 no SP P29253 . "RecName: Full=Ribonuclease H; Short=RNase H [Thermus thermophilus HB8]" . . . . . 100.61 166 96.99 96.99 2.01e-111 . . . . 7277 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 7277 1 2 2 ASN . 7277 1 3 3 PRO . 7277 1 4 4 SER . 7277 1 5 5 PRO . 7277 1 6 6 ARG . 7277 1 7 7 LYS . 7277 1 8 8 ARG . 7277 1 9 9 VAL . 7277 1 10 10 ALA . 7277 1 11 11 LEU . 7277 1 12 12 PHE . 7277 1 13 13 THR . 7277 1 14 14 ASP . 7277 1 15 15 GLY . 7277 1 16 16 ALA . 7277 1 17 17 ALA . 7277 1 18 18 LEU . 7277 1 19 19 GLY . 7277 1 20 20 ASN . 7277 1 21 21 PRO . 7277 1 22 22 GLY . 7277 1 23 23 PRO . 7277 1 24 24 GLY . 7277 1 25 25 GLY . 7277 1 26 26 TRP . 7277 1 27 27 ALA . 7277 1 28 28 ALA . 7277 1 29 29 LEU . 7277 1 30 30 LEU . 7277 1 31 31 ARG . 7277 1 32 32 PHE . 7277 1 33 33 HIS . 7277 1 34 34 ALA . 7277 1 35 35 HIS . 7277 1 36 36 GLU . 7277 1 37 37 LYS . 7277 1 38 38 LEU . 7277 1 39 39 LEU . 7277 1 40 40 SER . 7277 1 41 41 GLY . 7277 1 42 42 GLY . 7277 1 43 43 GLU . 7277 1 44 44 ALA . 7277 1 45 45 SER . 7277 1 46 46 THR . 7277 1 47 47 THR . 7277 1 48 48 ASN . 7277 1 49 49 ASN . 7277 1 50 50 ARG . 7277 1 51 51 MET . 7277 1 52 52 GLU . 7277 1 53 53 LEU . 7277 1 54 54 LYS . 7277 1 55 55 ALA . 7277 1 56 56 ALA . 7277 1 57 57 ILE . 7277 1 58 58 GLU . 7277 1 59 59 GLY . 7277 1 60 60 LEU . 7277 1 61 61 LYS . 7277 1 62 62 ALA . 7277 1 63 63 LEU . 7277 1 64 64 LYS . 7277 1 65 65 GLU . 7277 1 66 66 PRO . 7277 1 67 67 ALA . 7277 1 68 68 GLU . 7277 1 69 69 VAL . 7277 1 70 70 ASP . 7277 1 71 71 LEU . 7277 1 72 72 TYR . 7277 1 73 73 THR . 7277 1 74 74 ASP . 7277 1 75 75 SER . 7277 1 76 76 HIS . 7277 1 77 77 TYR . 7277 1 78 78 LEU . 7277 1 79 79 LYS . 7277 1 80 80 LYS . 7277 1 81 81 ALA . 7277 1 82 82 PHE . 7277 1 83 83 THR . 7277 1 84 84 GLU . 7277 1 85 86 TRP . 7277 1 86 87 LEU . 7277 1 87 88 GLU . 7277 1 88 89 GLY . 7277 1 89 90 TRP . 7277 1 90 91 ARG . 7277 1 91 92 LYS . 7277 1 92 93 ARG . 7277 1 93 94 GLY . 7277 1 94 95 TRP . 7277 1 95 96 ARG . 7277 1 96 97 THR . 7277 1 97 98 ALA . 7277 1 98 99 GLU . 7277 1 99 100 GLY . 7277 1 100 101 LYS . 7277 1 101 102 PRO . 7277 1 102 103 VAL . 7277 1 103 104 LYS . 7277 1 104 105 ASN . 7277 1 105 106 ARG . 7277 1 106 107 ASP . 7277 1 107 108 LEU . 7277 1 108 109 TRP . 7277 1 109 110 GLU . 7277 1 110 111 ALA . 7277 1 111 112 LEU . 7277 1 112 113 LEU . 7277 1 113 114 LEU . 7277 1 114 115 ALA . 7277 1 115 116 MET . 7277 1 116 117 ALA . 7277 1 117 118 PRO . 7277 1 118 119 HIS . 7277 1 119 120 ARG . 7277 1 120 121 VAL . 7277 1 121 122 ARG . 7277 1 122 123 PHE . 7277 1 123 124 HIS . 7277 1 124 125 PHE . 7277 1 125 126 VAL . 7277 1 126 127 LYS . 7277 1 127 128 GLY . 7277 1 128 129 HIS . 7277 1 129 130 THR . 7277 1 130 131 GLY . 7277 1 131 132 HIS . 7277 1 132 133 PRO . 7277 1 133 134 GLU . 7277 1 134 135 ASN . 7277 1 135 136 GLU . 7277 1 136 137 ARG . 7277 1 137 138 VAL . 7277 1 138 139 ASP . 7277 1 139 140 ARG . 7277 1 140 141 GLU . 7277 1 141 142 ALA . 7277 1 142 143 ARG . 7277 1 143 144 ARG . 7277 1 144 145 GLN . 7277 1 145 146 ALA . 7277 1 146 147 GLN . 7277 1 147 148 SER . 7277 1 148 149 GLN . 7277 1 149 150 ALA . 7277 1 150 151 LYS . 7277 1 151 152 THR . 7277 1 152 153 PRO . 7277 1 153 154 SER . 7277 1 154 155 PRO . 7277 1 155 156 PRO . 7277 1 156 157 ARG . 7277 1 157 158 ALA . 7277 1 158 159 PRO . 7277 1 159 160 THR . 7277 1 160 161 LEU . 7277 1 161 162 PHE . 7277 1 162 163 HIS . 7277 1 163 164 GLU . 7277 1 164 165 GLU . 7277 1 165 166 ALA . 