data_6838 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignment for PSE-4, a 29.5 kDa class A beta-lactamase from Pseudomonas aeruginosa ; _BMRB_accession_number 6838 _BMRB_flat_file_name bmr6838.str _Entry_type original _Submission_date 2008-10-08 _Accession_date 2008-10-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; This is the first chemical shift assignment for a carbenicillin-hydrolysing class A beta-lactamase. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morin Sebastien . . 2 Levesque Roger C. . 3 Gagne Stephane M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 3 T1_relaxation 3 T2_relaxation 3 H_exchange_protection_factors 1 H_exch_rates 2 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 258 "13C chemical shifts" 782 "15N chemical shifts" 258 "T1 relaxation values" 703 "T2 relaxation values" 701 "order parameters" 230 "H exchange rates" 420 "H exchange protection factors" 262 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 update BMRB 'data columns in order parameter save frame corrected to match tags' 2011-03-29 update BMRB 'order parameter save frame tau e, f, and s val units tags set to ps' 2009-06-25 update author 'update of citations' 2008-10-10 update author 'addition of many data sets' 2007-02-07 update BMRB 'complete entry citation' 2006-05-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 6024 'Another class A beta-lactamase, TEM-1 E28G' 6357 'Another class A beta-lactamase, TEM-1' stop_ save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR dynamics of PSE-4 beta-lactamase: an interplay of ps-ns order and mus-ms motions in the active site' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19486690 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morin Sebastien . . 2 Gagne Stephane M. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 96 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4681 _Page_last 4691 _Year 2009 _Details . loop_ _Keyword 'antibiotic resistance' 'backbone dynamics' 'class A beta-lactamase' 'liquid-state NMR' PSE-4 'Pseudomonas aeruginosa' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_snb _Saveframe_category citation _Citation_full ; C. Slupsky, R. Boyko, V. Booth, B. Sykes. (2003) SMARTNOTEBOOK: A semi-automated approach to protein sequential NMR resonance assignments. J. Biomol. NMR. vol 27, issue 4, 313-321. ; _Citation_title ; SMARTNOTEBOOK: A semi-automated approach to protein sequential NMR resonance assignments. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14512729 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Slupsky Carolyn M. . 2 Boyko Robert F. . 3 Booth Valerie K. . 4 Sykes Brian D. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 27 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 313 _Page_last 321 _Year 2003 _Details 'Citation for the software Smartnotebook used for assigning chemical shifts.' loop_ _Keyword 'nmr chemical shift assignment' stop_ save_ save_nmrview_1 _Saveframe_category citation _Citation_full ; B. A. Johnson and R. A. Blevins (1994) NMRView: A computer program for the visualization and analysis of NMR data. J. Biomol. NMR. vol 4, 603-614. ; _Citation_title 'NMRView: A computer program for the visualization and analysis of NMR data' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Johnson Bruce A. . 2 Blevins Richard A. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 4 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 603 _Page_last 614 _Year 1994 _Details 'Citation for the software NMRView used for picking peaks, analyze spectra and assigning chemical shifts.' loop_ _Keyword 'visualization and analysis of nmr data' stop_ save_ save_nmrpipe_1 _Saveframe_category citation _Citation_full ; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax (1995) NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. vol 6, 277-293. ; _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio Frank . . 2 Grzesiek Stephan . . 3 Vuister Geerten W. . 4 Zhu Guang . . 5 Pfeifer John . . 6 Bax Ad . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details 'Citation for the software nmrPipe used for processing spectra.' loop_ _Keyword 'processing nmr data' stop_ save_ save_pse-4_lancet _Saveframe_category citation _Citation_full 'Newsom, S.W.B. (1969) Carbenicillin-resistant pseudomonas. Lancet. vol 2, 1141.' _Citation_title 'Carbenicillin-resistant pseudomonas' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 4188085 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Newsom S. W.B. . stop_ _Journal_abbreviation Lancet _Journal_name_full . _Journal_volume 2 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1141 _Page_last 1141 _Year 1969 _Details 'Citation for the first appearance of PSE-4 in the litterature.' loop_ _Keyword 'Carbenicillin-resistant pseudomonas' stop_ save_ save_crystal _Saveframe_category citation _Citation_full ; Lim, D., Sanschagrin, F., Passmore, L., De Castro, L., Levesque, R.C., Strynadka, N.C. (2001) Insights into the molecular basis for the carbenicillinase activity of PSE-4 beta-lactamase from crystallographic and kinetic studies. Biochemistry. vol 40, issue 2, 395-402. ; _Citation_title ; Insights into the molecular basis for the carbenicillinase activity of PSE-4 beta-lactamase from crystallographic and kinetic studies ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11148033 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim Daniel . . 2 Sanschagrin Francois . . 3 Passmore Lori . . 4 'De Castro' Liza . . 5 Levesque Roger C. . 6 Strynadka Natalie C. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full . _Journal_volume 40 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 395 _Page_last 402 _Year 2001 _Details 'Citation for the two crystal structures of PSE-4.' loop_ _Keyword 'PSE-4 crystal structure' stop_ save_ save_jbnmr _Saveframe_category citation _Citation_full . _Citation_title ; 1H, 13C and 15N backbone resonance assignment for PSE-4, a 29.5 kDa class A beta-lactamase from Pseudomonas aeruginosa. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16642403 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morin Sebastien . . 2 Levesque Roger C. . 3 Gagne Stephane M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 36 _Journal_issue 'Suppl. 1' _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 11 _Page_last 11 _Year 2006 _Details . loop_ _Keyword 'antibiotic resistance' 'chemical shift assignment' 'class A beta-lactamase' 'liquid-state NMR' PSE-4 'Pseudomonas aeruginosa' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PSE-4 _Enzyme_commission_number 3.5.2.6 loop_ _Mol_system_component_name _Mol_label 'PSE-4 mature enzyme' $PSE-4_mature_enzyme stop_ _System_molecular_weight 29527.2 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'Hydrolyzes beta-lactams' stop_ _Database_query_date . _Details 'A 29.5 kDa class A beta-lactamase from Pseudomonas aeruginosa.' save_ ######################## # Monomeric polymers # ######################## save_PSE-4_mature_enzyme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PSE-4_mature_enzyme _Molecular_mass 29527.2 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Hydrolyzes beta-lactams.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 271 _Mol_residue_sequence ; SSSKFQQVEQDVKAIEVSLS ARIGVSVLDTQNGEYWDYNG NQRFPLTSTFKTIACAKLLY DAEQGKVNPNSTVEIKKADL VTYSPVIEKQVGQAITLDDA CFATMTTSDNTAANIILSAV GGPKGVTDFLRQIGDKETRL DRIEPDLNEGKLGDLRDTTT PKAIASTLNKFLFGSALSEM NQKKLESWMVNNQVTGNLLR SVLPAGWNIADRSGAGGFGA RSITAVVWSEHQAPIIVSIY LAQTQASMEERNDAIVKIGH SIFDVYTSQSR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 SER 2 23 SER 3 24 SER 4 25 LYS 5 26 PHE 6 27 GLN 7 28 GLN 8 29 VAL 9 30 GLU 10 31 GLN 11 32 ASP 12 33 VAL 13 34 LYS 14 35 ALA 15 36 ILE 16 37 GLU 17 38 VAL 18 39 SER 19 40 LEU 20 41 SER 21 42 ALA 22 43 ARG 23 44 ILE 24 45 GLY 25 46 VAL 26 47 SER 27 48 VAL 28 49 LEU 29 50 ASP 30 51 THR 31 52 GLN 32 53 ASN 33 54 GLY 34 55 GLU 35 56 TYR 36 57 TRP 37 59 ASP 38 60 TYR 39 61 ASN 40 62 GLY 41 63 ASN 42 64 GLN 43 65 ARG 44 66 PHE 45 67 PRO 46 68 LEU 47 69 THR 48 70 SER 49 71 THR 50 72 PHE 51 73 LYS 52 74 THR 53 75 ILE 54 76 ALA 55 77 CYS 56 78 ALA 57 79 LYS 58 80 LEU 59 81 LEU 60 82 TYR 61 83 ASP 62 84 ALA 63 85 GLU 64 86 GLN 65 87 GLY 66 88 LYS 67 89 VAL 68 90 ASN 69 91 PRO 70 92 ASN 71 93 SER 72 94 THR 73 95 VAL 74 96 GLU 75 97 ILE 76 98 LYS 77 99 LYS 78 100 ALA 79 101 ASP 80 102 LEU 81 103 VAL 82 104 THR 83 105 TYR 84 106 SER 85 107 PRO 86 108 VAL 87 109 ILE 88 110 GLU 89 111 LYS 90 112 GLN 91 113 VAL 92 114 GLY 93 115 GLN 94 116 ALA 95 117 ILE 96 118 THR 97 119 LEU 98 120 ASP 99 121 ASP 100 122 ALA 101 123 CYS 102 124 PHE 103 125 ALA 104 126 THR 105 127 MET 106 128 THR 107 129 THR 108 130 SER 109 131 ASP 110 132 ASN 111 133 THR 112 134 ALA 113 135 ALA 114 136 ASN 115 137 ILE 116 138 ILE 117 139 LEU 118 140 SER 119 141 ALA 120 142 VAL 121 143 GLY 122 144 GLY 123 145 PRO 124 146 LYS 125 147 GLY 126 148 VAL 127 149 THR 128 150 ASP 129 151 PHE 130 152 LEU 131 153 ARG 132 154 GLN 133 155 ILE 134 156 GLY 135 157 ASP 136 158 LYS 137 159 GLU 138 160 THR 139 161 ARG 140 162 LEU 141 163 ASP 142 164 ARG 143 165 ILE 144 166 GLU 145 167 PRO 146 168 ASP 147 169 LEU 148 170 ASN 149 171 GLU 150 172 GLY 151 173 LYS 152 174 LEU 153 175 GLY 154 176 ASP 155 177 LEU 156 178 ARG 157 179 ASP 158 180 THR 159 181 THR 160 182 THR 161 183 PRO 162 184 LYS 163 185 ALA 164 186 ILE 165 187 ALA 166 188 SER 167 189 THR 168 190 LEU 169 191 ASN 170 192 LYS 171 193 PHE 172 194 LEU 173 195 PHE 174 196 GLY 175 197 SER 176 198 ALA 177 199 LEU 178 200 SER 179 201 GLU 180 202 MET 181 203 ASN 182 204 GLN 183 205 LYS 184 206 LYS 185 207 LEU 186 208 GLU 187 209 SER 188 210 TRP 189 211 MET 190 212 VAL 191 213 ASN 192 214 ASN 193 215 GLN 194 216 VAL 195 217 THR 196 218 GLY 197 219 ASN 198 220 LEU 199 221 LEU 200 222 ARG 201 223 SER 202 224 VAL 203 225 LEU 204 226 PRO 205 227 ALA 206 228 GLY 207 229 TRP 208 230 ASN 209 231 ILE 210 232 ALA 211 233 ASP 212 234 ARG 213 235 SER 214 236 GLY 215 237 ALA 216 238 GLY 217 240 GLY 218 241 PHE 219 242 GLY 220 243 ALA 221 244 ARG 222 245 SER 223 246 ILE 224 247 THR 225 248 ALA 226 249 VAL 227 250 VAL 228 251 TRP 229 252 SER 230 254 GLU 231 255 HIS 232 256 GLN 233 257 ALA 234 258 PRO 235 259 ILE 236 260 ILE 237 261 VAL 238 262 SER 239 263 ILE 240 264 TYR 241 265 LEU 242 266 ALA 243 267 GLN 244 268 THR 245 269 GLN 246 270 ALA 247 271 SER 248 272 MET 249 273 GLU 250 274 GLU 251 275 ARG 252 276 ASN 253 277 ASP 254 278 ALA 255 279 ILE 256 280 VAL 257 281 LYS 258 282 ILE 259 283 GLY 260 284 HIS 261 285 SER 262 286 ILE 263 287 PHE 264 288 ASP 265 289 VAL 266 290 TYR 267 291 THR 268 292 SER 269 293 GLN 270 294 SER 271 295 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1G68 "Pse-4 Carbenicillinase, Wild Type" 100.00 271 100.00 100.00 0.00e+00 PDB 1G6A "Pse-4 Carbenicillinase, R234k Mutant" 100.00 271 99.63 100.00 0.00e+00 DBJ BAA02497 "beta-lactamase precursor [Proteus mirabilis]" 100.00 288 98.15 98.89 0.00e+00 DBJ BAA24531 "carbenicillinase [Proteus mirabilis]" 100.00 288 98.15 98.89 0.00e+00 DBJ BAD02330 "B-lactamase [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 304 99.63 99.63 0.00e+00 DBJ BAE54322 "beta-lactamase [Escherichia coli]" 100.00 288 99.63 99.63 0.00e+00 DBJ BAE71359 "beta-lactamase [Vibrio cholerae non-O1/non-O139]" 100.00 329 99.63 99.63 0.00e+00 EMBL CAA79480 "beta-lactamase [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 288 99.63 99.63 0.00e+00 EMBL CAG23929 "CARB-2/PSE-1 [Pseudomonas aeruginosa]" 100.00 288 99.63 99.63 0.00e+00 EMBL CAH04650 "beta-lactamase [Pseudomonas aeruginosa]" 100.00 288 99.63 99.63 0.00e+00 EMBL CAZ48630 "beta-lactamase PSE-1 [Pseudomonas aeruginosa]" 100.00 288 99.63 99.63 0.00e+00 EMBL CCS92734 "Beta-lactamase PSE1 [Salmonella enterica subsp. enterica serovar Agona str. 24.H.04]" 100.00 304 99.63 99.63 0.00e+00 GB AAA25740 "beta-lactamase [Pseudomonas aeruginosa]" 100.00 304 99.63 99.63 0.00e+00 GB AAA25741 "beta-lactamase [Pseudomonas aeruginosa]" 100.00 288 99.63 99.63 0.00e+00 GB AAA25979 "carbenicillinase [Pseudomonas aeruginosa]" 100.00 304 100.00 100.00 0.00e+00 GB AAB19430 "carbenicillinase-3 beta-lactamase [Pseudomonas aeruginosa]" 100.00 304 99.26 99.26 0.00e+00 GB AAC98498 "beta-lactamase Pse-1 precursor [Salmonella enterica subsp. enterica serovar Typhimurium str. DT104]" 100.00 288 99.63 99.63 0.00e+00 PIR A49789 "beta-lactamase (EC 3.5.2.6) PSE-1 - Pseudomonas aeruginosa plasmid RPL11 transposon Tn1403" 100.00 304 99.63 99.63 0.00e+00 REF NP_848173 "BlaP1 [Pasteurella multocida]" 100.00 288 99.26 99.26 0.00e+00 REF WP_001931474 "MULTISPECIES: beta-lactamase [Gammaproteobacteria]" 100.00 288 99.63 99.63 0.00e+00 REF WP_011113050 "BlaP1 [Pasteurella multocida]" 100.00 288 99.26 99.26 0.00e+00 REF WP_029364662 "beta-lactamase, partial [Escherichia coli]" 89.67 243 99.59 99.59 4.13e-178 REF WP_032490377 "CARB-8 beta-lactamase [Salmonella enterica]" 100.00 288 97.79 98.89 0.00e+00 SP P16897 "RecName: Full=Beta-lactamase PSE-4; AltName: Full=Beta-lactamase CARB-1; AltName: Full=Carbenicillinase 1; Flags: Precursor [Ps" 100.00 288 100.00 100.00 0.00e+00 SP P37322 "RecName: Full=Beta-lactamase CARB-3; AltName: Full=Carbenicillinase 3; Flags: Precursor [Pseudomonas aeruginosa]" 100.00 288 99.26 99.26 0.00e+00 SP Q03170 "RecName: Full=Beta-lactamase PSE-1; AltName: Full=Beta-lactamase CARB-2; AltName: Full=Carbenicillinase 2; Flags: Precursor [Ps" 100.00 288 99.63 99.63 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PSE-4_mature_enzyme 'P. aeruginosa' 287 Eubacteria . Pseudomonas Aeruginosa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Vendor_name $PSE-4_mature_enzyme 'recombinant technology' . Escherichia coli . pEt24 Novagen stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; PSE-4 0.6 mM (U-98% 13C, U-96% 15N) DSS 0.1 mM Imidazole 3 mM Sodium azide 0.1% D2O 10% H2O 90% Protease inhibitors cocktail pH 6.65 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PSE-4_mature_enzyme 0.6 mM '[U-98% 13C; U-96% 15N]' DSS 0.1 mM 'natural abundance' Imidazole 3 mM 'natural abundance' 'Sodium azide' 0.1 % 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'Protease inhibitors cocktail' 0.1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; PSE-4 0.6 mM (U-91% 2H, U-98% 13C, U-96% 15N) DSS 0.1 mM Imidazole 3 mM Sodium azide 0.1% D2O 10% H2O 90% Protease inhibitors cocktail pH 6.65 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PSE-4_mature_enzyme 0.6 mM '[U-91% 2H; U-98% 13C; U-96% 15N]' DSS 0.1 mM 'natural abundance' Imidazole 3 mM 'natural abundance' 'Sodium azide' 0.1 % 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'Protease inhibitors cocktail' 0.1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; PSE-4 0.6 mM (Lys U13C6-98%, Lys U-15N2-98%, Thr U-15N-98%) DSS 0.1 mM Imidazole 3 mM Sodium azide 0.1% D2O 10% H2O 90% Protease inhibitors cocktail pH 6.65 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PSE-4_mature_enzyme 0.6 mM '[U-98% 13CE]-Lys; [U-98% 15NZ]-Lys; [U-98% 15N]-Thr' DSS 0.1 mM 'natural abundance' Imidazole 3 mM 'natural abundance' 'Sodium azide' 0.1 % 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'Protease inhibitors cocktail' 0.1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; PSE-4 0.5 mM (U-96% 15N) Imidazole 3 mM Sodium azide 0.1% D2O 10% H2O 90% pH 6.65 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PSE-4_mature_enzyme 0.6 mM '[U-96% 15N]' Imidazole 3 mM 'natural abundance' 'Sodium azide' 0.1 % 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details ; PSE-4 0.5 mM (U-96% 15N) Imidazole 3 mM Sodium azide 0.1% D2O 100% H2O 0% pH 6.65 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PSE-4_mature_enzyme 0.5 mM '[U-96% 15N]' Imidazole 3 mM 'natural abundance' 'Sodium azide' 0.1 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details ; PSE-4 0.5 mM (U-96% 15N) Imidazole 3 mM Sodium azide 0.1% D2O 100% H2O 0% pH 7.85 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PSE-4_mature_enzyme 0.5 mM '[U-96% 15N]' Imidazole 3 mM 'natural abundance' 'Sodium azide' 0.1 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address 'One Moon Scientific Inc.' . http://www.onemoonscientific.com/ stop_ loop_ _Task 'Peak picks and assign chemical shifts.' stop_ _Details 'NMRView is a program for the visualization and analysis of NMR datasets.' _Citation_label $nmrview_1 save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'The Ad Bax Group' . http://spin.niddk.nih.gov/bax/ stop_ loop_ _Task 'Process fids.' stop_ _Details ; NMRPipe provides comprehensive facilities for Fourier processing of spectra in one to four dimensions, as well as a variety of facilities for spectral display and analysis. ; _Citation_label $nmrpipe_1 save_ save_Smartbotebook _Saveframe_category software _Name Smartbotebook _Version 5.0.5 loop_ _Vendor _Address _Electronic_address 'PENCE (The Canadian Protein Engineering Network)' . http://www.pence.ca/pence/en/ stop_ loop_ _Task 'Assign chemical shifts.' stop_ _Details 'Smartnotebook is a program to help sequential spectral assignment.' _Citation_label $snb save_ save_Vnmr _Saveframe_category software _Name VNMR _Version 6.1c loop_ _Vendor _Address _Electronic_address 'Varian Inc.' ; 3120 Hansen Way Palo Alto, CA 94304-1030 USA ; http://www.varianinc.com stop_ loop_ _Task 'Acquire NMR data.' stop_ _Details 'Vnmr is the program used to run the Varian INOVA 600 MHz spectrometer.' save_ save_relax _Saveframe_category software _Name Relax _Version . loop_ _Vendor _Address _Electronic_address relax . http://www.nmr-relax.com/ stop_ loop_ _Task 'Study of the dynamics of proteins or other macromolecules through the analysis of NMR relaxation data.' stop_ _Details ; The program relax is designed for the study of the dynamics of proteins or other macromolecules through the analysis of NMR relaxation data. It is a community driven project created by NMR spectroscopists for NMR spectroscopists. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, and the Lipari and Szabo model-free analysis. