data_6182 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6182 _Entry.Title ; Backbone assignments and 15N spin-relaxation rates of Holo-FluA(R95K) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-12 _Entry.Accession_date 2004-04-19 _Entry.Last_release_date 2004-04-19 _Entry.Original_release_date 2004-04-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone 1H, 13C, and 15N chemical shift assignments and 15N spin-relaxation rates for FluA(R95K) complexed with fluorescein' _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 Jeffrey Mills . L . . 6182 2 Thomas Szyperski . . . . 6182 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6182 heteronucl_NOEs 1 6182 heteronucl_T1_relaxation 1 6182 heteronucl_T2_relaxation 1 6182 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 510 6182 '15N chemical shifts' 176 6182 '1H chemical shifts' 176 6182 'T1 relaxation values' 145 6182 'T2 relaxation values' 145 6182 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 . . 2007-08-27 . original BMRB . 6182 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5756 'complete resonance assignments of apo-protein' 6182 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6182 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone chemical shifts and 15N spin-relaxation rates for Holo-FluA(R95K) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Jeffrey Mills . . . . 6182 1 2 Gaohua Liu . . . . 6182 1 3 Arne Skerra . . . . 6182 1 4 Thomas Szyperski . . . . 6182 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FluA(R95K) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FluA(R95K) _Assembly.Entry_ID 6182 _Assembly.ID 1 _Assembly.Name FluA(R95K) _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 21000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6182 1 stop_ 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 FluA(R95K) 1 $FluA(R95K) . . . native . . . . . 6182 1 2 '2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID' 2 $FLU . . . native . . . . . 6182 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 115 115 SG . . . . . . . . . . . . 6182 1 2 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 170 170 SG . . . . . . . . . . . . 6182 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID FluA(R95K) abbreviation 6182 1 FluA(R95K) system 6182 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FluA(R95K) _Entity.Sf_category entity _Entity.Sf_framecode FluA(R95K) _Entity.Entry_ID 6182 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FluA _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 ; DVYHDGACPEVKPVDNFDWS QYHGKWWEVAKYPSPNGKYG KCGWAEYTPEGKSVKVSRYD VIHGKEYFMEGTAYPVGDSK IGKIYHSRTVGGYTKKTVFN VLSTDNKNYIIGYSCRYDED KKGHWDHVWVLSRSMVLTGE AKTAVENYLIGSPVVDSQKL VYSDFSEAACKVNNSNWSHP QFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FLU _Entity.Nonpolymer_comp_label $chem_comp_FLU _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _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 2010-09-19 _Entity.DB_query_revised_last_date 2010-07-24 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 5756 . 'fluorescein-bind lipocalin' . . . . . 100.00 184 100.00 100.00 7.33e-104 . . . . 6182 1 2 no PDB 1N0S . 'Engineered Lipocalin Flua In Complex With Fluorescein' . . . . . 100.00 184 99.46 100.00 1.04e-103 . . . . 6182 1 3 no PDB 1T0V . 'Nmr Solution Structure Of The Engineered Lipocalin Flua(R95k) Northeast Structural Genomics Target Or17' . . . . . 100.00 184 100.00 100.00 7.33e-104 . . . . 6182 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FluA abbreviation 6182 1 FluA common 6182 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 ASP . 6182 1 2 2 VAL . 6182 1 3 3 TYR . 6182 1 4 4 HIS . 6182 1 5 5 ASP . 6182 1 6 6 GLY . 6182 1 7 7 ALA . 6182 1 8 8 CYS . 6182 1 9 9 PRO . 6182 1 10 10 GLU . 6182 1 11 11 VAL . 6182 1 12 12 LYS . 6182 1 13 13 PRO . 6182 1 14 14 VAL . 6182 1 15 15 ASP . 6182 1 16 16 ASN . 6182 1 17 17 PHE . 6182 1 18 18 ASP . 6182 1 19 19 TRP . 6182 1 20 20 SER . 6182 1 21 21 GLN . 6182 1 22 22 TYR . 6182 1 23 23 HIS . 6182 1 24 24 GLY . 6182 1 25 25 LYS . 6182 1 26 26 TRP . 6182 1 27 27 TRP . 6182 1 28 28 GLU . 6182 1 29 29 VAL . 6182 1 30 30 ALA . 6182 1 31 31 LYS . 6182 1 32 32 TYR . 6182 1 33 33 PRO . 6182 1 34 34 SER . 6182 1 35 35 PRO . 6182 1 36 36 ASN . 6182 1 37 37 GLY . 6182 1 38 38 LYS . 6182 1 39 39 TYR . 6182 1 40 40 GLY . 6182 1 41 41 LYS . 6182 1 42 42 CYS . 6182 1 43 43 GLY . 6182 1 44 44 TRP . 6182 1 45 45 ALA . 6182 1 46 46 GLU . 6182 1 47 47 TYR . 6182 1 48 48 THR . 6182 1 49 49 PRO . 6182 1 50 50 GLU . 6182 1 51 51 GLY . 6182 1 52 52 LYS . 6182 1 53 53 SER . 6182 1 54 54 VAL . 6182 1 55 55 LYS . 6182 1 56 56 VAL . 6182 1 57 57 SER . 6182 1 58 58 ARG . 6182 1 59 59 TYR . 6182 1 60 60 ASP . 6182 1 61 61 VAL . 6182 1 62 62 ILE . 6182 1 63 63 HIS . 6182 1 64 64 GLY . 6182 1 65 65 LYS . 6182 1 66 66 GLU . 6182 1 67 67 TYR . 6182 1 68 68 PHE . 6182 1 69 69 MET . 6182 1 70 70 GLU . 6182 1 71 71 GLY . 6182 1 72 72 THR . 6182 1 73 73 ALA . 6182 1 74 74 TYR . 6182 1 75 75 PRO . 6182 1 76 76 VAL . 6182 1 77 77 GLY . 6182 1 78 78 ASP . 6182 1 79 79 SER . 6182 1 80 80 LYS . 6182 1 81 81 ILE . 6182 1 82 82 GLY . 6182 1 83 83 LYS . 6182 1 84 84 ILE . 6182 1 85 85 TYR . 6182 1 86 86 HIS . 6182 1 87 87 SER . 6182 1 88 88 ARG . 6182 1 89 89 THR . 6182 1 90 90 VAL . 6182 1 91 91 GLY . 6182 1 92 92 GLY . 6182 1 93 93 TYR . 6182 1 94 94 THR . 6182 1 95 95 LYS . 6182 1 96 96 LYS . 6182 1 97 97 THR . 6182 1 98 98 VAL . 6182 1 99 99 PHE . 6182 1 100 100 ASN . 6182 1 101 101 VAL . 6182 1 102 102 LEU . 6182 1 103 103 SER . 6182 1 104 104 THR . 6182 1 105 105 ASP . 6182 1 106 106 ASN . 6182 1 107 107 LYS . 6182 1 108 108 ASN . 6182 1 109 109 TYR . 6182 1 110 110 ILE . 6182 1 111 111 ILE . 6182 1 112 112 GLY . 6182 1 113 113 TYR . 6182 1 114 114 SER . 6182 1 115 115 CYS . 6182 1 116 116 ARG . 6182 1 117 117 TYR . 6182 1 118 118 ASP . 6182 1 119 119 GLU . 6182 1 120 120 ASP . 6182 1 121 121 LYS . 6182 1 122 122 LYS . 6182 1 123 123 GLY . 6182 1 124 124 HIS . 6182 1 125 125 TRP . 6182 1 126 126 ASP . 6182 1 127 127 HIS . 6182 1 128 128 VAL . 6182 1 129 129 TRP . 6182 1 130 130 VAL . 6182 1 131 131 LEU . 6182 1 132 132 SER . 6182 1 133 133 ARG . 6182 1 134 134 SER . 6182 1 135 135 MET . 6182 1 136 136 VAL . 6182 1 137 137 LEU . 6182 1 138 138 THR . 6182 1 139 139 GLY . 6182 1 140 140 GLU . 6182 1 141 141 ALA . 6182 1 142 142 LYS . 6182 1 143 143 THR . 6182 1 144 144 ALA . 6182 1 145 145 VAL . 6182 1 146 146 GLU . 6182 1 147 147 ASN . 6182 1 148 148 TYR . 6182 1 149 149 LEU . 6182 1 150 150 ILE . 6182 1 151 151 GLY . 6182 1 152 152 SER . 6182 1 153 153 PRO . 6182 1 154 154 VAL . 6182 1 155 155 VAL . 6182 1 156 156 ASP . 6182 1 157 157 SER . 6182 1 158 158 GLN . 6182 1 159 159 LYS . 6182 1 160 160 LEU . 6182 1 161 161 VAL . 6182 1 162 162 TYR . 6182 1 163 163 SER . 6182 1 164 164 ASP . 6182 1 165 165 PHE . 6182 1 166 166 SER . 6182 1 167 167 GLU . 6182 1 168 168 ALA . 6182 1 169 169 ALA . 6182 1 170 170 CYS . 6182 1 171 171 LYS . 6182 1 172 172 VAL . 6182 1 173 173 ASN . 6182 1 174 174 ASN . 6182 1 175 175 SER . 6182 1 176 176 ASN . 6182 1 177 177 TRP . 6182 1 178 178 SER . 6182 1 179 179 HIS . 6182 1 180 180 PRO . 6182 1 181 181 GLN . 6182 1 182 182 PHE . 6182 1 183 183 GLU . 6182 1 184 184 LYS . 6182 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 . ASP 1 1 6182 1 . VAL 2 2 6182 1 . TYR 3 3 6182 1 . HIS 4 4 6182 1 . ASP 5 5 6182 1 . GLY 6 6 6182 1 . ALA 7 7 6182 1 . CYS 8 8 6182 1 . PRO 9 9 6182 1 . GLU 10 10 6182 1 . VAL 11 11 6182 1 . LYS 12 12 6182 1 . PRO 13 13 6182 1 . VAL 14 14 6182 1 . ASP 15 15 6182 1 . ASN 16 16 6182 1 . PHE 17 17 6182 1 . ASP 18 18 6182 1 . TRP 19 19 6182 1 . SER 20 20 6182 1 . GLN 21 21 6182 1 . TYR 22 22 6182 1 . HIS 23 23 6182 1 . GLY 24 24 6182 1 . LYS 25 25 6182 1 . TRP 26 26 6182 1 . TRP 27 27 6182 1 . GLU 28 28 6182 1 . VAL 29 29 6182 1 . ALA 30 30 6182 1 . LYS 31 31 6182 1 . TYR 32 32 6182 1 . PRO 33 33 6182 1 . SER 34 34 6182 1 . PRO 35 35 6182 1 . ASN 36 36 6182 1 . GLY 37 37 6182 1 . LYS 38 38 6182 1 . TYR 39 39 6182 1 . GLY 40 40 6182 1 . LYS 41 41 6182 1 . CYS 42 42 6182 1 . GLY 43 43 6182 1 . TRP 44 44 6182 1 . ALA 45 45 6182 1 . GLU 46 46 6182 1 . TYR 47 47 6182 1 . THR 48 48 6182 1 . PRO 49 49 6182 1 . GLU 50 50 6182 1 . GLY 51 51 6182 1 . LYS 52 52 6182 1 . SER 53 53 6182 1 . VAL 54 54 6182 1 . LYS 55 55 6182 1 . VAL 56 56 6182 1 . SER 57 57 6182 1 . ARG 58 58 6182 1 . TYR 59 59 6182 1 . ASP 60 60 6182 1 . VAL 61 61 6182 1 . ILE 62 62 6182 1 . HIS 63 63 6182 1 . GLY 64 64 6182 1 . LYS 65 65 6182 1 . GLU 66 66 6182 1 . TYR 67 67 6182 1 . PHE 68 68 6182 1 . MET 69 69 6182 1 . GLU 70 70 6182 1 . GLY 71 71 6182 1 . THR 72 72 6182 1 . ALA 73 73 6182 1 . TYR 74 74 6182 1 . PRO 75 75 6182 1 . VAL 76 76 6182 1 . GLY 77 77 6182 1 . ASP 78 78 6182 1 . SER 79 79 6182 1 . LYS 80 80 6182 1 . ILE 81 81 6182 1 . GLY 82 82 6182 1 . LYS 83 83 6182 1 . ILE 84 84 6182 1 . TYR 85 85 6182 1 . HIS 86 86 6182 1 . SER 87 87 6182 1 . ARG 88 88 6182 1 . THR 89 89 6182 1 . VAL 90 90 6182 1 . GLY 91 91 6182 1 . GLY 92 92 6182 1 . TYR 93 93 6182 1 . THR 94 94 6182 1 . LYS 95 95 6182 1 . LYS 96 96 6182 1 . THR 97 97 6182 1 . VAL 98 98 6182 1 . PHE 99 99 6182 1 . ASN 100 100 6182 1 . VAL 101 101 6182 1 . LEU 102 102 6182 1 . SER 103 103 6182 1 . THR 104 104 6182 1 . ASP 105 105 6182 1 . ASN 106 106 6182 1 . LYS 107 107 6182 1 . ASN 108 108 6182 1 . TYR 109 109 6182 1 . ILE 110 110 6182 1 . ILE 111 111 6182 1 . GLY 112 112 6182 1 . TYR 113 113 6182 1 . SER 114 114 6182 1 . CYS 115 115 6182 1 . ARG 116 116 6182 1 . TYR 117 117 6182 1 . ASP 118 118 6182 1 . GLU 119 119 6182 1 . ASP 120 120 6182 1 . LYS 121 121 6182 1 . LYS 122 122 6182 1 . GLY 123 123 6182 1 . HIS 124 124 6182 1 . TRP 125 125 6182 1 . ASP 126 126 6182 1 . HIS 127 127 6182 1 . VAL 128 128 6182 1 . TRP 129 129 6182 1 . VAL 130 130 6182 1 . LEU 131 131 6182 1 . SER 132 132 6182 1 . ARG 133 133 6182 1 . SER 134 134 6182 1 . MET 135 135 6182 1 . VAL 136 136 6182 1 . LEU 137 137 6182 1 . THR 138 138 6182 1 . GLY 139 139 6182 1 . GLU 140 140 6182 1 . ALA 141 141 6182 1 . LYS 142 142 6182 1 . THR 143 143 6182 1 . ALA 144 144 6182 1 . VAL 145 145 6182 1 . GLU 146 146 6182 1 . ASN 147 147 6182 1 . TYR 148 148 6182 1 . LEU 149 149 6182 1 . ILE 150 150 6182 1 . GLY 151 151 6182 1 . SER 152 152 6182 1 . PRO 153 153 6182 1 . VAL 154 154 6182 1 . VAL 155 155 6182 1 . ASP 156 156 6182 1 . SER 157 157 6182 1 . GLN 158 158 6182 1 . LYS 159 159 6182 1 . LEU 160 160 6182 1 . VAL 161 161 6182 1 . TYR 162 162 6182 1 . SER 163 163 6182 1 . ASP 164 164 6182 1 . PHE 165 165 6182 1 . SER 166 166 6182 1 . GLU 167 167 6182 1 . ALA 168 168 6182 1 . ALA 169 169 6182 1 . CYS 170 170 6182 1 . LYS 171 171 6182 1 . VAL 172 172 6182 1 . ASN 173 173 6182 1 . ASN 174 174 6182 1 . SER 175 175 6182 1 . ASN 176 176 6182 1 . TRP 177 177 6182 1 . SER 178 178 6182 1 . HIS 179 179 6182 1 . PRO 180 180 6182 1 . GLN 181 181 6182 1 . PHE 182 182 6182 1 . GLU 183 183 6182 1 . LYS 184 184 6182 1 stop_ save_ save_FLU _Entity.Sf_category entity _Entity.Sf_framecode FLU _Entity.Entry_ID 6182 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FLU _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FLU _Entity.Nonpolymer_comp_label $chem_comp_FLU _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . FLU . 6182 2 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 6182 _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 $FluA(R95K) . 7116 organism . 'Pieris brassicae' 'cabbage butterfly' . . Eukaryota Metazoa Pieris brassicae . . . . . . . . . . . . . 6182 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 6182 _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 $FluA(R95K) . 'recombinant technology' . . . . . . . . . . . . . . . . 6182 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FLU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FLU _Chem_comp.Entry_ID 6182 _Chem_comp.ID FLU _Chem_comp.Provenance PDB _Chem_comp.Name '2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FLU _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FLU _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms FLUORESCEIN _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C20 H12 O5' _Chem_comp.Formula_weight 332.306 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 14:50:53 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24) InChI InChI 1.03 6182 FLU O=C(O)c4ccccc4C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3 SMILES ACDLabs 10.04 6182 FLU OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 SMILES CACTVS 3.341 6182 FLU OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 SMILES_CANONICAL CACTVS 3.341 6182 FLU YKGGGCXBWXHKIZ-UHFFFAOYSA-N InChIKey InChI 1.03 6182 FLU c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 6182 FLU c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6182 FLU stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6182 FLU '2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 6182 FLU stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . yes no . . . . 28.852 . 22.311 . 42.336 . -0.229 -0.097 4.090 1 . 6182 FLU O1 . O1 . . O . . N 0 . . . . no no . . . . 29.932 . 21.976 . 42.826 . -0.266 0.009 5.441 2 . 6182 FLU C2 . C2 . . C . . N 0 . . . . yes no . . . . 28.101 . 21.255 . 41.765 . 0.980 0.020 3.425 3 . 6182 FLU C3 . C3 . . C . . N 0 . . . . yes no . . . . 26.893 . 21.692 . 41.215 . 1.023 -0.088 2.043 4 . 6182 FLU O2 . O2 . . O . . N 0 . . . . yes no . . . . 26.141 . 20.574 . 40.574 . 2.196 0.024 1.387 5 . 6182 FLU C4 . C4 . . C . . N 0 . . . . yes no . . . . 25.101 . 21.027 . 40.118 . 2.285 -0.074 0.044 6 . 6182 FLU C5 . C5 . . C . . N 0 . . . . yes no . . . . 24.428 . 19.924 . 39.557 . 3.516 0.049 -0.569 7 . 6182 FLU C6 . C6 . . C . . N 0 . . . . yes no . . . . 23.225 . 20.272 . 38.949 . 3.614 -0.052 -1.962 8 . 6182 FLU O3 . O3 . . O . . N 0 . . . . no no . . . . 22.571 . 19.366 . 38.432 . 4.707 0.056 -2.505 9 . 6182 FLU C7 . C7 . . C . . N 0 . . . . yes no . . . . 22.723 . 21.543 . 38.937 . 