7277 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 7277 1 . ASN 2 2 7277 1 . PRO 3 3 7277 1 . SER 4 4 7277 1 . PRO 5 5 7277 1 . ARG 6 6 7277 1 . LYS 7 7 7277 1 . ARG 8 8 7277 1 . VAL 9 9 7277 1 . ALA 10 10 7277 1 . LEU 11 11 7277 1 . PHE 12 12 7277 1 . THR 13 13 7277 1 . ASP 14 14 7277 1 . GLY 15 15 7277 1 . ALA 16 16 7277 1 . ALA 17 17 7277 1 . LEU 18 18 7277 1 . GLY 19 19 7277 1 . ASN 20 20 7277 1 . PRO 21 21 7277 1 . GLY 22 22 7277 1 . PRO 23 23 7277 1 . GLY 24 24 7277 1 . GLY 25 25 7277 1 . TRP 26 26 7277 1 . ALA 27 27 7277 1 . ALA 28 28 7277 1 . LEU 29 29 7277 1 . LEU 30 30 7277 1 . ARG 31 31 7277 1 . PHE 32 32 7277 1 . HIS 33 33 7277 1 . ALA 34 34 7277 1 . HIS 35 35 7277 1 . GLU 36 36 7277 1 . LYS 37 37 7277 1 . LEU 38 38 7277 1 . LEU 39 39 7277 1 . SER 40 40 7277 1 . GLY 41 41 7277 1 . GLY 42 42 7277 1 . GLU 43 43 7277 1 . ALA 44 44 7277 1 . SER 45 45 7277 1 . THR 46 46 7277 1 . THR 47 47 7277 1 . ASN 48 48 7277 1 . ASN 49 49 7277 1 . ARG 50 50 7277 1 . MET 51 51 7277 1 . GLU 52 52 7277 1 . LEU 53 53 7277 1 . LYS 54 54 7277 1 . ALA 55 55 7277 1 . ALA 56 56 7277 1 . ILE 57 57 7277 1 . GLU 58 58 7277 1 . GLY 59 59 7277 1 . LEU 60 60 7277 1 . LYS 61 61 7277 1 . ALA 62 62 7277 1 . LEU 63 63 7277 1 . LYS 64 64 7277 1 . GLU 65 65 7277 1 . PRO 66 66 7277 1 . ALA 67 67 7277 1 . GLU 68 68 7277 1 . VAL 69 69 7277 1 . ASP 70 70 7277 1 . LEU 71 71 7277 1 . TYR 72 72 7277 1 . THR 73 73 7277 1 . ASP 74 74 7277 1 . SER 75 75 7277 1 . HIS 76 76 7277 1 . TYR 77 77 7277 1 . LEU 78 78 7277 1 . LYS 79 79 7277 1 . LYS 80 80 7277 1 . ALA 81 81 7277 1 . PHE 82 82 7277 1 . THR 83 83 7277 1 . GLU 84 84 7277 1 . TRP 85 85 7277 1 . LEU 86 86 7277 1 . GLU 87 87 7277 1 . GLY 88 88 7277 1 . TRP 89 89 7277 1 . ARG 90 90 7277 1 . LYS 91 91 7277 1 . ARG 92 92 7277 1 . GLY 93 93 7277 1 . TRP 94 94 7277 1 . ARG 95 95 7277 1 . THR 96 96 7277 1 . ALA 97 97 7277 1 . GLU 98 98 7277 1 . GLY 99 99 7277 1 . LYS 100 100 7277 1 . PRO 101 101 7277 1 . VAL 102 102 7277 1 . LYS 103 103 7277 1 . ASN 104 104 7277 1 . ARG 105 105 7277 1 . ASP 106 106 7277 1 . LEU 107 107 7277 1 . TRP 108 108 7277 1 . GLU 109 109 7277 1 . ALA 110 110 7277 1 . LEU 111 111 7277 1 . LEU 112 112 7277 1 . LEU 113 113 7277 1 . ALA 114 114 7277 1 . MET 115 115 7277 1 . ALA 116 116 7277 1 . PRO 117 117 7277 1 . HIS 118 118 7277 1 . ARG 119 119 7277 1 . VAL 120 120 7277 1 . ARG 121 121 7277 1 . PHE 122 122 7277 1 . HIS 123 123 7277 1 . PHE 124 124 7277 1 . VAL 125 125 7277 1 . LYS 126 126 7277 1 . GLY 127 127 7277 1 . HIS 128 128 7277 1 . THR 129 129 7277 1 . GLY 130 130 7277 1 . HIS 131 131 7277 1 . PRO 132 132 7277 1 . GLU 133 133 7277 1 . ASN 134 134 7277 1 . GLU 135 135 7277 1 . ARG 136 136 7277 1 . VAL 137 137 7277 1 . ASP 138 138 7277 1 . ARG 139 139 7277 1 . GLU 140 140 7277 1 . ALA 141 141 7277 1 . ARG 142 142 7277 1 . ARG 143 143 7277 1 . GLN 144 144 7277 1 . ALA 145 145 7277 1 . GLN 146 146 7277 1 . SER 147 147 7277 1 . GLN 148 148 7277 1 . ALA 149 149 7277 1 . LYS 150 150 7277 1 . THR 151 151 7277 1 . PRO 152 152 7277 1 . SER 153 153 7277 1 . PRO 154 154 7277 1 . PRO 155 155 7277 1 . ARG 156 156 7277 1 . ALA 157 157 7277 1 . PRO 158 158 7277 1 . THR 159 159 7277 1 . LEU 160 160 7277 1 . PHE 161 161 7277 1 . HIS 162 162 7277 1 . GLU 163 163 7277 1 . GLU 164 164 7277 1 . ALA 165 165 7277 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 7277 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $dG85_ttRNH . 274 organism no 'Thermus thermophilus' 'T. thermophilus' 'T. thermophilus' . Eubacteria Protista Thermus thermophilus HB8 . . . . . . . . . . . . . . . . . . . . 7277 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 7277 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $dG85_ttRNH . 'recombinant technology' . . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 7277 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7277 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 100 mM sodium acetate-d3, pH 5.5, 1 mM DSS, 0.02% (w/v) NaN3, 10% (v/v) D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'dG85 ttRNH' '[U-2H; U-15N]' . . 1 $dG85_ttRNH . . 0.3 . . mM . . . . 7277 1 2 'sodium acetate-d3' . . . . . . . 100 . . mM . . . . 7277 1 3 DSS . . . . . . . 1 . . mM . . . . 7277 1 4 NaN3 . . . . . . . 0.02 . . %(w/v) . . . . 7277 1 5 D2O . . . . . . . 10 . . % . . . . 7277 1 6 H2O . . . . . . . 90 . . % . . . . 7277 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7277 _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' 100 1 mM 7277 1 pH 5.5 0.1 pH 7277 1 temperature 300 1 K 7277 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700MHz_spectrometer _NMR_spectrometer.Entry_ID 7277 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7277 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7277 1 2 HMQC-NOESY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7277 1 stop_ save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 7277 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HMQC-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HMQC-NOESY-HSQC _NMR_spec_expt.Entry_ID 7277 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HMQC-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $700MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7277 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7277 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7277 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7277 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 ; This protein contains a Gly85 deletion; to conform to the residue numbering of the wild-type version we have not adjusted the residue numbers (thus Glu84 is followed by Trp86). ; _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 '1H-15N HSQC' 1 $sample_1 isotropic 7277 1 2 HMQC-NOESY-HSQC 1 $sample_1 isotropic 7277 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 6 6 ARG H H 1 8.444 0.01 . 1 . . . . 6 ARG H . 7277 1 2 . 1 1 6 6 ARG N N 15 121.809 0.1 . 1 . . . . 6 ARG N . 7277 1 3 . 1 1 7 7 LYS H H 1 8.648 0.01 . 1 . . . . 7 LYS H . 7277 1 4 . 1 1 7 7 LYS N N 15 124.058 0.1 . 1 . . . . 7 LYS N . 7277 1 5 . 1 1 8 8 ARG H H 1 8.314 0.01 . 1 . . . . 8 ARG H . 7277 1 6 . 1 1 8 8 ARG N N 15 122.922 0.1 . 1 . . . . 8 ARG N . 7277 1 7 . 1 1 9 9 VAL H H 1 8.824 0.01 . 1 . . . . 9 VAL H . 7277 1 8 . 1 1 9 9 VAL N N 15 124.703 0.1 . 1 . . . . 9 VAL N . 7277 1 9 . 1 1 10 10 ALA H H 1 8.344 0.01 . 1 . . . . 10 ALA H . 7277 1 10 . 1 1 10 10 ALA N N 15 129.423 0.1 . 1 . . . . 10 ALA N . 7277 1 11 . 1 1 11 11 LEU H H 1 8.904 0.01 . 1 . . . . 11 LEU H . 7277 1 12 . 1 1 11 11 LEU N N 15 125.264 0.1 . 1 . . . . 11 LEU N . 7277 1 13 . 1 1 12 12 PHE H H 1 9.437 0.01 . 1 . . . . 12 PHE H . 7277 1 14 . 1 1 12 12 PHE N N 15 126.750 0.1 . 1 . . . . 12 PHE N . 7277 1 15 . 1 1 13 13 THR H H 1 8.004 0.01 . 1 . . . . 13 THR H . 7277 1 16 . 1 1 13 13 THR N N 15 111.753 0.1 . 1 . . . . 13 THR N . 7277 1 17 . 1 1 14 14 ASP H H 1 9.013 0.01 . 1 . . . . 14 ASP H . 7277 1 18 . 1 1 14 14 ASP N N 15 121.468 0.1 . 1 . . . . 14 ASP N . 7277 1 19 . 1 1 15 15 GLY H H 1 8.530 0.01 . 1 . . . . 15 GLY H . 7277 1 20 . 1 1 15 15 GLY N N 15 106.898 0.1 . 1 . . . . 15 GLY N . 7277 1 21 . 1 1 16 16 ALA H H 1 9.103 0.01 . 1 . . . . 16 ALA H . 7277 1 22 . 1 1 16 16 ALA N N 15 122.578 0.1 . 1 . . . . 16 ALA N . 7277 1 23 . 1 1 17 17 ALA H H 1 8.597 0.01 . 1 . . . . 17 ALA H . 7277 1 24 . 1 1 17 17 ALA N N 15 120.516 0.1 . 1 . . . . 17 ALA N . 7277 1 25 . 1 1 18 18 LEU H H 1 9.065 0.01 . 1 . . . . 18 LEU H . 