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TROSY-HSQC _Sample_label $sample_1 save_ save_TROSY-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCO _Sample_label $sample_1 save_ save_TROSY-HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CA)CO _Sample_label $sample_2 save_ save_TROSY-HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCA _Sample_label $sample_1 save_ save_TROSY-HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CO)CA _Sample_label $sample_1 save_ save_TROSY-HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCACB _Sample_label $sample_2 save_ save_TROSY-CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-CBCA(CO)NH _Sample_label $sample_1 save_ save_15N-T1_8 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T1 _Sample_label $sample_4 save_ save_15N-T2_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T2 _Sample_label $sample_4 save_ save_1H-15N-NOE_10 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-NOE _Sample_label $sample_4 save_ save_15N-TROSY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TROSY-HSQC _Sample_label $sample_5 save_ save_15N-TROSY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TROSY-HSQC _Sample_label $sample_6 save_ save_15N-TROSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TROSY-HSQC _BMRB_pulse_sequence_accession_number . _Details ; Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to the 1H shifts and removing 46.1Hz to the 15N shifts. ; save_ save_TROSY-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCO _BMRB_pulse_sequence_accession_number . _Details ; Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to the 1H shifts and removing 46.1Hz to the 15N shifts. ; save_ save_TROSY-HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details ; Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to the 1H shifts and removing 46.1Hz to the 15N shifts. ; save_ save_TROSY-HNCA _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCA _BMRB_pulse_sequence_accession_number . _Details ; Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to the 1H shifts and removing 46.1Hz to the 15N shifts. ; save_ save_TROSY-HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details ; Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to the 1H shifts and removing 46.1Hz to the 15N shifts. ; save_ save_TROSY-HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCACB _BMRB_pulse_sequence_accession_number . _Details ; Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to the 1H shifts and removing 46.1Hz to the 15N shifts. ; save_ save_TROSY-CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details ; Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to the 1H shifts and removing 46.1Hz to the 15N shifts. ; save_ save_15N-T1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T1 _BMRB_pulse_sequence_accession_number . _Details 'This experiment was used to record 15N T1 relaxation for model-free analysis.' save_ save_15N-T2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T2 _BMRB_pulse_sequence_accession_number . _Details 'This experiment was used to record 15N T2 relaxation for model-free analysis.' save_ save_1H-15N-NOE _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-NOE _BMRB_pulse_sequence_accession_number . _Details 'This experiment was used to record 1H-15N heteronuclear NOE for model-free analysis.' save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'Liquid state at 303 K and pH 6.65 without salts.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 0.01 mM pH 6.65 0.05 pH temperature 303.15 0.1 K stop_ save_ save_conditions_2 _Saveframe_category sample_conditions _Details 'Liquid state at 303 K and pH 6.65 without salts.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 0.01 mM pH 6.65 0.05 pH temperature 304.65 0.1 K stop_ save_ save_conditions_3 _Saveframe_category sample_conditions _Details 'Liquid state at 304.65 K and pH 6.65 without salts in D2O.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 0.01 mM pH 6.65 0.05 pH temperature 304.65 0.1 K stop_ save_ save_conditions_4 _Saveframe_category sample_conditions _Details 'Liquid state at 304.65 K and pH 7.85 without salts in D2O.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 0.01 mM pH 7.85 0.05 pH temperature 304.65 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 15N-TROSY-HSQC TROSY-HNCO TROSY-HN(CA)CO TROSY-HNCA TROSY-HN(CO)CA TROSY-HNCACB TROSY-CBCA(CO)NH stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 24 3 SER C C 176.424 0.3 1 2 24 3 SER CA C 58.942 0.3 1 3 24 3 SER CB C 63.619 0.3 1 4 25 4 LYS H H 8.415 0.03 1 5 25 4 LYS C C 176.749 0.3 1 6 25 4 LYS CA C 58.603 0.3 1 7 25 4 LYS CB C 32.307 0.3 1 8 25 4 LYS CE C 41.804 0.3 1 9 25 4 LYS N N 124.006 0.3 1 10 26 5 PHE H H 7.776 0.03 1 11 26 5 PHE C C 175.354 0.3 1 12 26 5 PHE CA C 58.666 0.3 1 13 26 5 PHE CB C 37.107 0.3 1 14 26 5 PHE N N 115.584 0.3 1 15 27 6 GLN H H 7.419 0.03 1 16 27 6 GLN C C 177.743 0.3 1 17 27 6 GLN CA C 59.860 0.3 1 18 27 6 GLN CB C 28.523 0.3 1 19 27 6 GLN N N 120.410 0.3 1 20 28 7 GLN H H 8.470 0.03 1 21 28 7 GLN C C 177.629 0.3 1 22 28 7 GLN CA C 58.109 0.3 1 23 28 7 GLN CB C 28.109 0.3 1 24 28 7 GLN N N 118.695 0.3 1 25 29 8 VAL H H 7.064 0.03 1 26 29 8 VAL C C 177.747 0.3 1 27 29 8 VAL CA C 65.746 0.3 1 28 29 8 VAL CB C 30.993 0.3 1 29 29 8 VAL N N 119.141 0.3 1 30 30 9 GLU H H 8.009 0.03 1 31 30 9 GLU C C 177.754 0.3 1 32 30 9 GLU CA C 60.835 0.3 1 33 30 9 GLU CB C 30.160 0.3 1 34 30 9 GLU N N 118.533 0.3 1 35 31 10 GLN H H 7.651 0.03 1 36 31 10 GLN C C 178.993 0.3 1 37 31 10 GLN CA C 58.968 0.3 1 38 31 10 GLN CB C 28.371 0.3 1 39 31 10 GLN N N 116.057 0.3 1 40 32 11 ASP H H 8.443 0.03 1 41 32 11 ASP C C 178.793 0.3 1 42 32 11 ASP CA C 57.750 0.3 1 43 32 11 ASP CB C 39.897 0.3 1 44 32 11 ASP N N 122.134 0.3 1 45 33 12 VAL H H 8.777 0.03 1 46 33 12 VAL C C 177.553 0.3 1 47 33 12 VAL CA C 67.111 0.3 1 48 33 12 VAL CB C 31.288 0.3 1 49 33 12 VAL N N 119.991 0.3 1 50 34 13 LYS H H 8.033 0.03 1 51 34 13 LYS C C 179.183 0.3 1 52 34 13 LYS CA C 59.804 0.3 1 53 34 13 LYS CB C 32.292 0.3 1 54 34 13 LYS N N 119.348 0.3 1 55 35 14 ALA H H 7.752 0.03 1 56 35 14 ALA C C 181.118 0.3 1 57 35 14 ALA CA C 54.973 0.3 1 58 35 14 ALA CB C 18.061 0.3 1 59 35 14 ALA N N 119.899 0.3 1 60 36 15 ILE H H 7.963 0.03 1 61 36 15 ILE C C 177.594 0.3 1 62 36 15 ILE CA C 64.541 0.3 1 63 36 15 ILE CB C 38.026 0.3 1 64 36 15 ILE N N 122.250 0.3 1 65 37 16 GLU H H 8.753 0.03 1 66 37 16 GLU C C 179.816 0.3 1 67 37 16 GLU CA C 61.326 0.3 1 68 37 16 GLU CB C 30.918 0.3 1 69 37 16 GLU N N 121.722 0.3 1 70 38 17 VAL H H 7.601 0.03 1 71 38 17 VAL C C 179.445 0.3 1 72 38 17 VAL CA C 65.662 0.3 1 73 38 17 VAL CB C 32.234 0.3 1 74 38 17 VAL N N 115.610 0.3 1 75 39 18 SER H H 8.402 0.03 1 76 39 18 SER C C 176.812 0.3 1 77 39 18 SER CA C 61.903 0.3 1 78 39 18 SER CB C 62.978 0.3 1 79 39 18 SER N N 117.237 0.3 1 80 40 19 LEU H H 8.632 0.03 1 81 40 19 LEU C C 177.433 0.3 1 82 40 19 LEU CA C 54.865 0.3 1 83 40 19 LEU CB C 42.451 0.3 1 84 40 19 LEU N N 117.970 0.3 1 85 41 20 SER H H 7.782 0.03 1 86 41 20 SER C C 172.828 0.3 1 87 41 20 SER CA C 58.849 0.3 1 88 41 20 SER CB C 61.700 0.3 1 89 41 20 SER N N 117.165 0.3 1 90 42 21 ALA H H 7.882 0.03 1 91 42 21 ALA C C 176.164 0.3 1 92 42 21 ALA CA C 49.950 0.3 1 93 42 21 ALA CB C 24.065 0.3 1 94 42 21 ALA N N 120.041 0.3 1 95 43 22 ARG H H 8.303 0.03 1 96 43 22 ARG C C 175.861 0.3 1 97 43 22 ARG CA C 55.678 0.3 1 98 43 22 ARG CB C 32.002 0.3 1 99 43 22 ARG N N 119.325 0.3 1 100 44 23 ILE H H 9.592 0.03 1 101 44 23 ILE C C 173.488 0.3 1 102 44 23 ILE CA C 60.186 0.3 1 103 44 23 ILE CB C 40.756 0.3 1 104 44 23 ILE N N 124.423 0.3 1 105 45 24 GLY H H 9.040 0.03 1 106 45 24 GLY C C 171.643 0.3 1 107 45 24 GLY CA C 44.746 0.3 1 108 45 24 GLY N N 115.340 0.3 1 109 46 25 VAL H H 9.129 0.03 1 110 46 25 VAL C C 174.937 0.3 1 111 46 25 VAL CA C 59.152 0.3 1 112 46 25 VAL CB C 36.907 0.3 1 113 46 25 VAL N N 122.658 0.3 1 114 47 26 SER H H 9.249 0.03 1 115 47 26 SER C C 172.204 0.3 1 116 47 26 SER CA C 57.516 0.3 1 117 47 26 SER CB C 66.728 0.3 1 118 47 26 SER N N 119.143 0.3 1 119 48 27 VAL H H 8.892 0.03 1 120 48 27 VAL C C 173.719 0.3 1 121 48 27 VAL CA C 61.535 0.3 1 122 48 27 VAL CB C 35.726 0.3 1 123 48 27 VAL N N 122.803 0.3 1 124 49 28 LEU H H 9.279 0.03 1 125 49 28 LEU C C 174.182 0.3 1 126 49 28 LEU CA C 53.664 0.3 1 127 49 28 LEU CB C 45.600 0.3 1 128 49 28 LEU N N 128.350 0.3 1 129 50 29 ASP H H 8.941 0.03 1 130 50 29 ASP C C 177.128 0.3 1 131 50 29 ASP CA C 53.563 0.3 1 132 50 29 ASP CB C 41.929 0.3 1 133 50 29 ASP N N 127.703 0.3 1 134 51 30 THR H H 7.952 0.03 1 135 51 30 THR C C 175.960 0.3 1 136 51 30 THR CA C 64.611 0.3 1 137 51 30 THR CB C 69.080 0.3 1 138 51 30 THR N N 115.753 0.3 1 139 52 31 GLN H H 8.973 0.03 1 140 52 31 GLN C C 176.975 0.3 1 141 52 31 GLN CA C 58.284 0.3 1 142 52 31 GLN CB C 29.286 0.3 1 143 52 31 GLN N N 122.877 0.3 1 144 53 32 ASN H H 7.623 0.03 1 145 53 32 ASN C C 176.853 0.3 1 146 53 32 ASN CA C 52.038 0.3 1 147 53 32 ASN CB C 39.367 0.3 1 148 53 32 ASN N N 112.807 0.3 1 149 54 33 GLY H H 8.192 0.03 1 150 54 33 GLY C C 174.193 0.3 1 151 54 33 GLY CA C 46.258 0.3 1 152 54 33 GLY N N 110.290 0.3 1 153 55 34 GLU H H 8.116 0.03 1 154 55 34 GLU C C 175.023 0.3 1 155 55 34 GLU CA C 57.554 0.3 1 156 55 34 GLU CB C 30.817 0.3 1 157 55 34 GLU N N 121.217 0.3 1 158 56 35 TYR H H 8.433 0.03 1 159 56 35 TYR C C 175.165 0.3 1 160 56 35 TYR CA C 56.781 0.3 1 161 56 35 TYR CB C 42.068 0.3 1 162 56 35 TYR N N 124.160 0.3 1 163 57 36 TRP H H 8.502 0.03 1 164 57 36 TRP C C 172.556 0.3 1 165 57 36 TRP CA C 57.956 0.3 1 166 57 36 TRP CB C 31.531 0.3 1 167 57 36 TRP N N 127.133 0.3 1 168 59 37 ASP H H 6.602 0.03 1 169 59 37 ASP C C 171.710 0.3 1 170 59 37 ASP CA C 52.690 0.3 1 171 59 37 ASP CB C 44.817 0.3 1 172 59 37 ASP N N 122.248 0.3 1 173 60 38 TYR H H 8.180 0.03 1 174 60 38 TYR C C 175.095 0.3 1 175 60 38 TYR CA C 57.771 0.3 1 176 60 38 TYR CB C 41.766 0.3 1 177 60 38 TYR N N 117.495 0.3 1 178 61 39 ASN H H 8.765 0.03 1 179 61 39 ASN C C 177.017 0.3 1 180 61 39 ASN CA C 53.946 0.3 1 181 61 39 ASN CB C 36.158 0.3 1 182 61 39 ASN N N 123.967 0.3 1 183 62 40 GLY H H 8.337 0.03 1 184 62 40 GLY C C 173.020 0.3 1 185 62 40 GLY CA C 47.284 0.3 1 186 62 40 GLY N N 101.356 0.3 1 187 63 41 ASN H H 8.268 0.03 1 188 63 41 ASN C C 175.339 0.3 1 189 63 41 ASN CA C 51.791 0.3 1 190 63 41 ASN CB C 39.001 0.3 1 191 63 41 ASN N N 112.624 0.3 1 192 64 42 GLN H H 7.286 0.03 1 193 64 42 GLN C C 173.558 0.3 1 194 64 42 GLN CA C 55.097 0.3 1 195 64 42 GLN CB C 29.494 0.3 1 196 64 42 GLN N N 120.226 0.3 1 197 65 43 ARG H H 7.838 0.03 1 198 65 43 ARG C C 177.238 0.3 1 199 65 43 ARG CA C 55.084 0.3 1 200 65 43 ARG CB C 31.873 0.3 1 201 65 43 ARG N N 115.942 0.3 1 202 66 44 PHE H H 8.901 0.03 1 203 66 44 PHE C C 172.500 0.3 1 204 66 44 PHE CA C 55.702 0.3 1 205 66 44 PHE CB C 43.325 0.3 1 206 66 44 PHE N N 118.743 0.3 1 207 67 45 PRO C C 177.748 0.3 1 208 67 45 PRO CA C 62.994 0.3 1 209 67 45 PRO CB C 32.474 0.3 1 210 68 46 LEU H H 8.927 0.03 1 211 68 46 LEU C C 181.532 0.3 1 212 68 46 LEU CA C 58.463 0.3 1 213 68 46 LEU CB C 44.746 0.3 1 214 68 46 LEU N N 124.901 0.3 1 215 69 47 THR H H 10.643 0.03 1 216 69 47 THR CA C 63.076 0.3 1 217 69 47 THR CB C 69.401 0.3 1 218 69 47 THR N N 116.355 0.3 1 219 70 48 SER C C 176.723 0.3 1 220 70 48 SER CA C 63.725 0.3 1 221 71 49 THR H H 8.182 0.03 1 222 71 49 THR C C 176.275 0.3 1 223 71 49 THR CA C 65.013 0.3 1 224 71 49 THR CB C 69.715 0.3 1 225 71 49 THR N N 113.737 0.3 1 226 72 50 PHE H H 8.312 0.03 1 227 72 50 PHE C C 176.934 0.3 1 228 72 50 PHE CA C 59.191 0.3 1 229 72 50 PHE CB C 38.566 0.3 1 230 72 50 PHE N N 116.862 0.3 1 231 73 51 LYS H H 6.723 0.03 1 232 73 51 LYS C C 175.016 0.3 1 233 73 51 LYS CA C 61.838 0.3 1 234 73 51 LYS CB C 30.621 0.3 1 235 73 51 LYS N N 122.809 0.3 1 236 74 52 THR H H 6.557 0.03 1 237 74 52 THR C C 175.551 0.3 1 238 74 52 THR CA C 65.313 0.3 1 239 74 52 THR CB C 69.747 0.3 1 240 74 52 THR N N 111.868 0.3 1 241 75 53 ILE H H 7.430 0.03 1 242 75 53 ILE C C 177.192 0.3 1 243 75 53 ILE CA C 64.103 0.3 1 244 75 53 ILE CB C 38.652 0.3 1 245 75 53 ILE N N 117.045 0.3 1 246 76 54 ALA H H 7.301 0.03 1 247 76 54 ALA C C 177.740 0.3 1 248 76 54 ALA CA C 55.522 0.3 1 249 76 54 ALA CB C 17.304 0.3 1 250 76 54 ALA N N 119.588 0.3 1 251 77 55 CYS H H 7.863 0.03 1 252 77 55 CYS C C 175.540 0.3 1 253 77 55 CYS CA C 61.652 0.3 1 254 77 55 CYS CB C 41.607 0.3 1 255 77 55 CYS N N 112.437 0.3 1 256 78 56 ALA H H 8.316 0.03 1 257 78 56 ALA C C 178.700 0.3 1 258 78 56 ALA CA C 55.561 0.3 1 259 78 56 ALA CB C 16.367 0.3 1 260 78 56 ALA N N 123.539 0.3 1 261 79 57 LYS H H 7.966 0.03 1 262 79 57 LYS C C 177.185 0.3 1 263 79 57 LYS CA C 59.756 0.3 1 264 79 57 LYS CB C 31.291 0.3 1 265 79 57 LYS N N 117.143 0.3 1 266 80 58 LEU H H 7.532 0.03 1 267 80 58 LEU C C 177.348 0.3 1 268 80 58 LEU CA C 59.023 0.3 1 269 80 58 LEU CB C 40.933 0.3 1 270 80 58 LEU N N 119.166 0.3 1 271 81 59 LEU H H 7.308 0.03 1 272 81 59 LEU C C 178.144 0.3 1 273 81 59 LEU CA C 57.473 0.3 1 274 81 59 LEU CB C 40.527 0.3 1 275 81 59 LEU N N 115.342 0.3 1 276 82 60 TYR H H 8.643 0.03 1 277 82 60 TYR C C 177.953 0.3 1 278 82 60 TYR CA C 62.040 0.3 1 279 82 60 TYR CB C 39.456 0.3 1 280 82 60 TYR N N 122.607 0.3 1 281 83 61 ASP H H 9.466 0.03 1 282 83 61 ASP C C 179.981 0.3 1 283 83 61 ASP CA C 57.255 0.3 1 284 83 61 ASP CB C 39.457 0.3 1 285 83 61 ASP N N 121.455 0.3 1 286 84 62 ALA H H 8.490 0.03 1 287 84 62 ALA C C 182.376 0.3 1 288 84 62 ALA CA C 54.938 0.3 1 289 84 62 ALA CB C 18.057 0.3 1 290 84 62 ALA N N 125.877 0.3 1 291 85 63 GLU H H 8.351 0.03 1 292 85 63 GLU C C 179.130 0.3 1 293 85 63 GLU CA C 59.911 0.3 1 294 85 63 GLU CB C 29.161 0.3 1 295 85 63 GLU N N 122.395 0.3 1 296 86 64 GLN H H 7.601 0.03 1 297 86 64 GLN C C 176.344 0.3 1 298 86 64 GLN CA C 55.023 0.3 1 299 86 64 GLN CB C 28.996 0.3 1 300 86 64 GLN N N 113.917 0.3 1 301 87 65 GLY H H 7.911 0.03 1 302 87 65 GLY C C 174.963 0.3 1 303 87 65 GLY CA C 45.837 0.3 1 304 87 65 GLY N N 107.914 0.3 1 305 88 66 LYS H H 8.303 0.03 1 306 88 66 LYS C C 175.797 0.3 1 307 88 66 LYS CA C 57.269 0.3 1 308 88 66 LYS CB C 33.877 0.3 1 309 88 66 LYS N N 118.071 0.3 1 310 89 67 VAL H H 6.995 0.03 1 311 89 67 VAL C C 172.574 0.3 1 312 89 67 VAL CA C 59.755 0.3 1 313 89 67 VAL CB C 35.583 0.3 1 314 89 67 VAL N N 114.829 0.3 1 315 90 68 ASN H H 8.763 0.03 1 316 90 68 ASN CA C 48.876 0.3 1 317 90 68 ASN CB C 39.258 0.3 1 318 90 68 ASN N N 123.201 0.3 1 319 91 69 PRO C C 174.562 0.3 1 320 91 69 PRO CA C 64.543 0.3 1 321 91 69 PRO CB C 32.122 0.3 1 322 92 70 ASN H H 8.026 0.03 1 323 92 70 ASN C C 175.378 0.3 1 324 92 70 ASN CA C 53.133 0.3 1 325 92 70 ASN CB C 38.847 0.3 1 326 92 70 ASN N N 112.475 0.3 1 327 93 71 SER H H 8.006 0.03 1 328 93 71 SER C C 172.826 0.3 1 329 93 71 SER CA C 59.797 0.3 1 330 93 71 SER CB C 64.094 0.3 1 331 93 71 SER N N 117.585 0.3 1 332 94 72 THR H H 7.881 0.03 1 333 94 72 THR C C 175.685 0.3 1 334 94 72 THR CA C 59.412 0.3 1 335 94 72 THR CB C 72.330 0.3 1 336 94 72 THR N N 108.287 0.3 1 337 95 73 VAL H H 8.875 0.03 1 338 95 73 VAL C C 174.499 0.3 1 339 95 73 VAL CA C 60.609 0.3 1 340 95 73 VAL CB C 35.269 0.3 1 341 95 73 VAL N N 119.082 0.3 1 342 96 74 GLU H H 8.357 0.03 1 343 96 74 GLU C C 176.285 0.3 1 344 96 74 GLU CA C 55.744 0.3 1 345 96 74 GLU CB C 30.562 0.3 1 346 96 74 GLU N N 124.427 0.3 1 347 97 75 ILE H H 8.564 0.03 1 348 97 75 ILE C C 176.456 0.3 1 349 97 75 ILE CA C 60.084 0.3 1 350 97 75 ILE CB C 35.979 0.3 1 351 97 75 ILE N N 126.045 0.3 1 352 98 76 LYS H H 9.033 0.03 1 353 98 76 LYS C C 177.032 0.3 1 354 98 76 LYS CA C 54.252 0.3 1 355 98 76 LYS CB C 33.426 0.3 1 356 98 76 LYS N N 130.456 0.3 1 357 99 77 LYS H H 8.904 0.03 1 358 99 77 LYS C C 178.802 0.3 1 359 99 77 LYS CA C 59.873 0.3 1 360 99 77 LYS CB C 32.240 0.3 1 361 99 77 LYS N N 123.903 0.3 1 362 100 78 ALA H H 8.330 0.03 1 363 100 78 ALA C C 177.816 0.3 1 364 100 78 ALA CA C 53.878 0.3 1 365 100 78 ALA CB C 18.750 0.3 1 366 100 78 ALA N N 117.679 0.3 1 367 101 79 ASP H H 7.527 0.03 1 368 101 79 ASP C C 176.009 0.3 1 369 101 79 ASP CA C 54.993 0.3 1 370 101 79 ASP CB C 41.559 0.3 1 371 101 79 ASP N N 115.318 0.3 1 372 102 80 LEU H H 7.107 0.03 1 373 102 80 LEU C C 177.887 0.3 1 374 102 80 LEU CA C 55.912 0.3 1 375 102 80 LEU CB C 42.008 0.3 1 376 102 80 LEU N N 116.953 0.3 1 377 103 81 VAL H H 7.873 0.03 1 378 103 81 VAL C C 176.558 0.3 1 379 103 81 VAL CA C 59.337 0.3 1 380 103 81 VAL CB C 34.507 0.3 1 381 103 81 VAL N N 119.626 0.3 1 382 104 82 THR H H 8.202 0.03 1 383 104 82 THR C C 172.709 0.3 1 384 104 82 THR CA C 64.066 0.3 1 385 104 82 THR CB C 69.161 0.3 1 386 104 82 THR N N 119.835 0.3 1 387 105 83 TYR H H 8.692 0.03 1 388 105 83 TYR C C 172.273 0.3 1 389 105 83 TYR CA C 60.474 0.3 1 390 105 83 TYR CB C 36.092 0.3 1 391 105 83 TYR N N 123.059 0.3 1 392 106 84 SER H H 8.477 0.03 1 393 106 84 SER CA C 55.211 0.3 1 394 106 84 SER CB C 64.706 0.3 1 395 106 84 SER N N 117.950 0.3 1 396 107 85 PRO C C 178.030 0.3 1 397 107 85 PRO CA C 64.065 0.3 1 398 107 85 PRO CB C 32.405 0.3 1 399 108 86 VAL H H 8.690 0.03 1 400 108 86 VAL C C 178.644 0.3 1 401 108 86 VAL CA C 64.630 0.3 1 402 108 86 VAL CB C 33.250 0.3 1 403 108 86 VAL N N 118.857 0.3 1 404 109 87 ILE H H 9.530 0.03 1 405 109 87 ILE C C 178.674 0.3 1 406 109 87 ILE CA C 61.734 0.3 1 407 109 87 ILE CB C 34.904 0.3 1 408 109 87 ILE N N 121.483 0.3 1 409 110 88 GLU H H 8.391 0.03 1 410 110 88 GLU C C 177.333 0.3 1 411 110 88 GLU CA C 58.866 0.3 1 412 110 88 GLU CB C 28.219 0.3 1 413 110 88 GLU N N 116.408 0.3 1 414 111 89 LYS H H 6.939 0.03 1 415 111 89 LYS C C 177.067 0.3 1 416 111 89 LYS CA C 56.343 0.3 1 417 111 89 LYS CB C 32.573 0.3 1 418 111 89 LYS N N 115.857 0.3 1 419 112 90 GLN H H 7.955 0.03 1 420 112 90 GLN C C 174.432 0.3 1 421 112 90 GLN CA C 54.743 0.3 1 422 112 90 GLN CB C 30.286 0.3 1 423 112 90 GLN N N 117.929 0.3 1 424 113 91 VAL H H 7.207 0.03 1 425 113 91 VAL C C 177.573 0.3 1 426 113 91 VAL CA C 65.395 0.3 1 427 113 91 VAL CB C 31.036 0.3 1 428 113 91 VAL N N 119.007 0.3 1 429 114 92 GLY H H 8.723 0.03 1 430 114 92 GLY C C 173.971 0.3 1 431 114 92 GLY CA C 45.127 0.3 1 432 114 92 GLY N N 116.093 0.3 1 433 115 93 GLN H H 8.219 0.03 1 434 115 93 GLN C C 173.446 0.3 1 435 115 93 GLN CA C 54.116 0.3 1 436 115 93 GLN CB C 30.158 0.3 1 437 115 93 GLN N N 119.361 0.3 1 438 116 94 ALA H H 8.211 0.03 1 439 116 94 ALA C C 177.086 0.3 1 440 116 94 ALA CA C 50.624 0.3 1 441 116 94 ALA CB C 20.088 0.3 1 442 116 94 ALA N N 121.983 0.3 1 443 117 95 ILE H H 8.500 0.03 1 444 117 95 ILE C C 174.748 0.3 1 445 117 95 ILE CA C 58.778 0.3 1 446 117 95 ILE CB C 41.585 0.3 1 447 117 95 ILE N N 119.415 0.3 1 448 118 96 THR H H 8.747 0.03 1 449 118 96 THR C C 176.400 0.3 1 450 118 96 THR CA C 60.183 0.3 1 451 118 96 THR CB C 71.387 0.3 1 452 118 96 THR N N 113.069 0.3 1 453 119 97 LEU H H 7.735 0.03 1 454 119 97 LEU C C 179.199 0.3 1 455 119 97 LEU CA C 57.848 0.3 1 456 119 97 LEU CB C 40.857 0.3 1 457 119 97 LEU N N 119.583 0.3 1 458 120 98 ASP H H 8.371 0.03 1 459 120 98 ASP C C 178.118 0.3 1 460 120 98 ASP CA C 58.648 0.3 1 461 120 98 ASP CB C 42.451 0.3 1 462 120 98 ASP N N 119.493 0.3 1 463 121 99 ASP H H 8.194 0.03 1 464 121 99 ASP C C 179.919 0.3 1 465 121 99 ASP CA C 57.115 0.3 1 466 121 99 ASP CB C 39.875 0.3 1 467 121 99 ASP N N 118.300 0.3 1 468 122 100 ALA H H 8.545 0.03 1 469 122 100 