2.462 -0.281 -2.743 10 . 6182 FLU C8 . C8 . . C . . N 0 . . . . yes no . . . . 23.432 . 22.616 . 39.533 . 1.249 -0.404 -2.150 11 . 6182 FLU C9 . C9 . . C . . N 0 . . . . yes no . . . . 24.642 . 22.274 . 40.132 . 1.136 -0.304 -0.749 12 . 6182 FLU C10 . C10 . . C . . N 0 . . . . yes no . . . . 25.287 . 23.429 . 40.756 . -0.124 -0.432 -0.125 13 . 6182 FLU C11 . C11 . . C . . N 0 . . . . yes no . . . . 26.421 . 22.938 . 41.259 . -0.174 -0.313 1.333 14 . 6182 FLU C12 . C12 . . C . . N 0 . . . . yes no . . . . 27.154 . 23.982 . 41.902 . -1.388 -0.434 2.023 15 . 6182 FLU C13 . C13 . . C . . N 0 . . . . yes no . . . . 28.402 . 23.565 . 42.405 . -1.410 -0.324 3.381 16 . 6182 FLU C14 . C14 . . C . . N 0 . . . . yes no . . . . 24.786 . 24.653 . 40.745 . -1.346 -0.671 -0.914 17 . 6182 FLU C15 . C15 . . C . . N 0 . . . . yes no . . . . 24.617 . 25.425 . 39.605 . -1.759 -1.975 -1.193 18 . 6182 FLU C16 . C16 . . C . . N 0 . . . . yes no . . . . 24.009 . 26.664 . 39.534 . -2.904 -2.192 -1.933 19 . 6182 FLU C17 . C17 . . C . . N 0 . . . . yes no . . . . 23.524 . 27.254 . 40.749 . -3.653 -1.124 -2.397 20 . 6182 FLU C18 . C18 . . C . . N 0 . . . . yes no . . . . 23.745 . 26.440 . 41.867 . -3.264 0.174 -2.127 21 . 6182 FLU C19 . C19 . . C . . N 0 . . . . yes no . . . . 24.302 . 25.191 . 41.969 . -2.112 0.415 -1.383 22 . 6182 FLU C20 . C20 . . C . . N 0 . . . . no no . . . . 24.334 . 24.672 . 43.283 . -1.692 1.801 -1.091 23 . 6182 FLU O4 . O4 . . O . . N 0 . . . . no no . . . . 23.764 . 23.410 . 43.277 . -0.686 2.007 -0.442 24 . 6182 FLU O5 . O5 . . O . . N 0 . . . . no no . . . . 24.854 . 25.151 . 44.423 . -2.424 2.837 -1.546 25 . 6182 FLU HO1 . HO1 . . H . . N 0 . . . . no no . . . . 30.435 . 22.684 . 43.209 . -0.404 0.944 5.644 26 . 6182 FLU H2 . H2 . . H . . N 0 . . . . no no . . . . 28.423 . 20.200 . 41.750 . 1.889 0.195 3.982 27 . 6182 FLU H5 . H5 . . H . . N 0 . . . . no no . . . . 24.806 . 18.888 . 39.590 . 4.401 0.224 0.023 28 . 6182 FLU H7 . H7 . . H . . N 0 . . . . no no . . . . 21.747 . 21.702 . 38.447 . 2.546 -0.358 -3.817 29 . 6182 FLU H8 . H8 . . H . . N 0 . . . . no no . . . . 23.063 . 23.655 . 39.530 . 0.369 -0.580 -2.751 30 . 6182 FLU H12 . H12 . . H . . N 0 . . . . no no . . . . 26.788 . 25.018 . 42.001 . -2.305 -0.609 1.479 31 . 6182 FLU H13 . H13 . . H . . N 0 . . . . no no . . . . 29.084 . 24.280 . 42.894 . -2.346 -0.413 3.912 32 . 6182 FLU H15 . H15 . . H . . N 0 . . . . no no . . . . 25.005 . 25.011 . 38.659 . -1.180 -2.813 -0.833 33 . 6182 FLU H16 . H16 . . H . . N 0 . . . . no no . . . . 23.915 . 27.159 . 38.552 . -3.218 -3.202 -2.150 34 . 6182 FLU H17 . H17 . . H . . N 0 . . . . no no . . . . 23.029 . 28.237 . 40.817 . -4.547 -1.307 -2.975 35 . 6182 FLU H18 . H18 . . H . . N 0 . . . . no no . . . . 23.424 . 26.855 . 42.837 . -3.854 1.001 -2.492 36 . 6182 FLU HO5 . HO5 . . H . . N 0 . . . . no no . . . . 24.875 . 24.802 . 45.306 . -2.149 3.744 -1.355 37 . 6182 FLU stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 O1 no N 1 . 6182 FLU 2 . DOUB C1 C2 yes N 2 . 6182 FLU 3 . SING C1 C13 yes N 3 . 6182 FLU 4 . SING O1 HO1 no N 4 . 6182 FLU 5 . SING C2 C3 yes N 5 . 6182 FLU 6 . SING C2 H2 no N 6 . 6182 FLU 7 . SING C3 O2 yes N 7 . 6182 FLU 8 . DOUB C3 C11 yes N 8 . 6182 FLU 9 . SING O2 C4 yes N 9 . 6182 FLU 10 . DOUB C4 C5 yes N 10 . 6182 FLU 11 . SING C4 C9 yes N 11 . 6182 FLU 12 . SING C5 C6 yes N 12 . 6182 FLU 13 . SING C5 H5 no N 13 . 6182 FLU 14 . DOUB C6 O3 no N 14 . 6182 FLU 15 . SING C6 C7 yes N 15 . 6182 FLU 16 . DOUB C7 C8 yes N 16 . 6182 FLU 17 . SING C7 H7 no N 17 . 6182 FLU 18 . SING C8 C9 yes N 18 . 6182 FLU 19 . SING C8 H8 no N 19 . 6182 FLU 20 . DOUB C9 C10 yes N 20 . 6182 FLU 21 . SING C10 C11 yes N 21 . 6182 FLU 22 . SING C10 C14 yes N 22 . 6182 FLU 23 . SING C11 C12 yes N 23 . 6182 FLU 24 . DOUB C12 C13 yes N 24 . 6182 FLU 25 . SING C12 H12 no N 25 . 6182 FLU 26 . SING C13 H13 no N 26 . 6182 FLU 27 . DOUB C14 C15 yes N 27 . 6182 FLU 28 . SING C14 C19 yes N 28 . 6182 FLU 29 . SING C15 C16 yes N 29 . 6182 FLU 30 . SING C15 H15 no N 30 . 6182 FLU 31 . DOUB C16 C17 yes N 31 . 6182 FLU 32 . SING C16 H16 no N 32 . 6182 FLU 33 . SING C17 C18 yes N 33 . 6182 FLU 34 . SING C17 H17 no N 34 . 6182 FLU 35 . DOUB C18 C19 yes N 35 . 6182 FLU 36 . SING C18 H18 no N 36 . 6182 FLU 37 . SING C19 C20 no N 37 . 6182 FLU 38 . DOUB C20 O4 no N 38 . 6182 FLU 39 . SING C20 O5 no N 39 . 6182 FLU 40 . SING O5 HO5 no N 40 . 6182 FLU stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_U-13C_15N_FluA(R95K) _Sample.Sf_category sample _Sample.Sf_framecode sample_U-13C_15N_FluA(R95K) _Sample.Entry_ID 6182 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 FluA '[U-13C; U-15N]' . . 1 $FluA(R95K) . . 700 . . uM . . . . 6182 1 2 'sodium chloride' . . . . . . . 150 . . mM . . . . 6182 1 3 'sodium phosphate' . . . . . . . 10 . . mM . . . . 6182 1 4 EDTA . . . . . . . 200 . . uM . . . . 6182 1 5 benzamidine . . . . . . . 50 . . mM . . . . 6182 1 stop_ save_ save_sample_50%_2H_U-15N_FluA(R95K) _Sample.Sf_category sample _Sample.Sf_framecode sample_50%_2H_U-15N_FluA(R95K) _Sample.Entry_ID 6182 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 FluA '[U-50% 2H; U-15N]' . . 1 $FluA(R95K) . . 700 . . uM . . . . 6182 2 2 'sodium chloride' . . . . . . . 150 . . mM . . . . 6182 2 3 'sodium phosphate' . . . . . . . 10 . . mM . . . . 6182 2 4 EDTA . . . . . . . 200 . . uM . . . . 6182 2 5 benzamidine . . . . . . . 50 . . mM . . . . 6182 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6182 _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 pH* 6.4 0.2 n/a 6182 1 temperature 298 1 K 6182 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_SUNY_Buffalo_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode SUNY_Buffalo_600 _NMR_spectrometer.Entry_ID 6182 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_SUNY_Buffalo_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode SUNY_Buffalo_750 _NMR_spectrometer.Entry_ID 6182 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6182 _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 SUNY_Buffalo_600 Varian INOVA . 600 . . . 6182 1 2 SUNY_Buffalo_750 Varian INOVA . 750 . . . 6182 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 6182 _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 '[15N, 1H]-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 2 HNNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 3 HNNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 4 HNN(CO)CA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 5 HNNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 6 HNN(CO)CACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 7 15N{1H}-NOE . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 8 '15N T1' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 9 '15N T2' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6182 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_FluA(R95)_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode FluA(R95)_chemical_shift_reference _Chem_shift_reference.Entry_ID 6182 _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 0.0 . indirect 0.251449530 . . . . . 6182 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6182 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6182 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_FluA(R95K)_Backbone_1H_13C_15N_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode FluA(R95K)_Backbone_1H_13C_15N_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6182 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $FluA(R95)_chemical_shift_reference _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 '[15N, 1H]-HSQC' . . . 6182 1 2 HNNCO . . . 6182 1 3 HNNCA . . . 6182 1 4 HNN(CO)CA . . . 6182 1 5 HNNCACB . . . 6182 1 6 HNN(CO)CACB . . . 6182 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP CA C 13 53.1 0.1 . 1 . . . . . 1 . . . 6182 1 2 . 1 1 1 1 ASP CB C 13 40.5 0.1 . 1 . . . . . 1 . . . 6182 1 3 . 1 1 1 1 ASP C C 13 172.1 0.1 . 1 . . . . . 1 . . . 6182 1 4 . 1 1 2 2 VAL N N 15 120.0 0.2 . 1 . . . . . 2 . . . 6182 1 5 . 1 1 2 2 VAL H H 1 9.73 0.01 . 1 . . . . . 2 . . . 6182 1 6 . 1 1 2 2 VAL CA C 13 61.2 0.1 . 1 . . . . . 2 . . . 6182 1 7 . 1 1 2 2 VAL CB C 13 35.7 0.1 . 1 . . . . . 2 . . . 6182 1 8 . 1 1 2 2 VAL C C 13 173.5 0.1 . 1 . . . . . 2 . . . 6182 1 9 . 1 1 3 3 TYR N N 15 128.1 0.2 . 1 . . . . . 3 . . . 6182 1 10 . 1 1 3 3 TYR H H 1 8.23 0.01 . 1 . . . . . 3 . . . 6182 1 11 . 1 1 3 3 TYR CA C 13 57.6 0.1 . 1 . . . . . 3 . . . 6182 1 12 . 1 1 3 3 TYR CB C 13 38.4 0.1 . 1 . . . . . 3 . . . 6182 1 13 . 1 1 3 3 TYR C C 13 174.8 0.1 . 1 . . . . . 3 . . . 6182 1 14 . 1 1 4 4 HIS N N 15 123.6 0.2 . 1 . . . . . 4 . . . 6182 1 15 . 1 1 4 4 HIS H H 1 7.64 0.01 . 1 . . . . . 4 . . . 6182 1 16 . 1 1 4 4 HIS CA C 13 53.3 0.1 . 1 . . . . . 4 . . . 6182 1 17 . 1 1 4 4 HIS CB C 13 32.7 0.1 . 1 . . . . . 4 . . . 6182 1 18 . 1 1 4 4 HIS C C 13 172.0 0.1 . 1 . . . . . 4 . . . 6182 1 19 . 1 1 5 5 ASP N N 15 119.9 0.2 . 1 . . . . . 5 . . . 6182 1 20 . 1 1 5 5 ASP H H 1 8.24 0.01 . 1 . . . . . 5 . . . 6182 1 21 . 1 1 5 5 ASP CA C 13 55.4 0.1 . 1 . . . . . 5 . . . 6182 1 22 . 1 1 5 5 ASP CB C 13 42.3 0.1 . 1 . . . . . 5 . . . 6182 1 23 . 1 1 5 5 ASP C C 13 176.9 0.1 . 1 . . . . . 5 . . . 6182 1 24 . 1 1 6 6 GLY N N 15 107.7 0.2 . 1 . . . . . 6 . . . 6182 1 25 . 1 1 6 6 GLY H H 1 8.34 0.01 . 1 . . . . . 6 . . . 6182 1 26 . 1 1 6 6 GLY CA C 13 44.8 0.1 . 1 . . . . . 6 . . . 6182 1 27 . 1 1 6 6 GLY C C 13 175.3 0.1 . 1 . . . . . 6 . . . 6182 1 28 . 1 1 7 7 ALA N N 15 123.2 0.2 . 1 . . . . . 7 . . . 6182 1 29 . 1 1 7 7 ALA H H 1 8.48 0.01 . 1 . . . . . 7 . . . 6182 1 30 . 1 1 7 7 ALA CA C 13 51.9 0.1 . 1 . . . . . 7 . . . 6182 1 31 . 1 1 7 7 ALA CB C 13 19.5 0.1 . 1 . . . . . 7 . . . 6182 1 32 . 1 1 7 7 ALA C C 13 178.0 0.1 . 1 . . . . . 7 . . . 6182 1 33 . 1 1 8 8 CYS N N 15 116.4 0.2 . 1 . . . . . 8 . . . 6182 1 34 . 1 1 8 8 CYS H H 1 8.17 0.01 . 1 . . . . . 8 . . . 6182 1 35 . 1 1 8 8 CYS CA C 13 56.1 0.1 . 1 . . . . . 8 . . . 6182 1 36 . 1 1 8 8 CYS CB C 13 41.6 0.1 . 1 . . . . . 8 . . . 6182 1 37 . 1 1 9 9 PRO CA C 13 62.0 0.1 . 1 . . . . . 9 . . . 6182 1 38 . 1 1 9 9 PRO CB C 13 32.0 0.1 . 1 . . . . . 9 . . . 6182 1 39 . 1 1 9 9 PRO C C 13 175.8 0.1 . 1 . . . . . 9 . . . 6182 1 40 . 1 1 10 10 GLU N N 15 120.9 0.2 . 1 . . . . . 10 . . . 6182 1 41 . 1 1 10 10 GLU H H 1 8.31 0.01 . 1 . . . . . 10 . . . 6182 1 42 . 1 1 10 10 GLU CA C 13 56.2 0.1 . 1 . . . . . 10 . . . 6182 1 43 . 1 1 10 10 GLU CB C 13 29.5 0.1 . 1 . . . . . 10 . . . 6182 1 44 . 1 1 10 10 GLU C C 13 176.1 0.1 . 1 . . . . . 10 . . . 6182 1 45 . 1 1 11 11 VAL N N 15 120.1 0.2 . 1 . . . . . 11 . . . 6182 1 46 . 1 1 11 11 VAL H H 1 8.07 0.01 . 1 . . . . . 11 . . . 6182 1 47 . 1 1 11 11 VAL CA C 13 59.7 0.1 . 1 . . . . . 11 . . . 6182 1 48 . 1 1 11 11 VAL CB C 13 34.5 0.1 . 1 . . . . . 11 . . . 6182 1 49 . 1 1 11 11 VAL C C 13 174.2 0.1 . 1 . . . . . 11 . . . 6182 1 50 . 1 1 12 12 LYS N N 15 125.4 0.2 . 1 . . . . . 12 . . . 6182 1 51 . 1 1 12 12 LYS H H 1 8.51 0.01 . 1 . . . . . 12 . . . 6182 1 52 . 1 1 12 12 LYS CA C 13 52.2 0.1 . 1 . . . . . 12 . . . 6182 1 53 . 1 1 12 12 LYS CB C 13 33.2 0.1 . 1 . . . . . 12 . . . 6182 1 54 . 1 1 13 13 PRO CA C 13 61.4 0.1 . 1 . . . . . 13 . . . 6182 1 55 . 1 1 13 13 PRO CB C 13 33.4 0.1 . 1 . . . . . 13 . . . 6182 1 56 . 1 1 13 13 PRO C C 13 176.9 0.1 . 1 . . . . . 13 . . . 6182 1 57 . 1 1 14 14 VAL N N 15 110.9 0.2 . 1 . . . . . 14 . . . 6182 1 58 . 1 1 14 14 VAL H H 1 7.86 0.01 . 1 . . . . . 14 . . . 6182 1 59 . 1 1 14 14 VAL CA C 13 62.1 0.1 . 1 . . . . . 14 . . . 6182 1 60 . 1 1 14 14 VAL CB C 13 32.2 0.1 . 1 . . . . . 14 . . . 6182 1 61 . 1 1 14 14 VAL C C 13 174.9 0.1 . 1 . . . . . 14 . . . 6182 1 62 . 1 1 15 15 ASP N N 15 117.3 0.2 . 1 . . . . . 15 . . . 6182 1 63 . 1 1 15 15 ASP H H 1 8.16 0.01 . 1 . . . . . 15 . . . 6182 1 64 . 1 1 15 15 ASP CA C 13 52.8 0.1 . 1 . . . . . 15 . . . 6182 1 65 . 1 1 15 15 ASP CB C 13 41.3 0.1 . 1 . . . . . 15 . . . 6182 1 66 . 1 1 15 15 ASP C C 13 175.8 0.1 . 1 . . . . . 15 . . . 6182 1 67 . 1 1 16 16 ASN N N 15 119.1 0.2 . 1 . . . . . 16 . . . 6182 1 68 . 1 1 16 16 ASN H H 1 7.82 0.01 . 1 . . . . . 16 . . . 6182 1 69 . 1 1 16 16 ASN CA C 13 51.5 0.1 . 1 . . . . . 16 . . . 6182 1 70 . 1 1 16 16 ASN CB C 13 38.5 0.1 . 1 . . . . . 16 . . . 6182 1 71 . 1 1 16 16 ASN C C 13 176.3 0.1 . 1 . . . . . 16 . . . 6182 1 72 . 1 1 17 17 PHE N N 15 125.8 0.2 . 1 . . . . . 17 . . . 6182 1 73 . 1 1 17 17 PHE H H 1 9.90 0.01 . 1 . . . . . 17 . . . 6182 1 74 . 1 1 17 17 PHE CA C 13 59.8 0.1 . 1 . . . . . 17 . . . 6182 1 75 . 1 1 17 17 PHE CB C 13 38.5 0.1 . 1 . . . . . 17 . . . 6182 1 76 . 1 1 17 17 PHE C C 13 174.8 0.1 . 1 . . . . . 17 . . . 6182 1 77 . 1 1 18 18 ASP N N 15 125.4 0.2 . 1 . . . . . 18 . . . 6182 1 78 . 1 1 18 18 ASP H H 1 7.44 0.01 . 1 . . . . . 18 . . . 6182 1 79 . 1 1 18 18 ASP CA C 13 51.3 0.1 . 1 . . . . . 18 . . . 6182 1 80 . 1 1 18 18 ASP CB C 13 39.8 0.1 . 1 . . . . . 18 . . . 6182 1 81 . 1 1 18 18 ASP C C 13 174.9 0.1 . 1 . . . . . 18 . . . 6182 1 82 . 1 1 19 19 TRP N N 15 125.8 0.2 . 1 . . . . . 19 . . . 6182 1 83 . 1 1 19 19 TRP H H 1 8.63 0.01 . 1 . . . . . 19 . . . 6182 1 84 . 1 1 19 19 TRP CA C 13 59.9 0.1 . 1 . . . . . 19 . . . 6182 1 85 . 1 1 19 19 TRP CB C 13 29.6 0.1 . 1 . . . . . 19 . . . 6182 1 86 . 1 1 19 19 TRP NE1 N 15 129.5 0.2 . 1 . . . . . 19 . . . 6182 1 87 . 1 1 19 19 TRP HE1 H 1 9.92 0.01 . 1 . . . . . 19 . . . 6182 1 88 . 1 1 19 19 TRP C C 13 177.1 0.1 . 1 . . . . . 19 . . . 6182 1 89 . 1 1 20 20 SER N N 15 112.7 0.2 . 1 . . . . . 20 . . . 6182 1 90 . 1 1 20 20 SER H H 1 8.14 0.01 . 1 . . . . . 20 . . . 6182 1 91 . 1 1 20 20 SER CA C 13 61.0 0.1 . 1 . . . . . 20 . . . 6182 1 92 . 1 1 20 20 SER CB C 13 62.7 0.1 . 1 . . . . . 20 . . . 6182 1 93 . 1 1 20 20 SER C C 13 175.6 0.1 . 1 . . . . . 20 . . . 6182 1 94 . 1 1 21 21 GLN N N 15 119.0 0.2 . 1 . . . . . 21 . . . 6182 1 95 . 1 1 21 21 GLN H H 1 7.58 0.01 . 1 . . . . . 21 . . . 6182 1 96 . 1 1 21 21 GLN CA C 13 55.5 0.1 . 1 . . . . . 21 . . . 6182 1 97 . 1 1 21 21 GLN CB C 13 27.9 0.1 . 