7277 1 26 . 1 1 18 18 LEU N N 15 121.285 0.1 . 1 . . . . 18 LEU N . 7277 1 27 . 1 1 19 19 GLY H H 1 7.206 0.01 . 1 . . . . 19 GLY H . 7277 1 28 . 1 1 19 19 GLY N N 15 105.319 0.1 . 1 . . . . 19 GLY N . 7277 1 29 . 1 1 20 20 ASN H H 1 8.473 0.01 . 1 . . . . 20 ASN H . 7277 1 30 . 1 1 20 20 ASN N N 15 117.132 0.1 . 1 . . . . 20 ASN N . 7277 1 31 . 1 1 22 22 GLY H H 1 9.065 0.01 . 1 . . . . 22 GLY H . 7277 1 32 . 1 1 22 22 GLY N N 15 106.841 0.1 . 1 . . . . 22 GLY N . 7277 1 33 . 1 1 24 24 GLY H H 1 9.007 0.01 . 1 . . . . 24 GLY H . 7277 1 34 . 1 1 24 24 GLY N N 15 109.155 0.1 . 1 . . . . 24 GLY N . 7277 1 35 . 1 1 25 25 GLY H H 1 9.076 0.01 . 1 . . . . 25 GLY H . 7277 1 36 . 1 1 25 25 GLY N N 15 106.193 0.1 . 1 . . . . 25 GLY N . 7277 1 37 . 1 1 26 26 TRP H H 1 8.617 0.01 . 1 . . . . 26 TRP H . 7277 1 38 . 1 1 26 26 TRP N N 15 118.045 0.1 . 1 . . . . 26 TRP N . 7277 1 39 . 1 1 27 27 ALA H H 1 9.066 0.01 . 1 . . . . 27 ALA H . 7277 1 40 . 1 1 27 27 ALA N N 15 119.453 0.1 . 1 . . . . 27 ALA N . 7277 1 41 . 1 1 28 28 ALA H H 1 9.636 0.01 . 1 . . . . 28 ALA H . 7277 1 42 . 1 1 28 28 ALA N N 15 124.173 0.1 . 1 . . . . 28 ALA N . 7277 1 43 . 1 1 29 29 LEU H H 1 9.470 0.01 . 1 . . . . 29 LEU H . 7277 1 44 . 1 1 29 29 LEU N N 15 125.448 0.1 . 1 . . . . 29 LEU N . 7277 1 45 . 1 1 30 30 LEU H H 1 9.315 0.01 . 1 . . . . 30 LEU H . 7277 1 46 . 1 1 30 30 LEU N N 15 129.240 0.1 . 1 . . . . 30 LEU N . 7277 1 47 . 1 1 31 31 ARG H H 1 9.518 0.01 . 1 . . . . 31 ARG H . 7277 1 48 . 1 1 31 31 ARG N N 15 123.359 0.1 . 1 . . . . 31 ARG N . 7277 1 49 . 1 1 32 32 PHE H H 1 8.624 0.01 . 1 . . . . 32 PHE H . 7277 1 50 . 1 1 32 32 PHE N N 15 126.758 0.1 . 1 . . . . 32 PHE N . 7277 1 51 . 1 1 33 33 HIS H H 1 9.211 0.01 . 1 . . . . 33 HIS H . 7277 1 52 . 1 1 33 33 HIS N N 15 122.239 0.1 . 1 . . . . 33 HIS N . 7277 1 53 . 1 1 34 34 ALA H H 1 8.638 0.01 . 1 . . . . 34 ALA H . 7277 1 54 . 1 1 34 34 ALA N N 15 120.957 0.1 . 1 . . . . 34 ALA N . 7277 1 55 . 1 1 35 35 HIS H H 1 7.726 0.01 . 1 . . . . 35 HIS H . 7277 1 56 . 1 1 35 35 HIS N N 15 116.713 0.1 . 1 . . . . 35 HIS N . 7277 1 57 . 1 1 36 36 GLU H H 1 8.647 0.01 . 1 . . . . 36 GLU H . 7277 1 58 . 1 1 36 36 GLU N N 15 120.314 0.1 . 1 . . . . 36 GLU N . 7277 1 59 . 1 1 37 37 LYS H H 1 9.050 0.01 . 1 . . . . 37 LYS H . 7277 1 60 . 1 1 37 37 LYS N N 15 122.527 0.1 . 1 . . . . 37 LYS N . 7277 1 61 . 1 1 38 38 LEU H H 1 8.861 0.01 . 1 . . . . 38 LEU H . 7277 1 62 . 1 1 38 38 LEU N N 15 129.569 0.1 . 1 . . . . 38 LEU N . 7277 1 63 . 1 1 39 39 LEU H H 1 9.721 0.01 . 1 . . . . 39 LEU H . 7277 1 64 . 1 1 39 39 LEU N N 15 130.459 0.1 . 1 . . . . 39 LEU N . 7277 1 65 . 1 1 40 40 SER H H 1 8.069 0.01 . 1 . . . . 40 SER H . 7277 1 66 . 1 1 40 40 SER N N 15 113.883 0.1 . 1 . . . . 40 SER N . 7277 1 67 . 1 1 41 41 GLY H H 1 6.571 0.01 . 1 . . . . 41 GLY H . 7277 1 68 . 1 1 41 41 GLY N N 15 105.933 0.1 . 1 . . . . 41 GLY N . 7277 1 69 . 1 1 42 42 GLY H H 1 8.191 0.01 . 1 . . . . 42 GLY H . 7277 1 70 . 1 1 42 42 GLY N N 15 104.869 0.1 . 1 . . . . 42 GLY N . 7277 1 71 . 1 1 43 43 GLU H H 1 8.388 0.01 . 1 . . . . 43 GLU H . 7277 1 72 . 1 1 43 43 GLU N N 15 118.481 0.1 . 1 . . . . 43 GLU N . 7277 1 73 . 1 1 44 44 ALA H H 1 8.481 0.01 . 1 . . . . 44 ALA H . 7277 1 74 . 1 1 44 44 ALA N N 15 124.239 0.1 . 1 . . . . 44 ALA N . 7277 1 75 . 1 1 45 45 SER H H 1 7.927 0.01 . 1 . . . . 45 SER H . 7277 1 76 . 1 1 45 45 SER N N 15 110.623 0.1 . 1 . . . . 45 SER N . 7277 1 77 . 1 1 46 46 THR H H 1 9.470 0.01 . 1 . . . . 46 THR H . 7277 1 78 . 1 1 46 46 THR N N 15 125.921 0.1 . 1 . . . . 46 THR N . 7277 1 79 . 1 1 47 47 THR H H 1 8.544 0.01 . 1 . . . . 47 THR H . 7277 1 80 . 