ALA C C 179.848 0.3 1 470 122 100 ALA CA C 55.526 0.3 1 471 122 100 ALA CB C 16.104 0.3 1 472 122 100 ALA N N 125.219 0.3 1 473 123 101 CYS H H 8.186 0.03 1 474 123 101 CYS C C 175.844 0.3 1 475 123 101 CYS CA C 63.781 0.3 1 476 123 101 CYS CB C 42.009 0.3 1 477 123 101 CYS N N 118.799 0.3 1 478 124 102 PHE H H 8.472 0.03 1 479 124 102 PHE C C 179.322 0.3 1 480 124 102 PHE CA C 62.305 0.3 1 481 124 102 PHE CB C 38.311 0.3 1 482 124 102 PHE N N 122.248 0.3 1 483 125 103 ALA H H 8.751 0.03 1 484 125 103 ALA C C 180.773 0.3 1 485 125 103 ALA CA C 55.388 0.3 1 486 125 103 ALA CB C 17.708 0.3 1 487 125 103 ALA N N 121.660 0.3 1 488 126 104 THR H H 8.525 0.03 1 489 126 104 THR C C 175.816 0.3 1 490 126 104 THR CA C 67.235 0.3 1 491 126 104 THR CB C 68.442 0.3 1 492 126 104 THR N N 116.388 0.3 1 493 127 105 MET H H 8.527 0.03 1 494 127 105 MET C C 180.632 0.3 1 495 127 105 MET CA C 55.576 0.3 1 496 127 105 MET CB C 29.951 0.3 1 497 127 105 MET N N 119.733 0.3 1 498 128 106 THR H H 7.943 0.03 1 499 128 106 THR C C 176.232 0.3 1 500 128 106 THR CA C 64.352 0.3 1 501 128 106 THR CB C 70.760 0.3 1 502 128 106 THR N N 109.664 0.3 1 503 129 107 THR H H 7.318 0.03 1 504 129 107 THR C C 175.187 0.3 1 505 129 107 THR CA C 62.562 0.3 1 506 129 107 THR CB C 73.853 0.3 1 507 129 107 THR N N 106.375 0.3 1 508 130 108 SER H H 7.867 0.03 1 509 130 108 SER C C 173.715 0.3 1 510 130 108 SER CA C 60.258 0.3 1 511 130 108 SER CB C 62.806 0.3 1 512 130 108 SER N N 112.044 0.3 1 513 131 109 ASP H H 7.355 0.03 1 514 131 109 ASP C C 177.532 0.3 1 515 131 109 ASP CA C 57.115 0.3 1 516 131 109 ASP CB C 43.924 0.3 1 517 131 109 ASP N N 119.948 0.3 1 518 132 110 ASN H H 9.205 0.03 1 519 132 110 ASN C C 177.536 0.3 1 520 132 110 ASN CA C 56.556 0.3 1 521 132 110 ASN CB C 39.058 0.3 1 522 132 110 ASN N N 129.673 0.3 1 523 133 111 THR H H 8.278 0.03 1 524 133 111 THR C C 176.939 0.3 1 525 133 111 THR CA C 68.410 0.3 1 526 133 111 THR CB C 67.978 0.3 1 527 133 111 THR N N 121.561 0.3 1 528 134 112 ALA H H 9.293 0.03 1 529 134 112 ALA C C 178.292 0.3 1 530 134 112 ALA CA C 55.203 0.3 1 531 134 112 ALA CB C 18.399 0.3 1 532 134 112 ALA N N 123.767 0.3 1 533 135 113 ALA H H 7.113 0.03 1 534 135 113 ALA C C 178.386 0.3 1 535 135 113 ALA CA C 55.551 0.3 1 536 135 113 ALA CB C 19.069 0.3 1 537 135 113 ALA N N 116.049 0.3 1 538 136 114 ASN H H 7.829 0.03 1 539 136 114 ASN C C 179.686 0.3 1 540 136 114 ASN CA C 55.503 0.3 1 541 136 114 ASN CB C 36.854 0.3 1 542 136 114 ASN N N 119.490 0.3 1 543 137 115 ILE H H 8.508 0.03 1 544 137 115 ILE C C 178.764 0.3 1 545 137 115 ILE CA C 65.550 0.3 1 546 137 115 ILE CB C 37.845 0.3 1 547 137 115 ILE N N 124.833 0.3 1 548 138 116 ILE H H 7.753 0.03 1 549 138 116 ILE C C 178.538 0.3 1 550 138 116 ILE CA C 62.295 0.3 1 551 138 116 ILE CB C 35.398 0.3 1 552 138 116 ILE N N 120.616 0.3 1 553 139 117 LEU H H 8.959 0.03 1 554 139 117 LEU C C 179.489 0.3 1 555 139 117 LEU CA C 58.204 0.3 1 556 139 117 LEU CB C 42.436 0.3 1 557 139 117 LEU N N 118.439 0.3 1 558 140 118 SER H H 8.123 0.03 1 559 140 118 SER C C 176.306 0.3 1 560 140 118 SER CA C 61.659 0.3 1 561 140 118 SER CB C 62.941 0.3 1 562 140 118 SER N N 113.515 0.3 1 563 141 119 ALA H H 7.757 0.03 1 564 141 119 ALA C C 179.260 0.3 1 565 141 119 ALA CA C 53.752 0.3 1 566 141 119 ALA CB C 20.223 0.3 1 567 141 119 ALA N N 123.215 0.3 1 568 142 120 VAL H H 7.705 0.03 1 569 142 120 VAL C C 176.251 0.3 1 570 142 120 VAL CA C 59.756 0.3 1 571 142 120 VAL CB C 32.076 0.3 1 572 142 120 VAL N N 107.292 0.3 1 573 143 121 GLY H H 7.602 0.03 1 574 143 121 GLY C C 176.167 0.3 1 575 143 121 GLY CA C 45.644 0.3 1 576 143 121 GLY N N 108.552 0.3 1 577 144 122 GLY H H 9.018 0.03 1 578 144 122 GLY C C 170.357 0.3 1 579 144 122 GLY CA C 45.413 0.3 1 580 144 122 GLY N N 110.331 0.3 1 581 145 123 PRO C C 178.357 0.3 1 582 145 123 PRO CA C 66.262 0.3 1 583 145 123 PRO CB C 31.985 0.3 1 584 146 124 LYS H H 8.633 0.03 1 585 146 124 LYS C C 178.319 0.3 1 586 146 124 LYS CA C 59.686 0.3 1 587 146 124 LYS CB C 32.436 0.3 1 588 146 124 LYS N N 117.956 0.3 1 589 147 125 GLY H H 7.458 0.03 1 590 147 125 GLY C C 177.516 0.3 1 591 147 125 GLY CA C 46.973 0.3 1 592 147 125 GLY N N 108.135 0.3 1 593 148 126 VAL H H 8.455 0.03 1 594 148 126 VAL C C 177.023 0.3 1 595 148 126 VAL CA C 67.365 0.3 1 596 148 126 VAL CB C 31.327 0.3 1 597 148 126 VAL N N 121.967 0.3 1 598 149 127 THR H H 8.583 0.03 1 599 149 127 THR C C 175.408 0.3 1 600 149 127 THR CA C 68.657 0.3 1 601 149 127 THR N N 119.001 0.3 1 602 150 128 ASP H H 8.798 0.03 1 603 150 128 ASP C C 179.147 0.3 1 604 150 128 ASP CA C 57.895 0.3 1 605 150 128 ASP CB C 40.174 0.3 1 606 150 128 ASP N N 121.678 0.3 1 607 151 129 PHE H H 7.838 0.03 1 608 151 129 PHE C C 176.086 0.3 1 609 151 129 PHE CA C 59.323 0.3 1 610 151 129 PHE CB C 39.195 0.3 1 611 151 129 PHE N N 122.498 0.3 1 612 152 130 LEU H H 8.146 0.03 1 613 152 130 LEU C C 178.586 0.3 1 614 152 130 LEU CA C 57.907 0.3 1 615 152 130 LEU CB C 40.581 0.3 1 616 152 130 LEU N N 120.676 0.3 1 617 153 131 ARG H H 8.223 0.03 1 618 153 131 ARG C C 181.353 0.3 1 619 153 131 ARG CA C 57.332 0.3 1 620 153 131 ARG CB C 28.410 0.3 1 621 153 131 ARG N N 116.388 0.3 1 622 154 132 GLN H H 8.183 0.03 1 623 154 132 GLN C C 178.480 0.3 1 624 154 132 GLN CA C 58.933 0.3 1 625 154 132 GLN CB C 28.245 0.3 1 626 154 132 GLN N N 121.742 0.3 1 627 155 133 ILE H H 7.631 0.03 1 628 155 133 ILE C C 176.430 0.3 1 629 155 133 ILE CA C 60.929 0.3 1 630 155 133 ILE CB C 37.778 0.3 1 631 155 133 ILE N N 111.428 0.3 1 632 156 134 GLY H H 7.586 0.03 1 633 156 134 GLY C C 172.968 0.3 1 634 156 134 GLY CA C 45.690 0.3 1 635 156 134 GLY N N 109.054 0.3 1 636 157 135 ASP H H 8.288 0.03 1 637 157 135 ASP C C 176.293 0.3 1 638 157 135 ASP CA C 52.917 0.3 1 639 157 135 ASP CB C 39.990 0.3 1 640 157 135 ASP N N 123.129 0.3 1 641 158 136 LYS H H 8.581 0.03 1 642 158 136 LYS C C 176.372 0.3 1 643 158 136 LYS CA C 56.388 0.3 1 644 158 136 LYS CB C 32.998 0.3 1 645 158 136 LYS N N 123.318 0.3 1 646 159 137 GLU H H 8.600 0.03 1 647 159 137 GLU C C 177.409 0.3 1 648 159 137 GLU CA C 57.480 0.3 1 649 159 137 GLU CB C 33.032 0.3 1 650 159 137 GLU N N 118.051 0.3 1 651 160 138 THR H H 9.746 0.03 1 652 160 138 THR C C 173.854 0.3 1 653 160 138 THR CA C 64.676 0.3 1 654 160 138 THR CB C 66.411 0.3 1 655 160 138 THR N N 124.268 0.3 1 656 161 139 ARG H H 9.012 0.03 1 657 161 139 ARG C C 170.666 0.3 1 658 161 139 ARG CA C 54.904 0.3 1 659 161 139 ARG CB C 33.663 0.3 1 660 161 139 ARG N N 121.828 0.3 1 661 162 140 LEU H H 7.782 0.03 1 662 162 140 LEU C C 174.210 0.3 1 663 162 140 LEU CA C 53.524 0.3 1 664 162 140 LEU CB C 45.925 0.3 1 665 162 140 LEU N N 121.586 0.3 1 666 163 141 ASP H H 10.215 0.03 1 667 163 141 ASP C C 175.234 0.3 1 668 163 141 ASP CA C 55.899 0.3 1 669 163 141 ASP CB C 45.525 0.3 1 670 163 141 ASP N N 125.953 0.3 1 671 164 142 ARG H H 9.468 0.03 1 672 164 142 ARG C C 172.009 0.3 1 673 164 142 ARG CA C 54.902 0.3 1 674 164 142 ARG CB C 35.057 0.3 1 675 164 142 ARG N N 126.215 0.3 1 676 165 143 ILE H H 7.233 0.03 1 677 165 143 ILE C C 177.903 0.3 1 678 165 143 ILE CA C 59.469 0.3 1 679 165 143 ILE CB C 37.985 0.3 1 680 165 143 ILE N N 105.992 0.3 1 681 166 144 GLU H H 9.004 0.03 1 682 166 144 GLU C C 178.300 0.3 1 683 166 144 GLU CA C 55.510 0.3 1 684 166 144 GLU CB C 28.840 0.3 1 685 166 144 GLU N N 117.216 0.3 1 686 167 145 PRO C C 177.540 0.3 1 687 167 145 PRO CA C 63.818 0.3 1 688 167 145 PRO CB C 32.607 0.3 1 689 168 146 ASP H H 8.143 0.03 1 690 168 146 ASP C C 176.478 0.3 1 691 168 146 ASP CA C 57.431 0.3 1 692 168 146 ASP CB C 40.890 0.3 1 693 168 146 ASP N N 128.085 0.3 1 694 169 147 LEU H H 7.442 0.03 1 695 169 147 LEU C C 176.971 0.3 1 696 169 147 LEU CA C 57.214 0.3 1 697 169 147 LEU CB C 40.766 0.3 1 698 169 147 LEU N N 113.107 0.3 1 699 170 148 ASN H H 7.561 0.03 1 700 170 148 ASN C C 174.076 0.3 1 701 170 148 ASN CA C 54.529 0.3 1 702 170 148 ASN CB C 40.463 0.3 1 703 170 148 ASN N N 119.085 0.3 1 704 171 149 GLU H H 7.224 0.03 1 705 171 149 GLU C C 177.940 0.3 1 706 171 149 GLU CA C 60.826 0.3 1 707 171 149 GLU CB C 30.302 0.3 1 708 171 149 GLU N N 121.300 0.3 1 709 172 150 GLY H H 9.713 0.03 1 710 172 150 GLY C C 174.714 0.3 1 711 172 150 GLY CA C 46.396 0.3 1 712 172 150 GLY N N 105.153 0.3 1 713 173 151 LYS H H 8.136 0.03 1 714 173 151 LYS C C 177.473 0.3 1 715 173 151 LYS CA C 57.688 0.3 1 716 173 151 LYS CB C 33.172 0.3 1 717 173 151 LYS N N 118.745 0.3 1 718 174 152 LEU H H 8.152 0.03 1 719 174 152 LEU C C 177.926 0.3 1 720 174 152 LEU CA C 56.901 0.3 1 721 174 152 LEU CB C 41.440 0.3 1 722 174 152 LEU N N 128.193 0.3 1 723 175 153 GLY H H 8.992 0.03 1 724 175 153 GLY C C 172.817 0.3 1 725 175 153 GLY CA C 45.201 0.3 1 726 175 153 GLY N N 115.497 0.3 1 727 176 154 ASP H H 7.284 0.03 1 728 176 154 ASP C C 177.233 0.3 1 729 176 154 ASP CA C 52.935 0.3 1 730 176 154 ASP CB C 42.020 0.3 1 731 176 154 ASP N N 120.788 0.3 1 732 177 155 LEU H H 8.745 0.03 1 733 177 155 LEU C C 178.347 0.3 1 734 177 155 LEU CA C 55.591 0.3 1 735 177 155 LEU CB C 42.902 0.3 1 736 177 155 LEU N N 128.081 0.3 1 737 178 156 ARG H H 7.991 0.03 1 738 178 156 ARG C C 177.178 0.3 1 739 178 156 ARG CA C 57.039 0.3 1 740 178 156 ARG CB C 30.576 0.3 1 741 178 156 ARG N N 119.786 0.3 1 742 179 157 ASP H H 9.086 0.03 1 743 179 157 ASP C C 178.240 0.3 1 744 179 157 ASP CA C 55.503 0.3 1 745 179 157 ASP CB C 42.778 0.3 1 746 179 157 ASP N N 115.823 0.3 1 747 180 158 THR H H 7.350 0.03 1 748 180 158 THR C C 173.184 0.3 1 749 180 158 THR CA C 59.794 0.3 1 750 180 158 THR CB C 75.184 0.3 1 751 180 158 THR N N 105.847 0.3 1 752 181 159 THR H H 8.486 0.03 1 753 181 159 THR C C 173.029 0.3 1 754 181 159 THR CA C 59.660 0.3 1 755 181 159 THR CB C 69.113 0.3 1 756 181 159 THR N N 112.981 0.3 1 757 182 160 THR H H 8.668 0.03 1 758 182 160 THR C C 174.388 0.3 1 759 182 160 THR CA C 57.576 0.3 1 760 182 160 THR N N 111.553 0.3 1 761 183 161 PRO C C 179.026 0.3 1 762 183 161 PRO CA C 65.608 0.3 1 763 183 161 PRO CB C 31.640 0.3 1 764 184 162 LYS H H 8.324 0.03 1 765 184 162 LYS C C 178.493 0.3 1 766 184 162 LYS CA C 59.522 0.3 1 767 184 162 LYS CB C 33.334 0.3 1 768 184 162 LYS N N 116.742 0.3 1 769 185 163 ALA H H 8.318 0.03 1 770 185 163 ALA C C 180.478 0.3 1 771 185 163 ALA CA C 55.317 0.3 1 772 185 163 ALA CB C 18.460 0.3 1 773 185 163 ALA N N 124.463 0.3 1 774 186 164 ILE H H 8.226 0.03 1 775 186 164 ILE C C 176.939 0.3 1 776 186 164 ILE CA C 61.725 0.3 1 777 186 164 ILE CB C 36.961 0.3 1 778 186 164 ILE N N 116.107 0.3 1 779 187 165 ALA H H 7.148 0.03 1 780 187 165 ALA C C 178.966 0.3 1 781 187 165 ALA CA C 55.649 0.3 1 782 187 165 ALA CB C 18.102 0.3 1 783 187 165 ALA N N 124.608 0.3 1 784 188 166 SER H H 7.539 0.03 1 785 188 166 SER C C 177.499 0.3 1 786 188 166 SER CA C 61.204 0.3 1 787 188 166 SER CB C 62.837 0.3 1 788 188 166 SER N N 111.408 0.3 1 789 189 167 THR H H 8.766 0.03 1 790 189 167 THR C C 174.560 0.3 1 791 189 167 THR CA C 67.142 0.3 1 792 189 167 THR N N 123.195 0.3 1 793 190 168 LEU H H 8.610 0.03 1 794 190 168 LEU C C 178.646 0.3 1 795 190 168 LEU CA C 58.834 0.3 1 796 190 168 LEU CB C 41.412 0.3 1 797 190 168 LEU N N 120.808 0.3 1 798 191 169 ASN H H 7.862 0.03 1 799 191 169 ASN C C 177.317 0.3 1 800 191 169 ASN CA C 56.991 0.3 1 801 191 169 ASN CB C 39.239 0.3 1 802 191 169 ASN N N 116.161 0.3 1 803 192 170 LYS H H 7.812 0.03 1 804 192 170 LYS C C 179.058 0.3 1 805 192 170 LYS CA C 60.053 0.3 1 806 192 170 LYS CB C 32.037 0.3 1 807 192 170 LYS N N 118.839 0.3 1 808 193 171 PHE H H 7.811 0.03 1 809 193 171 PHE C C 176.771 0.3 1 810 193 171 PHE CA C 57.793 0.3 1 811 193 171 PHE CB C 38.837 0.3 1 812 193 171 PHE N N 114.256 0.3 1 813 194 172 LEU H H 8.057 0.03 1 814 194 172 LEU C C 176.611 0.3 1 815 194 172 LEU CA C 56.795 0.3 1 816 194 172 LEU CB C 42.737 0.3 1 817 194 172 LEU N N 115.409 0.3 1 818 195 173 PHE H H 7.814 0.03 1 819 195 173 PHE C C 176.975 0.3 1 820 195 173 PHE CA C 56.593 0.3 1 821 195 173 PHE CB C 40.494 0.3 1 822 195 173 PHE N N 112.606 0.3 1 823 196 174 GLY H H 7.438 0.03 1 824 196 174 GLY C C 174.202 0.3 1 825 196 174 GLY CA C 45.352 0.3 1 826 196 174 GLY N N 110.207 0.3 1 827 197 175 SER H H 8.681 0.03 1 828 197 175 SER C C 175.242 0.3 1 829 197 175 SER CA C 58.020 0.3 1 830 197 175 SER CB C 64.048 0.3 1 831 197 175 SER N N 113.921 0.3 1 832 198 176 ALA H H 7.456 0.03 1 833 198 176 ALA C C 176.187 0.3 1 834 198 176 ALA CA C 55.289 0.3 1 835 198 176 ALA CB C 19.233 0.3 1 836 198 176 ALA N N 122.767 0.3 1 837 199 177 LEU H H 7.993 0.03 1 838 199 177 LEU C C 176.143 0.3 1 839 199 177 LEU CA C 52.246 0.3 1 840 199 177 LEU CB C 46.917 0.3 1 841 199 177 LEU N N 113.538 0.3 1 842 200 178 SER H H 10.428 0.03 1 843 200 178 SER C C 175.215 0.3 1 844 200 178 SER CA C 57.869 0.3 1 845 200 178 SER CB C 64.769 0.3 1 846 200 178 SER N N 118.533 0.3 1 847 201 179 GLU H H 8.853 0.03 1 848 201 179 GLU C C 178.894 0.3 1 849 201 179 GLU CA C 60.039 0.3 1 850 201 179 GLU CB C 29.367 0.3 1 851 201 179 GLU N N 122.566 0.3 1 852 202 180 MET H H 8.389 0.03 1 853 202 180 MET C C 178.992 0.3 1 854 202 180 MET CA C 58.637 0.3 1 855 202 180 MET CB C 32.037 0.3 1 856 202 180 MET N N 115.549 0.3 1 857 203 181 ASN H H 7.502 0.03 1 858 203 181 ASN C C 177.236 0.3 1 859 203 181 ASN CA C 54.592 0.3 1 860 203 181 ASN CB C 38.597 0.3 1 861 203 181 ASN N N 119.515 0.3 1 862 204 182 GLN H H 8.895 0.03 1 863 204 182 GLN C C 178.577 0.3 1 864 204 182 GLN CA C 60.033 0.3 1 865 204 182 GLN CB C 27.617 0.3 1 866 204 182 GLN N N 123.825 0.3 1 867 205 183 LYS H H 7.621 0.03 1 868 205 183 LYS C C 179.565 0.3 1 869 205 183 LYS CA C 57.940 0.3 1 870 205 183 LYS CB C 31.508 0.3 1 871 205 183 LYS CE C 42.258 0.3 1 872 205 183 LYS N N 115.890 0.3 1 873 206 184 LYS H H 7.476 0.03 1 874 206 184 LYS C C 177.551 0.3 1 875 206 184 LYS CA C 59.175 0.3 1 876 206 184 LYS CB C 31.971 0.3 1 877 206 184 LYS CE C 41.687 0.3 1 878 206 184 LYS N N 123.051 0.3 1 879 207 185 LEU H H 7.893 0.03 1 880 207 185 LEU C C 178.259 0.3 1 881 207 185 LEU CA C 57.875 0.3 1 882 207 185 LEU CB C 41.736 0.3 1 883 207 185 LEU N N 120.463 0.3 1 884 208 186 GLU H H 8.272 0.03 1 885 208 186 GLU C C 178.448 0.3 1 886 208 186 GLU CA C 60.244 0.3 1 887 208 186 GLU CB C 30.412 0.3 1 888 208 186 GLU N N 116.970 0.3 1 889 209 187 SER H H 8.224 0.03 1 890 209 187 SER C C 177.622 0.3 1 891 209 187 SER CA C 61.981 0.3 1 892 209 187 SER N N 114.783 0.3 1 893 210 188 TRP H H 7.913 0.03 1 894 210 188 TRP C C 176.308 0.3 1 895 210 188 TRP CA C 58.389 0.3 1 896 210 188 TRP CB C 28.799 0.3 1 897 210 188 TRP N N 123.167 0.3 1 898 211 189 MET H H 7.524 0.03 1 899 211 189 MET C C 180.738 0.3 1 900 211 189 MET CA C 58.592 0.3 1 901 211 189 MET CB C 36.316 0.3 1 902 211 189 MET N N 113.620 0.3 1 903 212 190 VAL H H 9.404 0.03 1 904 212 190 VAL C C 178.741 0.3 1 905 212 190 VAL CA C 66.367 0.3 1 906 212 190 VAL CB C 32.860 0.3 1 907 212 190 VAL N N 124.657 0.3 1 908 213 191 ASN H H 7.929 0.03 1 909 213 191 ASN C C 173.259 0.3 1 910 213 191 ASN CA C 54.208 0.3 1 911 213 191 ASN CB C 38.680 0.3 1 912 213 191 ASN N N 115.803 0.3 1 913 214 192 ASN H H 6.903 0.03 1 914 214 192 ASN C C 177.400 0.3 1 915 214 192 ASN CA C 55.379 0.3 1 916 214 192 ASN CB C 39.277 0.3 1 917 214 192 ASN N N 118.351 0.3 1 918 215 193 GLN H H 9.440 0.03 1 919 215 193 GLN C C 178.982 0.3 1 920 215 193 GLN CA C 56.283 0.3 1 921 215 193 GLN CB C 30.792 0.3 1 922 215 193 GLN N N 125.944 0.3 1 923 216 194 VAL H H 8.339 0.03 1 924 216 194 VAL C C 176.607 0.3 1 925 216 194 VAL CA C 61.677 0.3 1 926 216 194 VAL CB C 31.995 0.3 1 927 216 194 VAL N N 112.368 0.3 1 928 217 195 THR H H 8.004 0.03 1 929 217 195 THR C C 177.411 0.3 1 930 217 195 THR CA C 60.656 0.3 1 931 217 195 THR CB C 67.881 0.3 1 932 217 195 THR N N 109.253 0.3 1 933 218 196 GLY H H 9.141 0.03 1 934 218 196 GLY C C 172.784 0.3 1 935 218 196 GLY CA C 47.801 0.3 1 936 218 196 GLY N N 116.141 0.3 1 937 219 197 ASN H H 8.127 0.03 1 938 219 197 ASN C C 174.642 0.3 1 939 219 197 ASN CA C 52.473 0.3 1 940 219 197 ASN CB C 37.022 0.3 1 941 219 197 ASN N N 113.177 0.3 1 942 220 198 LEU H H 7.214 0.03 1 943 220 198 LEU C C 177.449 0.3 1 944 220 198 LEU CA C 52.055 0.3 1 945 220 198 LEU CB C 40.720 0.3 1 946 220 198 LEU N N 116.180 0.3 1 947 221 199 LEU H H 7.099 0.03 1 948 221 199 LEU C C 178.274 0.3 1 949 221 199 LEU CA C 58.047 0.3 1 950 221 199 LEU CB C 41.608 0.3 1 951 221 199 LEU N N 126.064 0.3 1 952 222 200 ARG H H 8.824 0.03 1 953 222 200 ARG C C 176.891 0.3 1 954 222 200 ARG CA C 60.161 0.3 1 955 222 200 ARG CB C 30.166 0.3 1 956 222 200 ARG N N 116.526 0.3 1 957 223 201 SER H H 7.468 0.03 1 958 223 201 SER C C 174.764 0.3 1 959 223 201 SER CA C 61.188 0.3 1 960 223 201 SER CB C 63.997 0.3 1 961 223 201 SER N N 112.785 0.3 1 962 224 202 VAL H H 7.212 0.03 1 963 224 202 VAL C C 173.681 0.3 1 964 224 202 VAL CA C 59.718 0.3 1 965 224 202 VAL CB C 32.103 0.3 1 966 224 202 VAL N N 112.658 0.3 1 967 225 203 LEU H H 6.642 0.03 1 968 225 203 LEU C C 174.609 0.3 1 969 225 203 LEU CA C 52.847 0.3 1 970 225 203 LEU CB C 43.995 0.3 1 971 225 203 LEU N N 125.608 0.3 1 972 226 204 PRO C C 175.613 0.3 1 973 226 204 PRO CA C 62.295 0.3 1 974 226 204 PRO CB C 30.650 0.3 1 975 227 205 ALA H H 8.157 0.03 1 976 227 205 ALA C C 179.259 0.3 1 977 227 205 ALA CA C 53.584 0.3 1 978 227 205 ALA CB C 18.028 0.3 1 979 227 205 ALA N N 124.379 0.3 1 980 228 206 GLY H H 8.665 0.03 1 981 228 206 GLY C C 174.820 0.3 1 982 228 206 GLY CA C 45.479 0.3 1 983 228 206 GLY N N 110.763 0.3 1 984 229 207 TRP H H 7.946 0.03 1 985 229 207 TRP C C 174.331 0.3 1 986 229 207 TRP CA C 57.292 0.3 1 987 229 207 TRP CB C 28.999 0.3 1 988 229 207 TRP N N 121.639 0.3 1 989 230 208 ASN H H 8.766 0.03 1 990 230 208 ASN C C 172.176 0.3 1 991 230 208 ASN CA C 51.754 0.3 1 992 230 208 ASN CB C 40.969 0.3 1 993 230 208 ASN N N 117.921 0.3 1 994 231 209 ILE H H 7.972 0.03 1 995 231 209 ILE C C 170.395 0.3 1 996 231 209 ILE CA C 58.857 0.3 1 997 231 209 ILE CB C 40.408 0.3 1 998 231 209 ILE N N 114.763 0.3 1 999 232 210 ALA H H 9.058 0.03 1 1000 232 210 ALA C C 175.974 0.3 1 1001 232 210 ALA CA C 50.144 0.3 1 1002 232 210 ALA CB C 21.933 0.3 1 1003 232 210 ALA N N 129.128 0.3 1 1004 233 211 ASP H H 8.289 0.03 1 1005 233 211 ASP C C 174.577 0.3 1 1006 233 211 ASP CA C 53.754 0.3 1 1007 233 211 ASP CB C 44.535 0.3 1 1008 233 211 ASP N N 120.964 0.3 1 1009 234 212 ARG H H 7.845 0.03 1 1010 234 212 ARG C C 172.791 0.3 1 1011 234 212 ARG CA C 57.972 0.3 1 1012 234 212 ARG CB C 33.964 0.3 1 1013 234 212 ARG N N 118.950 0.3 1 1014 235 213 SER H H 8.665 0.03 1 1015 235 213 SER C C 172.472 0.3 1 1016 235 213 SER CA C 57.490 0.3 1 1017 235 213 SER CB C 67.931 0.3 1 1018 235 213 SER N N 124.914 0.3 1 1019 236 214 GLY H H 8.627 0.03 1 1020 236 214 GLY C C 173.000 0.3 1 1021 236 214 