1 . . . . . 21 . . . 6182 1 98 . 1 1 21 21 GLN C C 13 175.6 0.1 . 1 . . . . . 21 . . . 6182 1 99 . 1 1 22 22 TYR N N 15 123.0 0.2 . 1 . . . . . 22 . . . 6182 1 100 . 1 1 22 22 TYR H H 1 7.13 0.01 . 1 . . . . . 22 . . . 6182 1 101 . 1 1 22 22 TYR CA C 13 53.2 0.1 . 1 . . . . . 22 . . . 6182 1 102 . 1 1 22 22 TYR CB C 13 35.8 0.1 . 1 . . . . . 22 . . . 6182 1 103 . 1 1 22 22 TYR C C 13 173.0 0.1 . 1 . . . . . 22 . . . 6182 1 104 . 1 1 23 23 HIS N N 15 116.8 0.2 . 1 . . . . . 23 . . . 6182 1 105 . 1 1 23 23 HIS H H 1 8.14 0.01 . 1 . . . . . 23 . . . 6182 1 106 . 1 1 23 23 HIS CA C 13 56.0 0.1 . 1 . . . . . 23 . . . 6182 1 107 . 1 1 23 23 HIS CB C 13 32.4 0.1 . 1 . . . . . 23 . . . 6182 1 108 . 1 1 23 23 HIS C C 13 175.4 0.1 . 1 . . . . . 23 . . . 6182 1 109 . 1 1 24 24 GLY N N 15 112.7 0.2 . 1 . . . . . 24 . . . 6182 1 110 . 1 1 24 24 GLY H H 1 8.83 0.01 . 1 . . . . . 24 . . . 6182 1 111 . 1 1 24 24 GLY CA C 13 45.9 0.1 . 1 . . . . . 24 . . . 6182 1 112 . 1 1 24 24 GLY C C 13 172.1 0.1 . 1 . . . . . 24 . . . 6182 1 113 . 1 1 25 25 LYS N N 15 121.4 0.2 . 1 . . . . . 25 . . . 6182 1 114 . 1 1 25 25 LYS H H 1 8.41 0.01 . 1 . . . . . 25 . . . 6182 1 115 . 1 1 25 25 LYS CA C 13 56.2 0.1 . 1 . . . . . 25 . . . 6182 1 116 . 1 1 25 25 LYS CB C 13 34.6 0.1 . 1 . . . . . 25 . . . 6182 1 117 . 1 1 26 26 TRP NE1 N 15 127.0 0.2 . 1 . . . . . 26 . . . 6182 1 118 . 1 1 26 26 TRP HE1 H 1 9.11 0.01 . 1 . . . . . 26 . . . 6182 1 119 . 1 1 27 27 TRP N N 15 122.9 0.2 . 1 . . . . . 27 . . . 6182 1 120 . 1 1 27 27 TRP H H 1 5.24 0.01 . 1 . . . . . 27 . . . 6182 1 121 . 1 1 27 27 TRP CA C 13 57.1 0.1 . 1 . . . . . 27 . . . 6182 1 122 . 1 1 27 27 TRP C C 13 176.7 0.1 . 1 . . . . . 27 . . . 6182 1 123 . 1 1 28 28 GLU N N 15 126.3 0.2 . 1 . . . . . 28 . . . 6182 1 124 . 1 1 28 28 GLU H H 1 9.47 0.01 . 1 . . . . . 28 . . . 6182 1 125 . 1 1 28 28 GLU CA C 13 55.6 0.1 . 1 . . . . . 28 . . . 6182 1 126 . 1 1 28 28 GLU CB C 13 29.5 0.1 . 1 . . . . . 28 . . . 6182 1 127 . 1 1 28 28 GLU C C 13 174.8 0.1 . 1 . . . . . 28 . . . 6182 1 128 . 1 1 29 29 VAL N N 15 121.4 0.2 . 1 . . . . . 29 . . . 6182 1 129 . 1 1 29 29 VAL H H 1 8.60 0.01 . 1 . . . . . 29 . . . 6182 1 130 . 1 1 29 29 VAL CA C 13 64.0 0.1 . 1 . . . . . 29 . . . 6182 1 131 . 1 1 29 29 VAL CB C 13 32.4 0.1 . 1 . . . . . 29 . . . 6182 1 132 . 1 1 29 29 VAL C C 13 175.8 0.1 . 1 . . . . . 29 . . . 6182 1 133 . 1 1 30 30 ALA N N 15 119.7 0.2 . 1 . . . . . 30 . . . 6182 1 134 . 1 1 30 30 ALA H H 1 8.09 0.01 . 1 . . . . . 30 . . . 6182 1 135 . 1 1 30 30 ALA CA C 13 51.2 0.1 . 1 . . . . . 30 . . . 6182 1 136 . 1 1 30 30 ALA CB C 13 21.8 0.1 . 1 . . . . . 30 . . . 6182 1 137 . 1 1 30 30 ALA C C 13 174.6 0.1 . 1 . . . . . 30 . . . 6182 1 138 . 1 1 31 31 LYS N N 15 112.2 0.2 . 1 . . . . . 31 . . . 6182 1 139 . 1 1 31 31 LYS H H 1 8.03 0.01 . 1 . . . . . 31 . . . 6182 1 140 . 1 1 31 31 LYS CA C 13 55.8 0.1 . 1 . . . . . 31 . . . 6182 1 141 . 1 1 31 31 LYS CB C 13 34.1 0.1 . 1 . . . . . 31 . . . 6182 1 142 . 1 1 31 31 LYS C C 13 176.5 0.1 . 1 . . . . . 31 . . . 6182 1 143 . 1 1 32 32 TYR N N 15 117.8 0.2 . 1 . . . . . 32 . . . 6182 1 144 . 1 1 32 32 TYR H H 1 7.30 0.01 . 1 . . . . . 32 . . . 6182 1 145 . 1 1 32 32 TYR CA C 13 52.7 0.1 . 1 . . . . . 32 . . . 6182 1 146 . 1 1 32 32 TYR CB C 13 36.3 0.1 . 1 . . . . . 32 . . . 6182 1 147 . 1 1 33 33 PRO CA C 13 61.7 0.1 . 1 . . . . . 33 . . . 6182 1 148 . 1 1 33 33 PRO CB C 13 32.6 0.1 . 1 . . . . . 33 . . . 6182 1 149 . 1 1 33 33 PRO C C 13 174.2 0.1 . 1 . . . . . 33 . . . 6182 1 150 . 1 1 34 34 SER N N 15 112.3 0.2 . 1 . . . . . 34 . . . 6182 1 151 . 1 1 34 34 SER H H 1 6.41 0.01 . 1 . . . . . 34 . . . 6182 1 152 . 1 1 34 34 SER CA C 13 57.2 0.1 . 1 . . . . . 34 . . . 6182 1 153 . 1 1 34 34 SER CB C 13 64.9 0.1 . 1 . . . . . 34 . . . 6182 1 154 . 1 1 35 35 PRO CA C 13 64.0 0.1 . 1 . . . . . 35 . . . 6182 1 155 . 1 1 35 35 PRO C C 13 176.8 0.1 . 1 . . . . . 35 . . . 6182 1 156 . 1 1 36 36 ASN N N 15 115.6 0.2 . 1 . . . . . 36 . . . 6182 1 157 . 1 1 36 36 ASN H H 1 8.89 0.01 . 1 . . . . . 36 . . . 6182 1 158 . 1 1 36 36 ASN CA C 13 53.8 0.1 . 1 . . . . . 36 . . . 6182 1 159 . 1 1 36 36 ASN CB C 13 37.7 0.1 . 1 . . . . . 36 . . . 6182 1 160 . 1 1 36 36 ASN C C 13 175.5 0.1 . 1 . . . . . 36 . . . 6182 1 161 . 1 1 37 37 GLY N N 15 105.2 0.2 . 1 . . . . . 37 . . . 6182 1 162 . 1 1 37 37 GLY H H 1 8.63 0.01 . 1 . . . . . 37 . . . 6182 1 163 . 1 1 37 37 GLY CA C 13 46.1 0.1 . 1 . . . . . 37 . . . 6182 1 164 . 1 1 37 37 GLY C C 13 175.1 0.1 . 1 . . . . . 37 . . . 6182 1 165 . 1 1 38 38 LYS N N 15 121.8 0.2 . 1 . . . . . 38 . . . 6182 1 166 . 1 1 38 38 LYS H H 1 7.40 0.01 . 1 . . . . . 38 . . . 6182 1 167 . 1 1 38 38 LYS CA C 13 55.1 0.1 . 1 . . . . . 38 . . . 6182 1 168 . 1 1 38 38 LYS CB C 13 30.4 0.1 . 1 . . . . . 38 . . . 6182 1 169 . 1 1 38 38 LYS C C 13 173.8 0.1 . 1 . . . . . 38 . . . 6182 1 170 . 1 1 39 39 TYR N N 15 117.5 0.2 . 1 . . . . . 39 . . . 6182 1 171 . 1 1 39 39 TYR H H 1 7.95 0.01 . 1 . . . . . 39 . . . 6182 1 172 . 1 1 39 39 TYR CA C 13 56.3 0.1 . 1 . . . . . 39 . . . 6182 1 173 . 1 1 39 39 TYR CB C 13 39.8 0.1 . 1 . . . . . 39 . . . 6182 1 174 . 1 1 39 39 TYR C C 13 173.1 0.1 . 1 . . . . . 39 . . . 6182 1 175 . 1 1 40 40 GLY N N 15 110.9 0.2 . 1 . . . . . 40 . . . 6182 1 176 . 1 1 40 40 GLY H H 1 9.13 0.01 . 1 . . . . . 40 . . . 6182 1 177 . 1 1 40 40 GLY CA C 13 44.2 0.1 . 1 . . . . . 40 . . . 6182 1 178 . 1 1 40 40 GLY C C 13 174.0 0.1 . 1 . . . . . 40 . . . 6182 1 179 . 1 1 41 41 LYS N N 15 119.1 0.2 . 1 . . . . . 41 . . . 6182 1 180 . 1 1 41 41 LYS H H 1 8.23 0.01 . 1 . . . . . 41 . . . 6182 1 181 . 1 1 41 41 LYS CA C 13 54.6 0.1 . 1 . . . . . 41 . . . 6182 1 182 . 1 1 41 41 LYS CB C 13 34.9 0.1 . 1 . . . . . 41 . . . 6182 1 183 . 1 1 41 41 LYS C C 13 174.4 0.1 . 1 . . . . . 41 . . . 6182 1 184 . 1 1 42 42 CYS N N 15 121.8 0.2 . 1 . . . . . 42 . . . 6182 1 185 . 1 1 42 42 CYS H H 1 9.48 0.01 . 1 . . . . . 42 . . . 6182 1 186 . 1 1 42 42 CYS CA C 13 57.9 0.1 . 1 . . . . . 42 . . . 6182 1 187 . 1 1 42 42 CYS C C 13 171.6 0.1 . 1 . . . . . 42 . . . 6182 1 188 . 1 1 43 43 GLY N N 15 112.2 0.2 . 1 . . . . . 43 . . . 6182 1 189 . 1 1 43 43 GLY H H 1 8.76 0.01 . 1 . . . . . 43 . . . 6182 1 190 . 1 1 43 43 GLY CA C 13 46.3 0.1 . 1 . . . . . 43 . . . 6182 1 191 . 1 1 43 43 GLY C C 13 173.6 0.1 . 1 . . . . . 43 . . . 6182 1 192 . 1 1 44 44 TRP N N 15 115.5 0.2 . 1 . . . . . 44 . . . 6182 1 193 . 1 1 44 44 TRP H H 1 8.55 0.01 . 1 . . . . . 44 . . . 6182 1 194 . 1 1 44 44 TRP CA C 13 56.8 0.1 . 1 . . . . . 44 . . . 6182 1 195 . 1 1 44 44 TRP CB C 13 31.3 0.1 . 1 . . . . . 44 . . . 6182 1 196 . 1 1 44 44 TRP NE1 N 15 131.1 0.2 . 1 . . . . . 44 . . . 6182 1 197 . 1 1 44 44 TRP HE1 H 1 9.82 0.01 . 1 . . . . . 44 . . . 6182 1 198 . 1 1 44 44 TRP C C 13 172.4 0.1 . 1 . . . . . 44 . . . 6182 1 199 . 1 1 45 45 ALA N N 15 120.9 0.2 . 1 . . . . . 45 . . . 6182 1 200 . 1 1 45 45 ALA H H 1 9.63 0.01 . 1 . . . . . 45 . . . 6182 1 201 . 1 1 45 45 ALA CA C 13 50.5 0.1 . 1 . . . . . 45 . . . 6182 1 202 . 1 1 45 45 ALA CB C 13 22.5 0.1 . 1 . . . . . 45 . . . 6182 1 203 . 1 1 45 45 ALA C C 13 174.8 0.1 . 1 . . . . . 45 . . . 6182 1 204 . 1 1 46 46 GLU N N 15 120.0 0.2 . 1 . . . . . 46 . . . 6182 1 205 . 1 1 46 46 GLU H H 1 8.84 0.01 . 1 . . . . . 46 . . . 6182 1 206 . 1 1 46 46 GLU CA C 13 54.6 0.1 . 1 . . . . . 46 . . . 6182 1 207 . 1 1 46 46 GLU CB C 13 33.2 0.1 . 1 . . . . . 46 . . . 6182 1 208 . 1 1 46 46 GLU C C 13 175.6 0.1 . 1 . . . . . 46 . . . 6182 1 209 . 1 1 47 47 TYR N N 15 124.5 0.2 . 1 . . . . . 47 . . . 6182 1 210 . 1 1 47 47 TYR H H 1 8.69 0.01 . 1 . . . . . 47 . . . 6182 1 211 . 1 1 47 47 TYR CA C 13 56.3 0.1 . 1 . . . . . 47 . . . 6182 1 212 . 1 1 47 47 TYR CB C 13 41.2 0.1 . 1 . . . . . 47 . . . 6182 1 213 . 1 1 47 47 TYR C C 13 177.2 0.1 . 1 . . . . . 47 . . . 6182 1 214 . 1 1 48 48 THR N N 15 120.0 0.2 . 1 . . . . . 48 . . . 6182 1 215 . 1 1 48 48 THR H H 1 9.03 0.01 . 1 . . . . . 48 . . . 6182 1 216 . 1 1 48 48 THR CA C 13 59.4 0.1 . 1 . . . . . 48 . . . 6182 1 217 . 1 1 48 48 THR CB C 13 71.0 0.1 . 1 . . . . . 48 . . . 6182 1 218 . 1 1 49 49 PRO CA C 13 63.9 0.1 . 1 . . . . . 49 . . . 6182 1 219 . 1 1 49 49 PRO CB C 13 32.9 0.1 . 1 . . . . . 49 . . . 6182 1 220 . 1 1 49 49 PRO C C 13 176.0 0.1 . 1 . . . . . 49 . . . 6182 1 221 . 1 1 50 50 GLU N N 15 124.9 0.2 . 1 . . . . . 50 . . . 6182 1 222 . 1 1 50 50 GLU H H 1 8.66 0.01 . 1 . . . . . 50 . . . 6182 1 223 . 1 1 50 50 GLU CA C 13 55.6 0.1 . 1 . . . . . 50 . . . 6182 1 224 . 1 1 50 50 GLU CB C 13 31.0 0.1 . 1 . . . . . 50 . . . 6182 1 225 . 1 1 50 50 GLU C C 13 175.8 0.1 . 1 . . . . . 50 . . . 6182 1 226 . 1 1 51 51 GLY N N 15 114.8 0.2 . 1 . . . . . 51 . . . 6182 1 227 . 1 1 51 51 GLY H H 1 8.80 0.01 . 1 . . . . . 51 . . . 6182 1 228 . 1 1 51 51 GLY CA C 13 46.9 0.1 . 1 . . . . . 51 . . . 6182 1 229 . 1 1 51 51 GLY C C 13 175.3 0.1 . 1 . . . . . 51 . . . 6182 1 230 . 1 1 52 52 LYS N N 15 127.6 0.2 . 1 . . . . . 52 . . . 6182 1 231 . 1 1 52 52 LYS H H 1 8.98 0.01 . 1 . . . . . 52 . . . 6182 1 232 . 1 1 52 52 LYS CA C 13 56.9 0.1 . 1 . . . . . 52 . . . 6182 1 233 . 1 1 52 52 LYS CB C 13 32.5 0.1 . 1 . . . . . 52 . . . 6182 1 234 . 1 1 52 52 LYS C C 13 175.6 0.1 . 1 . . . . . 52 . . . 6182 1 235 . 1 1 53 53 SER N N 15 112.3 0.2 . 1 . . . . . 53 . . . 6182 1 236 . 1 1 53 53 SER H H 1 7.94 0.01 . 1 . . . . . 53 . . . 6182 1 237 . 1 1 53 53 SER CA C 13 56.9 0.1 . 1 . . . . . 53 . . . 6182 1 238 . 1 1 53 53 SER CB C 13 66.4 0.1 . 1 . . . . . 53 . . . 6182 1 239 . 1 1 53 53 SER C C 13 173.9 0.1 . 1 . . . . . 53 . . . 6182 1 240 . 1 1 54 54 VAL N N 15 119.1 0.2 . 1 . . . . . 54 . . . 6182 1 241 . 1 1 54 54 VAL H H 1 9.61 0.01 . 1 . . . . . 54 . . . 6182 1 242 . 1 1 54 54 VAL CA C 13 61.1 0.1 . 1 . . . . . 54 . . . 6182 1 243 . 1 1 54 54 VAL CB C 13 36.1 0.1 . 1 . . . . . 54 . . . 6182 1 244 . 1 1 54 54 VAL C C 13 174.4 0.1 . 1 . . . . . 54 . . . 6182 1 245 . 1 1 55 55 LYS N N 15 126.7 0.2 . 1 . . . . . 55 . . . 6182 1 246 . 1 1 55 55 LYS H H 1 8.92 0.01 . 1 . . . . . 55 . . . 6182 1 247 . 1 1 55 55 LYS CA C 13 56.3 0.1 . 1 . . . . . 55 . . . 6182 1 248 . 1 1 55 55 LYS CB C 13 32.7 0.1 . 1 . . . . . 55 . . . 6182 1 249 . 1 1 55 55 LYS C C 13 175.3 0.1 . 1 . . . . . 55 . . . 6182 1 250 . 1 1 56 56 VAL N N 15 127.2 0.2 . 1 . . . . . 56 . . . 6182 1 251 . 1 1 56 56 VAL H H 1 9.00 0.01 . 1 . . . . . 56 . . . 6182 1 252 . 1 1 56 56 VAL CA C 13 60.9 0.1 . 1 . . . . . 56 . . . 6182 1 253 . 1 1 56 56 VAL CB C 13 33.2 0.1 . 1 . . . . . 56 . . . 6182 1 254 . 1 1 56 56 VAL C C 13 174.7 0.1 . 1 . . . . . 56 . . . 6182 1 255 . 1 1 57 57 SER N N 15 123.6 0.2 . 1 . . . . . 57 . . . 6182 1 256 . 1 1 57 57 SER H H 1 8.45 0.01 . 1 . . . . . 57 . . . 6182 1 257 . 1 1 57 57 SER CA C 13 56.8 0.1 . 1 . . . . . 57 . . . 6182 1 258 . 1 1 57 57 SER CB C 13 63.6 0.1 . 1 . . . . . 57 . . . 6182 1 259 . 1 1 57 57 SER C C 13 172.8 0.1 . 1 . . . . . 57 . . . 6182 1 260 . 1 1 58 58 ARG N N 15 125.4 0.2 . 1 . . . . . 58 . . . 6182 1 261 . 1 1 58 58 ARG H H 1 8.56 0.01 . 1 . . . . . 58 . . . 6182 1 262 . 1 1 58 58 ARG CA C 13 54.7 0.1 . 1 . . . . . 58 . . . 6182 1 263 . 1 1 58 58 ARG C C 13 172.9 0.1 . 1 . . . . . 58 . . . 6182 1 264 . 1 1 59 59 TYR N N 15 125.4 0.2 . 1 . . . . . 59 . . . 6182 1 265 . 1 1 59 59 TYR H H 1 8.36 0.01 . 1 . . . . . 59 . . . 6182 1 266 . 1 1 59 59 TYR CA C 13 55.6 0.1 . 1 . . . . . 59 . . . 6182 1 267 . 1 1 59 59 TYR C C 13 174.5 0.1 . 1 . . . . . 59 . . . 6182 1 268 . 1 1 60 60 ASP N N 15 123.2 0.2 . 1 . . . . . 60 . . . 6182 1 269 . 1 1 60 60 ASP H H 1 7.99 0.01 . 1 . . . . . 60 . . . 6182 1 270 . 1 1 60 60 ASP CA C 13 53.1 0.1 . 1 . . . . . 60 . . . 6182 1 271 . 1 1 60 60 ASP C C 13 174.6 0.1 . 1 . . . . . 60 . . . 6182 1 272 . 1 1 61 61 VAL N N 15 121.3 0.2 . 1 . . . . . 61 . . . 6182 1 273 . 1 1 61 61 VAL H H 1 8.43 0.01 . 1 . . . . . 61 . . . 6182 1 274 . 1 1 61 61 VAL CA C 13 61.9 0.1 . 1 . . . . . 61 . . . 6182 1 275 . 1 1 61 61 VAL CB C 13 33.4 0.1 . 1 . . . . . 61 . . . 6182 1 276 . 1 1 61 61 VAL C C 13 177.1 0.1 . 1 . . . . . 61 . . . 6182 1 277 . 1 1 62 62 ILE N N 15 128.1 0.2 . 1 . . . . . 62 . . . 6182 1 278 . 1 1 62 62 ILE H H 1 9.26 0.01 . 1 . . . . . 62 . . . 6182 1 279 . 1 1 62 62 ILE CA C 13 61.1 0.1 . 1 . . . . . 62 . . . 6182 1 280 . 1 1 62 62 ILE CB C 13 39.8 0.1 . 1 . . . . . 62 . . . 6182 1 281 . 1 1 62 62 ILE C C 13 176.0 0.1 . 1 . . . . . 62 . . . 6182 1 282 . 1 1 63 63 HIS N N 15 129.0 0.2 . 1 . . . . . 63 . . . 6182 1 283 . 1 1 63 63 HIS H H 1 9.82 0.01 . 1 . . . . . 63 . . . 6182 1 284 . 1 1 63 63 HIS CA C 13 56.2 0.1 . 1 . . . . . 63 . . . 6182 1 285 . 1 1 63 63 HIS CB C 13 28.2 0.1 . 1 . . . . . 63 . . . 6182 1 286 . 1 1 63 63 HIS C C 13 175.6 0.1 . 1 . . . . . 63 . . . 6182 1 287 . 1 1 64 64 GLY N N 15 102.9 0.2 . 1 . . . . . 64 . . . 6182 1 288 . 1 1 64 64 GLY H H 1 8.37 0.01 . 1 . . . . . 64 . . . 6182 1 289 . 1 1 64 64 GLY CA C 13 45.5 0.1 . 1 . . . . . 64 . . . 6182 1 290 . 1 1 64 64 GLY C C 13 172.8 0.1 . 1 . . . . . 64 . . . 6182 1 291 . 1 1 65 65 LYS N N 15 120.5 0.2 . 1 . . . . . 65 . . . 6182 1 292 . 1 1 65 65 LYS H H 1 7.79 0.01 . 1 . . . . . 65 . . . 6182 1 293 . 1 1 65 65 LYS CA C 13 54.3 0.1 . 1 . . . . . 65 . . . 6182 1 294 . 1 1 65 65 LYS CB C 13 35.1 0.1 . 1 . . . . . 65 . . . 6182 1 295 . 1 1 65 65 LYS C C 13 174.3 0.1 . 1 . . . . . 65 . . . 6182 1 296 . 1 1 66 66 GLU N N 15 122.2 0.2 . 1 . . . . . 66 . . . 6182 1 297 . 1 1 66 66 GLU H H 1 8.58 0.01 . 1 . . . . . 66 . . . 6182 1 298 . 1 1 66 66 GLU CA C 13 56.3 0.1 . 1 . . . . . 66 . . . 6182 1 299 . 1 1 66 66 GLU CB C 13 31.7 0.1 . 1 . . . . . 66 . . . 6182 1 300 . 1 1 66 66 GLU C C 13 175.0 0.1 . 1 . . . . . 66 . . . 6182 1 301 . 1 1 67 67 TYR N N 15 124.0 0.2 . 1 . . . . . 67 . . . 6182 1 302 . 1 1 67 67 TYR H H 1 8.71 0.01 . 1 . . . . . 67 . . . 6182 1 303 . 1 1 67 67 TYR CA C 13 57.7 0.1 . 1 . . . . . 67 . . . 6182 1 304 . 1 1 67 67 TYR CB C 13 40.6 0.1 . 1 . . . . . 67 . . . 6182 1 305 . 1 1 67 67 TYR C C 13 173.0 0.1 . 1 . . . . . 67 . . . 6182 1 306 . 1 1 68 68 PHE N N 15 120.8 0.2 . 1 . . . . . 68 . . . 6182 1 307 . 