1 1 47 47 THR N N 15 107.646 0.1 . 1 . . . . 47 THR N . 7277 1 81 . 1 1 48 48 ASN H H 1 9.336 0.01 . 1 . . . . 48 ASN H . 7277 1 82 . 1 1 48 48 ASN N N 15 122.035 0.1 . 1 . . . . 48 ASN N . 7277 1 83 . 1 1 49 49 ASN H H 1 8.535 0.01 . 1 . . . . 49 ASN H . 7277 1 84 . 1 1 49 49 ASN N N 15 116.374 0.1 . 1 . . . . 49 ASN N . 7277 1 85 . 1 1 50 50 ARG H H 1 7.461 0.01 . 1 . . . . 50 ARG H . 7277 1 86 . 1 1 50 50 ARG N N 15 117.245 0.1 . 1 . . . . 50 ARG N . 7277 1 87 . 1 1 51 51 MET H H 1 7.811 0.01 . 1 . . . . 51 MET H . 7277 1 88 . 1 1 51 51 MET N N 15 118.067 0.1 . 1 . . . . 51 MET N . 7277 1 89 . 1 1 52 52 GLU H H 1 8.471 0.01 . 1 . . . . 52 GLU H . 7277 1 90 . 1 1 52 52 GLU N N 15 120.288 0.1 . 1 . . . . 52 GLU N . 7277 1 91 . 1 1 53 53 LEU H H 1 7.450 0.01 . 1 . . . . 53 LEU H . 7277 1 92 . 1 1 53 53 LEU N N 15 118.145 0.1 . 1 . . . . 53 LEU N . 7277 1 93 . 1 1 54 54 LYS H H 1 8.602 0.01 . 1 . . . . 54 LYS H . 7277 1 94 . 1 1 54 54 LYS N N 15 120.926 0.1 . 1 . . . . 54 LYS N . 7277 1 95 . 1 1 55 55 ALA H H 1 7.971 0.01 . 1 . . . . 55 ALA H . 7277 1 96 . 1 1 55 55 ALA N N 15 118.326 0.1 . 1 . . . . 55 ALA N . 7277 1 97 . 1 1 56 56 ALA H H 1 6.765 0.01 . 1 . . . . 56 ALA H . 7277 1 98 . 1 1 56 56 ALA N N 15 116.863 0.1 . 1 . . . . 56 ALA N . 7277 1 99 . 1 1 57 57 ILE H H 1 8.100 0.01 . 1 . . . . 57 ILE H . 7277 1 100 . 1 1 57 57 ILE N N 15 117.483 0.1 . 1 . . . . 57 ILE N . 7277 1 101 . 1 1 58 58 GLU H H 1 8.366 0.01 . 1 . . . . 58 GLU H . 7277 1 102 . 1 1 58 58 GLU N N 15 115.864 0.1 . 1 . . . . 58 GLU N . 7277 1 103 . 1 1 59 59 GLY H H 1 8.079 0.01 . 1 . . . . 59 GLY H . 7277 1 104 . 1 1 59 59 GLY N N 15 106.015 0.1 . 1 . . . . 59 GLY N . 7277 1 105 . 1 1 60 60 LEU H H 1 7.560 0.01 . 1 . . . . 60 LEU H . 7277 1 106 . 1 1 60 60 LEU N N 15 118.013 0.1 . 1 . . . . 60 LEU N . 7277 1 107 . 1 1 61 61 LYS H H 1 8.761 0.01 . 1 . . . . 61 LYS H . 7277 1 108 . 1 1 61 61 LYS N N 15 120.661 0.1 . 1 . . . . 61 LYS N . 7277 1 109 . 1 1 62 62 ALA H H 1 7.155 0.01 . 1 . . . . 62 ALA H . 7277 1 110 . 1 1 62 62 ALA N N 15 118.867 0.1 . 1 . . . . 62 ALA N . 7277 1 111 . 1 1 63 63 LEU H H 1 7.218 0.01 . 1 . . . . 63 LEU H . 7277 1 112 . 1 1 63 63 LEU N N 15 120.051 0.1 . 1 . . . . 63 LEU N . 7277 1 113 . 1 1 64 64 LYS H H 1 8.398 0.01 . 1 . . . . 64 LYS H . 7277 1 114 . 1 1 64 64 LYS N N 15 123.096 0.1 . 1 . . . . 64 LYS N . 7277 1 115 . 1 1 65 65 GLU H H 1 7.679 0.01 . 1 . . . . 65 GLU H . 7277 1 116 . 1 1 65 65 GLU N N 15 118.548 0.1 . 1 . . . . 65 GLU N . 7277 1 117 . 1 1 67 67 ALA H H 1 11.479 0.01 . 1 . . . . 67 ALA H . 7277 1 118 . 1 1 67 67 ALA N N 15 132.131 0.1 . 1 . . . . 67 ALA N . 7277 1 119 . 1 1 68 68 GLU H H 1 8.698 0.01 . 1 . . . . 68 GLU H . 7277 1 120 . 1 1 68 68 GLU N N 15 123.263 0.1 . 1 . . . . 68 GLU N . 7277 1 121 . 1 1 69 69 VAL H H 1 9.095 0.01 . 1 . . . . 69 VAL H . 7277 1 122 . 1 1 69 69 VAL N N 15 126.036 0.1 . 1 . . . . 69 VAL N . 7277 1 123 . 1 1 70 70 ASP H H 1 8.510 0.01 . 1 . . . . 70 ASP H . 7277 1 124 . 1 1 70 70 ASP N N 15 128.823 0.1 . 1 . . . . 70 ASP N . 7277 1 125 . 1 1 71 71 LEU H H 1 8.585 0.01 . 1 . . . . 71 LEU H . 7277 1 126 . 1 1 71 71 LEU N N 15 129.590 0.1 . 1 . . . . 71 LEU N . 7277 1 127 . 1 1 72 72 TYR H H 1 9.374 0.01 . 1 . . . . 72 TYR H . 7277 1 128 . 1 1 72 72 TYR N N 15 126.869 0.1 . 1 . . . . 72 TYR N . 7277 1 129 . 1 1 73 73 THR H H 1 8.299 0.01 . 1 . . . . 73 THR H . 7277 1 130 . 1 1 73 73 THR N N 15 117.348 0.1 . 1 . . . . 73 THR N . 7277 1 131 . 1 1 74 74 ASP H H 1 8.866 0.01 . 1 . . . . 74 ASP H . 7277 1 132 . 1 1 74 74 ASP N N 15 128.914 0.1 . 1 . . . . 74 ASP N . 7277 1 133 . 1 1 75 75 SER H H 1 8.052 0.01 . 1 . . . . 