GLY CA C 45.965 0.3 1 1022 236 214 GLY N N 103.849 0.3 1 1023 237 215 ALA C C 176.039 0.3 1 1024 237 215 ALA CA C 51.965 0.3 1 1025 237 215 ALA CB C 22.993 0.3 1 1026 238 216 GLY H H 8.340 0.03 1 1027 238 216 GLY C C 172.658 0.3 1 1028 238 216 GLY CA C 46.037 0.3 1 1029 238 216 GLY N N 107.381 0.3 1 1030 240 217 GLY H H 8.691 0.03 1 1031 240 217 GLY C C 173.759 0.3 1 1032 240 217 GLY CA C 45.654 0.3 1 1033 240 217 GLY N N 108.379 0.3 1 1034 241 218 PHE H H 8.505 0.03 1 1035 241 218 PHE C C 175.329 0.3 1 1036 241 218 PHE CA C 59.392 0.3 1 1037 241 218 PHE CB C 36.464 0.3 1 1038 241 218 PHE N N 115.393 0.3 1 1039 242 219 GLY H H 8.532 0.03 1 1040 242 219 GLY C C 174.611 0.3 1 1041 242 219 GLY CA C 45.660 0.3 1 1042 242 219 GLY N N 103.081 0.3 1 1043 243 220 ALA H H 7.545 0.03 1 1044 243 220 ALA C C 179.200 0.3 1 1045 243 220 ALA CA C 53.106 0.3 1 1046 243 220 ALA CB C 17.332 0.3 1 1047 243 220 ALA N N 123.551 0.3 1 1048 244 221 ARG H H 8.572 0.03 1 1049 244 221 ARG C C 173.796 0.3 1 1050 244 221 ARG CA C 55.217 0.3 1 1051 244 221 ARG CB C 33.640 0.3 1 1052 244 221 ARG N N 123.904 0.3 1 1053 245 222 SER H H 8.742 0.03 1 1054 245 222 SER C C 174.070 0.3 1 1055 245 222 SER CA C 56.604 0.3 1 1056 245 222 SER CB C 67.315 0.3 1 1057 245 222 SER N N 118.211 0.3 1 1058 246 223 ILE H H 8.802 0.03 1 1059 246 223 ILE C C 171.242 0.3 1 1060 246 223 ILE CA C 60.792 0.3 1 1061 246 223 ILE CB C 41.769 0.3 1 1062 246 223 ILE N N 114.648 0.3 1 1063 247 224 THR H H 8.638 0.03 1 1064 247 224 THR C C 174.921 0.3 1 1065 247 224 THR CA C 57.493 0.3 1 1066 247 224 THR CB C 71.782 0.3 1 1067 247 224 THR N N 114.146 0.3 1 1068 248 225 ALA H H 10.176 0.03 1 1069 248 225 ALA C C 173.474 0.3 1 1070 248 225 ALA CA C 49.896 0.3 1 1071 248 225 ALA CB C 24.442 0.3 1 1072 248 225 ALA N N 128.458 0.3 1 1073 249 226 VAL H H 9.563 0.03 1 1074 249 226 VAL C C 175.684 0.3 1 1075 249 226 VAL CA C 61.027 0.3 1 1076 249 226 VAL CB C 33.896 0.3 1 1077 249 226 VAL N N 122.214 0.3 1 1078 250 227 VAL H H 9.390 0.03 1 1079 250 227 VAL C C 174.559 0.3 1 1080 250 227 VAL CA C 58.878 0.3 1 1081 250 227 VAL CB C 35.358 0.3 1 1082 250 227 VAL N N 119.384 0.3 1 1083 251 228 TRP H H 8.202 0.03 1 1084 251 228 TRP C C 171.788 0.3 1 1085 251 228 TRP CA C 57.205 0.3 1 1086 251 228 TRP CB C 31.379 0.3 1 1087 251 228 TRP N N 119.863 0.3 1 1088 252 229 SER H H 8.760 0.03 1 1089 252 229 SER C C 173.706 0.3 1 1090 252 229 SER CA C 56.183 0.3 1 1091 252 229 SER CB C 66.411 0.3 1 1092 252 229 SER N N 115.770 0.3 1 1093 254 230 GLU H H 8.520 0.03 1 1094 254 230 GLU C C 176.780 0.3 1 1095 254 230 GLU CA C 59.012 0.3 1 1096 254 230 GLU CB C 29.398 0.3 1 1097 254 230 GLU N N 118.502 0.3 1 1098 255 231 HIS H H 7.835 0.03 1 1099 255 231 HIS C C 173.190 0.3 1 1100 255 231 HIS CA C 54.913 0.3 1 1101 255 231 HIS CB C 30.620 0.3 1 1102 255 231 HIS N N 112.999 0.3 1 1103 256 232 GLN H H 7.305 0.03 1 1104 256 232 GLN C C 173.289 0.3 1 1105 256 232 GLN CA C 54.126 0.3 1 1106 256 232 GLN CB C 29.845 0.3 1 1107 256 232 GLN N N 122.758 0.3 1 1108 257 233 ALA H H 8.394 0.03 1 1109 257 233 ALA C C 174.582 0.3 1 1110 257 233 ALA CA C 50.968 0.3 1 1111 257 233 ALA CB C 17.216 0.3 1 1112 257 233 ALA N N 131.346 0.3 1 1113 258 234 PRO C C 176.066 0.3 1 1114 258 234 PRO CA C 63.637 0.3 1 1115 258 234 PRO CB C 31.717 0.3 1 1116 259 235 ILE H H 9.396 0.03 1 1117 259 235 ILE C C 175.461 0.3 1 1118 259 235 ILE CA C 59.130 0.3 1 1119 259 235 ILE CB C 40.888 0.3 1 1120 259 235 ILE N N 126.221 0.3 1 1121 260 236 ILE H H 9.434 0.03 1 1122 260 236 ILE C C 175.122 0.3 1 1123 260 236 ILE CA C 60.809 0.3 1 1124 260 236 ILE CB C 39.320 0.3 1 1125 260 236 ILE N N 125.637 0.3 1 1126 261 237 VAL H H 9.818 0.03 1 1127 261 237 VAL C C 174.375 0.3 1 1128 261 237 VAL CA C 60.892 0.3 1 1129 261 237 VAL CB C 35.374 0.3 1 1130 261 237 VAL N N 127.475 0.3 1 1131 262 238 SER H H 9.284 0.03 1 1132 262 238 SER C C 172.891 0.3 1 1133 262 238 SER CA C 56.948 0.3 1 1134 262 238 SER CB C 65.725 0.3 1 1135 262 238 SER N N 123.270 0.3 1 1136 263 239 ILE H H 8.785 0.03 1 1137 263 239 ILE C C 172.931 0.3 1 1138 263 239 ILE CA C 61.066 0.3 1 1139 263 239 ILE CB C 41.821 0.3 1 1140 263 239 ILE N N 122.264 0.3 1 1141 264 240 TYR H H 9.374 0.03 1 1142 264 240 TYR C C 172.458 0.3 1 1143 264 240 TYR CA C 57.421 0.3 1 1144 264 240 TYR CB C 42.098 0.3 1 1145 264 240 TYR N N 125.862 0.3 1 1146 265 241 LEU H H 9.046 0.03 1 1147 265 241 LEU C C 177.099 0.3 1 1148 265 241 LEU CA C 54.190 0.3 1 1149 265 241 LEU CB C 45.595 0.3 1 1150 265 241 LEU N N 119.852 0.3 1 1151 266 242 ALA H H 9.455 0.03 1 1152 266 242 ALA C C 174.309 0.3 1 1153 266 242 ALA CA C 52.093 0.3 1 1154 266 242 ALA CB C 23.741 0.3 1 1155 266 242 ALA N N 123.755 0.3 1 1156 267 243 GLN H H 8.746 0.03 1 1157 267 243 GLN C C 173.549 0.3 1 1158 267 243 GLN CA C 56.611 0.3 1 1159 267 243 GLN CB C 25.689 0.3 1 1160 267 243 GLN N N 117.726 0.3 1 1161 268 244 THR H H 8.257 0.03 1 1162 268 244 THR C C 173.634 0.3 1 1163 268 244 THR CA C 59.287 0.3 1 1164 268 244 THR CB C 69.252 0.3 1 1165 268 244 THR N N 111.535 0.3 1 1166 269 245 GLN H H 8.988 0.03 1 1167 269 245 GLN C C 175.478 0.3 1 1168 269 245 GLN CA C 55.727 0.3 1 1169 269 245 GLN CB C 28.976 0.3 1 1170 269 245 GLN N N 127.498 0.3 1 1171 270 246 ALA H H 8.305 0.03 1 1172 270 246 ALA C C 177.795 0.3 1 1173 270 246 ALA CA C 52.752 0.3 1 1174 270 246 ALA CB C 20.895 0.3 1 1175 270 246 ALA N N 124.314 0.3 1 1176 271 247 SER H H 9.005 0.03 1 1177 271 247 SER C C 175.405 0.3 1 1178 271 247 SER CA C 58.097 0.3 1 1179 271 247 SER CB C 65.170 0.3 1 1180 271 247 SER N N 119.595 0.3 1 1181 272 248 MET H H 9.210 0.03 1 1182 272 248 MET C C 177.558 0.3 1 1183 272 248 MET CA C 58.047 0.3 1 1184 272 248 MET CB C 30.708 0.3 1 1185 272 248 MET N N 122.412 0.3 1 1186 273 249 GLU H H 8.895 0.03 1 1187 273 249 GLU C C 179.057 0.3 1 1188 273 249 GLU CA C 60.893 0.3 1 1189 273 249 GLU CB C 28.773 0.3 1 1190 273 249 GLU N N 117.975 0.3 1 1191 274 250 GLU H H 7.723 0.03 1 1192 274 250 GLU C C 180.262 0.3 1 1193 274 250 GLU CA C 59.250 0.3 1 1194 274 250 GLU CB C 30.437 0.3 1 1195 274 250 GLU N N 119.211 0.3 1 1196 275 251 ARG H H 8.255 0.03 1 1197 275 251 ARG C C 177.264 0.3 1 1198 275 251 ARG CA C 60.505 0.3 1 1199 275 251 ARG CB C 30.644 0.3 1 1200 275 251 ARG N N 119.753 0.3 1 1201 276 252 ASN H H 8.908 0.03 1 1202 276 252 ASN C C 177.138 0.3 1 1203 276 252 ASN CA C 55.652 0.3 1 1204 276 252 ASN CB C 37.005 0.3 1 1205 276 252 ASN N N 119.597 0.3 1 1206 277 253 ASP H H 8.126 0.03 1 1207 277 253 ASP C C 177.953 0.3 1 1208 277 253 ASP CA C 57.059 0.3 1 1209 277 253 ASP CB C 40.890 0.3 1 1210 277 253 ASP N N 118.574 0.3 1 1211 278 254 ALA H H 7.696 0.03 1 1212 278 254 ALA C C 178.867 0.3 1 1213 278 254 ALA CA C 55.245 0.3 1 1214 278 254 ALA CB C 19.383 0.3 1 1215 278 254 ALA N N 121.408 0.3 1 1216 279 255 ILE H H 7.437 0.03 1 1217 279 255 ILE C C 177.349 0.3 1 1218 279 255 ILE CA C 65.684 0.3 1 1219 279 255 ILE CB C 36.653 0.3 1 1220 279 255 ILE N N 116.739 0.3 1 1221 280 256 VAL H H 8.064 0.03 1 1222 280 256 VAL C C 177.364 0.3 1 1223 280 256 VAL CA C 67.903 0.3 1 1224 280 256 VAL CB C 31.570 0.3 1 1225 280 256 VAL N N 119.684 0.3 1 1226 281 257 LYS H H 8.471 0.03 1 1227 281 257 LYS C C 179.840 0.3 1 1228 281 257 LYS CA C 59.772 0.3 1 1229 281 257 LYS CB C 32.462 0.3 1 1230 281 257 LYS N N 120.067 0.3 1 1231 282 258 ILE H H 8.196 0.03 1 1232 282 258 ILE C C 177.963 0.3 1 1233 282 258 ILE CA C 65.947 0.3 1 1234 282 258 ILE CB C 38.229 0.3 1 1235 282 258 ILE N N 119.658 0.3 1 1236 283 259 GLY H H 8.738 0.03 1 1237 283 259 GLY C C 173.267 0.3 1 1238 283 259 GLY CA C 47.183 0.3 1 1239 283 259 GLY N N 106.140 0.3 1 1240 284 260 HIS H H 9.068 0.03 1 1241 284 260 HIS C C 176.922 0.3 1 1242 284 260 HIS CA C 59.061 0.3 1 1243 284 260 HIS CB C 28.570 0.3 1 1244 284 260 HIS N N 119.327 0.3 1 1245 285 261 SER H H 7.990 0.03 1 1246 285 261 SER C C 177.124 0.3 1 1247 285 261 SER CA C 62.303 0.3 1 1248 285 261 SER N N 115.446 0.3 1 1249 286 262 ILE H H 7.958 0.03 1 1250 286 262 ILE C C 177.941 0.3 1 1251 286 262 ILE CA C 66.138 0.3 1 1252 286 262 ILE CB C 38.143 0.3 1 1253 286 262 ILE N N 121.393 0.3 1 1254 287 263 PHE H H 8.713 0.03 1 1255 287 263 PHE C C 179.121 0.3 1 1256 287 263 PHE CA C 59.257 0.3 1 1257 287 263 PHE CB C 36.592 0.3 1 1258 287 263 PHE N N 118.240 0.3 1 1259 288 264 ASP H H 8.344 0.03 1 1260 288 264 ASP C C 178.827 0.3 1 1261 288 264 ASP CA C 56.918 0.3 1 1262 288 264 ASP CB C 40.482 0.3 1 1263 288 264 ASP N N 119.812 0.3 1 1264 289 265 VAL H H 7.495 0.03 1 1265 289 265 VAL C C 177.805 0.3 1 1266 289 265 VAL CA C 66.040 0.3 1 1267 289 265 VAL CB C 30.900 0.3 1 1268 289 265 VAL N N 120.163 0.3 1 1269 290 266 TYR H H 7.340 0.03 1 1270 290 266 TYR C C 177.868 0.3 1 1271 290 266 TYR CA C 61.326 0.3 1 1272 290 266 TYR CB C 40.319 0.3 1 1273 290 266 TYR N N 116.202 0.3 1 1274 291 267 THR H H 8.416 0.03 1 1275 291 267 THR C C 175.895 0.3 1 1276 291 267 THR CA C 62.896 0.3 1 1277 291 267 THR CB C 69.634 0.3 1 1278 291 267 THR N N 111.102 0.3 1 1279 292 268 SER H H 7.901 0.03 1 1280 292 268 SER C C 174.805 0.3 1 1281 292 268 SER CA C 59.381 0.3 1 1282 292 268 SER CB C 63.655 0.3 1 1283 292 268 SER N N 117.203 0.3 1 1284 293 269 GLN H H 8.053 0.03 1 1285 293 269 GLN C C 175.920 0.3 1 1286 293 269 GLN CA C 56.002 0.3 1 1287 293 269 GLN CB C 29.292 0.3 1 1288 293 269 GLN N N 120.892 0.3 1 1289 294 270 SER H H 8.195 0.03 1 1290 294 270 SER C C 173.526 0.3 1 1291 294 270 SER CA C 58.429 0.3 1 1292 294 270 SER CB C 63.833 0.3 1 1293 294 270 SER N N 116.961 0.3 1 1294 295 271 ARG H H 7.930 0.03 1 1295 295 271 ARG C C 180.933 0.3 1 1296 295 271 ARG CA C 57.485 0.3 1 1297 295 271 ARG CB C 31.420 0.3 1 1298 295 271 ARG N N 128.107 0.3 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_4 $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 LYS N 591.751 50.564 2 5 PHE N 702.839 9.386 3 6 GLN N 759.013 13.999 4 7 GLN N 714.694 18.439 5 8 VAL N 775.916 10.114 6 9 GLU N 760.225 24.909 7 10 GLN N 777.545 19.286 8 11 ASP N 735.510 10.549 9 12 VAL N 758.898 14.053 10 13 LYS N 754.318 16.330 11 14 ALA N 756.830 9.508 12 15 ILE N 771.784 14.713 13 17 VAL N 808.277 9.996 14 18 SER N 747.719 14.257 15 20 SER N 871.384 13.288 16 22 ARG N 815.927 12.250 17 23 ILE N 795.608 13.799 18 24 GLY N 752.162 26.477 19 25 VAL N 753.977 15.178 20 26 SER N 742.887 23.124 21 27 VAL N 744.713 18.579 22 28 LEU N 780.214 18.323 23 29 ASP N 757.978 15.857 24 30 THR N 731.850 18.907 25 31 GLN N 716.743 7.963 26 32 ASN N 741.785 14.857 27 33 GLY N 728.863 9.190 28 34 GLU N 760.225 9.941 29 35 TYR N 764.877 18.546 30 36 TRP N 809.323 21.943 31 37 ASP N 823.520 8.138 32 38 TYR N 821.490 22.607 33 39 ASN N 720.150 21.989 34 40 GLY N 802.826 16.951 35 41 ASN N 722.126 21.380 36 42 GLN N 744.380 11.193 37 43 ARG N 768.699 10.282 38 44 PHE N 723.903 36.158 39 46 LEU N 706.514 30.050 40 47 THR N 682.547 24.412 41 49 THR N 639.754 16.044 42 51 LYS N 680.087 21.646 43 52 THR N 717.927 23.400 44 53 ILE N 686.389 17.149 45 54 ALA N 736.757 23.884 46 55 CYS N 774.174 19.359 47 56 ALA N 746.046 11.466 48 57 LYS N 717.927 17.267 49 59 LEU N 779.606 18.051 50 60 TYR N 732.118 13.239 51 61 ASP N 739.372 11.425 52 62 ALA N 750.582 9.352 53 63 GLU N 773.635 10.773 54 64 GLN N 782.289 17.074 55 65 GLY N 795.925 9.692 56 66 LYS N 835.143 11.578 57 67 VAL N 844.523 7.560 58 70 ASN N 712.911 9.758 59 71 SER N 784.129 14.449 60 72 THR N 817.996 19.538 61 73 VAL N 795.735 13.107 62 74 GLU N 812.744 10.503 63 75 ILE N 772.260 12.703 64 76 LYS N 806.387 12.030 65 78 ALA N 775.555 24.180 66 79 ASP N 775.675 12.394 67 80 LEU N 833.611 8.895 68 83 TYR N 703.680 12.330 69 84 SER N 695.410 36.125 70 86 VAL N 743.218 15.908 71 87 ILE N 803.277 42.264 72 88 GLU N 798.722 13.844 73 89 LYS N 802.955 16.892 74 90 GLN N 808.211 18.682 75 91 VAL N 821.693 18.162 76 92 GLY N 735.078 14.319 77 93 GLN N 836.470 9.306 78 94 ALA N 848.392 7.414 79 95 ILE N 792.079 27.982 80 96 THR N 743.826 21.357 81 97 LEU N 781.677 17.109 82 98 ASP N 783.147 21.221 83 99 ASP N 802.697 28.544 84 100 ALA N 746.269 11.250 85 101 CYS N 761.789 11.955 86 102 PHE N 788.768 16.425 87 104 THR N 734.646 17.540 88 105 MET N 718.494 20.133 89 106 THR N 752.955 26.476 90 107 THR N 730.994 22.550 91 108 SER N 653.680 29.441 92 109 ASP N 699.643 19.140 93 110 ASN N 656.685 18.026 94 111 THR N 693.626 32.283 95 112 ALA N 720.305 15.046 96 113 ALA N 729.927 15.504 97 114 ASN N 718.030 17.220 98 115 ILE N 716.794 14.181 99 116 ILE N 750.019 15.413 100 117 LEU N 706.914 19.439 101 118 SER N 731.368 13.747 102 119 ALA N 765.404 11.482 103 120 VAL N 764.818 19.245 104 121 GLY N 728.491 20.273 105 122 GLY N 702.001 13.848 106 125 GLY N 741.015 11.257 107 126 VAL N 744.657 14.140 108 127 THR N 742.666 13.954 109 128 ASP N 765.990 16.840 110 129 PHE N 747.552 18.497 111 130 LEU N 737.844 18.837 112 131 ARG N 764.877 16.088 113 132 GLN N 759.936 18.711 114 133 ILE N 751.258 13.094 115 134 GLY N 768.580 21.266 116 135 ASP N 784.806 18.909 117 136 LYS N 784.991 38.575 118 138 THR N 750.920 14.943 119 139 ARG N 678.472 15.789 120 140 LEU N 718.030 17.065 121 141 ASP N 746.882 33.303 122 142 ARG N 823.181 34.491 123 143 ILE N 796.369 20.738 124 144 GLU N 751.541 27.337 125 147 LEU N 714.898 35.724 126 149 GLU N 732.225 22.787 127 150 GLY N 711.136 37.322 128 153 GLY N 714.796 63.918 129 154 ASP N 721.709 18.699 130 155 LEU N 661.551 33.786 131 156 ARG N 653.509 24.215 132 157 ASP N 730.887 20.941 133 158 THR N 691.754 24.309 134 159 THR N 713.929 18.604 135 160 THR N 740.850 13.173 136 164 ILE N 738.880 14.577 137 165 ALA N 721.449 9.421 138 166 SER N 776.277 12.835 139 168 LEU N 726.586 11.403 140 169 ASN N 738.389 18.756 141 170 LYS N 716.281 31.553 142 171 PHE N 733.030 15.421 143 172 LEU N 743.937 18.651 144 173 PHE N 759.186 29.049 145 174 GLY N 810.964 11.772 146 175 SER N 666.800 89.147 147 176 ALA N 754.831 20.227 148 177 LEU N 788.022 13.786 149 178 SER N 863.483 18.938 150 179 GLU N 731.904 16.820 151 180 MET N 721.657 14.009 152 181 ASN N 734.484 23.844 153 183 LYS N 737.083 11.463 154 184 LYS N 740.686 9.820 155 185 LEU N 729.288 13.616 156 186 GLU N 721.189 14.251 157 187 SER N 721.709 10.157 158 188 TRP N 713.674 12.733 159 189 MET N 725.321 26.936 160 190 VAL N 687.427 15.547 161 191 ASN N 731.743 22.596 162 192 ASN N 756.372 21.911 163 193 GLN N 774.833 19.692 164 194 VAL N 703.532 16.185 165 195 THR N 674.309 27.918 166 196 GLY N 631.872 77.058 167 197 ASN N 680.874 49.187 168 198 LEU N 748.335 20.160 169 199 LEU N 758.438 41.934 170 200 ARG N 733.568 26.368 171 201 SER N 691.994 21.501 172 202 VAL N 727.643 32.562 173 203 LEU N 846.525 11.681 174 205 ALA N 845.523 22.305 175 206 GLY N 761.963 48.653 176 207 TRP N 748.055 14.270 177 208 ASN N 779.666 16.170 178 209 ILE N 794.344 19.750 179 210 ALA N 786.287 23.184 180 211 ASP N 747.943 26.964 181 212 ARG N 809.848 31.743 182 213 SER N 682.314 134.452 183 214 GLY N 800.064 38.086 184 216 GLY N 793.777 24.510 185 217 GLY N 710.227 17.655 186 218 PHE N 678.334 17.807 187 219 GLY N 755.116 16.194 188 220 ALA N 721.813 28.031 189 221 ARG N 714.643 19.611 190 223 ILE N 750.413 17.231 191 224 THR N 727.167 25.064 192 225 ALA N 774.773 13.386 193 226 VAL N 796.305 17.818 194 227 VAL N 729.874 15.449 195 229 SER N 722.596 16.500 196 230 GLU N 670.961 40.517 197 231 HIS N 682.314 71.230 198 232 GLN N 839.842 17.140 199 233 ALA N 823.927 11.948 200 235 ILE N 744.048 15.944 201 236 ILE N 767.754 21.574 202 237 VAL N 802.439 29.298 203 238 SER N 784.991 17.131 204 239 ILE N 773.934 16.232 205 240 TYR N 817.728 20.796 206 241 LEU N 783.760 23.343 207 242 ALA N 849.401 12.987 208 243 GLN N 811.425 30.879 209 244 THR N 797.639 28.694 210 245 GLN N 748.559 38.047 211 247 SER N 798.467 24.801 212 248 MET N 715.410 117.102 213 249 GLU N 697.837 18.895 214 250 GLU N 782.534 25.413 215 251 ARG N 743.108 15.517 216 252 ASN N 741.180 23.842 217 254 ALA N 791.578 14.662 218 255 ILE N 794.534 14.583 219 256 VAL N 747.049 23.607 220 257 LYS N 750.525 15.434 221 259 GLY N 736.974 17.380 222 260 HIS N 739.098 10.270 223 261 SER N 759.648 13.734 224 262 ILE N 768.521 24.747 225 264 ASP N 727.908 15.101 226 265 VAL N 776.759 19.730 227 266 TYR N 782.044 28.317 228 267 THR N 728.597 12.528 229 268 SER N 610.314 27.564 230 269 GLN N 555.864 50.828 231 270 SER N 594.636 57.918 232 271 ARG N 932.662 9.394 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_4 $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 LYS N 787.774 33.822 2 5 PHE N 916.170 12.087 3 6 GLN N 1016.160 12.701 4 7 GLN N 897.022 17.541 5 8 VAL N 985.319 15.145 6 9 GLU N 998.801 16.560 7 10 GLN N 1057.980 14.999 8 11 ASP N 891.345 58.395 9 12 VAL N 1001.900 18.269 10 13 LYS N 984.155 15.013 11 14 ALA N 998.901 14.069 12 15 ILE N 977.422 17.865 13 17 VAL N 1021.660 17.014 14 18 SER N 993.542 12.931 15 20 SER N 1120.450 17.325 16 22 ARG N 1091.230 18.933 17 23 ILE N 1048.000 22.845 18 24 GLY N 1029.970 23.763 19 25 VAL N 1016.880 21.818 20 26 SER N 983.284 20.304 21 27 VAL N 1083.310 31.334 22 28 LEU N 1016.570 26.559 23 29 ASP N 974.944 25.284 24 30 THR N 1012.860 52.628 25 31 GLN N 918.021 11.799 26 32 ASN N 936.593 15.351 27 33 GLY N 953.743 16.373 28 34 GLU N 944.198 12.570 29 35 TYR N 1026.690 21.715 30 36 TRP N 1068.490 29.683 31 37 ASP N 1124.990 12.403 32 38 TYR N 1103.750 29.360 33 39 ASN N 1012.660 24.406 34 40 GLY N 1111.230 25.438 35 41 ASN N 999.800 16.993 36 42 GLN N 1022.180 19.121 37 43 ARG N 1010.310 39.502 38 44 PHE N 985.804 27.502 39 46 LEU N 967.212 41.443 40 47 THR N 958.405 38.028 41 49 THR N 944.912 23.125 42 51 LYS N 933.097 19.764 43 52 THR N 1028.490 17.559 44 53 ILE N 945.358 27.973 45 54 ALA N 977.231 20.914 46 55 CYS N 1032.950 16.858 47 56 ALA N 981.643 14.069 48 57 LYS N 940.822 14.516 49 59 LEU N 1015.230 25.149 50 60 TYR N 944.912 20.268 51 61 ASP N 957.671 18.067 52 62 ALA N 985.028 15.427 53 63 GLU N 1021.350 15.960 54 64 GLN N 1027.330 16.253 55 65 GLY N 1050.420 16.551 56 66 LYS N 1054.300 17.674 57 67 VAL N 1108.770 11.187 58 70 ASN N 985.804 12.536 59 71 SER N 1069.180 14.289 60 72 THR N 1089.560 13.534 61 73 VAL N 1021.760 20.984 62 74 GLU N 1058.090 13.883 63 75 ILE N 994.728 21.274 64 76 LYS N 1025.850 18.627 65 78 ALA N 1018.540 18.155 66 79 ASP N 1009.590 13.964 67 80 LEU N 1098.060 17.242 68 83 TYR N 986.096 19.739 69 84 SER N 987.557 30.331 70 86 VAL N 937.910 24.015 71 87 ILE N 1085.300 44.524 72 88 GLU N 1052.850 17.958 73 89 LYS N 1048.770 15.949 74 90 GLN N 1063.490 17.983 75 91 VAL N 1029.340 12.608 76 92 GLY N 934.492 23.491 77 93 GLN N 1049.870 12.786 78 94 ALA N 1109.140 16.731 79 95 ILE N 1012.970 21.343 80 96 THR N 983.381 18.470 81 97 LEU N 1013.680 33.498 82 98 ASP N 1063.040 20.002 83 99 ASP N 1078.630 21.407 84 100 ALA N 1000.100 