1 1 68 68 PHE H H 1 8.20 0.01 . 1 . . . . . 68 . . . 6182 1 308 . 1 1 68 68 PHE CA C 13 55.8 0.1 . 1 . . . . . 68 . . . 6182 1 309 . 1 1 68 68 PHE CB C 13 41.7 0.1 . 1 . . . . . 68 . . . 6182 1 310 . 1 1 69 69 MET CA C 13 55.8 0.1 . 1 . . . . . 69 . . . 6182 1 311 . 1 1 69 69 MET C C 13 175.1 0.1 . 1 . . . . . 69 . . . 6182 1 312 . 1 1 70 70 GLU N N 15 125.8 0.2 . 1 . . . . . 70 . . . 6182 1 313 . 1 1 70 70 GLU H H 1 8.81 0.01 . 1 . . . . . 70 . . . 6182 1 314 . 1 1 70 70 GLU CA C 13 54.4 0.1 . 1 . . . . . 70 . . . 6182 1 315 . 1 1 70 70 GLU CB C 13 33.2 0.1 . 1 . . . . . 70 . . . 6182 1 316 . 1 1 70 70 GLU C C 13 175.8 0.1 . 1 . . . . . 70 . . . 6182 1 317 . 1 1 71 71 GLY N N 15 109.6 0.2 . 1 . . . . . 71 . . . 6182 1 318 . 1 1 71 71 GLY H H 1 8.34 0.01 . 1 . . . . . 71 . . . 6182 1 319 . 1 1 71 71 GLY CA C 13 45.1 0.1 . 1 . . . . . 71 . . . 6182 1 320 . 1 1 71 71 GLY C C 13 171.7 0.1 . 1 . . . . . 71 . . . 6182 1 321 . 1 1 72 72 THR N N 15 115.9 0.2 . 1 . . . . . 72 . . . 6182 1 322 . 1 1 72 72 THR H H 1 8.79 0.01 . 1 . . . . . 72 . . . 6182 1 323 . 1 1 72 72 THR CA C 13 61.4 0.1 . 1 . . . . . 72 . . . 6182 1 324 . 1 1 72 72 THR CB C 13 71.8 0.1 . 1 . . . . . 72 . . . 6182 1 325 . 1 1 72 72 THR C C 13 172.3 0.1 . 1 . . . . . 72 . . . 6182 1 326 . 1 1 73 73 ALA N N 15 127.2 0.2 . 1 . . . . . 73 . . . 6182 1 327 . 1 1 73 73 ALA H H 1 9.85 0.01 . 1 . . . . . 73 . . . 6182 1 328 . 1 1 73 73 ALA CA C 13 50.2 0.1 . 1 . . . . . 73 . . . 6182 1 329 . 1 1 73 73 ALA CB C 13 22.8 0.1 . 1 . . . . . 73 . . . 6182 1 330 . 1 1 73 73 ALA C C 13 177.0 0.1 . 1 . . . . . 73 . . . 6182 1 331 . 1 1 74 74 TYR N N 15 117.2 0.2 . 1 . . . . . 74 . . . 6182 1 332 . 1 1 74 74 TYR H H 1 8.45 0.01 . 1 . . . . . 74 . . . 6182 1 333 . 1 1 74 74 TYR CA C 13 55.3 0.1 . 1 . . . . . 74 . . . 6182 1 334 . 1 1 74 74 TYR CB C 13 37.5 0.1 . 1 . . . . . 74 . . . 6182 1 335 . 1 1 75 75 PRO CA C 13 63.5 0.1 . 1 . . . . . 75 . . . 6182 1 336 . 1 1 75 75 PRO CB C 13 31.6 0.1 . 1 . . . . . 75 . . . 6182 1 337 . 1 1 75 75 PRO C C 13 176.2 0.1 . 1 . . . . . 75 . . . 6182 1 338 . 1 1 76 76 VAL N N 15 120.9 0.2 . 1 . . . . . 76 . . . 6182 1 339 . 1 1 76 76 VAL H H 1 7.76 0.01 . 1 . . . . . 76 . . . 6182 1 340 . 1 1 76 76 VAL CA C 13 65.0 0.1 . 1 . . . . . 76 . . . 6182 1 341 . 1 1 76 76 VAL CB C 13 32.1 0.1 . 1 . . . . . 76 . . . 6182 1 342 . 1 1 76 76 VAL C C 13 177.1 0.1 . 1 . . . . . 76 . . . 6182 1 343 . 1 1 77 77 GLY N N 15 108.7 0.2 . 1 . . . . . 77 . . . 6182 1 344 . 1 1 77 77 GLY H H 1 8.44 0.01 . 1 . . . . . 77 . . . 6182 1 345 . 1 1 77 77 GLY CA C 13 45.1 0.1 . 1 . . . . . 77 . . . 6182 1 346 . 1 1 77 77 GLY C C 13 172.7 0.1 . 1 . . . . . 77 . . . 6182 1 347 . 1 1 78 78 ASP N N 15 130.0 0.2 . 1 . . . . . 78 . . . 6182 1 348 . 1 1 78 78 ASP H H 1 8.68 0.01 . 1 . . . . . 78 . . . 6182 1 349 . 1 1 78 78 ASP CA C 13 55.1 0.1 . 1 . . . . . 78 . . . 6182 1 350 . 1 1 78 78 ASP CB C 13 42.5 0.1 . 1 . . . . . 78 . . . 6182 1 351 . 1 1 78 78 ASP C C 13 178.9 0.1 . 1 . . . . . 78 . . . 6182 1 352 . 1 1 79 79 SER N N 15 124.1 0.2 . 1 . . . . . 79 . . . 6182 1 353 . 1 1 79 79 SER H H 1 8.80 0.01 . 1 . . . . . 79 . . . 6182 1 354 . 1 1 79 79 SER CA C 13 61.0 0.1 . 1 . . . . . 79 . . . 6182 1 355 . 1 1 79 79 SER CB C 13 63.1 0.1 . 1 . . . . . 79 . . . 6182 1 356 . 1 1 79 79 SER C C 13 174.3 0.1 . 1 . . . . . 79 . . . 6182 1 357 . 1 1 80 80 LYS N N 15 118.6 0.2 . 1 . . . . . 80 . . . 6182 1 358 . 1 1 80 80 LYS H H 1 8.27 0.01 . 1 . . . . . 80 . . . 6182 1 359 . 1 1 80 80 LYS CA C 13 57.0 0.1 . 1 . . . . . 80 . . . 6182 1 360 . 1 1 80 80 LYS CB C 13 32.6 0.1 . 1 . . . . . 80 . . . 6182 1 361 . 1 1 80 80 LYS C C 13 177.6 0.1 . 1 . . . . . 80 . . . 6182 1 362 . 1 1 81 81 ILE N N 15 116.7 0.2 . 1 . . . . . 81 . . . 6182 1 363 . 1 1 81 81 ILE H H 1 7.59 0.01 . 1 . . . . . 81 . . . 6182 1 364 . 1 1 81 81 ILE CA C 13 58.6 0.1 . 1 . . . . . 81 . . . 6182 1 365 . 1 1 81 81 ILE CB C 13 36.6 0.1 . 1 . . . . . 81 . . . 6182 1 366 . 1 1 81 81 ILE C C 13 179.2 0.1 . 1 . . . . . 81 . . . 6182 1 367 . 1 1 82 82 GLY N N 15 114.9 0.2 . 1 . . . . . 82 . . . 6182 1 368 . 1 1 82 82 GLY H H 1 9.19 0.01 . 1 . . . . . 82 . . . 6182 1 369 . 1 1 82 82 GLY CA C 13 48.2 0.1 . 1 . . . . . 82 . . . 6182 1 370 . 1 1 82 82 GLY C C 13 172.7 0.1 . 1 . . . . . 82 . . . 6182 1 371 . 1 1 83 83 LYS N N 15 127.2 0.2 . 1 . . . . . 83 . . . 6182 1 372 . 1 1 83 83 LYS H H 1 8.57 0.01 . 1 . . . . . 83 . . . 6182 1 373 . 1 1 83 83 LYS CA C 13 56.0 0.1 . 1 . . . . . 83 . . . 6182 1 374 . 1 1 83 83 LYS CB C 13 34.5 0.1 . 1 . . . . . 83 . . . 6182 1 375 . 1 1 83 83 LYS C C 13 175.0 0.1 . 1 . . . . . 83 . . . 6182 1 376 . 1 1 84 84 ILE N N 15 129.1 0.2 . 1 . . . . . 84 . . . 6182 1 377 . 1 1 84 84 ILE H H 1 8.40 0.01 . 1 . . . . . 84 . . . 6182 1 378 . 1 1 84 84 ILE CA C 13 61.2 0.1 . 1 . . . . . 84 . . . 6182 1 379 . 1 1 84 84 ILE CB C 13 41.7 0.1 . 1 . . . . . 84 . . . 6182 1 380 . 1 1 84 84 ILE C C 13 172.9 0.1 . 1 . . . . . 84 . . . 6182 1 381 . 1 1 85 85 TYR N N 15 122.7 0.2 . 1 . . . . . 85 . . . 6182 1 382 . 1 1 85 85 TYR H H 1 8.97 0.01 . 1 . . . . . 85 . . . 6182 1 383 . 1 1 85 85 TYR CA C 13 57.9 0.1 . 1 . . . . . 85 . . . 6182 1 384 . 1 1 85 85 TYR CB C 13 39.7 0.1 . 1 . . . . . 85 . . . 6182 1 385 . 1 1 85 85 TYR C C 13 175.9 0.1 . 1 . . . . . 85 . . . 6182 1 386 . 1 1 86 86 HIS N N 15 119.9 0.2 . 1 . . . . . 86 . . . 6182 1 387 . 1 1 86 86 HIS H H 1 9.50 0.01 . 1 . . . . . 86 . . . 6182 1 388 . 1 1 86 86 HIS CA C 13 56.4 0.1 . 1 . . . . . 86 . . . 6182 1 389 . 1 1 86 86 HIS CB C 13 34.0 0.1 . 1 . . . . . 86 . . . 6182 1 390 . 1 1 86 86 HIS C C 13 174.4 0.1 . 1 . . . . . 86 . . . 6182 1 391 . 1 1 87 87 SER N N 15 121.3 0.2 . 1 . . . . . 87 . . . 6182 1 392 . 1 1 87 87 SER H H 1 9.00 0.01 . 1 . . . . . 87 . . . 6182 1 393 . 1 1 87 87 SER CA C 13 56.3 0.1 . 1 . . . . . 87 . . . 6182 1 394 . 1 1 87 87 SER CB C 13 65.2 0.1 . 1 . . . . . 87 . . . 6182 1 395 . 1 1 87 87 SER C C 13 172.8 0.1 . 1 . . . . . 87 . . . 6182 1 396 . 1 1 88 88 ARG N N 15 124.0 0.2 . 1 . . . . . 88 . . . 6182 1 397 . 1 1 88 88 ARG H H 1 8.46 0.01 . 1 . . . . . 88 . . . 6182 1 398 . 1 1 88 88 ARG CA C 13 54.8 0.1 . 1 . . . . . 88 . . . 6182 1 399 . 1 1 88 88 ARG CB C 13 34.0 0.1 . 1 . . . . . 88 . . . 6182 1 400 . 1 1 88 88 ARG C C 13 174.6 0.1 . 1 . . . . . 88 . . . 6182 1 401 . 1 1 89 89 THR N N 15 122.4 0.2 . 1 . . . . . 89 . . . 6182 1 402 . 1 1 89 89 THR H H 1 9.02 0.01 . 1 . . . . . 89 . . . 6182 1 403 . 1 1 89 89 THR CA C 13 61.8 0.1 . 1 . . . . . 89 . . . 6182 1 404 . 1 1 89 89 THR CB C 13 69.9 0.1 . 1 . . . . . 89 . . . 6182 1 405 . 1 1 89 89 THR C C 13 173.8 0.1 . 1 . . . . . 89 . . . 6182 1 406 . 1 1 90 90 VAL N N 15 127.1 0.2 . 1 . . . . . 90 . . . 6182 1 407 . 1 1 90 90 VAL H H 1 8.83 0.01 . 1 . . . . . 90 . . . 6182 1 408 . 1 1 90 90 VAL CA C 13 61.4 0.1 . 1 . . . . . 90 . . . 6182 1 409 . 1 1 90 90 VAL CB C 13 34.4 0.1 . 1 . . . . . 90 . . . 6182 1 410 . 1 1 90 90 VAL C C 13 176.8 0.1 . 1 . . . . . 90 . . . 6182 1 411 . 1 1 91 91 GLY N N 15 118.2 0.2 . 1 . . . . . 91 . . . 6182 1 412 . 1 1 91 91 GLY H H 1 9.26 0.01 . 1 . . . . . 91 . . . 6182 1 413 . 1 1 91 91 GLY CA C 13 47.1 0.1 . 1 . . . . . 91 . . . 6182 1 414 . 1 1 91 91 GLY C C 13 175.1 0.1 . 1 . . . . . 91 . . . 6182 1 415 . 1 1 92 92 GLY N N 15 106.0 0.2 . 1 . . . . . 92 . . . 6182 1 416 . 1 1 92 92 GLY H H 1 8.43 0.01 . 1 . . . . . 92 . . . 6182 1 417 . 1 1 92 92 GLY CA C 13 44.8 0.1 . 1 . . . . . 92 . . . 6182 1 418 . 1 1 92 92 GLY C C 13 173.3 0.1 . 1 . . . . . 92 . . . 6182 1 419 . 1 1 93 93 TYR N N 15 120.6 0.2 . 1 . . . . . 93 . . . 6182 1 420 . 1 1 93 93 TYR H H 1 7.83 0.01 . 1 . . . . . 93 . . . 6182 1 421 . 1 1 93 93 TYR CA C 13 56.8 0.1 . 1 . . . . . 93 . . . 6182 1 422 . 1 1 93 93 TYR CB C 13 40.7 0.1 . 1 . . . . . 93 . . . 6182 1 423 . 1 1 93 93 TYR C C 13 174.6 0.1 . 1 . . . . . 93 . . . 6182 1 424 . 1 1 94 94 THR N N 15 121.7 0.2 . 1 . . . . . 94 . . . 6182 1 425 . 1 1 94 94 THR H H 1 8.70 0.01 . 1 . . . . . 94 . . . 6182 1 426 . 1 1 94 94 THR CA C 13 62.5 0.1 . 1 . . . . . 94 . . . 6182 1 427 . 1 1 94 94 THR CB C 13 69.8 0.1 . 1 . . . . . 94 . . . 6182 1 428 . 1 1 94 94 THR C C 13 173.3 0.1 . 1 . . . . . 94 . . . 6182 1 429 . 1 1 95 95 LYS N N 15 128.6 0.2 . 1 . . . . . 95 . . . 6182 1 430 . 1 1 95 95 LYS H H 1 9.06 0.01 . 1 . . . . . 95 . . . 6182 1 431 . 1 1 95 95 LYS CA C 13 55.0 0.1 . 1 . . . . . 95 . . . 6182 1 432 . 1 1 95 95 LYS CB C 13 34.6 0.1 . 1 . . . . . 95 . . . 6182 1 433 . 1 1 95 95 LYS C C 13 174.9 0.1 . 1 . . . . . 95 . . . 6182 1 434 . 1 1 96 96 LYS N N 15 128.6 0.2 . 1 . . . . . 96 . . . 6182 1 435 . 1 1 96 96 LYS H H 1 8.96 0.01 . 1 . . . . . 96 . . . 6182 1 436 . 1 1 96 96 LYS CA C 13 55.1 0.1 . 1 . . . . . 96 . . . 6182 1 437 . 1 1 96 96 LYS CB C 13 34.8 0.1 . 1 . . . . . 96 . . . 6182 1 438 . 1 1 96 96 LYS C C 13 176.1 0.1 . 1 . . . . . 96 . . . 6182 1 439 . 1 1 97 97 THR N N 15 121.3 0.2 . 1 . . . . . 97 . . . 6182 1 440 . 1 1 97 97 THR H H 1 9.90 0.01 . 1 . . . . . 97 . . . 6182 1 441 . 1 1 97 97 THR CA C 13 61.4 0.1 . 1 . . . . . 97 . . . 6182 1 442 . 1 1 97 97 THR CB C 13 71.9 0.1 . 1 . . . . . 97 . . . 6182 1 443 . 1 1 97 97 THR C C 13 173.3 0.1 . 1 . . . . . 97 . . . 6182 1 444 . 1 1 98 98 VAL N N 15 125.4 0.2 . 1 . . . . . 98 . . . 6182 1 445 . 1 1 98 98 VAL H H 1 9.04 0.01 . 1 . . . . . 98 . . . 6182 1 446 . 1 1 98 98 VAL CA C 13 62.3 0.1 . 1 . . . . . 98 . . . 6182 1 447 . 1 1 98 98 VAL CB C 13 33.4 0.1 . 1 . . . . . 98 . . . 6182 1 448 . 1 1 98 98 VAL C C 13 176.1 0.1 . 1 . . . . . 98 . . . 6182 1 449 . 1 1 99 99 PHE N N 15 126.3 0.2 . 1 . . . . . 99 . . . 6182 1 450 . 1 1 99 99 PHE H H 1 9.86 0.01 . 1 . . . . . 99 . . . 6182 1 451 . 1 1 99 99 PHE CA C 13 55.9 0.1 . 1 . . . . . 99 . . . 6182 1 452 . 1 1 99 99 PHE CB C 13 42.7 0.1 . 1 . . . . . 99 . . . 6182 1 453 . 1 1 99 99 PHE C C 13 171.0 0.1 . 1 . . . . . 99 . . . 6182 1 454 . 1 1 100 100 ASN N N 15 115.5 0.2 . 1 . . . . . 100 . . . 6182 1 455 . 1 1 100 100 ASN H H 1 9.34 0.01 . 1 . . . . . 100 . . . 6182 1 456 . 1 1 100 100 ASN CA C 13 51.4 0.1 . 1 . . . . . 100 . . . 6182 1 457 . 1 1 100 100 ASN CB C 13 45.1 0.1 . 1 . . . . . 100 . . . 6182 1 458 . 1 1 100 100 ASN C C 13 174.4 0.1 . 1 . . . . . 100 . . . 6182 1 459 . 1 1 101 101 VAL N N 15 121.4 0.2 . 1 . . . . . 101 . . . 6182 1 460 . 1 1 101 101 VAL H H 1 9.01 0.01 . 1 . . . . . 101 . . . 6182 1 461 . 1 1 101 101 VAL CA C 13 62.1 0.1 . 1 . . . . . 101 . . . 6182 1 462 . 1 1 101 101 VAL CB C 13 32.0 0.1 . 1 . . . . . 101 . . . 6182 1 463 . 1 1 101 101 VAL C C 13 175.4 0.1 . 1 . . . . . 101 . . . 6182 1 464 . 1 1 102 102 LEU N N 15 125.2 0.2 . 1 . . . . . 102 . . . 6182 1 465 . 1 1 102 102 LEU H H 1 8.48 0.01 . 1 . . . . . 102 . . . 6182 1 466 . 1 1 102 102 LEU CA C 13 55.2 0.1 . 1 . . . . . 102 . . . 6182 1 467 . 1 1 102 102 LEU CB C 13 41.9 0.1 . 1 . . . . . 102 . . . 6182 1 468 . 1 1 102 102 LEU C C 13 177.3 0.1 . 1 . . . . . 102 . . . 6182 1 469 . 1 1 103 103 SER N N 15 107.7 0.2 . 1 . . . . . 103 . . . 6182 1 470 . 1 1 103 103 SER H H 1 6.83 0.01 . 1 . . . . . 103 . . . 6182 1 471 . 1 1 103 103 SER CA C 13 57.0 0.1 . 1 . . . . . 103 . . . 6182 1 472 . 1 1 103 103 SER CB C 13 63.5 0.1 . 1 . . . . . 103 . . . 6182 1 473 . 1 1 103 103 SER C C 13 172.4 0.1 . 1 . . . . . 103 . . . 6182 1 474 . 1 1 104 104 THR N N 15 120.9 0.2 . 1 . . . . . 104 . . . 6182 1 475 . 1 1 104 104 THR H H 1 8.46 0.01 . 1 . . . . . 104 . . . 6182 1 476 . 1 1 104 104 THR CA C 13 61.3 0.1 . 1 . . . . . 104 . . . 6182 1 477 . 1 1 104 104 THR CB C 13 68.3 0.1 . 1 . . . . . 104 . . . 6182 1 478 . 1 1 104 104 THR C C 13 170.0 0.1 . 1 . . . . . 104 . . . 6182 1 479 . 1 1 105 105 ASP N N 15 123.5 0.2 . 1 . . . . . 105 . . . 6182 1 480 . 1 1 105 105 ASP H H 1 6.83 0.01 . 1 . . . . . 105 . . . 6182 1 481 . 1 1 105 105 ASP CA C 13 52.7 0.1 . 1 . . . . . 105 . . . 6182 1 482 . 1 1 105 105 ASP CB C 13 40.9 0.1 . 1 . . . . . 105 . . . 6182 1 483 . 1 1 105 105 ASP C C 13 176.5 0.1 . 1 . . . . . 105 . . . 6182 1 484 . 1 1 106 106 ASN N N 15 115.0 0.2 . 1 . . . . . 106 . . . 6182 1 485 . 1 1 106 106 ASN H H 1 9.54 0.01 . 1 . . . . . 106 . . . 6182 1 486 . 1 1 106 106 ASN CA C 13 55.0 0.1 . 1 . . . . . 106 . . . 6182 1 487 . 1 1 106 106 ASN CB C 13 38.5 0.1 . 1 . . . . . 106 . . . 6182 1 488 . 1 1 106 106 ASN C C 13 174.3 0.1 . 1 . . . . . 106 . . . 6182 1 489 . 1 1 107 107 LYS N N 15 113.2 0.2 . 1 . . . . . 107 . . . 6182 1 490 . 1 1 107 107 LYS H H 1 8.00 0.01 . 1 . . . . . 107 . . . 6182 1 491 . 1 1 107 107 LYS CA C 13 59.3 0.1 . 1 . . . . . 107 . . . 6182 1 492 . 1 1 107 107 LYS CB C 13 36.9 0.1 . 1 . . . . . 107 . . . 6182 1 493 . 1 1 108 108 ASN N N 15 118.1 0.2 . 1 . . . . . 108 . . . 6182 1 494 . 1 1 108 108 ASN H H 1 11.01 0.01 . 1 . . . . . 108 . . . 6182 1 495 . 1 1 108 108 ASN CA C 13 55.4 0.1 . 1 . . . . . 108 . . . 6182 1 496 . 1 1 108 108 ASN CB C 13 42.7 0.1 . 1 . . . . . 108 . . . 6182 1 497 . 1 1 108 108 ASN C C 13 175.2 0.1 . 1 . . . . . 108 . . . 6182 1 498 . 1 1 109 109 TYR N N 15 116.7 0.2 . 1 . . . . . 109 . . . 6182 1 499 . 1 1 109 109 TYR H H 1 8.61 0.01 . 1 . . . . . 109 . . . 6182 1 500 . 1 1 109 109 TYR CA C 13 57.5 0.1 . 1 . . . . . 109 . . . 6182 1 501 . 1 1 109 109 TYR CB C 13 42.5 0.1 . 1 . . . . . 109 . . . 6182 1 502 . 1 1 109 109 TYR C C 13 173.0 0.1 . 1 . . . . . 109 . . . 6182 1 503 . 1 1 110 110 ILE N N 15 122.7 0.2 . 1 . . . . . 110 . . . 6182 1 504 . 1 1 110 110 ILE H H 1 9.17 0.01 . 1 . . . . . 110 . . . 6182 1 505 . 1 1 110 110 ILE CA C 13 62.4 0.1 . 1 . . . . . 110 . . . 6182 1 506 . 1 1 110 110 ILE CB C 13 45.2 0.1 . 1 . . . . . 110 . . . 6182 1 507 . 1 1 110 110 ILE C C 13 174.2 0.1 . 1 . . . . . 110 . . . 6182 1 508 . 1 1 111 111 ILE N N 15 124.9 0.2 . 1 . . . . . 111 . . . 6182 1 509 . 1 1 111 111 ILE H H 1 8.59 0.01 . 1 . . . . . 111 . . . 6182 1 510 . 1 1 111 111 ILE CA C 13 60.9 0.1 . 1 . . . . . 111 . . . 6182 1 511 . 1 1 111 111 ILE CB C 13 39.0 0.1 . 1 . . . . . 111 . . . 6182 1 512 . 1 1 111 111 ILE C C 13 174.6 0.1 . 1 . . . . . 111 . . . 6182 1 513 . 1 1 112 112 GLY N N 15 116.9 0.2 . 1 . . . . . 112 . . . 6182 1 514 . 