75 SER H . 7277 1 134 . 1 1 75 75 SER N N 15 114.892 0.1 . 1 . . . . 75 SER N . 7277 1 135 . 1 1 76 76 HIS H H 1 9.370 0.01 . 1 . . . . 76 HIS H . 7277 1 136 . 1 1 76 76 HIS N N 15 133.325 0.1 . 1 . . . . 76 HIS N . 7277 1 137 . 1 1 77 77 TYR H H 1 8.634 0.01 . 1 . . . . 77 TYR H . 7277 1 138 . 1 1 77 77 TYR N N 15 122.818 0.1 . 1 . . . . 77 TYR N . 7277 1 139 . 1 1 78 78 LEU H H 1 8.524 0.01 . 1 . . . . 78 LEU H . 7277 1 140 . 1 1 78 78 LEU N N 15 117.287 0.1 . 1 . . . . 78 LEU N . 7277 1 141 . 1 1 79 79 LYS H H 1 7.416 0.01 . 1 . . . . 79 LYS H . 7277 1 142 . 1 1 79 79 LYS N N 15 118.937 0.1 . 1 . . . . 79 LYS N . 7277 1 143 . 1 1 80 80 LYS H H 1 8.025 0.01 . 1 . . . . 80 LYS H . 7277 1 144 . 1 1 80 80 LYS N N 15 121.767 0.1 . 1 . . . . 80 LYS N . 7277 1 145 . 1 1 81 81 ALA H H 1 7.909 0.01 . 1 . . . . 81 ALA H . 7277 1 146 . 1 1 81 81 ALA N N 15 121.110 0.1 . 1 . . . . 81 ALA N . 7277 1 147 . 1 1 82 82 PHE H H 1 8.416 0.01 . 1 . . . . 82 PHE H . 7277 1 148 . 1 1 82 82 PHE N N 15 115.090 0.1 . 1 . . . . 82 PHE N . 7277 1 149 . 1 1 83 83 THR H H 1 7.558 0.01 . 1 . . . . 83 THR H . 7277 1 150 . 1 1 83 83 THR N N 15 108.299 0.1 . 1 . . . . 83 THR N . 7277 1 151 . 1 1 84 84 GLU H H 1 7.634 0.01 . 1 . . . . 84 GLU H . 7277 1 152 . 1 1 84 84 GLU N N 15 119.111 0.1 . 1 . . . . 84 GLU N . 7277 1 153 . 1 1 85 85 TRP H H 1 7.293 0.01 . 1 . . . . 86 TRP H . 7277 1 154 . 1 1 85 85 TRP N N 15 118.777 0.1 . 1 . . . . 86 TRP N . 7277 1 155 . 1 1 86 86 LEU H H 1 8.272 0.01 . 1 . . . . 87 LEU H . 7277 1 156 . 1 1 86 86 LEU N N 15 121.336 0.1 . 1 . . . . 87 LEU N . 7277 1 157 . 1 1 87 87 GLU H H 1 8.209 0.01 . 1 . . . . 88 GLU H . 7277 1 158 . 1 1 87 87 GLU N N 15 118.007 0.1 . 1 . . . . 88 GLU N . 7277 1 159 . 1 1 88 88 GLY H H 1 7.721 0.01 . 1 . . . . 89 GLY H . 7277 1 160 . 1 1 88 88 GLY N N 15 107.785 0.1 . 1 . . . . 89 GLY N . 7277 1 161 . 1 1 89 89 TRP H H 1 7.968 0.01 . 1 . . . . 90 TRP H . 7277 1 162 . 1 1 89 89 TRP N N 15 122.296 0.1 . 1 . . . . 90 TRP N . 7277 1 163 . 1 1 90 90 ARG H H 1 7.935 0.01 . 1 . . . . 91 ARG H . 7277 1 164 . 1 1 90 90 ARG N N 15 117.517 0.1 . 1 . . . . 91 ARG N . 7277 1 165 . 1 1 92 92 ARG H H 1 7.627 0.01 . 1 . . . . 93 ARG H . 7277 1 166 . 1 1 92 92 ARG N N 15 116.840 0.1 . 1 . . . . 93 ARG N . 7277 1 167 . 1 1 93 93 GLY H H 1 7.699 0.01 . 1 . . . . 94 GLY H . 7277 1 168 . 1 1 93 93 GLY N N 15 109.435 0.1 . 1 . . . . 94 GLY N . 7277 1 169 . 1 1 94 94 TRP H H 1 8.609 0.01 . 1 . . . . 95 TRP H . 7277 1 170 . 1 1 94 94 TRP N N 15 114.905 0.1 . 1 . . . . 95 TRP N . 7277 1 171 . 1 1 95 95 ARG H H 1 6.873 0.01 . 1 . . . . 96 ARG H . 7277 1 172 . 1 1 95 95 ARG N N 15 118.074 0.1 . 1 . . . . 96 ARG N . 7277 1 173 . 1 1 96 96 THR H H 1 9.237 0.01 . 1 . . . . 97 THR H . 7277 1 174 . 1 1 96 96 THR N N 15 112.348 0.1 . 1 . . . . 97 THR N . 7277 1 175 . 1 1 97 97 ALA H H 1 9.202 0.01 . 1 . . . . 98 ALA H . 7277 1 176 . 1 1 97 97 ALA N N 15 124.960 0.1 . 1 . . . . 98 ALA N . 7277 1 177 . 1 1 98 98 GLU H H 1 7.771 0.01 . 1 . . . . 99 GLU H . 7277 1 178 . 1 1 98 98 GLU N N 15 114.278 0.1 . 1 . . . . 99 GLU N . 7277 1 179 . 1 1 99 99 GLY H H 1 8.105 0.01 . 1 . . . . 100 GLY H . 7277 1 180 . 1 1 99 99 GLY N N 15 108.662 0.1 . 1 . . . . 100 GLY N . 7277 1 181 . 1 1 100 100 LYS H H 1 7.266 0.01 . 1 . . . . 101 LYS H . 7277 1 182 . 1 1 100 100 LYS N N 15 120.916 0.1 . 1 . . . . 101 LYS N . 7277 1 183 . 1 1 102 102 VAL H H 1 7.691 0.01 . 1 . . . . 103 VAL H . 7277 1 184 . 1 1 102 102 VAL N N 15 124.187 0.1 . 1 . . . . 103 VAL N . 7277 1 185 . 1 1 103 103 LYS H H 1 8.414 0.01 . 1 . . . . 104 LYS H . 7277 1 186 . 1 1 103 103 LYS N N 15 129.349 0.1 . 1 . . . . 104 LYS N . 