16.403 85 101 CYS N 1026.690 20.766 86 102 PHE N 1169.040 78.993 87 104 THR N 982.608 19.407 88 105 MET N 974.089 29.414 89 106 THR N 1078.520 27.451 90 107 THR N 993.345 33.450 91 108 SER N 934.317 30.728 92 109 ASP N 964.506 30.141 93 110 ASN N 902.364 26.138 94 111 THR N 928.678 23.372 95 112 ALA N 968.711 17.079 96 113 ALA N 971.251 14.905 97 114 ASN N 965.810 17.070 98 115 ILE N 958.681 23.436 99 116 ILE N 998.203 26.305 100 117 LEU N 957.946 20.372 101 118 SER N 976.658 11.446 102 119 ALA N 990.786 11.878 103 120 VAL N 1032.840 18.882 104 121 GLY N 976.753 22.802 105 122 GLY N 931.793 15.802 106 125 GLY N 1010.820 17.983 107 126 VAL N 1069.290 33.730 108 127 THR N 1023.230 22.301 109 128 ASP N 1045.590 15.743 110 129 PHE N 988.533 18.078 111 130 LEU N 1014.710 26.874 112 131 ARG N 1048.660 22.324 113 132 GLN N 979.912 37.257 114 133 ILE N 992.851 15.378 115 134 GLY N 1056.970 20.668 116 135 ASP N 1086.720 18.305 117 136 LYS N 1117.820 29.614 118 137 GLU N 891.663 71.874 119 138 THR N 1076.660 23.879 120 139 ARG N 984.252 22.669 121 140 LEU N 993.542 27.442 122 141 ASP N 1057.640 56.154 123 142 ARG N 1226.990 48.929 124 143 ILE N 1107.540 34.592 125 144 GLU N 990.001 34.892 126 147 LEU N 942.329 21.400 127 149 GLU N 1039.930 20.980 128 150 GLY N 1033.160 36.399 129 153 GLY N 928.591 55.186 130 154 ASP N 995.619 13.778 131 155 LEU N 960.799 25.109 132 156 ARG N 975.419 18.173 133 157 ASP N 1031.460 28.300 134 158 THR N 1001.000 21.844 135 159 THR N 980.296 24.697 136 160 THR N 1024.910 17.962 137 164 ILE N 897.989 41.287 138 165 ALA N 951.565 13.673 139 166 SER N 1045.370 18.031 140 168 LEU N 968.617 18.952 141 169 ASN N 1070.090 54.278 142 170 LYS N 869.414 59.639 143 171 PHE N 1017.810 14.814 144 172 LEU N 1005.030 20.000 145 173 PHE N 998.004 21.713 146 174 GLY N 1092.180 18.609 147 175 SER N 1099.020 55.440 148 176 ALA N 989.707 21.745 149 177 LEU N 1079.450 14.216 150 178 SER N 1169.320 25.842 151 179 GLU N 925.840 26.144 152 180 MET N 958.773 10.479 153 181 ASN N 947.777 18.684 154 183 LYS N 986.582 17.034 155 184 LYS N 995.322 17.436 156 185 LEU N 949.397 18.568 157 186 GLU N 916.758 15.212 158 187 SER N 962.279 12.408 159 188 TRP N 952.472 13.608 160 189 MET N 1002.510 25.427 161 190 VAL N 954.745 26.799 162 191 ASN N 936.680 45.886 163 192 ASN N 1078.520 17.448 164 193 GLN N 1009.080 30.446 165 194 VAL N 961.076 19.674 166 195 THR N 949.307 14.149 167 196 GLY N 1075.730 94.543 168 197 ASN N 1018.640 36.213 169 198 LEU N 1066.330 21.263 170 199 LEU N 1099.750 65.431 171 200 ARG N 1053.960 38.990 172 201 SER N 977.995 15.782 173 202 VAL N 1015.430 20.725 174 203 LEU N 1129.050 17.464 175 205 ALA N 1104.360 11.464 176 206 GLY N 1091.940 42.447 177 207 TRP N 936.944 28.443 178 208 ASN N 1098.780 28.855 179 209 ILE N 1027.750 15.633 180 210 ALA N 1116.940 36.803 181 211 ASP N 1050.640 21.525 182 212 ARG N 1219.510 95.181 183 213 SER N 958.589 80.954 184 214 GLY N 1131.480 43.400 185 216 GLY N 1128.410 20.628 186 217 GLY N 1003.210 24.758 187 218 PHE N 979.240 24.932 188 219 GLY N 1045.150 30.149 189 220 ALA N 1031.250 15.101 190 221 ARG N 1021.140 27.945 191 223 ILE N 1012.560 23.479 192 224 THR N 1039.720 36.971 193 225 ALA N 1087.070 22.216 194 226 VAL N 1075.620 23.255 195 227 VAL N 963.577 23.212 196 229 SER N 963.391 16.892 197 230 GLU N 955.657 29.408 198 231 HIS N 1043.510 39.964 199 232 GLN N 1155.400 13.617 200 233 ALA N 1075.270 17.574 201 235 ILE N 968.992 26.009 202 236 ILE N 1045.920 23.082 203 237 VAL N 1061.010 24.879 204 238 SER N 1095.410 20.279 205 239 ILE N 1092.780 23.525 206 240 TYR N 1073.650 26.167 207 241 LEU N 1150.750 31.781 208 242 ALA N 1149.560 19.426 209 243 GLN N 1073.880 27.331 210 244 THR N 1099.020 17.876 211 245 GLN N 1067.460 34.070 212 247 SER N 1076.080 26.633 213 248 MET N 1041.230 101.478 214 249 GLU N 997.307 13.825 215 250 GLU N 1042.210 24.439 216 251 ARG N 1083.780 34.062 217 252 ASN N 1013.580 17.054 218 254 ALA N 1023.020 13.187 219 255 ILE N 1049.210 21.136 220 256 VAL N 993.246 17.363 221 257 LYS N 991.473 17.891 222 259 GLY N 983.961 22.752 223 260 HIS N 978.569 16.279 224 261 SER N 1027.330 12.559 225 262 ILE N 1116.940 69.240 226 264 ASP N 944.912 15.000 227 265 VAL N 1057.750 17.901 228 266 TYR N 1038.310 24.473 229 267 THR N 978.857 12.648 230 268 SER N 787.402 15.004 231 269 GLN N 701.951 23.454 232 270 SER N 736.648 30.443 233 271 ARG N 983.478 12.187 stop_ save_ save_heteronuclear_T1_list_3 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_4 $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 800 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 LYS N 967.118 89.042 2 5 PHE N 1274.210 51.144 3 6 GLN N 1463.060 29.753 4 7 GLN N 1312.510 65.634 5 8 VAL N 1434.100 28.587 6 9 GLU N 1504.890 30.347 7 10 GLN N 1491.420 24.913 8 11 ASP N 1534.210 100.743 9 12 VAL N 1517.680 50.904 10 13 LYS N 1520.450 30.053 11 14 ALA N 1464.990 22.320 12 15 ILE N 1495.440 31.532 13 17 VAL N 1578.280 57.791 14 18 SER N 1450.750 22.309 15 20 SER N 1593.120 49.238 16 21 ALA N 1729.800 52.962 17 22 ARG N 1612.120 34.826 18 23 ILE N 1506.930 38.831 19 24 GLY N 1500.830 109.696 20 25 VAL N 1477.540 42.571 21 26 SER N 1456.240 40.080 22 27 VAL N 1496.560 44.794 23 28 LEU N 1525.550 53.063 24 29 ASP N 1427.960 57.502 25 30 THR N 1245.800 29.178 26 31 GLN N 1213.150 26.050 27 32 ASN N 1309.590 26.926 28 33 GLY N 1337.970 23.272 29 34 GLU N 1351.530 20.458 30 35 TYR N 1405.680 27.268 31 36 TRP N 1605.650 83.015 32 37 ASP N 1692.050 42.945 33 38 TYR N 1684.640 50.800 34 39 ASN N 1472.100 71.081 35 40 GLY N 1640.690 72.949 36 41 ASN N 1550.150 148.262 37 42 GLN N 1511.940 41.376 38 43 ARG N 1589.070 72.219 39 44 PHE N 1445.920 51.013 40 46 LEU N 1372.310 75.329 41 47 THR N 1366.490 72.451 42 49 THR N 1219.810 33.479 43 51 LYS N 1424.910 60.708 44 52 THR N 1556.180 75.072 45 53 ILE N 1453.910 83.709 46 54 ALA N 1462.630 37.438 47 55 CYS N 1566.910 34.373 48 56 ALA N 1444.250 22.736 49 57 LYS N 1418.640 27.773 50 59 LEU N 1504.660 47.318 51 60 TYR N 1427.350 37.894 52 61 ASP N 1421.870 43.871 53 62 ALA N 1469.080 52.228 54 63 GLU N 1529.050 27.822 55 64 GLN N 1555.940 30.262 56 65 GLY N 1552.310 31.326 57 66 LYS N 1587.050 39.796 58 67 VAL N 1620.750 23.904 59 70 ASN N 1435.750 22.881 60 71 SER N 1533.270 25.155 61 72 THR N 1624.170 46.427 62 73 VAL N 1494.990 40.230 63 74 GLU N 1469.080 30.215 64 75 ILE N 1529.520 38.367 65 76 LYS N 1516.530 40.478 66 78 ALA N 1536.570 119.469 67 79 ASP N 1457.510 24.430 68 80 LEU N 1611.080 29.330 69 81 VAL N 1513.320 55.192 70 83 TYR N 1352.080 41.681 71 84 SER N 1505.120 77.929 72 86 VAL N 1420.450 48.425 73 87 ILE N 1422.270 154.951 74 88 GLU N 1612.640 35.889 75 89 LYS N 1506.700 28.831 76 90 GLN N 1614.210 31.529 77 91 VAL N 1494.990 24.585 78 92 GLY N 1405.090 43.039 79 93 GLN N 1559.090 69.277 80 94 ALA N 1563.720 51.350 81 95 ILE N 1504.660 36.677 82 96 THR N 1466.920 70.796 83 97 LEU N 1548.230 51.775 84 98 ASP N 1543.450 37.401 85 99 ASP N 1639.080 38.418 86 100 ALA N 1518.370 96.599 87 101 CYS N 1467.570 31.229 88 102 PHE N 1497.450 32.290 89 104 THR N 1446.550 40.385 90 105 MET N 1438.230 63.089 91 106 THR N 1508.070 53.673 92 107 THR N 1630.260 177.537 93 108 SER N 1309.240 62.565 94 109 ASP N 1403.510 54.367 95 110 ASN N 1202.070 54.620 96 111 THR N 1403.710 120.588 97 112 ALA N 1378.550 30.596 98 113 ALA N 1451.590 45.935 99 114 ASN N 1387.540 47.169 100 115 ILE N 1424.910 41.825 101 116 ILE N 1434.510 41.980 102 117 LEU N 1382.740 39.960 103 118 SER N 1515.380 61.084 104 119 ALA N 1408.050 18.835 105 120 VAL N 1626.810 61.399 106 121 GLY N 1435.750 115.643 107 122 GLY N 1391.210 44.903 108 125 GLY N 1505.800 40.587 109 126 VAL N 1494.320 33.048 110 127 THR N 1597.950 57.964 111 128 ASP N 1410.440 29.442 112 129 PHE N 1490.980 41.348 113 130 LEU N 1653.440 104.433 114 131 ARG N 1589.070 62.623 115 132 GLN N 1528.120 25.920 116 133 ILE N 1529.520 34.858 117 134 GLY N 1586.550 54.370 118 135 ASP N 1601.280 31.026 119 136 LYS N 1746.420 143.349 120 137 GLU N 1898.610 183.481 121 138 THR N 1512.630 43.244 122 139 ARG N 1409.440 61.781 123 140 LEU N 1447.390 86.311 124 141 ASP N 1576.290 107.090 125 142 ARG N 1612.120 67.832 126 143 ILE N 1610.310 51.602 127 144 GLU N 1446.760 71.166 128 147 LEU N 1421.260 45.450 129 149 GLU N 1505.120 46.440 130 150 GLY N 1518.370 64.322 131 153 GLY N 1505.800 136.726 132 154 ASP N 1399.380 26.241 133 155 LEU N 1448.230 94.171 134 156 ARG N 1359.060 33.432 135 157 ASP N 1548.470 90.155 136 158 THR N 1422.880 56.891 137 159 THR N 1482.360 45.047 138 160 THR N 1606.430 84.902 139 164 ILE N 1449.910 35.107 140 165 ALA N 1385.040 24.363 141 166 SER N 1408.650 23.613 142 168 LEU N 1460.490 37.541 143 169 ASN N 1398.600 29.341 144 170 LYS N 1604.880 113.843 145 171 PHE N 1525.550 41.193 146 172 LEU N 1425.720 32.929 147 173 PHE N 1512.860 38.451 148 174 GLY N 1514.230 28.432 149 175 SER N 1433.080 104.123 150 176 ALA N 1382.550 73.017 151 177 LEU N 1568.140 24.590 152 178 SER N 1721.470 56.898 153 179 GLU N 1387.350 70.060 154 180 MET N 1408.850 51.606 155 181 ASN N 1355.200 32.140 156 183 LYS N 1451.380 29.912 157 184 LYS N 1462.420 56.461 158 185 LEU N 1423.280 91.969 159 186 GLU N 1599.230 66.496 160 187 SER N 1441.960 40.753 161 188 TRP N 1368.930 50.035 162 189 MET N 1494.100 46.209 163 190 VAL N 1417.230 117.500 164 191 ASN N 1614.470 40.922 165 192 ASN N 1503.080 34.115 166 193 GLN N 1537.280 61.208 167 194 VAL N 1387.350 45.039 168 195 THR N 1338.690 106.450 169 196 GLY N 1399.380 242.826 170 197 ASN N 1469.290 170.978 171 198 LEU N 1525.090 40.005 172 199 LEU N 1586.800 143.522 173 200 ARG N 1527.180 88.394 174 201 SER N 1406.070 43.890 175 202 VAL N 1480.820 35.962 176 203 LEU N 1735.810 47.003 177 205 ALA N 1653.710 71.377 178 206 GLY N 1629.460 181.081 179 207 TRP N 1442.590 34.337 180 208 ASN N 1492.540 46.558 181 209 ILE N 1543.450 52.647 182 210 ALA N 1529.520 68.545 183 211 ASP N 1598.980 72.100 184 212 ARG N 1475.580 56.828 185 213 SER N 1209.040 128.345 186 214 GLY N 1531.390 79.970 187 216 GLY N 1701.840 54.450 188 217 GLY N 1433.900 54.074 189 218 PHE N 1448.230 101.093 190 219 GLY N 1481.260 59.900 191 220 ALA N 1415.630 27.655 192 221 ARG N 1490.090 61.282 193 222 SER N 1626.550 109.001 194 223 ILE N 1493.880 48.204 195 224 THR N 1570.350 68.555 196 225 ALA N 1565.680 90.210 197 226 VAL N 1690.330 49.144 198 227 VAL N 1397.230 44.512 199 229 SER N 1434.100 42.161 200 230 GLU N 1377.790 139.905 201 231 HIS N 1487.870 63.978 202 232 GLN N 1628.400 51.443 203 233 ALA N 1677.290 148.261 204 235 ILE N 1462.840 49.004 205 236 ILE N 1554.970 41.346 206 237 VAL N 1606.680 86.478 207 238 SER N 1635.590 39.860 208 239 ILE N 1600.770 45.612 209 240 TYR N 1664.450 70.645 210 241 LEU N 1525.550 53.295 211 242 ALA N 1621.270 75.964 212 243 GLN N 1676.450 59.863 213 244 THR N 1624.700 49.889 214 245 GLN N 1606.430 235.093 215 247 SER N 1686.630 72.824 216 248 MET N 1532.570 217.026 217 249 GLU N 1392.180 30.041 218 250 GLU N 1562.010 41.966 219 251 ARG N 1386.580 33.453 220 252 ASN N 1489.650 34.395 221 254 ALA N 1556.180 51.582 222 255 ILE N 1603.330 38.817 223 256 VAL N 1461.770 44.873 224 257 LYS N 1528.350 35.505 225 258 ILE N 1734.610 167.292 226 259 GLY N 1508.300 41.404 227 260 HIS N 1431.840 35.878 228 261 SER N 1548.230 33.079 229 262 ILE N 1485.440 35.525 230 263 PHE N 1462.420 32.935 231 264 ASP N 1479.950 55.413 232 265 VAL N 1524.620 34.402 233 266 TYR N 1572.570 39.073 234 267 THR N 1413.430 46.948 235 268 SER N 972.290 64.567 236 269 GLN N 809.454 30.140 237 270 SER N 768.344 25.916 238 271 ARG N 1021.970 15.562 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Experiment_label $15N-T2_9 stop_ loop_ _Sample_label $sample_4 $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 500 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 LYS N 75.738 3.447 . . 2 5 PHE N 79.177 1.856 . . 3 6 GLN N 65.013 1.144 . . 4 7 GLN N 68.977 1.653 . . 5 8 VAL N 67.671 1.587 . . 6 9 GLU N 63.609 1.410 . . 7 10 GLN N 66.290 1.636 . . 8 11 ASP N 65.183 2.273 . . 9 12 VAL N 63.346 0.917 . . 10 13 LYS N 61.608 1.399 . . 11 14 ALA N 63.780 1.482 . . 12 15 ILE N 66.278 1.761 . . 13 17 VAL N 68.491 0.734 . . 14 18 SER N 67.122 1.834 . . 15 20 SER N 62.359 0.807 . . 16 22 ARG N 59.691 1.262 . . 17 23 ILE N 68.019 1.009 . . 18 24 GLY N 65.380 1.137 . . 19 25 VAL N 64.691 0.912 . . 20 26 SER N 63.295 0.955 . . 21 27 VAL N 66.071 1.055 . . 22 28 LEU N 64.805 1.478 . . 23 29 ASP N 66.805 1.207 . . 24 30 THR N 72.922 2.254 . . 25 31 GLN N 72.803 0.702 . . 26 32 ASN N 88.346 1.511 . . 27 33 GLY N 75.716 2.470 . . 28 34 GLU N 75.543 1.334 . . 29 35 TYR N 68.992 0.803 . . 30 36 TRP N 55.061 1.554 . . 31 37 ASP N 63.400 0.663 . . 32 38 TYR N 56.022 2.781 . . 33 39 ASN N 62.071 1.249 . . 34 40 GLY N 59.233 1.985 . . 35 41 ASN N 62.050 0.705 . . 36 42 GLN N 63.263 1.525 . . 37 43 ARG N 70.197 1.169 . . 38 44 PHE N 64.132 1.930 . . 39 46 LEU N 58.338 3.430 . . 40 47 THR N 60.892 1.761 . . 41 49 THR N 61.728 1.507 . . 42 51 LYS N 61.826 0.892 . . 43 52 THR N 62.376 3.233 . . 44 53 ILE N 63.256 1.892 . . 45 54 ALA N 64.962 1.075 . . 46 55 CYS N 66.084 1.176 . . 47 56 ALA N 60.923 1.065 . . 48 57 LYS N 60.325 2.402 . . 49 59 LEU N 64.172 1.219 . . 50 60 TYR N 62.507 1.089 . . 51 61 ASP N 60.234 2.490 . . 52 62 ALA N 63.113 2.194 . . 53 63 GLU N 64.322 1.064 . . 54 64 GLN N 74.595 0.924 . . 55 65 GLY N 66.673 0.941 . . 56 66 LYS N 60.762 1.149 . . 57 67 VAL N 70.696 1.225 . . 58 70 ASN N 72.669 1.332 . . 59 71 SER N 63.731 2.104 . . 60 72 THR N 67.794 1.692 . . 61 73 VAL N 64.936 1.445 . . 62 74 GLU N 74.903 0.770 . . 63 75 ILE N 76.931 1.209 . . 64 76 LYS N 68.703 0.846 . . 65 78 ALA N 61.104 0.532 . . 66 79 ASP N 71.990 1.104 . . 67 80 LEU N 62.398 1.700 . . 68 83 TYR N 71.731 2.122 . . 69 84 SER N 75.260 2.340 . . 70 86 VAL N 63.982 2.916 . . 71 87 ILE N 62.026 1.719 . . 72 88 GLU N 55.455 0.800 . . 73 89 LYS N 65.336 0.665 . . 74 90 GLN N 67.453 2.447 . . 75 91 VAL N 72.896 0.726 . . 76 92 GLY N 65.842 1.323 . . 77 93 GLN N 65.359 1.396 . . 78 94 ALA N 78.497 1.080 . . 79 95 ILE N 72.351 1.007 . . 80 96 THR N 68.584 1.303 . . 81 97 LEU N 62.284 1.462 . . 82 98 ASP N 62.404 1.015 . . 83 99 ASP N 58.142 1.633 . . 84 100 ALA N 62.973 1.611 . . 85 101 CYS N 59.348 2.326 . . 86 102 PHE N 62.422 2.227 . . 87 104 THR N 59.602 1.252 . . 88 105 MET N 54.797 1.053 . . 89 106 THR N 48.844 1.662 . . 90 107 THR N 58.929 2.526 . . 91 108 SER N 63.883 4.159 . . 92 109 ASP N 64.458 1.546 . . 93 110 ASN N 63.063 1.368 . . 94 111 THR N 59.430 0.988 . . 95 112 ALA N 65.614 0.972 . . 96 113 ALA N 66.414 0.888 . . 97 114 ASN N 63.344 1.154 . . 98 115 ILE N 62.686 2.907 . . 99 116 ILE N 60.751 0.954 . . 100 117 LEU N 65.857 2.032 . . 101 118 SER N 70.545 0.967 . . 102 119 ALA N 69.389 1.122 . . 103 120 VAL N 73.637 1.239 . . 104 121 GLY N 64.396 0.835 . . 105 122 GLY N 68.357 1.185 . . 106 125 GLY N 64.322 0.817 . . 107 126 VAL N 63.352 1.677 . . 108 127 THR N 58.677 1.120 . . 109 128 ASP N 59.874 0.986 . . 110 129 PHE N 61.686 1.400 . . 111 130 LEU N 56.904 1.013 . . 112 131 ARG N 55.246 2.486 . . 113 132 GLN N 61.973 0.972 . . 114 133 ILE N 90.699 5.396 . . 115 134 GLY N 63.638 1.662 . . 116 135 ASP N 57.205 2.428 . . 117 136 LYS N 63.241 1.020 . . 118 138 THR N 68.272 1.038 . . 119 139 ARG N 60.509 1.162 . . 120 140 LEU N 61.000 2.461 . . 121 141 ASP N 66.409 2.572 . . 122 142 ARG N 65.948 1.938 . . 123 143 ILE N 72.521 1.373 . . 124 144 GLU N 62.890 1.580 . . 125 147 LEU N 63.577 1.150 . . 126 149 GLU N 59.877 0.888 . . 127 150 GLY N 66.047 1.662 . . 128 153 GLY N 58.405 5.407 . . 129 154 ASP N 65.560 1.342 . . 130 155 LEU N 67.555 3.161 . . 131 156 ARG N 59.068 2.119 . . 132 157 ASP N 63.141 2.415 . . 133 158 THR N 70.822 2.066 . . 134 159 THR N 65.254 1.208 . . 135 160 THR N 67.194 1.381 . . 136 164 ILE N 69.479 2.747 . . 137 165 ALA N 61.260 1.019 . . 138 168 LEU N 58.888 1.420 . . 139 169 ASN N 65.809 2.465 . . 140 170 LYS N 63.786 2.177 . . 141 171 PHE N 67.662 2.312 . . 142 172 LEU N 66.950 0.999 . . 143 173 PHE N 69.002 1.586 . . 144 174 GLY N 83.538 3.399 . . 145 175 SER N 70.430 4.777 . . 146 176 ALA N 68.954 1.092 . . 147 177 LEU N 68.158 1.288 . . 148 178 SER N 63.965 0.808 . . 149 179 GLU N 71.444 0.638 . . 150 180 MET N 69.092 1.290 . . 151 181 ASN N 68.340 1.118 . . 152 183 LYS N 68.664 0.834 . . 153 184 LYS N 66.557 0.676 . . 154 185 LEU N 64.596 1.884 . . 155 186 GLU N 55.773 2.903 . . 156 187 SER N 67.942 0.999 . . 157 188 TRP N 65.253 1.340 . . 158 189 MET N 75.156 2.290 . . 159 190 VAL N 58.787 1.125 . . 160 191 ASN N 61.511 1.009 . . 161 192 ASN N 67.281 1.634 . . 162 193 GLN N 64.033 2.867 . . 163 194 VAL N 65.050 1.116 . . 164 195 THR N 64.582 0.743 . . 165 196 GLY N 53.101 5.569 . . 166 197 ASN N 59.912 0.760 . . 167 198 LEU N 61.179 0.864 . . 168 199 LEU N 54.950 2.592 . . 169 200 ARG N 56.956 2.904 . . 170 201 SER N 73.328 6.551 . . 171 202 VAL N 64.074 1.742 . . 172 203 LEU N 67.719 0.715 . . 173 205 ALA N 68.725 0.482 . . 174 206 GLY N 73.391 4.002 . . 175 207 TRP N 69.111 1.246 . . 176 208 ASN N 66.345 2.099 . . 177 209 ILE N 69.046 1.310 . . 178 210 ALA N 63.780 4.038 . . 179 211 ASP N 61.411 1.478 . . 180 212 ARG N 62.699 2.164 . . 181 213 SER N 45.656 3.293 . . 182 214 GLY N 52.585 1.231 . . 183 216 GLY N 61.539 1.929 . . 184 217 GLY N 62.076 1.637 . . 185 218 PHE N 63.990 1.784 . . 186 219 GLY N 58.972 1.350 . . 187 220 ALA N 57.723 1.289 . . 188 221 ARG N 55.574 2.778 . . 189 223 ILE N 58.036 2.733 . . 190 224 THR N 58.943 2.154 . . 191 225 ALA N 65.077 1.690 . . 192 226 VAL N 65.790 0.950 . . 193 227 VAL N 64.129 1.448 . . 194 229 SER N 69.225 1.169 . . 195 230 GLU N 69.511 1.936 . . 196 231 HIS N 82.166 2.942 . . 197 232 GLN N 77.868 0.822 . . 198 233 ALA N 63.364 1.663 . . 199 235 ILE N 67.754 1.380 . . 200 236 ILE N 63.876 2.307 . . 201 237 VAL N 66.446 1.001 . . 202 238 SER N 62.524 1.290 . . 203 239 ILE N 59.105 2.507 . . 204 240 TYR N 59.495 3.340 . . 205 241 LEU N 59.585 1.489 . . 206 242 ALA N 60.764 1.297 . . 207 243 GLN N 64.432 2.260 . . 208 244 THR N 63.970 1.107 . . 209 245 GLN N 62.841 1.482 . . 210 247 SER N 62.532 1.030 . . 211 248 MET N 72.325 9.092 . . 212 249 GLU N 66.052 0.938 . . 213 250 GLU N 63.071 1.079 . . 214 251 ARG N 63.719 3.942 . . 215 252 ASN N 61.405 1.465 . . 216 254 ALA N 61.559 0.548 . . 217 255 ILE N 66.224 1.036 . . 218 256 VAL N 64.655 1.216 . . 219 257 LYS N 58.408 2.696 . . 220 259 GLY N 64.246 1.076 . . 221 260 HIS N 64.328 0.730 . . 222 261 SER N 65.051 0.599 . . 223 262 ILE N 62.803 1.521 . . 224 264 ASP N 60.831 0.485 . . 225 265 VAL N 61.488 0.719 . . 226 266 TYR N 65.991 1.685 . . 227 267 THR N 80.246 1.633 . . 228 268 SER N 99.584 1.893 . . 229 269 GLN N 158.758 5.469 . . 