1 1 112 112 GLY H H 1 8.58 0.01 . 1 . . . . . 112 . . . 6182 1 515 . 1 1 112 112 GLY CA C 13 41.8 0.1 . 1 . . . . . 112 . . . 6182 1 516 . 1 1 112 112 GLY C C 13 169.8 0.1 . 1 . . . . . 112 . . . 6182 1 517 . 1 1 113 113 TYR N N 15 117.9 0.2 . 1 . . . . . 113 . . . 6182 1 518 . 1 1 113 113 TYR H H 1 7.82 0.01 . 1 . . . . . 113 . . . 6182 1 519 . 1 1 113 113 TYR CA C 13 56.0 0.1 . 1 . . . . . 113 . . . 6182 1 520 . 1 1 113 113 TYR CB C 13 44.4 0.1 . 1 . . . . . 113 . . . 6182 1 521 . 1 1 113 113 TYR C C 13 174.1 0.1 . 1 . . . . . 113 . . . 6182 1 522 . 1 1 114 114 SER N N 15 122.2 0.2 . 1 . . . . . 114 . . . 6182 1 523 . 1 1 114 114 SER H H 1 8.46 0.01 . 1 . . . . . 114 . . . 6182 1 524 . 1 1 114 114 SER CA C 13 56.4 0.1 . 1 . . . . . 114 . . . 6182 1 525 . 1 1 114 114 SER CB C 13 67.1 0.1 . 1 . . . . . 114 . . . 6182 1 526 . 1 1 114 114 SER C C 13 170.9 0.1 . 1 . . . . . 114 . . . 6182 1 527 . 1 1 115 115 CYS N N 15 120.1 0.2 . 1 . . . . . 115 . . . 6182 1 528 . 1 1 115 115 CYS H H 1 8.68 0.01 . 1 . . . . . 115 . . . 6182 1 529 . 1 1 115 115 CYS CA C 13 56.4 0.1 . 1 . . . . . 115 . . . 6182 1 530 . 1 1 115 115 CYS CB C 13 45.5 0.1 . 1 . . . . . 115 . . . 6182 1 531 . 1 1 115 115 CYS C C 13 172.9 0.1 . 1 . . . . . 115 . . . 6182 1 532 . 1 1 116 116 ARG N N 15 130.0 0.2 . 1 . . . . . 116 . . . 6182 1 533 . 1 1 116 116 ARG H H 1 9.20 0.01 . 1 . . . . . 116 . . . 6182 1 534 . 1 1 116 116 ARG CA C 13 54.6 0.1 . 1 . . . . . 116 . . . 6182 1 535 . 1 1 116 116 ARG CB C 13 33.2 0.1 . 1 . . . . . 116 . . . 6182 1 536 . 1 1 116 116 ARG C C 13 174.3 0.1 . 1 . . . . . 116 . . . 6182 1 537 . 1 1 117 117 TYR N N 15 126.8 0.2 . 1 . . . . . 117 . . . 6182 1 538 . 1 1 117 117 TYR H H 1 9.32 0.01 . 1 . . . . . 117 . . . 6182 1 539 . 1 1 117 117 TYR CA C 13 58.5 0.1 . 1 . . . . . 117 . . . 6182 1 540 . 1 1 117 117 TYR CB C 13 40.2 0.1 . 1 . . . . . 117 . . . 6182 1 541 . 1 1 118 118 ASP CA C 13 52.8 0.1 . 1 . . . . . 118 . . . 6182 1 542 . 1 1 118 118 ASP CB C 13 43.1 0.1 . 1 . . . . . 118 . . . 6182 1 543 . 1 1 118 118 ASP C C 13 175.4 0.1 . 1 . . . . . 118 . . . 6182 1 544 . 1 1 119 119 GLU N N 15 124.0 0.2 . 1 . . . . . 119 . . . 6182 1 545 . 1 1 119 119 GLU H H 1 8.89 0.01 . 1 . . . . . 119 . . . 6182 1 546 . 1 1 119 119 GLU CA C 13 58.8 0.1 . 1 . . . . . 119 . . . 6182 1 547 . 1 1 119 119 GLU CB C 13 29.9 0.1 . 1 . . . . . 119 . . . 6182 1 548 . 1 1 119 119 GLU C C 13 177.5 0.1 . 1 . . . . . 119 . . . 6182 1 549 . 1 1 120 120 ASP N N 15 117.7 0.2 . 1 . . . . . 120 . . . 6182 1 550 . 1 1 120 120 ASP H H 1 8.32 0.01 . 1 . . . . . 120 . . . 6182 1 551 . 1 1 120 120 ASP CA C 13 56.4 0.1 . 1 . . . . . 120 . . . 6182 1 552 . 1 1 120 120 ASP CB C 13 41.2 0.1 . 1 . . . . . 120 . . . 6182 1 553 . 1 1 120 120 ASP C C 13 177.4 0.1 . 1 . . . . . 120 . . . 6182 1 554 . 1 1 121 121 LYS N N 15 116.7 0.2 . 1 . . . . . 121 . . . 6182 1 555 . 1 1 121 121 LYS H H 1 7.69 0.01 . 1 . . . . . 121 . . . 6182 1 556 . 1 1 121 121 LYS CA C 13 56.3 0.1 . 1 . . . . . 121 . . . 6182 1 557 . 1 1 121 121 LYS C C 13 176.2 0.1 . 1 . . . . . 121 . . . 6182 1 558 . 1 1 122 122 LYS N N 15 116.0 0.2 . 1 . . . . . 122 . . . 6182 1 559 . 1 1 122 122 LYS H H 1 8.19 0.01 . 1 . . . . . 122 . . . 6182 1 560 . 1 1 122 122 LYS CA C 13 56.7 0.1 . 1 . . . . . 122 . . . 6182 1 561 . 1 1 122 122 LYS C C 13 176.1 0.1 . 1 . . . . . 122 . . . 6182 1 562 . 1 1 123 123 GLY N N 15 107.3 0.2 . 1 . . . . . 123 . . . 6182 1 563 . 1 1 123 123 GLY H H 1 7.37 0.01 . 1 . . . . . 123 . . . 6182 1 564 . 1 1 123 123 GLY CA C 13 45.0 0.1 . 1 . . . . . 123 . . . 6182 1 565 . 1 1 123 123 GLY C C 13 171.5 0.1 . 1 . . . . . 123 . . . 6182 1 566 . 1 1 124 124 HIS N N 15 112.4 0.2 . 1 . . . . . 124 . . . 6182 1 567 . 1 1 124 124 HIS H H 1 8.80 0.01 . 1 . . . . . 124 . . . 6182 1 568 . 1 1 124 124 HIS CA C 13 53.7 0.1 . 1 . . . . . 124 . . . 6182 1 569 . 1 1 124 124 HIS CB C 13 33.9 0.1 . 1 . . . . . 124 . . . 6182 1 570 . 1 1 124 124 HIS C C 13 170.8 0.1 . 1 . . . . . 124 . . . 6182 1 571 . 1 1 125 125 TRP N N 15 119.5 0.2 . 1 . . . . . 125 . . . 6182 1 572 . 1 1 125 125 TRP H H 1 9.16 0.01 . 1 . . . . . 125 . . . 6182 1 573 . 1 1 125 125 TRP CA C 13 54.8 0.1 . 1 . . . . . 125 . . . 6182 1 574 . 1 1 125 125 TRP CB C 13 31.3 0.1 . 1 . . . . . 125 . . . 6182 1 575 . 1 1 125 125 TRP NE1 N 15 128.1 0.2 . 1 . . . . . 125 . . . 6182 1 576 . 1 1 125 125 TRP HE1 H 1 9.76 0.01 . 1 . . . . . 125 . . . 6182 1 577 . 1 1 125 125 TRP C C 13 176.9 0.1 . 1 . . . . . 125 . . . 6182 1 578 . 1 1 126 126 ASP N N 15 124.5 0.2 . 1 . . . . . 126 . . . 6182 1 579 . 1 1 126 126 ASP H H 1 9.78 0.01 . 1 . . . . . 126 . . . 6182 1 580 . 1 1 126 126 ASP CA C 13 52.2 0.1 . 1 . . . . . 126 . . . 6182 1 581 . 1 1 126 126 ASP CB C 13 45.0 0.1 . 1 . . . . . 126 . . . 6182 1 582 . 1 1 126 126 ASP C C 13 175.1 0.1 . 1 . . . . . 126 . . . 6182 1 583 . 1 1 127 127 HIS N N 15 118.5 0.2 . 1 . . . . . 127 . . . 6182 1 584 . 1 1 127 127 HIS H H 1 8.62 0.01 . 1 . . . . . 127 . . . 6182 1 585 . 1 1 127 127 HIS CA C 13 57.3 0.1 . 1 . . . . . 127 . . . 6182 1 586 . 1 1 127 127 HIS CB C 13 35.0 0.1 . 1 . . . . . 127 . . . 6182 1 587 . 1 1 128 128 VAL CA C 13 58.5 0.1 . 1 . . . . . 128 . . . 6182 1 588 . 1 1 128 128 VAL CB C 13 35.9 0.1 . 1 . . . . . 128 . . . 6182 1 589 . 1 1 128 128 VAL C C 13 172.7 0.1 . 1 . . . . . 128 . . . 6182 1 590 . 1 1 129 129 TRP N N 15 121.3 0.2 . 1 . . . . . 129 . . . 6182 1 591 . 1 1 129 129 TRP H H 1 7.74 0.01 . 1 . . . . . 129 . . . 6182 1 592 . 1 1 129 129 TRP CA C 13 55.6 0.1 . 1 . . . . . 129 . . . 6182 1 593 . 1 1 129 129 TRP CB C 13 33.6 0.1 . 1 . . . . . 129 . . . 6182 1 594 . 1 1 129 129 TRP C C 13 172.8 0.1 . 1 . . . . . 129 . . . 6182 1 595 . 1 1 130 130 VAL N N 15 119.9 0.2 . 1 . . . . . 130 . . . 6182 1 596 . 1 1 130 130 VAL H H 1 9.04 0.01 . 1 . . . . . 130 . . . 6182 1 597 . 1 1 130 130 VAL CA C 13 61.1 0.1 . 1 . . . . . 130 . . . 6182 1 598 . 1 1 130 130 VAL CB C 13 33.3 0.1 . 1 . . . . . 130 . . . 6182 1 599 . 1 1 130 130 VAL C C 13 175.4 0.1 . 1 . . . . . 130 . . . 6182 1 600 . 1 1 131 131 LEU N N 15 125.9 0.2 . 1 . . . . . 131 . . . 6182 1 601 . 1 1 131 131 LEU H H 1 9.79 0.01 . 1 . . . . . 131 . . . 6182 1 602 . 1 1 131 131 LEU CA C 13 52.5 0.1 . 1 . . . . . 131 . . . 6182 1 603 . 1 1 131 131 LEU CB C 13 45.3 0.1 . 1 . . . . . 131 . . . 6182 1 604 . 1 1 131 131 LEU C C 13 177.5 0.1 . 1 . . . . . 131 . . . 6182 1 605 . 1 1 132 132 SER N N 15 114.1 0.2 . 1 . . . . . 132 . . . 6182 1 606 . 1 1 132 132 SER H H 1 9.92 0.01 . 1 . . . . . 132 . . . 6182 1 607 . 1 1 132 132 SER CA C 13 55.4 0.1 . 1 . . . . . 132 . . . 6182 1 608 . 1 1 132 132 SER CB C 13 66.9 0.1 . 1 . . . . . 132 . . . 6182 1 609 . 1 1 132 132 SER C C 13 175.9 0.1 . 1 . . . . . 132 . . . 6182 1 610 . 1 1 133 133 ARG N N 15 127.6 0.2 . 1 . . . . . 133 . . . 6182 1 611 . 1 1 133 133 ARG H H 1 8.52 0.01 . 1 . . . . . 133 . . . 6182 1 612 . 1 1 133 133 ARG CA C 13 58.4 0.1 . 1 . . . . . 133 . . . 6182 1 613 . 1 1 133 133 ARG CB C 13 30.6 0.1 . 1 . . . . . 133 . . . 6182 1 614 . 1 1 133 133 ARG C C 13 176.6 0.1 . 1 . . . . . 133 . . . 6182 1 615 . 1 1 134 134 SER N N 15 111.8 0.2 . 1 . . . . . 134 . . . 6182 1 616 . 1 1 134 134 SER H H 1 8.08 0.01 . 1 . . . . . 134 . . . 6182 1 617 . 1 1 134 134 SER CA C 13 56.1 0.1 . 1 . . . . . 134 . . . 6182 1 618 . 1 1 134 134 SER CB C 13 65.1 0.1 . 1 . . . . . 134 . . . 6182 1 619 . 1 1 134 134 SER C C 13 174.4 0.1 . 1 . . . . . 134 . . . 6182 1 620 . 1 1 135 135 MET N N 15 123.1 0.2 . 1 . . . . . 135 . . . 6182 1 621 . 1 1 135 135 MET H H 1 8.29 0.01 . 1 . . . . . 135 . . . 6182 1 622 . 1 1 135 135 MET CA C 13 58.9 0.1 . 1 . . . . . 135 . . . 6182 1 623 . 1 1 135 135 MET CB C 13 33.7 0.1 . 1 . . . . . 135 . . . 6182 1 624 . 1 1 135 135 MET C C 13 173.7 0.1 . 1 . . . . . 135 . . . 6182 1 625 . 1 1 136 136 VAL N N 15 111.9 0.2 . 1 . . . . . 136 . . . 6182 1 626 . 1 1 136 136 VAL H H 1 7.11 0.01 . 1 . . . . . 136 . . . 6182 1 627 . 1 1 136 136 VAL CA C 13 59.9 0.1 . 1 . . . . . 136 . . . 6182 1 628 . 1 1 136 136 VAL CB C 13 34.4 0.1 . 1 . . . . . 136 . . . 6182 1 629 . 1 1 136 136 VAL C C 13 176.4 0.1 . 1 . . . . . 136 . . . 6182 1 630 . 1 1 137 137 LEU N N 15 128.8 0.2 . 1 . . . . . 137 . . . 6182 1 631 . 1 1 137 137 LEU H H 1 9.15 0.01 . 1 . . . . . 137 . . . 6182 1 632 . 1 1 137 137 LEU CA C 13 55.2 0.1 . 1 . . . . . 137 . . . 6182 1 633 . 1 1 137 137 LEU CB C 13 43.0 0.1 . 1 . . . . . 137 . . . 6182 1 634 . 1 1 137 137 LEU C C 13 176.0 0.1 . 1 . . . . . 137 . . . 6182 1 635 . 1 1 138 138 THR N N 15 115.7 0.2 . 1 . . . . . 138 . . . 6182 1 636 . 1 1 138 138 THR H H 1 8.60 0.01 . 1 . . . . . 138 . . . 6182 1 637 . 1 1 138 138 THR CA C 13 60.3 0.1 . 1 . . . . . 138 . . . 6182 1 638 . 1 1 138 138 THR CB C 13 71.9 0.1 . 1 . . . . . 138 . . . 6182 1 639 . 1 1 138 138 THR C C 13 174.8 0.1 . 1 . . . . . 138 . . . 6182 1 640 . 1 1 139 139 GLY N N 15 109.1 0.2 . 1 . . . . . 139 . . . 6182 1 641 . 1 1 139 139 GLY H H 1 8.69 0.01 . 1 . . . . . 139 . . . 6182 1 642 . 1 1 139 139 GLY CA C 13 46.8 0.1 . 1 . . . . . 139 . . . 6182 1 643 . 1 1 139 139 GLY C C 13 175.6 0.1 . 1 . . . . . 139 . . . 6182 1 644 . 1 1 140 140 GLU N N 15 124.1 0.2 . 1 . . . . . 140 . . . 6182 1 645 . 1 1 140 140 GLU H H 1 8.99 0.01 . 1 . . . . . 140 . . . 6182 1 646 . 1 1 140 140 GLU CA C 13 59.1 0.1 . 1 . . . . . 140 . . . 6182 1 647 . 1 1 140 140 GLU CB C 13 29.5 0.1 . 1 . . . . . 140 . . . 6182 1 648 . 1 1 140 140 GLU C C 13 178.8 0.1 . 1 . . . . . 140 . . . 6182 1 649 . 1 1 141 141 ALA N N 15 122.5 0.2 . 1 . . . . . 141 . . . 6182 1 650 . 1 1 141 141 ALA H H 1 8.32 0.01 . 1 . . . . . 141 . . . 6182 1 651 . 1 1 141 141 ALA CA C 13 55.1 0.1 . 1 . . . . . 141 . . . 6182 1 652 . 1 1 141 141 ALA CB C 13 19.5 0.1 . 1 . . . . . 141 . . . 6182 1 653 . 1 1 141 141 ALA C C 13 178.0 0.1 . 1 . . . . . 141 . . . 6182 1 654 . 1 1 142 142 LYS N N 15 117.3 0.2 . 1 . . . . . 142 . . . 6182 1 655 . 1 1 142 142 LYS H H 1 7.17 0.01 . 1 . . . . . 142 . . . 6182 1 656 . 1 1 142 142 LYS CA C 13 59.7 0.1 . 1 . . . . . 142 . . . 6182 1 657 . 1 1 142 142 LYS CB C 13 32.2 0.1 . 1 . . . . . 142 . . . 6182 1 658 . 1 1 142 142 LYS C C 13 177.7 0.1 . 1 . . . . . 142 . . . 6182 1 659 . 1 1 143 143 THR N N 15 114.1 0.2 . 1 . . . . . 143 . . . 6182 1 660 . 1 1 143 143 THR H H 1 7.81 0.01 . 1 . . . . . 143 . . . 6182 1 661 . 1 1 143 143 THR CA C 13 66.0 0.1 . 1 . . . . . 143 . . . 6182 1 662 . 1 1 143 143 THR CB C 13 68.9 0.1 . 1 . . . . . 143 . . . 6182 1 663 . 1 1 143 143 THR C C 13 175.6 0.1 . 1 . . . . . 143 . . . 6182 1 664 . 1 1 144 144 ALA N N 15 123.6 0.2 . 1 . . . . . 144 . . . 6182 1 665 . 1 1 144 144 ALA H H 1 8.07 0.01 . 1 . . . . . 144 . . . 6182 1 666 . 1 1 144 144 ALA CA C 13 55.3 0.1 . 1 . . . . . 144 . . . 6182 1 667 . 1 1 144 144 ALA CB C 13 18.4 0.1 . 1 . . . . . 144 . . . 6182 1 668 . 1 1 144 144 ALA C C 13 181.1 0.1 . 1 . . . . . 144 . . . 6182 1 669 . 1 1 145 145 VAL N N 15 119.8 0.2 . 1 . . . . . 145 . . . 6182 1 670 . 1 1 145 145 VAL H H 1 8.02 0.01 . 1 . . . . . 145 . . . 6182 1 671 . 1 1 145 145 VAL CA C 13 66.9 0.1 . 1 . . . . . 145 . . . 6182 1 672 . 1 1 145 145 VAL CB C 13 31.8 0.1 . 1 . . . . . 145 . . . 6182 1 673 . 1 1 145 145 VAL C C 13 177.4 0.1 . 1 . . . . . 145 . . . 6182 1 674 . 1 1 146 146 GLU N N 15 118.3 0.2 . 1 . . . . . 146 . . . 6182 1 675 . 1 1 146 146 GLU H H 1 8.39 0.01 . 1 . . . . . 146 . . . 6182 1 676 . 1 1 146 146 GLU CA C 13 60.0 0.1 . 1 . . . . . 146 . . . 6182 1 677 . 1 1 146 146 GLU CB C 13 29.3 0.1 . 1 . . . . . 146 . . . 6182 1 678 . 1 1 146 146 GLU C C 13 179.0 0.1 . 1 . . . . . 146 . . . 6182 1 679 . 1 1 147 147 ASN N N 15 115.9 0.2 . 1 . . . . . 147 . . . 6182 1 680 . 1 1 147 147 ASN H H 1 8.59 0.01 . 1 . . . . . 147 . . . 6182 1 681 . 1 1 147 147 ASN CA C 13 55.6 0.1 . 1 . . . . . 147 . . . 6182 1 682 . 1 1 147 147 ASN CB C 13 38.0 0.1 . 1 . . . . . 147 . . . 6182 1 683 . 1 1 147 147 ASN C C 13 178.2 0.1 . 1 . . . . . 147 . . . 6182 1 684 . 1 1 148 148 TYR N N 15 120.4 0.2 . 1 . . . . . 148 . . . 6182 1 685 . 1 1 148 148 TYR H H 1 8.05 0.01 . 1 . . . . . 148 . . . 6182 1 686 . 1 1 148 148 TYR CA C 13 62.1 0.1 . 1 . . . . . 148 . . . 6182 1 687 . 1 1 148 148 TYR CB C 13 38.0 0.1 . 1 . . . . . 148 . . . 6182 1 688 . 1 1 148 148 TYR C C 13 178.0 0.1 . 1 . . . . . 148 . . . 6182 1 689 . 1 1 149 149 LEU N N 15 117.3 0.2 . 1 . . . . . 149 . . . 6182 1 690 . 1 1 149 149 LEU H H 1 8.40 0.01 . 1 . . . . . 149 . . . 6182 1 691 . 1 1 149 149 LEU CA C 13 57.7 0.1 . 1 . . . . . 149 . . . 6182 1 692 . 1 1 149 149 LEU CB C 13 41.6 0.1 . 1 . . . . . 149 . . . 6182 1 693 . 1 1 149 149 LEU C C 13 179.4 0.1 . 1 . . . . . 149 . . . 6182 1 694 . 1 1 150 150 ILE N N 15 117.0 0.2 . 1 . . . . . 150 . . . 6182 1 695 . 1 1 150 150 ILE H H 1 7.97 0.01 . 1 . . . . . 150 . . . 6182 1 696 . 1 1 150 150 ILE CA C 13 63.8 0.1 . 1 . . . . . 150 . . . 6182 1 697 . 1 1 150 150 ILE CB C 13 38.3 0.1 . 1 . . . . . 150 . . . 6182 1 698 . 1 1 150 150 ILE C C 13 177.4 0.1 . 1 . . . . . 150 . . . 6182 1 699 . 1 1 151 151 GLY N N 15 105.4 0.2 . 1 . . . . . 151 . . . 6182 1 700 . 1 1 151 151 GLY H H 1 7.04 0.01 . 1 . . . . . 151 . . . 6182 1 701 . 1 1 151 151 GLY CA C 13 44.7 0.1 . 1 . . . . . 151 . . . 6182 1 702 . 1 1 151 151 GLY C C 13 174.5 0.1 . 1 . . . . . 151 . . . 6182 1 703 . 1 1 152 152 SER N N 15 114.6 0.2 . 1 . . . . . 152 . . . 6182 1 704 . 1 1 152 152 SER H H 1 6.99 0.01 . 1 . . . . . 152 . . . 6182 1 705 . 1 1 152 152 SER CA C 13 55.6 0.1 . 1 . . . . . 152 . . . 6182 1 706 . 1 1 152 152 SER CB C 13 65.2 0.1 . 1 . . . . . 152 . . . 6182 1 707 . 1 1 153 153 PRO CA C 13 63.2 0.1 . 1 . . . . . 153 . . . 6182 1 708 . 1 1 153 153 PRO CB C 13 32.1 0.1 . 1 . . . . . 153 . . . 6182 1 709 . 1 1 153 153 PRO C C 13 176.4 0.1 . 1 . . . . . 153 . . . 6182 1 710 . 1 1 154 154 VAL N N 15 113.7 0.2 . 1 . . . . . 154 . . . 6182 1 711 . 1 1 154 154 VAL H H 1 7.29 0.01 . 1 . . . . . 154 . . . 6182 1 712 . 1 1 154 154 VAL CA C 13 62.4 0.1 . 1 . . . . . 154 . . . 6182 1 713 . 1 1 154 154 VAL CB C 13 34.0 0.1 . 1 . . . . . 154 . . . 6182 1 714 . 1 1 154 154 VAL C C 13 174.6 0.1 . 1 . . . . . 