7277 1 187 . 1 1 104 104 ASN H H 1 9.129 0.01 . 1 . . . . 105 ASN H . 7277 1 188 . 1 1 104 104 ASN N N 15 114.269 0.1 . 1 . . . . 105 ASN N . 7277 1 189 . 1 1 106 106 ASP H H 1 8.594 0.01 . 1 . . . . 107 ASP H . 7277 1 190 . 1 1 106 106 ASP N N 15 115.932 0.1 . 1 . . . . 107 ASP N . 7277 1 191 . 1 1 107 107 LEU H H 1 7.446 0.01 . 1 . . . . 108 LEU H . 7277 1 192 . 1 1 107 107 LEU N N 15 121.977 0.1 . 1 . . . . 108 LEU N . 7277 1 193 . 1 1 108 108 TRP H H 1 8.267 0.01 . 1 . . . . 109 TRP H . 7277 1 194 . 1 1 108 108 TRP N N 15 122.297 0.1 . 1 . . . . 109 TRP N . 7277 1 195 . 1 1 109 109 GLU H H 1 8.528 0.01 . 1 . . . . 110 GLU H . 7277 1 196 . 1 1 109 109 GLU N N 15 117.065 0.1 . 1 . . . . 110 GLU N . 7277 1 197 . 1 1 110 110 ALA H H 1 7.249 0.01 . 1 . . . . 111 ALA H . 7277 1 198 . 1 1 110 110 ALA N N 15 121.524 0.1 . 1 . . . . 111 ALA N . 7277 1 199 . 1 1 111 111 LEU H H 1 8.811 0.01 . 1 . . . . 112 LEU H . 7277 1 200 . 1 1 111 111 LEU N N 15 123.082 0.1 . 1 . . . . 112 LEU N . 7277 1 201 . 1 1 112 112 LEU H H 1 8.448 0.01 . 1 . . . . 113 LEU H . 7277 1 202 . 1 1 112 112 LEU N N 15 119.956 0.1 . 1 . . . . 113 LEU N . 7277 1 203 . 1 1 114 114 ALA H H 1 8.205 0.01 . 1 . . . . 115 ALA H . 7277 1 204 . 1 1 114 114 ALA N N 15 122.758 0.1 . 1 . . . . 115 ALA N . 7277 1 205 . 1 1 115 115 MET H H 1 8.418 0.01 . 1 . . . . 116 MET H . 7277 1 206 . 1 1 115 115 MET N N 15 114.046 0.1 . 1 . . . . 116 MET N . 7277 1 207 . 1 1 116 116 ALA H H 1 7.206 0.01 . 1 . . . . 117 ALA H . 7277 1 208 . 1 1 116 116 ALA N N 15 121.798 0.1 . 1 . . . . 117 ALA N . 7277 1 209 . 1 1 118 118 HIS H H 1 7.772 0.01 . 1 . . . . 119 HIS H . 7277 1 210 . 1 1 118 118 HIS N N 15 116.282 0.1 . 1 . . . . 119 HIS N . 7277 1 211 . 1 1 119 119 ARG H H 1 8.322 0.01 . 1 . . . . 120 ARG H . 7277 1 212 . 1 1 119 119 ARG N N 15 121.483 0.1 . 1 . . . . 120 ARG N . 7277 1 213 . 1 1 120 120 VAL H H 1 8.870 0.01 . 1 . . . . 121 VAL H . 7277 1 214 . 1 1 120 120 VAL N N 15 126.788 0.1 . 1 . . . . 121 VAL N . 7277 1 215 . 1 1 121 121 ARG H H 1 8.942 0.01 . 1 . . . . 122 ARG H . 7277 1 216 . 1 1 121 121 ARG N N 15 129.475 0.1 . 1 . . . . 122 ARG N . 7277 1 217 . 1 1 122 122 PHE H H 1 8.648 0.01 . 1 . . . . 123 PHE H . 7277 1 218 . 1 1 122 122 PHE N N 15 124.930 0.1 . 1 . . . . 123 PHE N . 7277 1 219 . 1 1 123 123 HIS H H 1 8.773 0.01 . 1 . . . . 124 HIS H . 7277 1 220 . 1 1 123 123 HIS N N 15 123.616 0.1 . 1 . . . . 124 HIS N . 7277 1 221 . 1 1 124 124 PHE H H 1 8.674 0.01 . 1 . . . . 125 PHE H . 7277 1 222 . 1 1 124 124 PHE N N 15 124.197 0.1 . 1 . . . . 125 PHE N . 7277 1 223 . 1 1 125 125 VAL H H 1 8.070 0.01 . 1 . . . . 126 VAL H . 7277 1 224 . 1 1 125 125 VAL N N 15 124.301 0.1 . 1 . . . . 126 VAL N . 7277 1 225 . 1 1 126 126 LYS H H 1 8.338 0.01 . 1 . . . . 127 LYS H . 7277 1 226 . 1 1 126 126 LYS N N 15 123.271 0.1 . 1 . . . . 127 LYS N . 7277 1 227 . 1 1 127 127 GLY H H 1 8.459 0.01 . 1 . . . . 128 GLY H . 7277 1 228 . 1 1 127 127 GLY N N 15 112.208 0.1 . 1 . . . . 128 GLY N . 7277 1 229 . 1 1 129 129 THR H H 1 8.039 0.01 . 1 . . . . 130 THR H . 7277 1 230 . 1 1 129 129 THR N N 15 114.985 0.1 . 1 . . . . 130 THR N . 7277 1 231 . 1 1 130 130 GLY H H 1 8.801 0.01 . 1 . . . . 131 GLY H . 7277 1 232 . 1 1 130 130 GLY N N 15 113.036 0.1 . 1 . . . . 131 GLY N . 7277 1 233 . 1 1 131 131 HIS H H 1 8.169 0.01 . 1 . . . . 132 HIS H . 7277 1 234 . 1 1 131 131 HIS N N 15 118.753 0.1 . 1 . . . . 132 HIS N . 7277 1 235 . 1 1 133 133 GLU H H 1 9.315 0.01 . 1 . . . . 134 GLU H . 7277 1 236 . 1 1 133 133 GLU N N 15 119.626 0.1 . 1 . . . . 134 GLU N . 7277 1 237 . 1 1 134 134 ASN H H 1 7.413 0.01 . 1 . . . . 135 ASN H . 7277 1 238 . 