230 270 SER N 264.845 16.505 . . 231 271 ARG N 566.958 30.408 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Experiment_label $15N-T2_9 stop_ loop_ _Sample_label $sample_4 $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 LYS N 76.763 8.913 . . 2 5 PHE N 72.636 0.952 . . 3 6 GLN N 60.567 0.858 . . 4 7 GLN N 64.845 1.264 . . 5 8 VAL N 63.752 1.015 . . 6 9 GLU N 58.370 1.082 . . 7 10 GLN N 60.684 0.820 . . 8 11 ASP N 69.318 1.655 . . 9 12 VAL N 58.326 1.120 . . 10 13 LYS N 57.678 0.876 . . 11 14 ALA N 59.023 0.869 . . 12 15 ILE N 64.251 1.249 . . 13 17 VAL N 64.046 0.925 . . 14 18 SER N 62.108 1.070 . . 15 20 SER N 59.900 1.023 . . 16 22 ARG N 57.757 1.282 . . 17 23 ILE N 63.306 1.537 . . 18 24 GLY N 61.608 1.679 . . 19 25 VAL N 61.573 1.577 . . 20 26 SER N 58.752 1.245 . . 21 27 VAL N 61.143 1.531 . . 22 28 LEU N 60.580 1.862 . . 23 29 ASP N 65.339 1.855 . . 24 30 THR N 65.745 1.524 . . 25 31 GLN N 66.034 0.875 . . 26 32 ASN N 86.579 2.774 . . 27 33 GLY N 68.950 1.010 . . 28 34 GLU N 69.812 1.065 . . 29 35 TYR N 64.516 2.006 . . 30 36 TRP N 52.730 1.896 . . 31 37 ASP N 60.454 0.698 . . 32 38 TYR N 62.056 1.531 . . 33 39 ASN N 61.862 1.510 . . 34 40 GLY N 55.945 1.385 . . 35 41 ASN N 59.228 1.129 . . 36 42 GLN N 59.493 1.223 . . 37 43 ARG N 70.134 1.773 . . 38 44 PHE N 61.487 1.938 . . 39 46 LEU N 59.902 3.323 . . 40 47 THR N 58.843 3.080 . . 41 49 THR N 55.944 1.565 . . 42 51 LYS N 56.370 1.520 . . 43 52 THR N 66.240 8.860 . . 44 53 ILE N 60.838 1.918 . . 45 54 ALA N 57.232 1.333 . . 46 55 CYS N 59.485 2.813 . . 47 56 ALA N 56.755 2.013 . . 48 57 LYS N 63.364 1.000 . . 49 59 LEU N 58.992 1.511 . . 50 60 TYR N 59.442 1.434 . . 51 61 ASP N 60.037 1.318 . . 52 62 ALA N 61.180 0.906 . . 53 63 GLU N 59.212 1.172 . . 54 64 GLN N 68.671 2.643 . . 55 65 GLY N 61.554 1.452 . . 56 66 LYS N 57.767 0.919 . . 57 67 VAL N 67.660 0.671 . . 58 70 ASN N 68.443 0.888 . . 59 71 SER N 59.616 0.819 . . 60 72 THR N 58.185 0.793 . . 61 73 VAL N 62.808 1.347 . . 62 74 GLU N 68.951 0.902 . . 63 75 ILE N 70.012 1.406 . . 64 76 LYS N 61.573 1.211 . . 65 78 ALA N 55.008 0.733 . . 66 79 ASP N 66.781 0.883 . . 67 80 LEU N 58.645 0.818 . . 68 83 TYR N 70.239 1.822 . . 69 84 SER N 68.191 1.362 . . 70 86 VAL N 61.541 1.584 . . 71 87 ILE N 57.997 2.656 . . 72 88 GLU N 48.956 0.894 . . 73 89 LYS N 60.156 0.907 . . 74 90 GLN N 64.109 0.943 . . 75 91 VAL N 66.716 0.788 . . 76 92 GLY N 62.661 1.604 . . 77 93 GLN N 57.058 0.822 . . 78 94 ALA N 71.994 0.907 . . 79 95 ILE N 65.314 1.373 . . 80 96 THR N 64.404 1.352 . . 81 97 LEU N 56.911 2.092 . . 82 98 ASP N 52.516 1.333 . . 83 99 ASP N 54.823 1.605 . . 84 100 ALA N 59.746 0.968 . . 85 101 CYS N 54.697 1.318 . . 86 102 PHE N 55.008 1.174 . . 87 104 THR N 57.651 1.241 . . 88 105 MET N 50.274 1.805 . . 89 106 THR N 41.410 1.797 . . 90 107 THR N 56.111 2.474 . . 91 108 SER N 50.702 3.441 . . 92 109 ASP N 57.028 2.114 . . 93 110 ASN N 57.476 2.133 . . 94 111 THR N 59.060 1.825 . . 95 112 ALA N 62.701 1.243 . . 96 113 ALA N 61.861 1.016 . . 97 114 ASN N 60.523 1.180 . . 98 115 ILE N 63.468 1.593 . . 99 116 ILE N 57.578 1.523 . . 100 117 LEU N 60.590 1.309 . . 101 118 SER N 65.344 0.938 . . 102 119 ALA N 65.070 0.777 . . 103 120 VAL N 67.210 1.220 . . 104 121 GLY N 59.462 1.124 . . 105 122 GLY N 61.642 1.115 . . 106 125 GLY N 57.755 1.074 . . 107 126 VAL N 46.395 2.732 . . 108 127 THR N 56.590 1.359 . . 109 128 ASP N 54.499 0.991 . . 110 129 PHE N 58.742 1.208 . . 111 130 LEU N 57.825 2.411 . . 112 131 ARG N 51.297 1.344 . . 113 132 GLN N 61.822 1.104 . . 114 133 ILE N 90.499 9.250 . . 115 134 GLY N 56.016 1.245 . . 116 135 ASP N 56.892 1.152 . . 117 136 LYS N 60.535 1.779 . . 118 137 GLU N 66.810 1.293 . . 119 138 THR N 65.955 1.695 . . 120 139 ARG N 56.756 1.822 . . 121 140 LEU N 60.332 1.951 . . 122 141 ASP N 63.261 3.773 . . 123 142 ARG N 59.678 2.341 . . 124 143 ILE N 61.142 3.890 . . 125 144 GLU N 57.676 2.260 . . 126 147 LEU N 56.016 4.497 . . 127 149 GLU N 55.931 1.632 . . 128 150 GLY N 59.092 2.743 . . 129 153 GLY N 62.840 5.771 . . 130 154 ASP N 63.431 1.235 . . 131 155 LEU N 72.425 2.590 . . 132 156 ARG N 57.016 1.468 . . 133 157 ASP N 62.305 2.351 . . 134 158 THR N 64.156 1.889 . . 135 159 THR N 63.152 1.954 . . 136 160 THR N 63.737 1.322 . . 137 164 ILE N 61.961 1.468 . . 138 165 ALA N 57.881 0.949 . . 139 166 SER N 65.363 10.399 . . 140 168 LEU N 57.465 1.392 . . 141 169 ASN N 53.727 2.719 . . 142 170 LYS N 63.497 1.112 . . 143 171 PHE N 63.597 0.957 . . 144 172 LEU N 60.255 1.294 . . 145 173 PHE N 64.401 3.199 . . 146 174 GLY N 72.067 1.197 . . 147 175 SER N 71.110 5.607 . . 148 176 ALA N 64.894 0.908 . . 149 177 LEU N 63.612 0.854 . . 150 178 SER N 60.432 1.358 . . 151 179 GLU N 66.740 1.027 . . 152 180 MET N 66.188 0.685 . . 153 181 ASN N 62.513 1.148 . . 154 183 LYS N 64.642 1.035 . . 155 184 LYS N 63.788 1.303 . . 156 185 LEU N 59.163 1.212 . . 157 186 GLU N 61.042 1.020 . . 158 187 SER N 63.585 0.795 . . 159 188 TRP N 63.210 0.868 . . 160 190 VAL N 57.539 1.751 . . 161 191 ASN N 61.399 1.117 . . 162 192 ASN N 62.737 1.371 . . 163 193 GLN N 60.904 3.709 . . 164 194 VAL N 59.490 1.348 . . 165 195 THR N 58.717 1.024 . . 166 196 GLY N 51.015 7.478 . . 167 197 ASN N 58.127 1.329 . . 168 198 LEU N 56.936 1.648 . . 169 199 LEU N 50.240 3.705 . . 170 200 ARG N 57.469 3.134 . . 171 201 SER N 64.191 4.743 . . 172 202 VAL N 60.903 1.511 . . 173 203 LEU N 63.819 1.098 . . 174 205 ALA N 64.796 0.719 . . 175 206 GLY N 70.750 1.895 . . 176 207 TRP N 69.817 1.249 . . 177 208 ASN N 60.044 1.595 . . 178 209 ILE N 64.067 1.022 . . 179 210 ALA N 58.397 2.544 . . 180 211 ASP N 59.120 1.537 . . 181 212 ARG N 46.279 3.203 . . 182 213 SER N 47.657 7.347 . . 183 214 GLY N 52.929 3.181 . . 184 216 GLY N 59.191 1.466 . . 185 217 GLY N 58.156 1.891 . . 186 218 PHE N 58.837 1.913 . . 187 219 GLY N 52.345 1.888 . . 188 220 ALA N 54.817 1.136 . . 189 221 ARG N 54.096 2.016 . . 190 223 ILE N 56.831 1.621 . . 191 224 THR N 58.555 2.542 . . 192 225 ALA N 62.507 1.573 . . 193 226 VAL N 64.042 1.714 . . 194 227 VAL N 58.326 1.553 . . 195 229 SER N 65.341 1.260 . . 196 230 GLU N 66.212 1.749 . . 197 231 HIS N 67.816 4.898 . . 198 232 GLN N 74.161 1.124 . . 199 233 ALA N 57.882 1.050 . . 200 235 ILE N 62.406 1.774 . . 201 236 ILE N 64.541 1.849 . . 202 237 VAL N 61.728 1.744 . . 203 238 SER N 56.457 2.011 . . 204 239 ILE N 59.006 1.821 . . 205 240 TYR N 62.970 1.605 . . 206 241 LEU N 56.468 1.950 . . 207 242 ALA N 59.025 1.278 . . 208 243 GLN N 58.409 1.807 . . 209 244 THR N 59.354 1.232 . . 210 245 GLN N 57.848 2.575 . . 211 247 SER N 57.589 1.643 . . 212 248 MET N 54.018 10.894 . . 213 249 GLU N 62.003 1.126 . . 214 250 GLU N 57.589 1.686 . . 215 251 ARG N 55.277 1.362 . . 216 252 ASN N 58.646 1.288 . . 217 254 ALA N 57.898 0.939 . . 218 255 ILE N 61.299 1.364 . . 219 256 VAL N 56.885 1.060 . . 220 257 LYS N 55.650 1.055 . . 221 259 GLY N 58.850 1.516 . . 222 260 HIS N 58.469 1.051 . . 223 261 SER N 59.833 0.781 . . 224 262 ILE N 51.670 1.582 . . 225 264 ASP N 58.968 0.871 . . 226 265 VAL N 57.763 1.083 . . 227 266 TYR N 61.395 1.396 . . 228 267 THR N 76.113 0.953 . . 229 268 SER N 95.275 0.756 . . 230 269 GLN N 161.624 2.448 . . 231 270 SER N 277.778 7.323 . . 232 271 ARG N 555.772 8.958 . . stop_ save_ save_heteronuclear_T2_list_3 _Saveframe_category T2_relaxation _Details . loop_ _Experiment_label $15N-T2_9 stop_ loop_ _Sample_label $sample_4 $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 800 _T2_coherence_type Nx _T2_value_units ms _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 LYS N 66.169 4.598 . . 2 5 PHE N 58.690 2.507 . . 3 6 GLN N 48.591 0.705 . . 4 7 GLN N 50.126 1.883 . . 5 8 VAL N 49.086 1.138 . . 6 9 GLU N 47.498 0.831 . . 7 10 GLN N 52.196 1.324 . . 8 11 ASP N 56.913 1.494 . . 9 12 VAL N 47.520 1.327 . . 10 13 LYS N 46.957 1.028 . . 11 14 ALA N 49.541 0.616 . . 12 15 ILE N 53.380 1.243 . . 13 17 VAL N 54.718 0.744 . . 14 18 SER N 51.716 0.610 . . 15 20 SER N 46.319 1.005 . . 16 21 ALA N 49.758 0.777 . . 17 22 ARG N 47.378 1.824 . . 18 23 ILE N 49.310 4.006 . . 19 24 GLY N 50.556 1.747 . . 20 25 VAL N 53.072 1.738 . . 21 26 SER N 46.410 2.234 . . 22 27 VAL N 53.413 1.283 . . 23 28 LEU N 44.997 2.513 . . 24 29 ASP N 48.118 1.982 . . 25 30 THR N 55.391 2.508 . . 26 31 GLN N 53.702 0.803 . . 27 32 ASN N 60.363 1.706 . . 28 33 GLY N 53.728 1.265 . . 29 34 GLU N 56.654 1.054 . . 30 35 TYR N 49.747 2.232 . . 31 36 TRP N 37.155 2.025 . . 32 37 ASP N 47.036 1.904 . . 33 38 TYR N 45.262 1.316 . . 34 39 ASN N 48.874 1.302 . . 35 40 GLY N 41.367 2.910 . . 36 41 ASN N 44.563 1.471 . . 37 42 GLN N 46.098 1.228 . . 38 43 ARG N 55.155 2.022 . . 39 44 PHE N 48.761 2.338 . . 40 46 LEU N 49.585 2.950 . . 41 47 THR N 45.207 2.247 . . 42 49 THR N 41.564 2.273 . . 43 51 LYS N 41.604 3.617 . . 44 52 THR N 46.714 2.640 . . 45 53 ILE N 48.145 3.494 . . 46 54 ALA N 45.148 1.526 . . 47 55 CYS N 53.296 1.097 . . 48 56 ALA N 50.250 1.092 . . 49 57 LYS N 50.821 1.236 . . 50 59 LEU N 49.679 1.168 . . 51 60 TYR N 48.948 1.122 . . 52 61 ASP N 47.096 1.643 . . 53 62 ALA N 49.919 0.768 . . 54 63 GLU N 49.648 1.479 . . 55 64 GLN N 55.060 2.620 . . 56 65 GLY N 51.859 0.894 . . 57 66 LYS N 48.002 1.248 . . 58 67 VAL N 55.625 0.471 . . 59 70 ASN N 52.830 1.059 . . 60 71 SER N 47.347 1.677 . . 61 72 THR N 47.764 0.806 . . 62 73 VAL N 50.472 1.929 . . 63 74 GLU N 57.851 3.308 . . 64 75 ILE N 55.346 1.022 . . 65 76 LYS N 52.216 1.170 . . 66 78 ALA N 43.226 1.508 . . 67 79 ASP N 55.931 1.300 . . 68 80 LEU N 48.536 1.114 . . 69 81 VAL N 47.822 1.619 . . 70 83 TYR N 56.415 1.315 . . 71 84 SER N 56.399 1.851 . . 72 86 VAL N 48.984 1.301 . . 73 87 ILE N 47.705 2.773 . . 74 88 GLU N 40.563 0.873 . . 75 89 LYS N 48.963 1.881 . . 76 90 GLN N 51.393 1.336 . . 77 91 VAL N 51.288 0.775 . . 78 92 GLY N 52.230 1.264 . . 79 93 GLN N 47.440 0.830 . . 80 94 ALA N 60.399 0.601 . . 81 95 ILE N 51.523 1.423 . . 82 96 THR N 52.936 1.036 . . 83 97 LEU N 42.767 2.103 . . 84 98 ASP N 44.562 1.156 . . 85 99 ASP N 43.042 2.121 . . 86 100 ALA N 50.077 0.962 . . 87 101 CYS N 44.041 1.622 . . 88 102 PHE N 45.377 1.681 . . 89 104 THR N 48.878 0.978 . . 90 105 MET N 38.846 2.887 . . 91 106 THR N 39.454 9.228 . . 92 107 THR N 45.442 1.926 . . 93 108 SER N 45.471 3.780 . . 94 109 ASP N 46.751 1.874 . . 95 110 ASN N 44.766 2.032 . . 96 111 THR N 45.569 1.280 . . 97 112 ALA N 52.240 1.339 . . 98 113 ALA N 51.704 1.263 . . 99 114 ASN N 48.208 0.819 . . 100 115 ILE N 52.401 1.508 . . 101 116 ILE N 47.440 1.180 . . 102 117 LEU N 49.543 1.595 . . 103 118 SER N 55.214 0.645 . . 104 119 ALA N 53.880 1.434 . . 105 120 VAL N 55.124 2.391 . . 106 121 GLY N 48.809 1.063 . . 107 122 GLY N 48.427 0.932 . . 108 125 GLY N 51.698 1.062 . . 109 126 VAL N 39.379 4.858 . . 110 127 THR N 46.048 1.924 . . 111 128 ASP N 44.869 1.247 . . 112 129 PHE N 47.127 2.108 . . 113 130 LEU N 45.909 1.364 . . 114 131 ARG N 41.115 4.221 . . 115 132 GLN N 46.111 0.728 . . 116 133 ILE N 64.762 4.279 . . 117 134 GLY N 44.326 1.137 . . 118 135 ASP N 45.773 1.761 . . 119 136 LYS N 53.380 1.380 . . 120 137 GLU N 51.709 2.012 . . 121 138 THR N 48.846 3.199 . . 122 139 ARG N 43.734 2.461 . . 123 140 LEU N 48.679 2.411 . . 124 141 ASP N 50.952 3.003 . . 125 142 ARG N 46.331 2.649 . . 126 143 ILE N 51.870 5.084 . . 127 144 GLU N 47.266 1.909 . . 128 147 LEU N 41.900 1.957 . . 129 149 GLU N 44.996 1.104 . . 130 150 GLY N 42.062 3.682 . . 131 153 GLY N 46.830 4.563 . . 132 154 ASP N 47.522 1.220 . . 133 155 LEU N 47.594 1.787 . . 134 156 ARG N 44.996 1.204 . . 135 157 ASP N 48.942 3.169 . . 136 158 THR N 43.218 4.748 . . 137 159 THR N 47.869 3.079 . . 138 160 THR N 47.811 1.294 . . 139 164 ILE N 51.520 0.870 . . 140 165 ALA N 45.254 3.219 . . 141 166 SER N 89.991 7.422 . . 142 168 LEU N 46.348 1.005 . . 143 169 ASN N 47.689 2.296 . . 144 170 LYS N 50.605 1.227 . . 145 171 PHE N 49.248 3.062 . . 146 172 LEU N 51.949 1.430 . . 147 173 PHE N 49.634 2.191 . . 148 174 GLY N 57.178 0.872 . . 149 175 SER N 55.440 4.123 . . 150 176 ALA N 51.485 1.846 . . 151 177 LEU N 52.782 1.002 . . 152 178 SER N 48.051 2.058 . . 153 179 GLU N 53.555 1.924 . . 154 180 MET N 54.527 1.576 . . 155 181 ASN N 50.596 0.896 . . 156 183 LYS N 53.627 2.094 . . 157 184 LYS N 52.730 1.096 . . 158 185 LEU N 49.669 1.007 . . 159 186 GLU N 43.756 4.800 . . 160 187 SER N 52.458 1.564 . . 161 188 TRP N 50.997 1.337 . . 162 189 MET N 53.339 2.463 . . 163 190 VAL N 46.605 1.733 . . 164 191 ASN N 48.785 1.743 . . 165 192 ASN N 49.100 0.966 . . 166 193 GLN N 39.170 1.992 . . 167 194 VAL N 42.859 1.182 . . 168 195 THR N 43.603 1.403 . . 169 196 GLY N 44.719 6.736 . . 170 197 ASN N 38.880 1.978 . . 171 198 LEU N 45.011 2.747 . . 172 199 LEU N 35.916 3.602 . . 173 200 ARG N 44.134 2.205 . . 174 201 SER N 48.306 1.638 . . 175 202 VAL N 47.423 1.026 . . 176 203 LEU N 51.413 0.878 . . 177 205 ALA N 52.047 2.891 . . 178 206 GLY N 52.456 2.089 . . 179 207 TRP N 53.383 0.707 . . 180 208 ASN N 50.249 2.847 . . 181 209 ILE N 52.551 0.707 . . 182 210 ALA N 49.058 1.986 . . 183 211 ASP N 47.714 2.314 . . 184 212 ARG N 41.610 2.107 . . 185 213 SER N 36.789 5.663 . . 186 214 GLY N 36.028 6.010 . . 187 216 GLY N 46.522 3.324 . . 188 217 GLY N 45.825 1.770 . . 189 218 PHE N 47.999 1.405 . . 190 219 GLY N 36.402 4.564 . . 191 220 ALA N 42.543 1.507 . . 192 221 ARG N 42.489 1.621 . . 193 222 SER N 39.194 1.840 . . 194 223 ILE N 45.038 1.298 . . 195 224 THR N 46.301 2.732 . . 196 225 ALA N 48.451 1.270 . . 197 226 VAL N 53.698 1.212 . . 198 227 VAL N 50.057 1.310 . . 199 229 SER N 53.401 2.720 . . 200 230 GLU N 53.221 1.238 . . 201 231 HIS N 53.932 2.320 . . 202 232 GLN N 56.930 2.248 . . 203 233 ALA N 47.138 0.991 . . 204 235 ILE N 47.466 1.485 . . 205 236 ILE N 55.654 1.858 . . 206 237 VAL N 46.391 1.231 . . 207 238 SER N 48.938 2.544 . . 208 239 ILE N 50.104 1.162 . . 209 240 TYR N 49.505 1.228 . . 210 241 LEU N 49.035 3.181 . . 211 242 ALA N 48.698 1.074 . . 212 243 GLN N 47.646 1.428 . . 213 244 THR N 43.597 1.961 . . 214 245 GLN N 45.602 1.699 . . 215 247 SER N 42.376 1.683 . . 216 248 MET N 49.317 6.955 . . 217 249 GLU N 49.427 1.436 . . 218 250 GLU N 45.844 1.138 . . 219 251 ARG N 44.506 1.333 . . 220 252 ASN N 46.315 1.339 . . 221 254 ALA N 46.459 1.734 . . 222 255 ILE N 51.846 1.159 . . 223 256 VAL N 44.903 1.403 . . 224 257 LYS N 45.483 1.616 . . 225 258 ILE N 45.252 1.086 . . 226 259 GLY N 45.190 5.110 . . 227 260 HIS N 44.251 2.074 . . 228 261 SER N 50.026 0.854 . . 229 262 ILE N 42.325 3.314 . . 230 263 PHE N 47.341 1.787 . . 231 264 ASP N 46.720 0.739 . . 232 265 VAL N 46.792 0.894 . . 233 266 TYR N 51.188 1.016 . . 234 267 THR N 55.846 1.310 . . 235 268 SER N 75.475 2.575 . . 236 269 GLN N 126.189 7.132 . . 237 270 SER N 224.004 20.824 . . 238 271 ARG N 340.495 10.504 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'PSE-4 mature enzyme' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 LYS 0.517562 0.036758 5 PHE 0.659939 0.015608 6 GLN 0.730469 0.014923 7 GLN 0.714573 0.016392 8 VAL 0.747774 0.018366 9 GLU 0.841254 0.020269 10 GLN 0.789525 0.017709 11 ASP 0.783484 0.015813 12 VAL 0.779678 0.020092 13 LYS 0.809859 0.018486 14 ALA 0.786585 0.014740 15 ILE 0.789366 0.020230 17 VAL 0.809145 0.019884 18 SER 0.785787 0.015920 20 SER 0.804878 0.018942 22 ARG 0.743230 0.019883 23 ILE 0.791541 0.023799 24 GLY 0.830677 0.026790 25 VAL 0.784990 0.024162 26 SER 0.812818 0.022706 27 VAL 0.766064 0.024739 28 LEU 0.796223 0.027459 29 ASP 0.751976 0.026582 30 THR 0.775551 0.018640 31 GLN 0.605788 0.014119 32 ASN 0.544615 0.016210 33 GLY 0.718266 0.018144 34 GLU 0.690983 0.013916 35 TYR 0.692843 0.018865 36 TRP 0.780220 0.028776 37 ASP 0.814516 0.014029 38 TYR 0.799159 0.026167 39 ASN 0.802789 0.024396 40 GLY 0.834711 0.023414 41 ASN 0.789848 0.018798 42 GLN 0.807422 0.020098 43 ARG 0.795613 0.021889 44 PHE 0.767911 0.027519 46 LEU 0.814229 0.041962 47 THR 0.843350 0.036757 49 THR 0.847826 0.027050 51 LYS 0.812562 0.023252 52 THR 0.807692 0.021044 53 ILE 0.832487 0.029379 54 ALA 0.815000 0.023221 55 CYS 0.789527 0.018554 56 ALA 0.840708 0.018126 57 LYS 0.844512 0.018968 59 LEU 0.857426 0.031132 60 TYR 0.794872 0.024369 61 ASP 0.807887 0.021019 62 ALA 0.770916 0.018412 63 GLU 0.808617 0.018943 64 GLN 0.791878 0.018816 65 GLY 0.770069 0.017150 66 LYS 0.758974 0.018928 67 VAL 0.725806 0.013702 70 ASN 0.791667 0.015829 71 SER 0.813265 0.016099 72 THR 0.785930 0.015595 73 VAL 0.759635 0.023065 74 GLU 0.729353 0.013794 75 ILE 0.717369 0.023033 76 LYS 0.709839 0.020574 78 ALA 0.760118 0.016045 79 ASP 0.761468 0.018386 80 LEU 0.761569 0.017565 83 TYR 0.710630 0.021722 84 SER 0.780962 0.022078 86 VAL 0.740816 0.026020 87 ILE 0.784236 0.040141 88 GLU 0.798379 0.021223 89 LYS 0.691000 0.018038 90 GLN 0.733602 0.018134 91 VAL 0.716448 0.014735 92 GLY 0.759468 0.029471 93 GLN 0.758689 0.015519 94 ALA 0.695000 0.013006 95 ILE 0.729541 0.023435 96 THR 0.800409 0.023559 97 LEU 0.791417 0.025633 98 ASP 0.830357 0.023301 99 ASP 0.832661 0.022090 100 ALA 0.808151 0.020181 101 CYS 0.781563 0.019419 102 PHE 0.840637 0.023734 104 THR 0.788153 0.023893 105 MET 0.817269 0.031859 106 THR 0.829218 0.028735 107 THR 0.853333 0.036580 108 SER 0.799015 0.031792 109 ASP 0.802383 0.028902 110 ASN 0.814096 0.030070 111 THR 0.794995 0.025366 112 ALA 0.775304 0.020581 113 ALA 0.849215 0.020084 114 ASN 0.830339 0.018368 115 ILE 0.820926 0.026071 116 ILE 0.832507 0.025585 117 LEU 0.780142 0.023092 118 SER 0.788060 0.014442 119 ALA 0.762918 0.015190 120 VAL 0.813187 0.020782 121 GLY 0.829960 0.020638 122 GLY 0.830457 0.019861 125 GLY 0.828627 0.020663 126 VAL 0.821538 0.025273 127 THR 0.750509 0.023809 128 ASP 0.816206 0.017921 129 PHE 0.803000 0.019930 130 LEU 0.830262 0.026297 131 ARG 0.835354 0.024599 132 GLN 0.779275 0.016672 133 ILE 0.606244 0.017512 134 GLY 0.834853 0.023229 135 ASP 0.767442 0.019182 136 LYS 0.768131 0.027010 138 THR 0.811321 0.023389 139 ARG 0.783266 0.024188 140 LEU 0.796389 0.027093 141 ASP 0.838867 0.043951 142 ARG 0.794521 0.026594 143 ILE 0.825605 0.030615 144 GLU 0.804348 0.033656 147 LEU 0.790111 0.026184 149 GLU 0.825319 0.022929 150 GLY 0.786080 0.029293 153 GLY 0.735417 0.056518 154 ASP 0.807540 0.016373 155 LEU 0.791751 0.027601 156 ARG 0.816667 0.020133 157 ASP 0.807171 0.029426 158 THR 0.843813 0.024046 159 THR 0.822042 0.029005 160 THR 0.769078 0.021092 164 ILE 0.808911 0.019841 165 ALA 0.849899 0.019153 166 SER 0.489447 0.013360 168 LEU 0.795132 0.021924 169 ASN 0.805000 0.019860 170 LYS 0.811475 0.020545 171 PHE 0.786070 0.017580 172 LEU 0.831683 0.023914 173 PHE 0.778455 0.022538 174 GLY 0.719797 0.019013 175 SER 0.700593 0.049865 176 ALA 0.669941 0.014945 177 LEU 0.782347 0.016237 178 SER 0.778004 0.022334 179 GLU 0.784413 0.017675 180 MET 0.772036 