154 . . . 6182 1 715 . 1 1 155 155 VAL N N 15 119.0 0.2 . 1 . . . . . 155 . . . 6182 1 716 . 1 1 155 155 VAL H H 1 7.30 0.01 . 1 . . . . . 155 . . . 6182 1 717 . 1 1 155 155 VAL CA C 13 62.3 0.1 . 1 . . . . . 155 . . . 6182 1 718 . 1 1 155 155 VAL CB C 13 33.2 0.1 . 1 . . . . . 155 . . . 6182 1 719 . 1 1 155 155 VAL C C 13 174.2 0.1 . 1 . . . . . 155 . . . 6182 1 720 . 1 1 156 156 ASP N N 15 126.4 0.2 . 1 . . . . . 156 . . . 6182 1 721 . 1 1 156 156 ASP H H 1 8.50 0.01 . 1 . . . . . 156 . . . 6182 1 722 . 1 1 156 156 ASP CA C 13 51.9 0.1 . 1 . . . . . 156 . . . 6182 1 723 . 1 1 156 156 ASP CB C 13 40.5 0.1 . 1 . . . . . 156 . . . 6182 1 724 . 1 1 156 156 ASP C C 13 177.1 0.1 . 1 . . . . . 156 . . . 6182 1 725 . 1 1 157 157 SER N N 15 120.8 0.2 . 1 . . . . . 157 . . . 6182 1 726 . 1 1 157 157 SER H H 1 8.86 0.01 . 1 . . . . . 157 . . . 6182 1 727 . 1 1 157 157 SER CA C 13 61.7 0.1 . 1 . . . . . 157 . . . 6182 1 728 . 1 1 157 157 SER CB C 13 62.7 0.1 . 1 . . . . . 157 . . . 6182 1 729 . 1 1 157 157 SER C C 13 176.5 0.1 . 1 . . . . . 157 . . . 6182 1 730 . 1 1 158 158 GLN N N 15 119.4 0.2 . 1 . . . . . 158 . . . 6182 1 731 . 1 1 158 158 GLN H H 1 8.38 0.01 . 1 . . . . . 158 . . . 6182 1 732 . 1 1 158 158 GLN CA C 13 57.4 0.1 . 1 . . . . . 158 . . . 6182 1 733 . 1 1 158 158 GLN CB C 13 28.5 0.1 . 1 . . . . . 158 . . . 6182 1 734 . 1 1 158 158 GLN C C 13 177.0 0.1 . 1 . . . . . 158 . . . 6182 1 735 . 1 1 159 159 LYS N N 15 115.9 0.2 . 1 . . . . . 159 . . . 6182 1 736 . 1 1 159 159 LYS H H 1 7.58 0.01 . 1 . . . . . 159 . . . 6182 1 737 . 1 1 159 159 LYS CA C 13 55.1 0.1 . 1 . . . . . 159 . . . 6182 1 738 . 1 1 159 159 LYS CB C 13 33.8 0.1 . 1 . . . . . 159 . . . 6182 1 739 . 1 1 159 159 LYS C C 13 176.6 0.1 . 1 . . . . . 159 . . . 6182 1 740 . 1 1 160 160 LEU N N 15 116.3 0.2 . 1 . . . . . 160 . . . 6182 1 741 . 1 1 160 160 LEU H H 1 6.91 0.01 . 1 . . . . . 160 . . . 6182 1 742 . 1 1 160 160 LEU CA C 13 56.2 0.1 . 1 . . . . . 160 . . . 6182 1 743 . 1 1 160 160 LEU CB C 13 43.1 0.1 . 1 . . . . . 160 . . . 6182 1 744 . 1 1 160 160 LEU C C 13 176.1 0.1 . 1 . . . . . 160 . . . 6182 1 745 . 1 1 161 161 VAL N N 15 120.0 0.2 . 1 . . . . . 161 . . . 6182 1 746 . 1 1 161 161 VAL H H 1 9.06 0.01 . 1 . . . . . 161 . . . 6182 1 747 . 1 1 161 161 VAL CA C 13 60.7 0.1 . 1 . . . . . 161 . . . 6182 1 748 . 1 1 161 161 VAL CB C 13 33.6 0.1 . 1 . . . . . 161 . . . 6182 1 749 . 1 1 161 161 VAL C C 13 176.8 0.1 . 1 . . . . . 161 . . . 6182 1 750 . 1 1 162 162 TYR N N 15 128.5 0.2 . 1 . . . . . 162 . . . 6182 1 751 . 1 1 162 162 TYR H H 1 9.26 0.01 . 1 . . . . . 162 . . . 6182 1 752 . 1 1 162 162 TYR CA C 13 58.1 0.1 . 1 . . . . . 162 . . . 6182 1 753 . 1 1 162 162 TYR CB C 13 39.6 0.1 . 1 . . . . . 162 . . . 6182 1 754 . 1 1 162 162 TYR C C 13 176.8 0.1 . 1 . . . . . 162 . . . 6182 1 755 . 1 1 163 163 SER N N 15 119.6 0.2 . 1 . . . . . 163 . . . 6182 1 756 . 1 1 163 163 SER H H 1 8.62 0.01 . 1 . . . . . 163 . . . 6182 1 757 . 1 1 163 163 SER CA C 13 58.3 0.1 . 1 . . . . . 163 . . . 6182 1 758 . 1 1 163 163 SER CB C 13 65.4 0.1 . 1 . . . . . 163 . . . 6182 1 759 . 1 1 163 163 SER C C 13 172.8 0.1 . 1 . . . . . 163 . . . 6182 1 760 . 1 1 164 164 ASP N N 15 119.2 0.2 . 1 . . . . . 164 . . . 6182 1 761 . 1 1 164 164 ASP H H 1 8.01 0.01 . 1 . . . . . 164 . . . 6182 1 762 . 1 1 164 164 ASP CA C 13 52.8 0.1 . 1 . . . . . 164 . . . 6182 1 763 . 1 1 164 164 ASP CB C 13 41.5 0.1 . 1 . . . . . 164 . . . 6182 1 764 . 1 1 164 164 ASP C C 13 176.5 0.1 . 1 . . . . . 164 . . . 6182 1 765 . 1 1 165 165 PHE N N 15 115.5 0.2 . 1 . . . . . 165 . . . 6182 1 766 . 1 1 165 165 PHE H H 1 8.05 0.01 . 1 . . . . . 165 . . . 6182 1 767 . 1 1 165 165 PHE CA C 13 60.3 0.1 . 1 . . . . . 165 . . . 6182 1 768 . 1 1 165 165 PHE CB C 13 36.6 0.1 . 1 . . . . . 165 . . . 6182 1 769 . 1 1 165 165 PHE C C 13 174.9 0.1 . 1 . . . . . 165 . . . 6182 1 770 . 1 1 166 166 SER N N 15 113.4 0.2 . 1 . . . . . 166 . . . 6182 1 771 . 1 1 166 166 SER H H 1 7.62 0.01 . 1 . . . . . 166 . . . 6182 1 772 . 1 1 166 166 SER CA C 13 58.0 0.1 . 1 . . . . . 166 . . . 6182 1 773 . 1 1 166 166 SER CB C 13 64.9 0.1 . 1 . . . . . 166 . . . 6182 1 774 . 1 1 166 166 SER C C 13 174.2 0.1 . 1 . . . . . 166 . . . 6182 1 775 . 1 1 167 167 GLU N N 15 120.4 0.2 . 1 . . . . . 167 . . . 6182 1 776 . 1 1 167 167 GLU H H 1 8.78 0.01 . 1 . . . . . 167 . . . 6182 1 777 . 1 1 167 167 GLU CA C 13 59.7 0.1 . 1 . . . . . 167 . . . 6182 1 778 . 1 1 167 167 GLU CB C 13 29.5 0.1 . 1 . . . . . 167 . . . 6182 1 779 . 1 1 167 167 GLU C C 13 179.2 0.1 . 1 . . . . . 167 . . . 6182 1 780 . 1 1 168 168 ALA N N 15 118.2 0.2 . 1 . . . . . 168 . . . 6182 1 781 . 1 1 168 168 ALA H H 1 8.30 0.01 . 1 . . . . . 168 . . . 6182 1 782 . 1 1 168 168 ALA CA C 13 54.8 0.1 . 1 . . . . . 168 . . . 6182 1 783 . 1 1 168 168 ALA CB C 13 18.5 0.1 . 1 . . . . . 168 . . . 6182 1 784 . 1 1 168 168 ALA C C 13 180.0 0.1 . 1 . . . . . 168 . . . 6182 1 785 . 1 1 169 169 ALA N N 15 120.0 0.2 . 1 . . . . . 169 . . . 6182 1 786 . 1 1 169 169 ALA H H 1 7.95 0.01 . 1 . . . . . 169 . . . 6182 1 787 . 1 1 169 169 ALA CA C 13 54.5 0.1 . 1 . . . . . 169 . . . 6182 1 788 . 1 1 169 169 ALA CB C 13 19.9 0.1 . 1 . . . . . 169 . . . 6182 1 789 . 1 1 169 169 ALA C C 13 179.9 0.1 . 1 . . . . . 169 . . . 6182 1 790 . 1 1 170 170 CYS N N 15 111.8 0.2 . 1 . . . . . 170 . . . 6182 1 791 . 1 1 170 170 CYS H H 1 8.02 0.01 . 1 . . . . . 170 . . . 6182 1 792 . 1 1 170 170 CYS CA C 13 54.2 0.1 . 1 . . . . . 170 . . . 6182 1 793 . 1 1 170 170 CYS CB C 13 43.2 0.1 . 1 . . . . . 170 . . . 6182 1 794 . 1 1 170 170 CYS C C 13 173.9 0.1 . 1 . . . . . 170 . . . 6182 1 795 . 1 1 171 171 LYS N N 15 121.8 0.2 . 1 . . . . . 171 . . . 6182 1 796 . 1 1 171 171 LYS H H 1 7.31 0.01 . 1 . . . . . 171 . . . 6182 1 797 . 1 1 171 171 LYS CA C 13 57.6 0.1 . 1 . . . . . 171 . . . 6182 1 798 . 1 1 171 171 LYS CB C 13 32.5 0.1 . 1 . . . . . 171 . . . 6182 1 799 . 1 1 171 171 LYS C C 13 175.4 0.1 . 1 . . . . . 171 . . . 6182 1 800 . 1 1 172 172 VAL N N 15 125.8 0.2 . 1 . . . . . 172 . . . 6182 1 801 . 1 1 172 172 VAL H H 1 8.33 0.01 . 1 . . . . . 172 . . . 6182 1 802 . 1 1 172 172 VAL CA C 13 61.0 0.1 . 1 . . . . . 172 . . . 6182 1 803 . 1 1 172 172 VAL CB C 13 33.5 0.1 . 1 . . . . . 172 . . . 6182 1 804 . 1 1 172 172 VAL C C 13 176.3 0.1 . 1 . . . . . 172 . . . 6182 1 805 . 1 1 173 173 ASN N N 15 125.4 0.2 . 1 . . . . . 173 . . . 6182 1 806 . 1 1 173 173 ASN H H 1 9.18 0.01 . 1 . . . . . 173 . . . 6182 1 807 . 1 1 173 173 ASN CA C 13 53.4 0.1 . 1 . . . . . 173 . . . 6182 1 808 . 1 1 173 173 ASN CB C 13 38.8 0.1 . 1 . . . . . 173 . . . 6182 1 809 . 1 1 173 173 ASN C C 13 175.1 0.1 . 1 . . . . . 173 . . . 6182 1 810 . 1 1 174 174 ASN N N 15 119.9 0.2 . 1 . . . . . 174 . . . 6182 1 811 . 1 1 174 174 ASN H H 1 8.55 0.01 . 1 . . . . . 174 . . . 6182 1 812 . 1 1 174 174 ASN CA C 13 53.3 0.1 . 1 . . . . . 174 . . . 6182 1 813 . 1 1 174 174 ASN CB C 13 39.0 0.1 . 1 . . . . . 174 . . . 6182 1 814 . 1 1 174 174 ASN C C 13 175.2 0.1 . 1 . . . . . 174 . . . 6182 1 815 . 1 1 175 175 SER N N 15 115.8 0.2 . 1 . . . . . 175 . . . 6182 1 816 . 1 1 175 175 SER H H 1 8.32 0.01 . 1 . . . . . 175 . . . 6182 1 817 . 1 1 175 175 SER CA C 13 58.7 0.1 . 1 . . . . . 175 . . . 6182 1 818 . 1 1 175 175 SER CB C 13 63.7 0.1 . 1 . . . . . 175 . . . 6182 1 819 . 1 1 175 175 SER C C 13 174.3 0.1 . 1 . . . . . 175 . . . 6182 1 820 . 1 1 176 176 ASN N N 15 120.0 0.2 . 1 . . . . . 176 . . . 6182 1 821 . 1 1 176 176 ASN H H 1 8.46 0.01 . 1 . . . . . 176 . . . 6182 1 822 . 1 1 176 176 ASN CA C 13 53.4 0.1 . 1 . . . . . 176 . . . 6182 1 823 . 1 1 176 176 ASN CB C 13 38.8 0.1 . 1 . . . . . 176 . . . 6182 1 824 . 1 1 176 176 ASN C C 13 174.8 0.1 . 1 . . . . . 176 . . . 6182 1 825 . 1 1 177 177 TRP N N 15 120.9 0.2 . 1 . . . . . 177 . . . 6182 1 826 . 1 1 177 177 TRP H H 1 8.00 0.01 . 1 . . . . . 177 . . . 6182 1 827 . 1 1 177 177 TRP CA C 13 57.4 0.1 . 1 . . . . . 177 . . . 6182 1 828 . 1 1 177 177 TRP CB C 13 29.8 0.1 . 1 . . . . . 177 . . . 6182 1 829 . 1 1 177 177 TRP NE1 N 15 129.4 0.2 . 1 . . . . . 177 . . . 6182 1 830 . 1 1 177 177 TRP HE1 H 1 10.12 0.01 . 1 . . . . . 177 . . . 6182 1 831 . 1 1 177 177 TRP C C 13 175.9 0.1 . 1 . . . . . 177 . . . 6182 1 832 . 1 1 178 178 SER N N 15 117.0 0.2 . 1 . . . . . 178 . . . 6182 1 833 . 1 1 178 178 SER H H 1 7.96 0.01 . 1 . . . . . 178 . . . 6182 1 834 . 1 1 178 178 SER CA C 13 58.0 0.1 . 1 . . . . . 178 . . . 6182 1 835 . 1 1 178 178 SER CB C 13 63.8 0.1 . 1 . . . . . 178 . . . 6182 1 836 . 1 1 178 178 SER C C 13 173.3 0.1 . 1 . . . . . 178 . . . 6182 1 837 . 1 1 179 179 HIS N N 15 121.4 0.2 . 1 . . . . . 179 . . . 6182 1 838 . 1 1 179 179 HIS H H 1 8.06 0.01 . 1 . . . . . 179 . . . 6182 1 839 . 1 1 179 179 HIS CA C 13 54.1 0.1 . 1 . . . . . 179 . . . 6182 1 840 . 1 1 179 179 HIS CB C 13 29.7 0.1 . 1 . . . . . 179 . . . 6182 1 841 . 1 1 180 180 PRO CA C 13 63.4 0.1 . 1 . . . . . 180 . . . 6182 1 842 . 1 1 180 180 PRO CB C 13 32.2 0.1 . 1 . . . . . 180 . . . 6182 1 843 . 1 1 180 180 PRO C C 13 176.8 0.1 . 1 . . . . . 180 . . . 6182 1 844 . 1 1 181 181 GLN N N 15 120.3 0.2 . 1 . . . . . 181 . . . 6182 1 845 . 1 1 181 181 GLN H H 1 8.68 0.01 . 1 . . . . . 181 . . . 6182 1 846 . 1 1 181 181 GLN CA C 13 56.0 0.1 . 1 . . . . . 181 . . . 6182 1 847 . 1 1 181 181 GLN CB C 13 29.4 0.1 . 1 . . . . . 181 . . . 6182 1 848 . 1 1 181 181 GLN C C 13 175.5 0.1 . 1 . . . . . 181 . . . 6182 1 849 . 1 1 182 182 PHE N N 15 120.1 0.2 . 1 . . . . . 182 . . . 6182 1 850 . 1 1 182 182 PHE H H 1 8.12 0.01 . 1 . . . . . 182 . . . 6182 1 851 . 1 1 182 182 PHE CA C 13 57.4 0.1 . 1 . . . . . 182 . . . 6182 1 852 . 1 1 182 182 PHE CB C 13 39.7 0.1 . 1 . . . . . 182 . . . 6182 1 853 . 1 1 182 182 PHE C C 13 175.4 0.1 . 1 . . . . . 182 . . . 6182 1 854 . 1 1 183 183 GLU N N 15 122.5 0.2 . 1 . . . . . 183 . . . 6182 1 855 . 1 1 183 183 GLU H H 1 8.26 0.01 . 1 . . . . . 183 . . . 6182 1 856 . 1 1 183 183 GLU CA C 13 56.5 0.1 . 1 . . . . . 183 . . . 6182 1 857 . 1 1 183 183 GLU CB C 13 30.7 0.1 . 1 . . . . . 183 . . . 6182 1 858 . 1 1 183 183 GLU C C 13 175.0 0.1 . 1 . . . . . 183 . . . 6182 1 859 . 1 1 184 184 LYS N N 15 127.1 0.2 . 1 . . . . . 184 . . . 6182 1 860 . 1 1 184 184 LYS H H 1 7.87 0.01 . 1 . . . . . 184 . . . 6182 1 861 . 1 1 184 184 LYS CA C 13 57.7 0.1 . 1 . . . . . 184 . . . 6182 1 862 . 1 1 184 184 LYS CB C 13 33.8 0.1 . 1 . . . . . 184 . . . 6182 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_1 _Heteronucl_NOE_list.Entry_ID 6182 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 7 15N{1H}-NOE 2 $sample_50%_2H_U-15N_FluA(R95K) . 6182 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 VAL N N 15 . 1 1 2 2 VAL H H 1 0.734 0.1065 . . . . . . . . . . 6182 1 2 . 1 1 3 3 TYR N N 15 . 1 1 3 3 TYR H H 1 0.9108 0.0999 . . . . . . . . . . 6182 1 3 . 1 1 4 4 HIS N N 15 . 1 1 4 4 HIS H H 1 0.7945 0.0695 . . . . . . . . . . 6182 1 4 . 1 1 5 5 ASP N N 15 . 1 1 5 5 ASP H H 1 0.8009 0.101 . . . . . . . . . . 6182 1 5 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.768 0.0738 . . . . . . . . . . 6182 1 6 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.7547 0.1834 . . . . . . . . . . 6182 1 7 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 0.9073 0.1514 . . . . . . . . . . 6182 1 8 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.6285 0.0523 . . . . . . . . . . 6182 1 9 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 0.4917 0.0835 . . . . . . . . . . 6182 1 10 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.7135 0.0729 . . . . . . . . . . 6182 1 11 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.8421 0.0664 . . . . . . . . . . 6182 1 12 . 1 1 15 15 ASP N N 15 . 1 1 15 15 ASP H H 1 0.85 0.0999 . . . . . . . . . . 6182 1 13 . 1 1 16 16 ASN N N 15 . 1 1 16 16 ASN H H 1 0.7498 0.0632 . . . . . . . . . . 6182 1 14 . 1 1 17 17 PHE N N 15 . 1 1 17 17 PHE H H 1 0.821 0.0941 . . . . . . . . . . 6182 1 15 . 1 1 18 18 ASP N N 15 . 1 1 18 18 ASP H H 1 0.9025 0.0719 . . . . . . . . . . 6182 1 16 . 1 1 19 19 TRP N N 15 . 1 1 19 19 TRP H H 1 0.732 0.1059 . . . . . . . . . . 6182 1 17 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.7915 0.0969 . . . . . . . . . . 6182 1 18 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.824 0.0868 . . . . . . . . . . 6182 1 19 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8514 0.0776 . . . . . . . . . . 6182 1 20 . 1 1 23 23 HIS N N 15 . 1 1 23 23 HIS H H 1 0.7762 0.1802 . . . . . . . . . . 6182 1 21 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.8718 0.1287 . . . . . . . . . . 6182 1 22 . 1 1 27 27 TRP N N 15 . 1 1 27 27 TRP H H 1 0.8689 0.1157 . . . . . . . . . . 6182 1 23 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 0.8763 0.1036 . . . . . . . . . . 6182 1 24 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 1.0968 0.1387 . . . . . . . . . . 6182 1 25 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.8453 0.1513 . . . . . . . . . . 6182 1 26 . 1 1 32 32 TYR N N 15 . 1 1 32 32 TYR H H 1 0.8673 0.0859 . . . . . . . . . . 6182 1 27 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.9863 0.1414 . . . . . . . . . . 6182 1 28 . 1 1 36 36 ASN N N 15 . 1 1 36 36 ASN H H 1 0.7928 0.5113 . . . . . . . . . . 6182 1 29 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.6427 0.089 . . . . . . . . . . 6182 1 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.7534 0.0774 . . . . . . . . . . 6182 1 31 . 1 1 39 39 TYR N N 15 . 1 1 39 39 TYR H H 1 0.8406 0.2103 . . . . . . . . . . 6182 1 32 . 1 1 40 40 GLY N N 15 . 1 1 40 40 GLY H H 1 0.7262 0.0909 . . . . . . . . . . 6182 1 33 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.819 0.2068 . . . . . . . . . . 6182 1 34 . 1 1 42 42 CYS N N 15 . 1 1 42 42 CYS H H 1 0.8655 0.1416 . . . . . . . . . . 6182 1 35 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.8725 0.0664 . . . . . . . . . . 6182 1 36 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.8931 0.1244 . . . . . . . . . . 6182 1 37 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.8543 0.151 . . . . . . . . . . 6182 1 38 . 