1 1 134 134 ASN N N 15 115.997 0.1 . 1 . . . . 135 ASN N . 7277 1 239 . 1 1 135 135 GLU H H 1 7.850 0.01 . 1 . . . . 136 GLU H . 7277 1 240 . 1 1 135 135 GLU N N 15 121.296 0.1 . 1 . . . . 136 GLU N . 7277 1 241 . 1 1 136 136 ARG H H 1 7.772 0.01 . 1 . . . . 137 ARG H . 7277 1 242 . 1 1 136 136 ARG N N 15 119.024 0.1 . 1 . . . . 137 ARG N . 7277 1 243 . 1 1 137 137 VAL H H 1 7.773 0.01 . 1 . . . . 138 VAL H . 7277 1 244 . 1 1 137 137 VAL N N 15 113.110 0.1 . 1 . . . . 138 VAL N . 7277 1 245 . 1 1 138 138 ASP H H 1 7.903 0.01 . 1 . . . . 139 ASP H . 7277 1 246 . 1 1 138 138 ASP N N 15 124.413 0.1 . 1 . . . . 139 ASP N . 7277 1 247 . 1 1 139 139 ARG H H 1 8.015 0.01 . 1 . . . . 140 ARG H . 7277 1 248 . 1 1 139 139 ARG N N 15 117.771 0.1 . 1 . . . . 140 ARG N . 7277 1 249 . 1 1 141 141 ALA H H 1 8.565 0.01 . 1 . . . . 142 ALA H . 7277 1 250 . 1 1 141 141 ALA N N 15 124.484 0.1 . 1 . . . . 142 ALA N . 7277 1 251 . 1 1 142 142 ARG H H 1 7.861 0.01 . 1 . . . . 143 ARG H . 7277 1 252 . 1 1 142 142 ARG N N 15 116.534 0.1 . 1 . . . . 143 ARG N . 7277 1 253 . 1 1 143 143 ARG H H 1 8.252 0.01 . 1 . . . . 144 ARG H . 7277 1 254 . 1 1 143 143 ARG N N 15 123.264 0.1 . 1 . . . . 144 ARG N . 7277 1 255 . 1 1 144 144 GLN H H 1 8.259 0.01 . 1 . . . . 145 GLN H . 7277 1 256 . 1 1 144 144 GLN N N 15 119.481 0.1 . 1 . . . . 145 GLN N . 7277 1 257 . 1 1 145 145 ALA H H 1 8.095 0.01 . 1 . . . . 146 ALA H . 7277 1 258 . 1 1 145 145 ALA N N 15 123.356 0.1 . 1 . . . . 146 ALA N . 7277 1 259 . 1 1 146 146 GLN H H 1 8.016 0.01 . 1 . . . . 147 GLN H . 7277 1 260 . 1 1 146 146 GLN N N 15 115.006 0.1 . 1 . . . . 147 GLN N . 7277 1 261 . 1 1 147 147 SER H H 1 7.966 0.01 . 1 . . . . 148 SER H . 7277 1 262 . 1 1 147 147 SER N N 15 115.763 0.1 . 1 . . . . 148 SER N . 7277 1 263 . 1 1 148 148 GLN H H 1 7.684 0.01 . 1 . . . . 149 GLN H . 7277 1 264 . 1 1 148 148 GLN N N 15 120.225 0.1 . 1 . . . . 149 GLN N . 7277 1 265 . 1 1 149 149 ALA H H 1 7.765 0.01 . 1 . . . . 150 ALA H . 7277 1 266 . 1 1 149 149 ALA N N 15 122.528 0.1 . 1 . . . . 150 ALA N . 7277 1 267 . 1 1 150 150 LYS H H 1 7.828 0.01 . 1 . . . . 151 LYS H . 7277 1 268 . 1 1 150 150 LYS N N 15 119.014 0.1 . 1 . . . . 151 LYS N . 7277 1 269 . 1 1 151 151 THR H H 1 7.989 0.01 . 1 . . . . 152 THR H . 7277 1 270 . 1 1 151 151 THR N N 15 117.490 0.1 . 1 . . . . 152 THR N . 7277 1 271 . 1 1 156 156 ARG H H 1 8.364 0.01 . 1 . . . . 157 ARG H . 7277 1 272 . 1 1 156 156 ARG N N 15 121.833 0.1 . 1 . . . . 157 ARG N . 7277 1 273 . 1 1 157 157 ALA H H 1 8.355 0.01 . 1 . . . . 158 ALA H . 7277 1 274 . 1 1 157 157 ALA N N 15 127.479 0.1 . 1 . . . . 158 ALA N . 7277 1 275 . 1 1 159 159 THR H H 1 8.161 0.01 . 1 . . . . 160 THR H . 7277 1 276 . 1 1 159 159 THR N N 15 115.077 0.1 . 1 . . . . 160 THR N . 7277 1 277 . 1 1 160 160 LEU H H 1 8.179 0.01 . 1 . . . . 161 LEU H . 7277 1 278 . 1 1 160 160 LEU N N 15 125.206 0.1 . 1 . . . . 161 LEU N . 7277 1 279 . 1 1 161 161 PHE H H 1 8.222 0.01 . 1 . . . . 162 PHE H . 7277 1 280 . 1 1 161 161 PHE N N 15 121.744 0.1 . 1 . . . . 162 PHE N . 7277 1 281 . 1 1 162 162 HIS H H 1 8.298 0.01 . 1 . . . . 163 HIS H . 7277 1 282 . 1 1 162 162 HIS N N 15 121.655 0.1 . 1 . . . . 163 HIS N . 7277 1 283 . 1 1 163 163 GLU H H 1 8.467 0.01 . 1 . . . . 164 GLU H . 7277 1 284 . 1 1 163 163 GLU N N 15 123.783 0.1 . 1 . . . . 164 GLU N . 7277 1 285 . 1 1 164 164 GLU H H 1 8.520 0.01 . 1 . . . . 165 GLU H . 7277 1 286 . 1 1 164 164 GLU N N 15 123.382 0.1 . 1 . . . . 165 GLU N . 7277 1 287 . 1 1 165 165 ALA H H 1 7.991 0.01 . 1 . . . . 166 ALA H . 7277 1 288 . 1 1 165 165 ALA N N 15 131.366 0.1 . 1 . . . . 166 ALA N . 7277 1 stop_ save_