0.015245 181 ASN 0.843913 0.021963 183 LYS 0.786469 0.019863 184 LYS 0.809426 0.019931 185 LEU 0.827621 0.020478 186 GLU 0.844311 0.029480 187 SER 0.795499 0.016779 188 TRP 0.812249 0.017242 189 MET 0.762487 0.027048 190 VAL 0.794297 0.027258 191 ASN 0.814619 0.036249 192 ASN 0.806739 0.017751 193 GLN 0.767068 0.027965 194 VAL 0.762887 0.023029 195 THR 0.765829 0.018368 196 GLY 0.739394 0.075713 197 ASN 0.800000 0.019055 198 LEU 0.812929 0.022973 199 LEU 0.796970 0.051924 200 ARG 0.835041 0.039738 201 SER 0.790560 0.019165 202 VAL 0.808008 0.023865 203 LEU 0.827925 0.018638 205 ALA 0.761523 0.013061 206 GLY 0.731781 0.023880 207 TRP 0.769308 0.013971 208 ASN 0.774874 0.023484 209 ILE 0.855385 0.018720 210 ALA 0.811823 0.034504 211 ASP 0.795205 0.020345 212 ARG 0.805258 0.029829 213 SER 0.846078 0.073303 214 GLY 0.813609 0.032471 216 GLY 0.730417 0.019715 217 GLY 0.790890 0.027334 218 PHE 0.770751 0.026985 219 GLY 0.750745 0.024487 220 ALA 0.836435 0.018515 221 ARG 0.788618 0.030117 223 ILE 0.804238 0.027012 224 THR 0.835574 0.037073 225 ALA 0.787449 0.021411 226 VAL 0.820101 0.025320 227 VAL 0.800607 0.026722 229 SER 0.801595 0.021109 230 GLU 0.708589 0.021930 231 HIS 0.640360 0.029716 232 GLN 0.637089 0.013855 233 ALA 0.748272 0.017890 235 ILE 0.782787 0.026947 236 ILE 0.769310 0.021141 237 VAL 0.803662 0.024223 238 SER 0.812562 0.023252 239 ILE 0.809766 0.025486 240 TYR 0.812500 0.023657 241 LEU 0.765347 0.025871 242 ALA 0.766798 0.020795 243 GLN 0.813000 0.028663 244 THR 0.797379 0.020229 245 GLN 0.756345 0.030830 247 SER 0.758727 0.021522 248 MET 0.789525 0.090312 249 GLU 0.772819 0.017291 250 GLU 0.810398 0.023368 251 ARG 0.822199 0.025839 252 ASN 0.762897 0.019453 254 ALA 0.790258 0.016179 255 ILE 0.802645 0.024171 256 VAL 0.808050 0.020141 257 LYS 0.797189 0.021070 259 GLY 0.822157 0.025816 260 HIS 0.812000 0.019953 261 SER 0.793103 0.016595 262 ILE 0.831000 0.024548 264 ASP 0.788560 0.016950 265 VAL 0.777998 0.019300 266 TYR 0.804527 0.026290 267 THR 0.665647 0.012809 268 SER 0.449041 0.008001 269 GLN 0.080457 0.006181 270 SER -0.347293 0.005761 271 ARG -0.801811 0.003863 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'PSE-4 mature enzyme' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 LYS 0.571567 0.042920 5 PHE 0.693433 0.018812 6 GLN 0.797967 0.019974 7 GLN 0.772667 0.022013 8 VAL 0.793067 0.022064 9 GLU 0.858433 0.026384 10 GLN 0.765267 0.019894 11 ASP 0.859467 0.020538 12 VAL 0.828233 0.026157 13 LYS 0.791167 0.021651 14 ALA 0.843800 0.021202 15 ILE 0.823300 0.025358 17 VAL 0.821067 0.023304 18 SER 0.790967 0.019300 20 SER 0.825500 0.023623 22 ARG 0.729500 0.024970 23 ILE 0.779967 0.029732 24 GLY 0.808233 0.031713 25 VAL 0.846667 0.030700 26 SER 0.791433 0.026798 27 VAL 0.822633 0.030266 28 LEU 0.798500 0.032998 29 ASP 0.812600 0.033983 30 THR 0.681500 0.027005 31 GLN 0.624700 0.016272 32 ASN 0.625800 0.021136 33 GLY 0.729833 0.021921 34 GLU 0.721467 0.018810 35 TYR 0.714233 0.023815 36 TRP 0.790967 0.035140 37 ASP 0.790233 0.015650 38 TYR 0.876400 0.036120 39 ASN 0.830333 0.028748 40 GLY 0.819233 0.029136 41 ASN 0.813333 0.023036 42 GLN 0.845533 0.027037 43 ARG 0.807367 0.023301 44 PHE 0.789733 0.033921 46 LEU 0.803367 0.047324 47 THR 0.805267 0.046220 49 THR 0.820167 0.030593 51 LYS 0.872600 0.027706 52 THR 0.855800 0.023677 53 ILE 0.852767 0.039002 54 ALA 0.865967 0.029912 55 CYS 0.794200 0.021662 56 ALA 0.819700 0.020226 57 LYS 0.799000 0.020815 59 LEU 0.863200 0.034370 60 TYR 0.850467 0.028849 61 ASP 0.817400 0.025296 62 ALA 0.837500 0.021883 63 GLU 0.837900 0.022649 64 GLN 0.801767 0.022535 65 GLY 0.782767 0.021103 66 LYS 0.791267 0.024770 67 VAL 0.734800 0.015111 70 ASN 0.798300 0.018873 71 SER 0.833033 0.020755 72 THR 0.800433 0.018523 73 VAL 0.778000 0.028542 74 GLU 0.712267 0.017050 75 ILE 0.740767 0.028542 76 LYS 0.774467 0.025619 78 ALA 0.767100 0.020023 79 ASP 0.746000 0.020436 80 LEU 0.773567 0.020696 83 TYR 0.749633 0.027231 84 SER 0.827933 0.027648 86 VAL 0.741000 0.032962 87 ILE 0.746000 0.045455 88 GLU 0.820900 0.024832 89 LYS 0.738100 0.021917 90 GLN 0.759433 0.024969 91 VAL 0.696600 0.018190 92 GLY 0.775733 0.033177 93 GLN 0.774467 0.018809 94 ALA 0.699800 0.016237 95 ILE 0.731900 0.029245 96 THR 0.814567 0.027300 97 LEU 0.857200 0.043756 98 ASP 0.781167 0.028350 99 ASP 0.852067 0.029879 100 ALA 0.844567 0.024172 101 CYS 0.782833 0.026552 102 PHE 0.796367 0.026041 104 THR 0.799567 0.026618 105 MET 0.775267 0.039880 106 THR 0.855333 0.034185 107 THR 0.823867 0.043933 108 SER 0.858667 0.041624 109 ASP 0.817633 0.041336 110 ASN 0.840867 0.035378 111 THR 0.814967 0.033959 112 ALA 0.817633 0.023960 113 ALA 0.848500 0.022489 114 ASN 0.827700 0.024063 115 ILE 0.847033 0.032054 116 ILE 0.837633 0.035005 117 LEU 0.803467 0.027980 118 SER 0.843733 0.017771 119 ALA 0.804667 0.018018 120 VAL 0.804333 0.025112 121 GLY 0.840000 0.024480 122 GLY 0.835167 0.022436 125 GLY 0.862867 0.025350 126 VAL 0.750667 0.026913 127 THR 0.771867 0.028181 128 ASP 0.805433 0.020957 129 PHE 0.829067 0.024659 130 LEU 0.823133 0.034283 131 ARG 0.829500 0.028395 132 GLN 0.844633 0.021487 133 ILE 0.456767 0.018683 134 GLY 0.832767 0.027292 135 ASP 0.803433 0.023627 136 LYS 0.774967 0.031597 137 GLU 0.926333 0.030066 138 THR 0.833267 0.029920 139 ARG 0.815400 0.029721 140 LEU 0.841067 0.035193 141 ASP 0.772567 0.054502 142 ARG 0.786367 0.038150 143 ILE 0.813300 0.038028 144 GLU 0.840333 0.041916 147 LEU 0.818700 0.029897 149 GLU 0.822233 0.027562 150 GLY 0.832600 0.045163 153 GLY 0.784333 0.063754 154 ASP 0.804933 0.021369 155 LEU 0.793433 0.031858 156 ARG 0.827700 0.025948 157 ASP 0.859500 0.035646 158 THR 0.803833 0.029704 159 THR 0.820933 0.033197 160 THR 0.831133 0.025252 164 ILE 0.845867 0.033607 165 ALA 0.839833 0.021525 166 SER 0.445167 0.016663 168 LEU 0.826467 0.028454 169 ASN 0.778367 0.026650 170 LYS 0.872967 0.028088 171 PHE 0.843100 0.021437 172 LEU 0.764933 0.025468 173 PHE 0.827100 0.029441 174 GLY 0.761633 0.023449 175 SER 0.738033 0.055798 176 ALA 0.669800 0.017504 177 LEU 0.801733 0.019748 178 SER 0.820233 0.030507 179 GLU 0.804100 0.020320 180 MET 0.797800 0.017228 181 ASN 0.847167 0.028015 183 LYS 0.845333 0.024915 184 LYS 0.833167 0.022624 185 LEU 0.773133 0.025637 186 GLU 0.844133 0.024828 187 SER 0.800567 0.018776 188 TRP 0.800633 0.019196 189 MET 0.863800 0.033730 190 VAL 0.836033 0.034865 191 ASN 0.853300 0.027691 192 ASN 0.768600 0.022220 193 GLN 0.803800 0.038113 194 VAL 0.758067 0.027853 195 THR 0.765900 0.021270 196 GLY 0.784233 0.081288 197 ASN 0.840567 0.024304 198 LEU 0.827833 0.028240 199 LEU 0.772100 0.060613 200 ARG 0.851367 0.046802 201 SER 0.820400 0.022429 202 VAL 0.844900 0.028510 203 LEU 0.800000 0.020918 205 ALA 0.825067 0.016159 206 GLY 0.772633 0.027384 207 TRP 0.797100 0.018393 208 ASN 0.749833 0.027873 209 ILE 0.824233 0.021240 210 ALA 0.891500 0.041374 211 ASP 0.805267 0.027486 212 ARG 0.785500 0.039116 213 SER 0.764267 0.079580 214 GLY 0.849233 0.050756 216 GLY 0.752333 0.025022 217 GLY 0.828200 0.032085 218 PHE 0.829867 0.032597 219 GLY 0.840933 0.039318 220 ALA 0.826333 0.021086 221 ARG 0.834900 0.036838 223 ILE 0.831033 0.030968 224 THR 0.871733 0.047060 225 ALA 0.830800 0.031121 226 VAL 0.806367 0.030385 227 VAL 0.817233 0.032520 229 SER 0.816000 0.024095 230 GLU 0.717733 0.026913 231 HIS 0.663900 0.037667 232 GLN 0.666133 0.017433 233 ALA 0.774167 0.022407 235 ILE 0.867367 0.034797 236 ILE 0.845667 0.033960 237 VAL 0.819700 0.032368 238 SER 0.812233 0.027175 239 ILE 0.792100 0.030333 240 TYR 0.892567 0.030727 241 LEU 0.777167 0.033649 242 ALA 0.788433 0.024435 243 GLN 0.823300 0.034927 244 THR 0.764667 0.023890 245 GLN 0.796367 0.035576 247 SER 0.779967 0.027225 248 MET 0.760367 0.084191 249 GLU 0.780133 0.020672 250 GLU 0.823767 0.031447 251 ARG 0.711533 0.026879 252 ASN 0.818400 0.024569 254 ALA 0.863233 0.021213 255 ILE 0.805533 0.028665 256 VAL 0.833733 0.024608 257 LYS 0.813833 0.027424 259 GLY 0.820567 0.031833 260 HIS 0.827533 0.024160 261 SER 0.829567 0.018913 262 ILE 0.766933 0.029612 264 ASP 0.809200 0.020948 265 VAL 0.820700 0.026522 266 TYR 0.753567 0.029412 267 THR 0.687200 0.018277 268 SER 0.475967 0.009721 269 GLN 0.211767 0.008075 270 SER -0.157000 0.006376 271 ARG -0.843033 0.005038 stop_ save_ save_heteronuclear_noe_list_3 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $conditions_2 _Spectrometer_frequency_1H 800 _Mol_system_component_name 'PSE-4 mature enzyme' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 LYS 0.613900 0.026289 5 PHE 0.764400 0.017697 6 GLN 0.818500 0.019684 7 GLN 0.792100 0.017748 8 VAL 0.806600 0.019632 9 GLU 0.819200 0.020220 10 GLN 0.814400 0.018913 11 ASP 0.899000 0.019229 12 VAL 0.875400 0.026351 13 LYS 0.816100 0.019674 14 ALA 0.843700 0.017552 15 ILE 0.885400 0.022042 17 VAL 0.818300 0.020284 18 SER 0.834100 0.016323 20 SER 0.883000 0.021909 21 ALA 0.776900 0.020585 22 ARG 0.781700 0.021111 23 ILE 0.799800 0.025752 24 GLY 0.863700 0.035673 25 VAL 0.855900 0.028921 26 SER 0.874900 0.027713 27 VAL 0.882600 0.032796 28 LEU 0.834800 0.030554 29 ASP 0.812800 0.031656 30 THR 0.772000 0.022639 31 GLN 0.683600 0.018261 32 ASN 0.627500 0.019443 33 GLY 0.780800 0.018068 34 GLU 0.760900 0.016575 35 TYR 0.745100 0.020532 36 TRP 0.810700 0.031529 37 ASP 0.895900 0.015189 38 TYR 0.921000 0.029231 39 ASN 0.864700 0.028356 40 GLY 0.896100 0.031387 41 ASN 0.910100 0.020782 42 GLN 0.882000 0.025213 43 ARG 0.852500 0.021699 44 PHE 0.879900 0.034994 46 LEU 0.845800 0.045962 47 THR 0.875900 0.046828 49 THR 0.841900 0.026702 51 LYS 0.836400 0.024022 52 THR 0.879900 0.021684 53 ILE 0.873200 0.032937 54 ALA 0.948500 0.030200 55 CYS 0.923700 0.023095 56 ALA 0.903300 0.019156 57 LYS 0.917000 0.021390 59 LEU 0.866900 0.030484 60 TYR 0.851900 0.025748 61 ASP 0.887500 0.023778 62 ALA 0.878800 0.020611 63 GLU 0.890600 0.019377 64 GLN 0.834400 0.020562 65 GLY 0.860800 0.021018 66 LYS 0.838100 0.020805 67 VAL 0.748100 0.013790 70 ASN 0.878000 0.017196 71 SER 0.870100 0.017407 72 THR 0.869300 0.019002 73 VAL 0.813200 0.028557 74 GLU 0.759000 0.015220 75 ILE 0.749800 0.024654 76 LYS 0.824200 0.028811 78 ALA 0.843700 0.018215 79 ASP 0.738000 0.019383 80 LEU 0.792100 0.019317 81 VAL 0.793700 0.036987 83 TYR 0.757600 0.025005 84 SER 0.791800 0.022550 86 VAL 0.794100 0.031417 87 ILE 0.911400 0.057659 88 GLU 0.869500 0.022587 89 LYS 0.751700 0.020324 90 GLN 0.812000 0.020743 91 VAL 0.750000 0.017794 92 GLY 0.830100 0.031657 93 GLN 0.779600 0.016891 94 ALA 0.702900 0.012894 95 ILE 0.797600 0.024080 96 THR 0.871600 0.027382 97 LEU 0.873000 0.032489 98 ASP 0.926500 0.026479 99 ASP 0.870000 0.022504 100 ALA 0.918200 0.022795 101 CYS 0.866900 0.022123 102 PHE 0.858000 0.020997 104 THR 0.909900 0.025039 105 MET 0.863900 0.040329 106 THR 0.863200 0.032151 107 THR 0.943800 0.041294 108 SER 0.893800 0.038219 109 ASP 0.885100 0.040014 110 ASN 0.850600 0.035919 111 THR 0.939600 0.028157 112 ALA 0.891800 0.025379 113 ALA 0.869600 0.020375 114 ASN 0.876300 0.021811 115 ILE 0.861300 0.029501 116 ILE 0.835000 0.028529 117 LEU 0.851100 0.029637 118 SER 0.878100 0.015555 119 ALA 0.843000 0.016973 120 VAL 0.874100 0.022789 121 GLY 0.904300 0.025154 122 GLY 0.904300 0.024403 125 GLY 0.900900 0.024712 126 VAL 0.859200 0.021476 127 THR 0.818000 0.026198 128 ASP 0.907200 0.021634 129 PHE 0.941700 0.023879 130 LEU 0.871300 0.026962 131 ARG 0.940000 0.026491 132 GLN 0.834600 0.017084 133 ILE 0.719700 0.019911 134 GLY 0.877300 0.026582 135 ASP 0.871100 0.021503 136 LYS 0.865000 0.031043 137 GLU 0.879300 0.030423 138 THR 0.846800 0.027175 139 ARG 0.882200 0.028087 140 LEU 0.832500 0.029433 141 ASP 0.919900 0.055637 142 ARG 0.816600 0.033990 143 ILE 0.848100 0.028317 144 GLU 0.882700 0.041802 147 LEU 0.882000 0.033031 149 GLU 0.888200 0.026960 150 GLY 0.848500 0.035158 153 GLY 0.776100 0.063050 154 ASP 0.881900 0.020803 155 LEU 0.822600 0.030670 156 ARG 0.866500 0.023534 157 ASP 0.881400 0.037618 158 THR 0.912200 0.025157 159 THR 0.906500 0.030282 160 THR 0.871300 0.023354 164 ILE 0.891800 0.020794 165 ALA 0.882400 0.020613 166 SER 0.586300 0.016596 168 LEU 0.917500 0.026356 169 ASN 0.876500 0.021702 170 LYS 0.910100 0.022537 171 PHE 0.879000 0.020410 172 LEU 0.864900 0.023878 173 PHE 0.890500 0.025625 174 GLY 0.789100 0.020081 175 SER 0.739600 0.046534 176 ALA 0.718900 0.017496 177 LEU 0.853700 0.018066 178 SER 0.792300 0.029371 179 GLU 0.856400 0.021048 180 MET 0.810200 0.015195 181 ASN 0.859400 0.025307 183 LYS 0.831200 0.022423 184 LYS 0.850800 0.021928 185 LEU 0.832700 0.024029 186 GLU 0.922000 0.023878 187 SER 0.873900 0.017392 188 TRP 0.888200 0.018669 189 MET 0.875500 0.031946 190 VAL 0.918800 0.039227 191 ASN 0.968600 0.036342 192 ASN 0.837800 0.022227 193 GLN 0.881800 0.036947 194 VAL 0.845900 0.025139 195 THR 0.814200 0.019293 196 GLY 0.886700 0.106186 197 ASN 0.914500 0.022339 198 LEU 0.849400 0.026767 199 LEU 0.974400 0.065943 200 ARG 0.903500 0.045745 201 SER 0.907900 0.024536 202 VAL 0.884700 0.026327 203 LEU 0.863100 0.020402 205 ALA 0.833800 0.014753 206 GLY 0.756600 0.023354 207 TRP 0.822800 0.016316 208 ASN 0.844200 0.030582 209 ILE 0.845000 0.019083 210 ALA 0.871400 0.041344 211 ASP 0.878600 0.023292 212 ARG 0.808400 0.029786 213 SER 0.924300 0.076424 214 GLY 0.910900 0.045990 216 GLY 0.813900 0.023613 217 GLY 0.982200 0.039595 218 PHE 0.866900 0.029451 219 GLY 0.883200 0.039070 220 ALA 0.918600 0.023493 221 ARG 0.856800 0.033855 222 SER 0.891700 0.037246 223 ILE 0.898100 0.033690 224 THR 0.874700 0.040197 225 ALA 0.879500 0.027655 226 VAL 0.928700 0.029066 227 VAL 0.934200 0.032051 229 SER 0.879300 0.024278 230 GLU 0.727700 0.022885 231 HIS 0.710600 0.031839 232 GLN 0.736200 0.016263 233 ALA 0.809400 0.022425 235 ILE 0.871700 0.029761 236 ILE 0.930300 0.026535 237 VAL 0.863900 0.027102 238 SER 0.884700 0.027491 239 ILE 0.891600 0.028434 240 TYR 0.873700 0.027901 241 LEU 0.811000 0.033796 242 ALA 0.816200 0.024498 243 GLN 0.806300 0.032988 244 THR 0.820500 0.021112 245 GLN 0.850400 0.037782 247 SER 0.868200 0.029327 248 MET 0.783300 0.076190 249 GLU 0.878100 0.023746 250 GLU 0.836700 0.026463 251 ARG 0.816800 0.026208 252 ASN 0.881900 0.026000 254 ALA 0.880000 0.019605 255 ILE 0.876500 0.026878 256 VAL 0.869400 0.024329 257 LYS 0.845900 0.025740 258 ILE 0.851500 0.022189 259 GLY 0.913600 0.030517 260 HIS 0.875800 0.025734 261 SER 0.820600 0.016235 262 ILE 0.894000 0.029683 263 PHE 0.862000 0.025609 264 ASP 0.887500 0.019843 265 VAL 0.822900 0.025711 266 TYR 0.859200 0.026256 267 THR 0.687000 0.014529 268 SER 0.589000 0.009028 269 GLN 0.419400 0.006528 270 SER 0.080500 0.004589 271 ARG -0.393300 0.003155 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details ; The Rex values and errors provided are scaled for a 600 MHz field. That is, they originate from the model-free analysis of data from all three fields (500, 600, 800), but are scaled for the 600 MHz field. ; loop_ _Experiment_label $15N-T1_8 $15N-T2_9 $1H-15N-NOE_10 stop_ loop_ _Sample_label $sample_4 $sample_4 $sample_4 $sample_4 $sample_4 $sample_4 stop_ _Sample_conditions_label $conditions_2 _Mol_system_component_name 'PSE-4 mature enzyme' _Tau_e_value_units ps _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 4 LYS N m2 0.82927928771623782 0.02021718310887086 856.17830254857961 99.80088372592553 . . . . . . . . . . 5 PHE N m5 0.76088395652456997 0.01677755811224131 . . 0.8460118525158723 0.012415204412557975 0.89937741919554814 0.011015742947941148 1143.5688444367217 127.97800036749871 . . . . 6 GLN N m2 0.87718416391524712 0.01177761937741180 16.682343861773674 3.8968898395644676 . . . . . . . . . . 7 GLN N m5 0.83783729785230698 0.01734584422401528 . . 0.89565528115695803 0.012774631639380885 0.9354461649241157 0.010226562843724075 1267.1072180485478 236.49281720379466 . . . . 8 VAL N m2 0.86139139024498812 0.00951548745247430 14.840632906698829 3.877931552218032 . . . . . . . . . . 9 GLU N m1 0.89514079009156688 0.01192776359935555 . . . . . . . . . . . . 10 GLN N m2 0.85653070487274330 0.01110482217106101 11.267547266684193 3.7827366216039748 . . . . . . . . . . 11 ASP N m1 0.85810591067546760 0.01382499076357308 . . . . . . . . . . . . 12 VAL N m1 0.89149681532103275 0.01022734413087541 . . . . . . . . . . . . 13 LYS N m2 0.90523731628757620 0.01234129492426758 12.646828990272766 5.9072562629753982 . . . . . . . . . . 14 ALA N m3 0.87264402263299434 0.01630894789152566 . . . . . . . . . . . . 15 ILE N m1 0.86815176009464512 0.01022540774916901 . . . . . . . . . . . . 17 VAL N m1 0.84384044395899294 0.01025405138826684 . . . . . . . . . . . . 18 SER N m2 0.87465629484446505 0.01321206758173315 9.9083932207718188 4.8181878020889224 . . . . . . . . . . 20 SER N m1 0.84903829903624661 0.01106925054237551 . . . . . . . . . . . . 22 ARG N m2 0.86794133966748377 0.01214053609669708 21.376131469517155 3.9336896183787893 . . . . . . . . . . 23 ILE N m2 0.84422041805972670 0.01084644031449202 11.348742843685271 3.3286585345051081 . . . . . . . . . . 24 GLY N m1 0.87337872099135760 0.01141865451709750 . . . . . . . . . . . . 25 VAL N m1 0.87892026006036328 0.01123068962024509 . . . . . . . . . . . . 26 SER N m1 0.90240722266205486 0.01162521570536977 . . . . . . . . . . . . 27 VAL N m1 0.86422006155669540 0.01182008819506423 . . . . . . . . . . . . 28 LEU N m1 0.87289856220336215 0.01213170568530301 . . . . . . . . . . . . 29 ASP N m2 0.86725048500460822 0.01124667301578077 13.679626986565605 4.8554775626177697 . . . . . . . . . . 30 THR N m5 0.81145502113471302 0.01902226374800703 . . 0.86839629308107524 0.013616333940866726 0.93442939312380724 0.012152082840012882 1180.372664814925 239.75889876412631 . . . . 31 GLN N m5 0.82850238304693136 0.01544688486344442 . . 0.90371337026752108 0.012037888691922875 0.91677561747445935 0.0094484249576775349 591.97091827348538 106.32298539981338 . . . . 32 ASN N m6 0.63972792027449343 0.01459158451406110 . . 0.74933549310654779 0.012799921165704178 0.85372697030851941 0.012781599576040359 1586.1083348320967 250.11191583965447 . . . . 33 GLY N m5 0.75904408282774971 0.01919507066218655 . . 0.8365318051435866 0.013704461441938095 0.90737026154966516 0.011584435571672802 1524.3673564561477 221.60407060314546 . . . . 34 GLU N m5 0.79074587564054055 0.01495065108091548 . . 0.84613639292042686 0.011832823980935719 0.93453712930523314 0.010098159807387101 902.17990588759517 166.43369948565871 . . . . 35 TYR N m5 0.79712102304122834 0.01673904650309276 . . 0.85732186630330853 0.011963676857453304 0.92978034781538865 0.010600029710757988 975.82977382943875 153.65573607046005 . . . . 36 TRP N m4 0.86403652946421072 0.01755666498249188 11.021549903149248 5.1692314746461747 . . . . . . . . . . 37 ASP N m1 0.84166352830588298 0.01056317851522603 . . . . . . . . . . . . 