1 1 47 47 TYR N N 15 . 1 1 47 47 TYR H H 1 0.7698 0.0988 . . . . . . . . . . 6182 1 39 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.7279 0.0755 . . . . . . . . . . 6182 1 40 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.275 0.1445 . . . . . . . . . . 6182 1 41 . 1 1 52 52 LYS N N 15 . 1 1 52 52 LYS H H 1 0.6342 0.2705 . . . . . . . . . . 6182 1 42 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.6737 0.0648 . . . . . . . . . . 6182 1 43 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.8469 0.1048 . . . . . . . . . . 6182 1 44 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.918 0.0671 . . . . . . . . . . 6182 1 45 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.8892 0.0547 . . . . . . . . . . 6182 1 46 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.7938 0.0849 . . . . . . . . . . 6182 1 47 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 1.0453 0.1988 . . . . . . . . . . 6182 1 48 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.7813 0.3029 . . . . . . . . . . 6182 1 49 . 1 1 63 63 HIS N N 15 . 1 1 63 63 HIS H H 1 0.7807 0.3275 . . . . . . . . . . 6182 1 50 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.8155 0.1011 . . . . . . . . . . 6182 1 51 . 1 1 65 65 LYS N N 15 . 1 1 65 65 LYS H H 1 0.8684 0.172 . . . . . . . . . . 6182 1 52 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.8533 0.1846 . . . . . . . . . . 6182 1 53 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.7352 0.2964 . . . . . . . . . . 6182 1 54 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.6272 0.1467 . . . . . . . . . . 6182 1 55 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.7113 0.1719 . . . . . . . . . . 6182 1 56 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.7946 0.1276 . . . . . . . . . . 6182 1 57 . 1 1 72 72 THR N N 15 . 1 1 72 72 THR H H 1 0.8762 0.0879 . . . . . . . . . . 6182 1 58 . 1 1 73 73 ALA N N 15 . 1 1 73 73 ALA H H 1 0.8119 0.1067 . . . . . . . . . . 6182 1 59 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.8145 0.1244 . . . . . . . . . . 6182 1 60 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.888 0.1013 . . . . . . . . . . 6182 1 61 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.8495 0.0653 . . . . . . . . . . 6182 1 62 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.8308 0.077 . . . . . . . . . . 6182 1 63 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.8453 0.0999 . . . . . . . . . . 6182 1 64 . 1 1 80 80 LYS N N 15 . 1 1 80 80 LYS H H 1 0.8453 0.118 . . . . . . . . . . 6182 1 65 . 1 1 81 81 ILE N N 15 . 1 1 81 81 ILE H H 1 0.9684 0.0432 . . . . . . . . . . 6182 1 66 . 1 1 82 82 GLY N N 15 . 1 1 82 82 GLY H H 1 0.849 0.066 . . . . . . . . . . 6182 1 67 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.8104 0.1152 . . . . . . . . . . 6182 1 68 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 0.8106 0.0758 . . . . . . . . . . 6182 1 69 . 1 1 85 85 TYR N N 15 . 1 1 85 85 TYR H H 1 0.9146 0.1266 . . . . . . . . . . 6182 1 70 . 1 1 86 86 HIS N N 15 . 1 1 86 86 HIS H H 1 0.8317 0.0921 . . . . . . . . . . 6182 1 71 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.7225 0.113 . . . . . . . . . . 6182 1 72 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.8298 0.1043 . . . . . . . . . . 6182 1 73 . 1 1 89 89 THR N N 15 . 1 1 89 89 THR H H 1 0.7397 0.1195 . . . . . . . . . . 6182 1 74 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.5101 0.0637 . . . . . . . . . . 6182 1 75 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.5077 0.2757 . . . . . . . . . . 6182 1 76 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY H H 1 0.6778 0.0761 . . . . . . . . . . 6182 1 77 . 1 1 93 93 TYR N N 15 . 1 1 93 93 TYR H H 1 0.5768 0.0683 . . . . . . . . . . 6182 1 78 . 1 1 94 94 THR N N 15 . 1 1 94 94 THR H H 1 0.6559 0.0716 . . . . . . . . . . 6182 1 79 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.6205 0.0763 . . . . . . . . . . 6182 1 80 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 0.7962 0.0437 . . . . . . . . . . 6182 1 81 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 0.7779 0.1135 . . . . . . . . . . 6182 1 82 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.8371 0.1255 . . . . . . . . . . 6182 1 83 . 1 1 99 99 PHE N N 15 . 1 1 99 99 PHE H H 1 0.8035 0.0995 . . . . . . . . . . 6182 1 84 . 1 1 100 100 ASN N N 15 . 1 1 100 100 ASN H H 1 0.8499 0.0831 . . . . . . . . . . 6182 1 85 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.8754 0.115 . . . . . . . . . . 6182 1 86 . 1 1 102 102 LEU N N 15 . 1 1 102 102 LEU H H 1 0.8422 0.1346 . . . . . . . . . . 6182 1 87 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.8939 0.0618 . . . . . . . . . . 6182 1 88 . 1 1 104 104 THR N N 15 . 1 1 104 104 THR H H 1 0.8559 0.09 . . . . . . . . . . 6182 1 89 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.923 0.0734 . . . . . . . . . . 6182 1 90 . 1 1 106 106 ASN N N 15 . 1 1 106 106 ASN H H 1 0.7294 0.0723 . . . . . . . . . . 6182 1 91 . 1 1 107 107 LYS N N 15 . 1 1 107 107 LYS H H 1 0.6192 0.0693 . . . . . . . . . . 6182 1 92 . 1 1 108 108 ASN N N 15 . 1 1 108 108 ASN H H 1 0.9851 0.164 . . . . . . . . . . 6182 1 93 . 1 1 109 109 TYR N N 15 . 1 1 109 109 TYR H H 1 0.8777 0.1632 . . . . . . . . . . 6182 1 94 . 1 1 110 110 ILE N N 15 . 1 1 110 110 ILE H H 1 0.7998 0.0704 . . . . . . . . . . 6182 1 95 . 1 1 111 111 ILE N N 15 . 1 1 111 111 ILE H H 1 0.8928 0.0926 . . . . . . . . . . 6182 1 96 . 1 1 112 112 GLY N N 15 . 1 1 112 112 GLY H H 1 0.9149 0.1477 . . . . . . . . . . 6182 1 97 . 1 1 113 113 TYR N N 15 . 1 1 113 113 TYR H H 1 0.8301 0.0784 . . . . . . . . . . 6182 1 98 . 1 1 114 114 SER N N 15 . 1 1 114 114 SER H H 1 0.9111 0.1041 . . . . . . . . . . 6182 1 99 . 1 1 116 116 ARG N N 15 . 1 1 116 116 ARG H H 1 0.8642 0.0759 . . . . . . . . . . 6182 1 100 . 1 1 117 117 TYR N N 15 . 1 1 117 117 TYR H H 1 0.8303 0.0888 . . . . . . . . . . 6182 1 101 . 1 1 119 119 GLU N N 15 . 1 1 119 119 GLU H H 1 0.6814 0.0664 . . . . . . . . . . 6182 1 102 . 1 1 120 120 ASP N N 15 . 1 1 120 120 ASP H H 1 0.6099 0.156 . . . . . . . . . . 6182 1 103 . 1 1 121 121 LYS N N 15 . 1 1 121 121 LYS H H 1 0.7633 0.0941 . . . . . . . . . . 6182 1 104 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.6829 0.1911 . . . . . . . . . . 6182 1 105 . 1 1 125 125 TRP N N 15 . 1 1 125 125 TRP H H 1 0.8046 0.2184 . . . . . . . . . . 6182 1 106 . 1 1 126 126 ASP N N 15 . 1 1 126 126 ASP H H 1 0.9065 0.1072 . . . . . . . . . . 6182 1 107 . 1 1 127 127 HIS N N 15 . 1 1 127 127 HIS H H 1 0.8962 0.1094 . . . . . . . . . . 6182 1 108 . 1 1 129 129 TRP N N 15 . 1 1 129 129 TRP H H 1 0.8405 0.0628 . . . . . . . . . . 6182 1 109 . 1 1 130 130 VAL N N 15 . 1 1 130 130 VAL H H 1 0.8496 0.1113 . . . . . . . . . . 6182 1 110 . 1 1 131 131 LEU N N 15 . 1 1 131 131 LEU H H 1 0.8375 0.0907 . . . . . . . . . . 6182 1 111 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.8808 0.0947 . . . . . . . . . . 6182 1 112 . 1 1 133 133 ARG N N 15 . 1 1 133 133 ARG H H 1 0.9236 0.1519 . . . . . . . . . . 6182 1 113 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.9272 0.1296 . . . . . . . . . . 6182 1 114 . 1 1 135 135 MET N N 15 . 1 1 135 135 MET H H 1 0.6898 0.2891 . . . . . . . . . . 6182 1 115 . 1 1 136 136 VAL N N 15 . 1 1 136 136 VAL H H 1 0.9366 0.0784 . . . . . . . . . . 6182 1 116 . 1 1 137 137 LEU N N 15 . 1 1 137 137 LEU H H 1 0.7206 0.0662 . . . . . . . . . . 6182 1 117 . 1 1 139 139 GLY N N 15 . 1 1 139 139 GLY H H 1 0.769 0.0598 . . . . . . . . . . 6182 1 118 . 1 1 140 140 GLU N N 15 . 1 1 140 140 GLU H H 1 0.8323 0.1017 . . . . . . . . . . 6182 1 119 . 1 1 141 141 ALA N N 15 . 1 1 141 141 ALA H H 1 0.5538 0.082 . . . . . . . . . . 6182 1 120 . 1 1 142 142 LYS N N 15 . 1 1 142 142 LYS H H 1 0.8927 0.0636 . . . . . . . . . . 6182 1 121 . 1 1 143 143 THR N N 15 . 1 1 143 143 THR H H 1 0.8288 0.0538 . . . . . . . . . . 6182 1 122 . 1 1 144 144 ALA N N 15 . 1 1 144 144 ALA H H 1 0.8312 0.0625 . . . . . . . . . . 6182 1 123 . 1 1 145 145 VAL N N 15 . 1 1 145 145 VAL H H 1 0.8073 0.1006 . . . . . . . . . . 6182 1 124 . 1 1 146 146 GLU N N 15 . 1 1 146 146 GLU H H 1 0.8481 0.0936 . . . . . . . . . . 6182 1 125 . 1 1 148 148 TYR N N 15 . 1 1 148 148 TYR H H 1 0.7565 0.0826 . . . . . . . . . . 6182 1 126 . 1 1 149 149 LEU N N 15 . 1 1 149 149 LEU H H 1 0.815 0.1114 . . . . . . . . . . 6182 1 127 . 1 1 151 151 GLY N N 15 . 1 1 151 151 GLY H H 1 0.7656 0.0538 . . . . . . . . . . 6182 1 128 . 1 1 152 152 SER N N 15 . 1 1 152 152 SER H H 1 0.817 0.0567 . . . . . . . . . . 6182 1 129 . 1 1 154 154 VAL N N 15 . 1 1 154 154 VAL H H 1 0.7019 0.0678 . . . . . . . . . . 6182 1 130 . 1 1 155 155 VAL N N 15 . 1 1 155 155 VAL H H 1 0.5907 0.0724 . . . . . . . . . . 6182 1 131 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 0.7942 0.0945 . . . . . . . . . . 6182 1 132 . 1 1 157 157 SER N N 15 . 1 1 157 157 SER H H 1 0.7859 0.0682 . . . . . . . . . . 6182 1 133 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 0.73 0.0631 . . . . . . . . . . 6182 1 134 . 1 1 159 159 LYS N N 15 . 1 1 159 159 LYS H H 1 0.9384 0.0544 . . . . . . . . . . 6182 1 135 . 1 1 160 160 LEU N N 15 . 1 1 160 160 LEU H H 1 0.7844 0.0759 . . . . . . . . . . 6182 1 136 . 1 1 163 163 SER N N 15 . 1 1 163 163 SER H H 1 0.9871 0.1235 . . . . . . . . . . 6182 1 137 . 1 1 164 164 ASP N N 15 . 1 1 164 164 ASP H H 1 0.6082 0.2111 . . . . . . . . . . 6182 1 138 . 1 1 165 165 PHE N N 15 . 1 1 165 165 PHE H H 1 0.684 0.1368 . . . . . . . . . . 6182 1 139 . 1 1 166 166 SER N N 15 . 1 1 166 166 SER H H 1 0.8289 0.0663 . . . . . . . . . . 6182 1 140 . 1 1 167 167 GLU N N 15 . 1 1 167 167 GLU H H 1 0.832 0.082 . . . . . . . . . . 6182 1 141 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.7955 0.1129 . . . . . . . . . . 6182 1 142 . 1 1 169 169 ALA N N 15 . 1 1 169 169 ALA H H 1 0.9099 0.1614 . . . . . . . . . . 6182 1 143 . 1 1 171 171 LYS N N 15 . 1 1 171 171 LYS H H 1 0.7822 0.0638 . . . . . . . . . . 6182 1 144 . 1 1 172 172 VAL N N 15 . 1 1 172 172 VAL H H 1 0.7483 0.2584 . . . . . . . . . . 6182 1 145 . 1 1 173 173 ASN N N 15 . 1 1 173 173 ASN H H 1 0.614 0.1606 . . . . . . . . . . 6182 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 6182 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 8 '15N T1' 2 $sample_50%_2H_U-15N_FluA(R95K) . 6182 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 VAL N N 15 0.7327 0.0958 . . . . . 6182 1 2 . 1 1 3 3 TYR N N 15 1.0366 0.0711 . . . . . 6182 1 3 . 1 1 4 4 HIS N N 15 0.9662 0.0692 . . . . . 6182 1 4 . 1 1 5 5 ASP N N 15 0.9593 0.0525 . . . . . 6182 1 5 . 1 1 6 6 GLY N N 15 0.9906 0.0541 . . . . . 6182 1 6 . 1 1 7 7 ALA N N 15 0.9874 0.1341 . . . . . 6182 1 7 . 1 1 8 8 CYS N N 15 1.0044 0.1112 . . . . . 6182 1 8 . 1 1 10 10 GLU N N 15 1.0154 0.0338 . . . . . 6182 1 9 . 1 1 11 11 VAL N N 15 1.1860 0.0475 . . . . . 6182 1 10 . 1 1 12 12 LYS N N 15 1.0305 0.0406 . . . . . 6182 1 11 . 1 1 14 14 VAL N N 15 1.1270 0.0553 . . . . . 6182 1 12 . 1 1 15 15 ASP N N 15 0.9915 0.0666 . . . . . 6182 1 13 . 1 1 16 16 ASN N N 15 1.0078 0.0516 . . . . . 6182 1 14 . 1 1 17 17 PHE N N 15 0.9970 0.0701 . . . . . 6182 1 15 . 1 1 18 18 ASP N N 15 1.0186 0.0621 . . . . . 6182 1 16 . 1 1 19 19 TRP N N 15 0.9434 0.0796 . . . . . 6182 1 17 . 1 1 20 20 SER N N 15 0.9754 0.0892 . . . . . 6182 1 18 . 1 1 21 21 GLN N N 15 1.0337 0.0809 . . . . . 6182 1 19 . 1 1 22 22 TYR N N 15 1.0987 0.0738 . . . . . 6182 1 20 . 1 1 23 23 HIS N N 15 0.9721 0.1483 . . . . . 6182 1 21 . 1 1 25 25 LYS N N 15 0.9788 0.0565 . . . . . 6182 1 22 . 1 1 27 27 TRP N N 15 1.2197 0.2846 . . . . . 6182 1 23 . 1 1 28 28 GLU N N 15 0.9459 0.1041 . . . . . 6182 1 24 . 1 1 29 29 VAL N N 15 0.9207 0.0635 . . . . . 6182 1 25 . 1 1 30 30 ALA N N 15 0.9120 0.0679 . . . . . 6182 1 26 . 1 1 32 32 TYR N N 15 0.9545 0.0666 . . . . . 6182 1 27 . 1 1 34 34 SER N N 15 1.1621 0.1247 . . . . . 6182 1 28 . 1 1 36 36 ASN N N 15 1.1988 0.5531 . . . . . 6182 1 29 . 1 1 37 37 GLY N N 15 1.0269 0.0853 . . . . . 6182 1 30 . 1 1 38 38 LYS N N 15 0.9264 0.0507 . . . . . 6182 1 31 . 1 1 39 39 TYR N N 15 0.9866 0.0843 . . . . . 6182 1 32 . 1 1 40 40 GLY N N 15 0.9922 0.0779 . . . . . 6182 1 33 . 1 1 41 41 LYS N N 15 1.0292 0.0861 . . . . . 6182 1 34 . 1 1 42 42 CYS N N 15 0.8785 0.1220 . . . . . 6182 1 35 . 1 1 43 43 GLY N N 15 0.9141 0.2741 . . . . . 6182 1 36 . 1 1 45 45 ALA N N 15 0.9214 0.0739 . . . . . 6182 1 37 . 1 1 46 46 GLU N N 15 1.1925 0.1857 . . . . . 6182 1 38 . 1 1 47 47 TYR N N 15 1.0079 0.1117 . . . . . 6182 1 39 . 1 1 50 50 GLU N N 15 1.0892 0.0534 . . . . . 6182 1 40 . 1 1 51 51 GLY N N 15 1.0268 0.0659 . . . . . 6182 1 41 . 1 1 52 52 LYS N N 15 0.9351 0.3093 . . . . . 6182 1 42 . 1 1 53 53 SER N N 15 1.0462 0.0442 . . . . . 6182 1 43 . 1 1 54 54 VAL N N 15 1.1183 0.0872 . . . . . 6182 1 44 . 1 1 55 55 LYS N N 15 1.0077 0.0379 . . . . . 6182 1 45 . 1 1 56 56 VAL N N 15 0.8699 0.0344 . . . . . 6182 1 46 . 1 1 57 57 SER N N 15 0.9543 0.0486 . . . . . 6182 1 47 . 1 1 59 59 TYR N N 15 0.9211 0.1997 . . . . . 6182 1 48 . 1 1 60 60 ASP N N 15 0.8110 0.2163 . . . . . 6182 1 49 . 1 1 63 63 HIS N N 15 0.2306 0.2048 . . . . . 6182 1 50 . 1 1 64 64 GLY N N 15 0.9737 0.0571 . . . . . 6182 1 51 . 1 1 65 65 LYS N N 15 0.9515 0.0904 . . . . . 6182 1 52 . 1 1 66 66 GLU N N 15 1.0133 0.0670 . . . . . 6182 1 53 . 1 1 67 67 TYR N N 15 0.8721 0.1444 . . . . . 6182 1 54 . 1 1 68 68 PHE N N 15 0.8430 0.0633 . . . . . 6182 1 55 . 1 1 70 70 GLU N N 15 1.0638 0.1418 . . . . . 6182 1 56 . 1 1 71 71 GLY N N 15 1.0825 0.1349 . . . . . 6182 1 57 . 1 1 72 72 THR N N 15 1.0299 0.0682 . . . . . 6182 1 58 . 1 1 73 73 ALA N N 15 0.9547 0.0668 . . . . . 6182 1 59 . 1 1 74 74 TYR N N 15 0.9244 0.0781 . . . . . 6182 1 60 . 1 1 76 76 VAL N N 15 0.9222 0.0660 . . . . . 6182 1 61 . 1 1 77 77 GLY N N 15 0.9683 0.0495 . . . . . 6182 1 62 . 1 1 78 78 ASP N N 15 1.1427 0.0874 . . . . . 6182 1 63 . 1 1 79 79 SER N N 15 0.9657 0.0671 . . . . . 6182 1 64 . 1 1 80 80 LYS N N 15 1.0269 0.0934 . . . . . 6182 1 65 . 1 1 81 81 ILE N N 15 0.9479 0.0311 . . . . . 6182 1 66 . 1 1 82 82 GLY N N 15 1.0169 0.0544 . . . . . 6182 1 67 . 1 1 83 83 LYS N N 15 0.9937 0.0677 . . . . . 6182 1 68 . 1 1 84 84 ILE N N 15 1.0771 0.0668 . . . . . 6182 1 69 . 1 1 85 85 TYR N N 15 1.0386 0.0875 . . . . . 6182 1 70 . 1 1 86 86 HIS N N 15 1.0116 0.0850 . . . . . 6182 1 71 . 1 1 87 87 SER N N 15 0.8949 0.0625 . . . . . 6182 1 72 . 1 1 88 88 ARG N N 15 0.9411 0.0693 . . . . . 6182 1 73 . 1 1 89 89 THR N N 15 0.9552 0.0804 . . . . . 6182 1 74 . 1 1 90 90 VAL N N 15 0.9838 0.0334 . . . . . 6182 1 75 . 1 1 91 91 GLY N N 15 0.8232 0.3856 . . . . . 6182 1 76 . 1 1 92 92 GLY N N 15 0.8906 0.0527 . . . . . 6182 1 77 . 1 1 93 93 TYR N N 15 0.9606 0.0387 . . . . . 6182 1 78 . 1 1 94 94 THR N N 15 1.0268 0.0474 . . . . . 6182 1 79 . 1 1 95 95 LYS N N 15 1.0535 0.0507 . . . . . 6182 1 80 . 1 1 96 96 LYS N N 15 1.0356 0.0327 . . . . . 6182 1 81 . 1 1 97 97 THR N N 15 0.9794 0.1150 . . . . . 6182 1 82 . 1 1 98 98 VAL N N 15 0.9931 0.0606 . . . . . 6182 1 83 . 1 1 99 99 PHE N N 15 0.9423 0.0640 . . . . . 6182 1 84 . 1 1 100 100 ASN N N 15 1.0087 0.0743 . . . . . 6182 1 85 . 1 1 101 101 VAL N N 15 1.0382 0.0643 . . . . . 6182 1 86 . 1 1 102 102 LEU N N 15 0.9822 0.0964 . . . . . 6182 1 87 . 1 1 103 103 SER N N 15 1.0561 0.0570 . . . . . 6182 1 88 . 1 1 104 104 THR N N 15 0.9666 0.0527 . . . . . 6182 1 89 . 1 1 105 105 ASP N N 15 1.1310 0.0810 . . . . . 6182 1 90 . 1 1 106 106 ASN N N 15 0.9577 0.0719 . . . . . 6182 1 91 . 1 1 107 107 LYS N N 15 0.9594 0.0517 . . . . . 6182 1 92 . 1 1 108 108 ASN N N 15 1.0689 0.1201 . . . . . 6182 1 93 . 1 1 109 109 TYR N N 15 0.9936 0.1066 . . . . . 6182 1 94 . 1 1 110 110 ILE N N 15 1.0481 0.0801 . . . . . 6182 1 95 . 1 1 111 111 ILE N N 15 0.9226 0.2245 . . . . . 6182 1 96 . 1 1 112 112 GLY N N 15 1.0073 0.0958 . . . . . 6182 1 97 . 1 1 113 113 TYR N N 15 1.0251 0.0635 . . . . . 6182 1 98 . 1 1 114 114 SER N N 15 0.9614 0.0687 . . . . . 6182 1 99 . 1 1 116 116 ARG N N 15 0.9639 0.0630 . . . . . 6182 1 100 . 1 1 117 117 TYR N N 15 0.9412 0.0630 . . . . . 6182 1 101 . 1 1 119 119 GLU N N 15 1.0086 0.0401 . . . . . 6182 1 102 . 1 1 120 120 ASP N N 15 1.0017 0.0982 . . . . . 6182 1 103 . 1 1 121 121 LYS N N 15 0.9857 0.0604 . . . . . 6182 1 104 . 1 1 123 123 GLY N N 15 1.0452 0.2050 . . . . . 6182 1 105 . 1 1 125 125 TRP N N 15 1.0734 0.2054 . . . . . 6182 1 106 . 1 1 126 126 ASP N N 15 0.9979 0.0933 . . . . . 6182 1 107 . 1 1 127 127 HIS N N 15 1.0335 0.0948 . . . . . 6182 1 108 . 1 1 129 129 TRP N N 15 0.9923 0.0651 . . . . . 6182 1 109 . 1 1 130 130 VAL N N 15 1.1313 0.1239 . . . . . 6182 1 110 . 1 1 131 131 LEU N N 15 1.0547 0.0839 . . . . . 6182 1 111 . 1 1 132 132 SER N N 15 1.0321 0.0816 . . . . . 6182 1 112 . 1 1 133 133 ARG N N 15 1.0332 0.0834 . . . . . 6182 1 113 . 1 1 134 134 SER N N 15 1.0188 0.0831 . . . . . 6182 1 114 . 1 1 135 135 MET N N 15 0.9189 0.2180 . . . . . 6182 1 115 . 1 1 136 136 VAL N N 15 1.0002 0.0409 . . . . . 6182 1 116 . 1 1 137 137 LEU N N 15 1.0088 0.0362 . . . . . 6182 1 117 . 1 1 139 139 GLY N N 15 0.8089 0.0421 . . . . . 6182 1 118 . 1 1 140 140 GLU N N 15 0.9443 0.0729 . . . . . 6182 1 119 . 1 1 141 141 ALA N N 15 0.9606 0.0546 . . . . . 6182 1 120 . 1 1 142 142 LYS N N 15 0.9815 0.0431 . . . . . 6182 1 121 . 1 1 143 143 THR N N 15 0.9626 0.0341 . . . . . 6182 1 122 . 1 1 144 144 ALA N N 15 0.9544 0.0383 . . . . . 6182 1 123 . 1 1 145 145 VAL N N 15 1.0677 0.0632 . . . . . 6182 1 124 . 1 1 146 146 GLU N N 15 1.0202 0.0602 . . . . . 6182 1 125 . 1 1 148 148 TYR N N 15 0.9933 0.0531 . . . . . 6182 1 126 . 1 1 149 149 LEU N N 15 0.9988 0.0737 . . . . . 6182 1 127 . 1 1 151 151 GLY N N 15 1.0190 0.0376 . . . . . 6182 1 128 . 1 1 152 152 SER N N 15 1.1223 0.0428 . . . . . 6182 1 129 . 1 1 154 154 VAL N N 15 0.9878 0.0553 . . . . . 6182 1 130 . 1 1 155 155 VAL N N 15 1.0057 0.0569 . . . . . 6182 1 131 . 1 1 156 156 ASP N N 15 1.0489 0.0702 . . . . . 6182 1 132 . 1 1 157 157 SER N N 15 1.0610 0.0532 . . . . . 6182 1 133 . 1 1 158 158 GLN N N 15 0.9142 0.0328 . . . . . 6182 1 134 . 1 1 159 159 LYS N N 15 1.0333 0.0424 . . . . . 6182 1 135 . 1 1 160 160 LEU N N 15 1.0643 0.0618 . . . . . 6182 1 136 . 1 1 163 163 SER N N 15 0.9659 0.0803 . . . . . 6182 1 137 . 1 1 164 164 ASP N N 15 0.7988 0.1234 . . . . . 6182 1 138 . 1 1 165 165 PHE N N 15 0.8788 0.0948 . . . . . 6182 1 139 . 1 1 166 166 SER N N 15 1.0474 0.0549 . . . . . 6182 1 140 . 1 1 167 167 GLU N N 15 0.8913 0.0424 . . . . . 6182 1 141 . 1 1 168 168 ALA N N 15 1.0038 0.0809 . . . . . 6182 1 142 . 1 1 169 169 ALA N N 15 0.9809 0.0638 . . . . . 6182 1 143 . 1 1 171 171 LYS N N 15 0.9742 0.0394 . . . . . 6182 1 144 . 1 1 172 172 VAL N N 15 0.8940 0.0799 . . . . . 6182 1 145 . 1 1 173 173 ASN N N 15 0.8444 0.0616 . . . . . 6182 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 6182 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $Ex-cond_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 9 '15N T2' 2 $sample_50%_2H_U-15N_FluA(R95K) . 6182 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 VAL N N 15 0.0323 0.0045 . . . . . . . 6182 1 2 . 1 1 3 3 TYR N N 15 0.0572 0.0046 . . . . . . . 6182 1 3 . 1 1 4 4 HIS N N 15 0.0597 0.0046 . . . . . . . 6182 1 4 . 1 1 5 5 ASP N N 15 0.0640 0.0038 . . . . . . . 6182 1 5 . 1 1 6 6 GLY N N 15 0.0585 0.0038 . . . . . . . 6182 1 6 . 1 1 7 7 ALA N N 15 0.0400 0.0069 . . . . . . . 6182 1 7 . 1 1 8 8 CYS N N 15 0.0595 0.0080 . . . . . . . 6182 1 8 . 1 1 10 10 GLU N N 15 0.0704 0.0026 . . . . . . . 6182 1 9 . 1 1 11 11 VAL N N 15 0.0851 0.0038 . . . . . . . 6182 1 10 . 1 1 12 12 LYS N N 15 0.0760 0.0033 . . . . . . . 6182 1 11 . 1 1 14 14 VAL N N 15 0.0594 0.0029 . . . . . . . 6182 1 12 . 1 1 15 15 ASP N N 15 0.0652 0.0045 . . . . . . . 6182 1 13 . 1 1 16 16 ASN N N 15 0.0630 0.0035 . . . . . . . 6182 1 14 . 1 1 17 17 PHE N N 15 0.0578 0.0045 . . . . . . . 6182 1 15 . 1 1 18 18 ASP N N 15 0.0660 0.0036 . . . . . . . 6182 1 16 . 1 1 19 19 TRP N N 15 0.0539 0.0045 . . . . . . . 6182 1 17 . 1 1 20 20 SER N N 15 0.0373 0.0034 . . . . . . . 6182 1 18 . 1 1 21 21 GLN N N 15 0.0503 0.0031 . . . . . . . 6182 1 19 . 1 1 22 22 TYR N N 15 0.0584 0.0034 . . . . . . . 6182 1 20 . 1 1 23 23 HIS N N 15 0.0603 0.0086 . . . . . . . 6182 1 21 . 1 1 25 25 LYS N N 15 0.0634 0.0039 . . . . . . . 6182 1 22 . 1 1 27 27 TRP N N 15 0.0778 0.0206 . . . . . . . 6182 1 23 . 1 1 28 28 GLU N N 15 0.0627 0.0082 . . . . . . . 6182 1 24 . 1 1 29 29 VAL N N 15 0.0550 0.0044 . . . . . . . 6182 1 25 . 1 1 30 30 ALA N N 15 0.0598 0.0049 . . . . . . . 6182 1 26 . 1 1 32 32 TYR N N 15 0.0661 0.0055 . . . . . . . 6182 1 27 . 1 1 34 34 SER N N 15 0.0595 0.0066 . . . . . . . 6182 1 28 . 1 1 36 36 ASN N N 15 0.0663 0.0246 . . . . . . . 6182 1 29 . 1 1 37 37 GLY N N 15 0.0649 0.0054 . . . . . . . 6182 1 30 . 1 1 38 38 LYS N N 15 0.0625 0.0042 . . . . . . . 6182 1 31 . 1 1 39 39 TYR N N 15 0.0676 0.0060 . . . . . . . 6182 1 32 . 1 1 40 40 GLY N N 15 0.0635 0.0052 . . . . . . . 6182 1 33 . 1 1 41 41 LYS N N 15 0.0578 0.0057 . . . . . . . 6182 1 34 . 1 1 42 42 CYS N N 15 0.0370 0.0069 . . . . . . . 6182 1 35 . 1 1 43 43 GLY N N 15 0.0403 0.0127 . . . . . . . 6182 1 36 . 1 1 45 45 ALA N N 15 0.0529 0.0040 . . . . . . . 6182 1 37 . 1 1 46 46 GLU N N 15 0.0506 0.0079 . . . . . . . 6182 1 38 . 1 1 47 47 TYR N N 15 0.0528 0.0058 . . . . . . . 6182 1 39 . 1 1 50 50 GLU N N 15 0.0716 0.0037 . . . . . . . 6182 1 40 . 1 1 51 51 GLY N N 15 0.0865 0.0061 . . . . . . . 6182 1 41 . 1 1 52 52 LYS N N 15 0.0748 0.0263 . . . . . . . 6182 1 42 . 1 1 53 53 SER N N 15 0.0748 0.0032 . . . . . . . 6182 1 43 . 1 1 54 54 VAL N N 15 0.0533 0.0042 . . . . . . . 6182 1 44 . 1 1 55 55 LYS N N 15 0.0648 0.0027 . . . . . . . 6182 1 45 . 1 1 56 56 VAL N N 15 0.0605 0.0030 . . . . . . . 6182 1 46 . 1 1 57 57 SER N N 15 0.0618 0.0034 . . . . . . . 6182 1 47 . 1 1 59 59 TYR N N 15 0.0412 0.0092 . . . . . . . 6182 1 48 . 1 1 60 60 ASP N N 15 0.0464 0.0128 . . . . . . . 6182 1 49 . 1 1 63 63 HIS N N 15 0.0735 0.0516 . . . . . . . 6182 1 50 . 1 1 64 64 GLY N N 15 0.0625 0.0044 . . . . . . . 6182 1 51 . 1 1 65 65 LYS N N 15 0.0622 0.0054 . . . . . . . 6182 1 52 . 1 1 66 66 GLU N N 15 0.0566 0.0043 . . . . . . . 6182 1 53 . 1 1 67 67 TYR N N 15 0.0427 0.0082 . . . . . . . 6182 1 54 . 1 1 68 68 PHE N N 15 0.0878 0.0080 . . . . . . . 6182 1 55 . 1 1 70 70 GLU N N 15 0.0464 0.0061 . . . . . . . 6182 1 56 . 1 1 71 71 GLY N N 15 0.0517 0.0061 . . . . . . . 6182 1 57 . 1 1 72 72 THR N N 15 0.0627 0.0045 . . . . . . . 6182 1 58 . 1 1 73 73 ALA N N 15 0.0687 0.0061 . . . . . . . 6182 1 59 . 1 1 74 74 TYR N N 15 0.0569 0.0057 . . . . . . . 6182 1 60 . 1 1 76 76 VAL N N 15 0.0571 0.0045 . . . . . . . 6182 1 61 . 1 1 77 77 GLY N N 15 0.0701 0.0042 . . . . . . . 6182 1 62 . 1 1 78 78 ASP N N 15 0.0653 0.0053 . . . . . . . 6182 1 63 . 1 1 79 79 SER N N 15 0.0581 0.0041 . . . . . . . 6182 1 64 . 1 1 80 80 LYS N N 15 0.0574 0.0055 . . . . . . . 6182 1 65 . 1 1 81 81 ILE N N 15 0.0563 0.0019 . . . . . . . 6182 1 66 . 1 1 82 82 GLY N N 15 0.0597 0.0035 . . . . . . . 6182 1 67 . 1 1 83 83 LYS N N 15 0.0662 0.0054 . . . . . . . 6182 1 68 . 1 1 84 84 ILE N N 15 0.0613 0.0039 . . . . . . . 6182 1 69 . 1 1 85 85 TYR N N 15 0.0595 0.0056 . . . . . . . 6182 1 70 . 1 1 86 86 HIS N N 15 0.0456 0.0042 . . . . . . . 6182 1 71 . 1 1 87 87 SER N N 15 0.0502 0.0044 . . . . . . . 6182 1 72 . 1 1 88 88 ARG N N 15 0.0562 0.0041 . . . . . . . 6182 1 73 . 1 1 89 89 THR N N 15 0.0558 0.0052 . . . . . . . 6182 1 74 . 1 1 90 90 VAL N N 15 0.0817 0.0034 . . . . . . . 6182 1 75 . 1 1 91 91 GLY N N 15 0.0652 0.0351 . . . . . . . 6182 1 76 . 1 1 92 92 GLY N N 15 0.0730 0.0046 . . . . . . . 6182 1 77 . 1 1 93 93 TYR N N 15 0.0775 0.0035 . . . . . . . 6182 1 78 . 1 1 94 94 THR N N 15 0.0699 0.0035 . . . . . . . 6182 1 79 . 1 1 95 95 LYS N N 15 0.0706 0.0041 . . . . . . . 6182 1 80 . 1 1 96 96 LYS N N 15 0.0569 0.0022 . . . . . . . 6182 1 81 . 1 1 97 97 THR N N 15 0.0515 0.0065 . . . . . . . 6182 1 82 . 1 1 98 98 VAL N N 15 0.0424 0.0029 . . . . . . . 6182 1 83 . 1 1 99 99 PHE N N 15 0.0656 0.0051 . . . . . . . 6182 1 84 . 1 1 100 100 ASN N N 15 0.0607 0.0049 . . . . . . . 6182 1 85 . 1 1 101 101 VAL N N 15 0.0662 0.0047 . . . . . . . 6182 1 86 . 1 1 102 102 LEU N N 15 0.0573 0.0055 . . . . . . . 6182 1 87 . 1 1 103 103 SER N N 15 0.0658 0.0041 . . . . . . . 6182 1 88 . 1 1 104 104 THR N N 15 0.0534 0.0031 . . . . . . . 6182 1 89 . 1 1 105 105 ASP N N 15 0.0610 0.0040 . . . . . . . 6182 1 90 . 1 1 106 106 ASN N N 15 0.0597 0.0041 . . . . . . . 6182 1 91 . 1 1 107 107 LYS N N 15 0.0680 0.0033 . . . . . . . 6182 1 92 . 1 1 108 108 ASN N N 15 0.0579 0.0059 . . . . . . . 6182 1 93 . 1 1 109 109 TYR N N 15 0.0539 0.0062 . . . . . . . 6182 1 94 . 1 1 110 110 ILE N N 15 0.0575 0.0044 . . . . . . . 6182 1 95 . 1 1 111 111 ILE N N 15 0.0354 0.0127 . . . . . . . 6182 1 96 . 1 1 112 112 GLY N N 15 0.0543 0.0055 . . . . . . . 6182 1 97 . 1 1 113 113 TYR N N 15 0.0613 0.0041 . . . . . . . 6182 1 98 . 1 1 114 114 SER N N 15 0.0512 0.0038 . . . . . . . 6182 1 99 . 1 1 116 116 ARG N N 15 0.0594 0.0047 . . . . . . . 6182 1 100 . 1 1 117 117 TYR N N 15 0.0382 0.0033 . . . . . . . 6182 1 101 . 1 1 119 119 GLU N N 15 0.0665 0.0030 . . . . . . . 6182 1 102 . 1 1 120 120 ASP N N 15 0.0682 0.0081 . . . . . . . 6182 1 103 . 1 1 121 121 LYS N N 15 0.0444 0.0031 . . . . . . . 6182 1 104 . 1 1 123 123 GLY N N 15 0.0521 0.0119 . . . . . . . 6182 1 105 . 1 1 125 125 TRP N N 15 0.0725 0.0186 . . . . . . . 6182 1 106 . 1 1 126 126 ASP N N 15 0.0553 0.0054 . . . . . . . 6182 1 107 . 1 1 127 127 HIS N N 15 0.0487 0.0045 . . . . . . . 6182 1 108 . 1 1 129 129 TRP N N 15 0.0511 0.0031 . . . . . . . 6182 1 109 . 1 1 130 130 VAL N N 15 0.0476 0.0051 . . . . . . . 6182 1 110 . 1 1 131 131 LEU N N 15 0.0551 0.0046 . . . . . . . 6182 1 111 . 1 1 132 132 SER N N 15 0.0590 0.0047 . . . . . . . 6182 1 112 . 1 1 133 133 ARG N N 15 0.0598 0.0051 . . . . . . . 6182 1 113 . 1 1 134 134 SER N N 15 0.0623 0.0058 . . . . . . . 6182 1 114 . 1 1 135 135 MET N N 15 0.0584 0.0099 . . . . . . . 6182 1 115 . 1 1 136 136 VAL N N 15 0.0644 0.0029 . . . . . . . 6182 1 116 . 1 1 137 137 LEU N N 15 0.0696 0.0029 . . . . . . . 6182 1 117 . 1 1 139 139 GLY N N 15 0.0914 0.0058 . . . . . . . 6182 1 118 . 1 1 140 140 GLU N N 15 0.0553 0.0043 . . . . . . . 6182 1 119 . 1 1 141 141 ALA N N 15 0.0864 0.0055 . . . . . . . 6182 1 120 . 1 1 142 142 LYS N N 15 0.0617 0.0030 . . . . . . . 6182 1 121 . 1 1 143 143 THR N N 15 0.0658 0.0027 . . . . . . . 6182 1 122 . 1 1 144 144 ALA N N 15 0.0611 0.0026 . . . . . . . 6182 1 123 . 1 1 145 145 VAL N N 15 0.0604 0.0038 . . . . . . . 6182 1 124 . 1 1 146 146 GLU N N 15 0.0601 0.0038 . . . . . . . 6182 1 125 . 1 1 148 148 TYR N N 15 0.0612 0.0034 . . . . . . . 6182 1 126 . 1 1 149 149 LEU N N 15 0.0562 0.0046 . . . . . . . 6182 1 127 . 1 1 151 151 GLY N N 15 0.0657 0.0026 . . . . . . . 6182 1 128 . 1 1 152 152 SER N N 15 0.0676 0.0029 . . . . . . . 6182 1 129 . 1 1 154 154 VAL N N 15 0.0508 0.0034 . . . . . . . 6182 1 130 . 1 1 155 155 VAL N N 15 0.0638 0.0038 . . . . . . . 6182 1 131 . 1 1 156 156 ASP N N 15 0.0580 0.0042 . . . . . . . 6182 1 132 . 1 1 157 157 SER N N 15 0.0410 0.0025 . . . . . . . 6182 1 133 . 1 1 158 158 GLN N N 15 0.0516 0.0023 . . . . . . . 6182 1 134 . 1 1 159 159 LYS N N 15 0.0446 0.0021 . . . . . . . 6182 1 135 . 1 1 160 160 LEU N N 15 0.0492 0.0031 . . . . . . . 6182 1 136 . 1 1 163 163 SER N N 15 0.0528 0.0046 . . . . . . . 6182 1 137 . 1 1 164 164 ASP N N 15 0.0501 0.0092 . . . . . . . 6182 1 138 . 1 1 165 165 PHE N N 15 0.0442 0.0052 . . . . . . . 6182 1 139 . 1 1 166 166 SER N N 15 0.0517 0.0024 . . . . . . . 6182 1 140 . 1 1 167 167 GLU N N 15 0.0567 0.0030 . . . . . . . 6182 1 141 . 1 1 168 168 ALA N N 15 0.0561 0.0050 . . . . . . . 6182 1 142 . 1 1 169 169 ALA N N 15 0.0623 0.0043 . . . . . . . 6182 1 143 . 1 1 171 171 LYS N N 15 0.0631 0.0030 . . . . . . . 6182 1 144 . 1 1 172 172 VAL N N 15 0.0535 0.0065 . . . . . . . 6182 1 145 . 1 1 173 173 ASN N N 15 0.0525 0.0050 . . . . . . . 6182 1 stop_ save_