38 TYR N m1 0.84841621262168043 0.01236135203591852 . . . . . . . . . . . . 39 ASN N m1 0.89845662108212176 0.01208055388436351 . . . . . . . . . . . . 40 GLY N m1 0.88339602372427961 0.01228464953555959 . . . . . . . . . . . . 41 ASN N m1 0.90985014647331763 0.01253904406805731 . . . . . . . . . . . . 42 GLN N m1 0.89190327462070185 0.01160876804666163 . . . . . . . . . . . . 43 ARG N m1 0.82567124298689876 0.01143865695570419 . . . . . . . . . . . . 44 PHE N m1 0.89016380285630048 0.01321796779180754 . . . . . . . . . . . . 46 LEU N m1 0.93951532442820929 0.02047256991979210 . . . . . . . . . . . . 47 THR N m1 0.94395009405923791 0.01497213085624570 . . . . . . . . . . . . 49 THR N m1 0.96716030301948275 0.01256672617070933 . . . . . . . . . . . . 51 LYS N m1 0.94312023985772642 0.01209216675866235 . . . . . . . . . . . . 52 THR N m1 0.89245316527561869 0.01483929975391496 . . . . . . . . . . . . 53 ILE N m1 0.92216754499145948 0.01407099774164051 . . . . . . . . . . . . 54 ALA N m3 0.88054761728662778 0.01509246664738950 . . . . . . . . . . . . 55 CYS N m1 0.86735375660190117 0.01168849321634876 . . . . . . . . . . . . 56 ALA N m3 0.89415377044841826 0.01648668538079483 . . . . . . . . . . . . 57 LYS N m1 0.90513126816216072 0.01242862191101083 . . . . . . . . . . . . 59 LEU N m1 0.88369543181097832 0.01078499009349220 . . . . . . . . . . . . 60 TYR N m1 0.91504091791895759 0.01047180796280031 . . . . . . . . . . . . 61 ASP N m1 0.90509245422375029 0.01239332409376419 . . . . . . . . . . . . 62 ALA N m1 0.89615135455096773 0.01256284080919970 . . . . . . . . . . . . 63 GLU N m1 0.88039021778551485 0.01046104201230101 . . . . . . . . . . . . 64 GLN N m1 0.81656255849494563 0.01030672745246084 . . . . . . . . . . . . 65 GLY N m1 0.85228552453203499 0.00986853512642905 . . . . . . . . . . . . 66 LYS N m2 0.87791295796718716 0.01178900293652721 11.826615401262305 4.3254127484651175 . . . . . . . . . . 67 VAL N m2 0.79425898561438490 0.00984129781620192 16.578019718348752 2.4200110611903738 . . . . . . . . . . 70 ASN N m1 0.85077310060673828 0.01020216265342947 . . . . . . . . . . . . 71 SER N m3 0.84092204499664236 0.01484003338178117 . . . . . . . . . . . . 72 THR N m1 0.84729242055272613 0.01148574292931275 . . . . . . . . . . . . 73 VAL N m2 0.85936721411311534 0.01061050513793054 13.605221809145721 4.4563861029809857 . . . . . . . . . . 74 GLU N m2 0.79764877508783061 0.00995180675363746 17.79968824496385 2.4515639651855925 . . . . . . . . . . 75 ILE N m2 0.80544217256357387 0.01020981858023862 19.070749743392291 2.7394474822948873 . . . . . . . . . . 76 LYS N m5 0.83437778027720388 0.01513711014092203 . . 0.85629430214880442 0.038767693681811488 0.97440538630631701 0.033089613522390843 498.33174111785684 307.72780912121851 . . . . 78 ALA N m2 0.90692746617434250 0.01170117122682847 17.026868379995243 5.8755586839544698 . . . . . . . . . . 79 ASP N m2 0.83059814965737788 0.01104104545476502 20.344035720474526 3.2197332278892259 . . . . . . . . . . 80 LEU N m2 0.85398185164062546 0.01116953499103753 14.235980408435159 3.6055885318629075 . . . . . . . . . . 83 TYR N m5 0.80193758091368783 0.01794641544679328 . . 0.85499891249171378 0.013266610128917623 0.93793988412992257 0.010654226564425219 1008.4887604774991 187.76238936808736 . . . . 84 SER N m2 0.82482783487189837 0.01273942978933847 9.5082654952077803 3.0998567671623638 . . . . . . . . . . 86 VAL N m2 0.89883321214302470 0.01204368772590271 30.362342864885896 7.2968912772020156 . . . . . . . . . . 87 ILE N m1 0.88168750893832581 0.01464019507550939 . . . . . . . . . . . . 88 GLU N m3 0.91050319002372648 0.01432330604366476 . . . . . . . . . . . . 89 LYS N m5 0.84496426559423021 0.01378412822190961 . . 0.87573403698529428 0.021651055145559778 0.96486402253247039 0.015576151970789567 392.69131632639227 170.00089252014732 . . . . 90 GLN N m2 0.82284465794443429 0.01188797014724467 12.454793136134244 2.7001678868518737 . . . . . . . . . . 91 VAL N m2 0.80994400872422667 0.01035337685082597 21.316160125144197 3.1357206365179255 . . . . . . . . . . 92 GLY N m2 0.89231072319515825 0.01067458275618277 15.790909491947962 5.7738870857522926 . . . . . . . . . . 93 GLN N m2 0.85622870585963096 0.01228857162618588 16.210830243678117 4.0242472570574366 . . . . . . . . . . 94 ALA N m2 0.75612541984279513 0.00981665045858039 19.076798989807784 1.9953778508706281 . . . . . . . . . . 95 ILE N m2 0.82546338323007717 0.01107217032398926 15.915557182565673 3.1489958230339408 . . . . . . . . . . 96 THR N m1 0.86768197931468471 0.01222521971636342 . . . . . . . . . . . . 97 LEU N m3 0.86264818498391882 0.01551347937274906 . . . . . . . . . . . . 98 ASP N m3 0.87260791552548922 0.01483923034085859 . . . . . . . . . . . . 99 ASP N m1 0.89404227444109541 0.01191426229862994 . . . . . . . . . . . . 100 ALA N m1 0.89760716838064003 0.01162413530156853 . . . . . . . . . . . . 101 CYS N m3 0.87481368847416241 0.01393755450112067 . . . . . . . . . . . . 102 PHE N m1 0.89582019338388275 0.01442094072494794 . . . . . . . . . . . . 104 THR N m1 0.92453215353317608 0.01144127732786678 . . . . . . . . . . . . 105 MET N m3 0.94287237967717175 0.01812313335915205 . . . . . . . . . . . . 106 THR N m3 0.91677729896479954 0.01672585875362147 . . . . . . . . . . . . 107 THR N m1 0.92420281118215963 0.01656454457550953 . . . . . . . . . . . . 108 SER N m1 0.95191179103694024 0.01993713691941591 . . . . . . . . . . . . 109 ASP N m1 0.91954204554793573 0.01188327171542345 . . . . . . . . . . . . 110 ASN N m1 0.96578102872405791 0.01325884129272192 . . . . . . . . . . . . 111 THR N m3 0.91563564276844667 0.01967494437194374 . . . . . . . . . . . . 112 ALA N m1 0.89676831126996948 0.01069169317486463 . . . . . . . . . . . . 113 ALA N m1 0.88643798689743591 0.01089430685268240 . . . . . . . . . . . . 114 ASN N m3 0.88501740070272539 0.01430155860969651 . . . . . . . . . . . . 115 ILE N m1 0.89592983478118415 0.01283751925554867 . . . . . . . . . . . . 116 ILE N m3 0.88367611606578600 0.01583560441293976 . . . . . . . . . . . . 117 LEU N m1 0.90450408400223359 0.01190691438337507 . . . . . . . . . . . . 118 SER N m1 0.85750418623773572 0.01164898692272534 . . . . . . . . . . . . 119 ALA N m5 0.81380619761571837 0.01875418576935468 . . 0.85037340884938661 0.01383617770822413 0.95699864218103181 0.010175746835610427 1806.4938149721879 976.52304617250525 . . . . 120 VAL N m1 0.81867759987034505 0.01099526236948690 . . . . . . . . . . . . 121 GLY N m1 0.90651959738935250 0.01223196575939645 . . . . . . . . . . . . 122 GLY N m1 0.90150537307012646 0.01246293396928265 . . . . . . . . . . . . 125 GLY N m1 0.89706328213855557 0.01176279282864847 . . . . . . . . . . . . 126 VAL N m3 0.87249315328354204 0.01449733416406112 . . . . . . . . . . . . 127 THR N m2 0.90684867102221423 0.01142638210472242 20.010497194904147 7.396159001007562 . . . . . . . . . . 128 ASP N m1 0.92007653999715000 0.01203285394236229 . . . . . . . . . . . . 129 PHE N m1 0.90632240342952486 0.01131389720336756 . . . . . . . . . . . . 130 LEU N m3 0.89992457824026606 0.01658434676285932 . . . . . . . . . . . . 131 ARG N m3 0.90696996643415972 0.01525631867882245 . . . . . . . . . . . . 132 GLN N m1 0.88916909450612114 0.01239116121414593 . . . . . . . . . . . . 133 ILE N m5 0.72172960165014444 0.02380658394799740 . . 0.81243115327016269 0.01742215332880551 0.88835786114930437 0.013514203936754992 654.18049070198822 96.647238684822156 . . . . 134 GLY N m1 0.88719208196240928 0.01165091731893692 . . . . . . . . . . . . 135 ASP N m1 0.88364115558357992 0.01280417370201661 . . . . . . . . . . . . 136 LYS N m1 0.84463369866335802 0.01289128414791622 . . . . . . . . . . . . 138 THR N m1 0.84205867386155175 0.01110735496687871 . . . . . . . . . . . . 139 ARG N m3 0.90892312272173681 0.01583251950440059 . . . . . . . . . . . . 140 LEU N m1 0.90161840161617701 0.01322440367272195 . . . . . . . . . . . . 141 ASP N m1 0.85924471000408564 0.01895124499409635 . . . . . . . . . . . . 142 ARG N m2 0.82225041760779838 0.01370798549004000 7.0482669018427702 2.9004722337795457 . . . . . . . . . . 143 ILE N m1 0.81651362964781582 0.01282444340256074 . . . . . . . . . . . . 144 GLU N m1 0.90588283674758907 0.01452254220640148 . . . . . . . . . . . . 147 LEU N m1 0.92536239181784063 0.01369598549754969 . . . . . . . . . . . . 149 GLU N m1 0.91185820726071809 0.01099104098610652 . . . . . . . . . . . . 150 GLY N m1 0.87432001073011534 0.01396408894739112 . . . . . . . . . . . . 153 GLY N m1 0.92737003711151633 0.03135982237163613 . . . . . . . . . . . . 154 ASP N m1 0.88340613029773774 0.01195480832576739 . . . . . . . . . . . . 155 LEU N m2 0.85411471532473504 0.01351196499074340 10.618205178460018 4.5229210136544928 . . . . . . . . . . 156 ARG N m3 0.91838086529074237 0.01748318298189071 . . . . . . . . . . . . 157 ASP N m1 0.87825192432428500 0.01349206731179508 . . . . . . . . . . . . 158 THR N m1 0.86673846288662060 0.01211120743562594 . . . . . . . . . . . . 159 THR N m1 0.88858064332566600 0.01165495887636009 . . . . . . . . . . . . 160 THR N m1 0.85808726584547246 0.01240353420649560 . . . . . . . . . . . . 164 ILE N m1 0.88521158308889825 0.01468988065885596 . . . . . . . . . . . . 165 ALA N m1 0.93010208739432132 0.01182799319062979 . . . . . . . . . . . . 168 LEU N m1 0.92885872541953274 0.01246689209022313 . . . . . . . . . . . . 169 ASN N m1 0.89526951739184280 0.01614982844887704 . . . . . . . . . . . . 170 LYS N m1 0.89152493361907814 0.01672976281735986 . . . . . . . . . . . . 171 PHE N m1 0.86153952692285674 0.01217768276754697 . . . . . . . . . . . . 172 LEU N m1 0.88443245491997635 0.01157421903390719 . . . . . . . . . . . . 173 PHE N m1 0.85349920696869241 0.01369419670552295 . . . . . . . . . . . . 174 GLY N m5 0.73162428959857484 0.01711071364039064 . . 0.77358898903444673 0.012087348810580678 0.94575323585170201 0.010552431909650288 1065.648636399301 254.60450640684132 . . . . 175 SER N m2 0.79776646227144854 0.02479343781126598 18.865414915599104 5.8355356751892993 . . . . . . . . . . 176 ALA N m5 0.80024890589820330 0.01704135033403918 . . 0.87176393477684366 0.012672724515778749 0.91796514397335449 0.010875475752931007 898.30642071724947 130.47100506637369 . . . . 177 LEU N m2 0.83834033198474034 0.01109761443678497 6.6473480986114906 3.0532095809230255 . . . . . . . . . . 178 SER N m2 0.82145720039625203 0.01084650746612004 7.8602830221570468 3.2901249724669017 . . . . . . . . . . 179 GLU N m1 0.86817270905290245 0.01196600803330210 . . . . . . . . . . . . 180 MET N m2 0.86992563484718977 0.01103319063266444 13.715037678829498 4.4651719923785205 . . . . . . . . . . 181 ASN N m1 0.88922771276978474 0.01120944627221520 . . . . . . . . . . . . 183 LYS N m1 0.86856241204333451 0.01099244636826871 . . . . . . . . . . . . 184 LYS N m1 0.87120911453049299 0.01180136818657748 . . . . . . . . . . . . 185 LEU N m3 0.88836911079912584 0.01557758775481724 . . . . . . . . . . . . 186 GLU N m1 0.90056212846715045 0.01269617759278617 . . . . . . . . . . . . 187 SER N m1 0.88393931156104000 0.01125932747491711 . . . . . . . . . . . . 188 TRP N m1 0.90005098833402641 0.01121024262530011 . . . . . . . . . . . . 190 VAL N m1 0.95205545515496093 0.01442587181985879 . . . . . . . . . . . . 191 ASN N m1 0.89406309183594301 0.01340392336744296 . . . . . . . . . . . . 192 ASN N m2 0.85102547944700357 0.01017480947011648 7.8393751256769821 3.4143654775472716 . . . . . . . . . . 193 GLN N m1 0.89454227484897597 0.01547421172008936 . . . . . . . . . . . . 194 VAL N m2 0.90381495750729945 0.01137860508416502 16.095839585659881 6.2970522655286638 . . . . . . . . . . 195 THR N m2 0.91807418108377792 0.01248069975668938 25.548874452565968 8.6830817582415598 . . . . . . . . . . 197 ASN N m1 0.89613725320436988 0.01553203024041565 . . . . . . . . . . . . 198 LEU N m3 0.86643922019774766 0.01428785225197694 . . . . . . . . . . . . 199 LEU N m3 0.85530816087469641 0.02840072977938381 . . . . . . . . . . . . 200 ARG N m1 0.92308963723519344 0.01991480005357944 . . . . . . . . . . . . 201 SER N m1 0.90668867299640599 0.01421878408864884 . . . . . . . . . . . . 202 VAL N m1 0.88467186682187404 0.01207916420436896 . . . . . . . . . . . . 203 LEU N m1 0.81440169877347501 0.01024108071368433 . . . . . . . . . . . . 205 ALA N m2 0.81403364801018718 0.01154701698604638 6.2406763903666924 2.6382508270232439 . . . . . . . . . . 206 GLY N m2 0.77691532246655670 0.01512958281405212 12.801120613441599 2.4236615741160952 . . . . . . . . . . 207 TRP N m2 0.85228113989757315 0.01135641038926976 11.010941951035349 4.231787814757241 . . . . . . . . . . 208 ASN N m4 0.81695957980267242 0.01546300020810884 8.8715259928689179 2.9527971826764068 . . . . . . . . . . 209 ILE N m1 0.84603637951487320 0.01114508996726525 . . . . . . . . . . . . 210 ALA N m1 0.85925432698887638 0.01555928589685018 . . . . . . . . . . . . 211 ASP N m3 0.85825926460368562 0.01612732929687651 . . . . . . . . . . . . 212 ARG N m3 0.88055353488638721 0.02308981841156066 . . . . . . . . . . . . 214 GLY N m3 0.88216165435803484 0.02156968096227922 . . . . . . . . . . . . 216 GLY N m2 0.84777984648601257 0.01106400780277526 14.65380983954654 3.4264966680265587 . . . . . . . . . . 217 GLY N m1 0.91356066955076121 0.01238750852166423 . . . . . . . . . . . . 218 PHE N m1 0.92233073074521521 0.01285737279944736 . . . . . . . . . . . . 219 GLY N m1 0.92820744214936612 0.01266684455228182 . . . . . . . . . . . . 220 ALA N m1 0.93446121281781136 0.01270655024792569 . . . . . . . . . . . . 221 ARG N m3 0.88763796129884176 0.01563000650809237 . . . . . . . . . . . . 223 ILE N m1 0.90592162307876234 0.01276626673888010 . . . . . . . . . . . . 224 THR N m1 0.90912590965117124 0.01549939182525010 . . . . . . . . . . . . 225 ALA N m1 0.85424198883559033 0.01211739152391614 . . . . . . . . . . . . 226 VAL N m1 0.83469191218948224 0.01037619355801471 . . . . . . . . . . . . 227 VAL N m1 0.91431319227860119 0.01102527864395862 . . . . . . . . . . . . 229 SER N m1 0.87445697747126894 0.01160890661744593 . . . . . . . . . . . . 230 GLU N m2 0.86356409207870899 0.01470768520424484 34.479690396549621 5.7952950633917277 . . . . . . . . . . 231 HIS N m5 0.74687608812909145 0.02006310262331055 . . 0.79627141463162865 0.029303978092767961 0.93796672140316817 0.02201516063445241 495.10610234225635 180.75212421112531 . . . . 232 GLN N m5 0.70708023164540867 0.01480266583743385 . . 0.76500555832974659 0.011497050429647982 0.92428116887044909 0.0098124763504100609 766.66863846903573 114.55888224523376 . . . . 233 ALA N m2 0.86198357179280316 0.01228666890234770 14.765742778106523 4.0168146944707948 . . . . . . . . . . 235 ILE N m1 0.87843714083959690 0.01221068786722300 . . . . . . . . . . . . 236 ILE N m1 0.85172424007549030 0.01164590761363850 . . . . . . . . . . . . 237 VAL N m1 0.84966868401672591 0.01055489248399177 . . . . . . . . . . . . 238 SER N m1 0.87521691807297430 0.01242669816576821 . . . . . . . . . . . . 239 ILE N m1 0.87417168380545218 0.01281610942551234 . . . . . . . . . . . . 240 TYR N m1 0.84789497363165756 0.01252298379141013 . . . . . . . . . . . . 241 LEU N m4 0.84640869991319800 0.01617958517654504 11.828015177812574 3.3788541822055347 . . . . . . . . . . 242 ALA N m2 0.84660437538568456 0.01067565056617908 9.6855974899408057 3.5034118946912134 . . . . . . . . . . 243 GLN N m1 0.86119594159595447 0.01207078014303748 . . . . . . . . . . . . 244 THR N m2 0.84921886844863936 0.01172076993848404 8.9565506476922234 3.6258303827843412 . . . . . . . . . . 245 GLN N m1 0.87686282529028337 0.01540729485150956 . . . . . . . . . . . . 247 SER N m2 0.86643798331644095 0.01272373409152017 7.9564617755367042 4.0615025020533935 . . . . . . . . . . 248 MET N m1 0.85871534004876993 0.04726582507445690 . . . . . . . . . . . . 249 GLU N m1 0.89451777765582241 0.01131248869816310 . . . . . . . . . . . . 250 GLU N m1 0.88022274281717672 0.01138845213787434 . . . . . . . . . . . . 251 ARG N m2 0.90600323830075480 0.01328239684903378 21.301538351406688 6.0379825322597576 . . . . . . . . . . 252 ASN N m3 0.86658611441618727 0.01507563068809771 . . . . . . . . . . . . 254 ALA N m1 0.89126387050298095 0.01070309598033246 . . . . . . . . . . . . 255 ILE N m1 0.85628785258082363 0.01103694208414555 . . . . . . . . . . . . 256 VAL N m1 0.89826129745804084 0.01138791252531517 . . . . . . . . . . . . 257 LYS N m3 0.89772541654803539 0.01464320355224376 . . . . . . . . . . . . 259 GLY N m1 0.90003069345297593 0.01066496650354377 . . . . . . . . . . . . 260 HIS N m1 0.90349417446071645 0.01264937531579952 . . . . . . . . . . . . 261 SER N m1 0.87547788597284359 0.01108772940241042 . . . . . . . . . . . . 262 ILE N m3 0.88220450493739788 0.02044594147980869 . . . . . . . . . . . . 264 ASP N m1 0.92104433702774713 0.01114783342041784 . . . . . . . . . . . . 265 VAL N m2 0.88649892926541785 0.01075416687592085 10.056247804985553 4.7982116808584472 . . . . . . . . . . 266 TYR N m1 0.86033408973462233 0.01164551104689627 . . . . . . . . . . . . 267 THR N m5 0.72883050039364206 0.01498813362399417 . . 0.81047172054140071 0.011465475361457266 0.89926703414991238 0.010295395399752286 1008.582323312127 111.11466265140351 . . . . 268 SER N m6 0.52408266050280505 0.01339237063832314 . . 0.76121798412921493 0.012964719096332894 0.68847908408564773 0.012913337549413406 1911.0241840999174 169.02330667498302 . . . . 269 GLN N tm5 0.49357238618022375 0.01295535628305972 . . 0.82779729915782185 0.014907729174206954 0.59624788179711474 0.01095102644162493 727.01419479876881 30.185550920856645 . . . . 270 SER N tm6 0.11884481958302069 0.04918974316218599 . . 0.5390323797448513 0.036355192659258254 0.22047807153862517 0.074581758327978989 1460.9709751165826 126.18347581380226 . . . . 271 ARG N tm5 0.20075032899071332 0.00485531786902228 . . 0.61073449879181918 0.010128714878861115 0.32870310976020861 0.0055487443070851563 315.59403865291807 12.997995284928201 . . . . stop_ _Tau_s_value_units ps save_ save_H_exch_rate_list_1 _Saveframe_category H_exchange_rates _Details . loop_ _Experiment_label $15N-TROSY-HSQC_11 stop_ loop_ _Sample_label $sample_5 $sample_5 stop_ _Sample_conditions_label $conditions_3 _H_exchange_rate_units s-1 _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _H_exchange_rate_value _H_exchange_rate_min_value _H_exchange_rate_max_value _H_exchange_rate_value_error 4 LYS H . 1e-03 . . 5 PHE H . 1e-03 . . 6 GLN H . 1e-03 . . 7 GLN H . 1e-03 . . 8 VAL H . 1e-03 . . 9 GLU H 1.7e-5 . . 3.8e-7 11 ASP H 4.2e-5 . . 6.6e-7 12 VAL H 1.3e-6 . . 7.6e-8 13 LYS H 2.8e-6 . . 7.9e-8 14 ALA H 4.8e-5 . . 1.0e-6 15 ILE H 2.8e-6 . . 1.1e-7 17 VAL H 3.6e-5 . . 8.2e-7 18 SER H . 1e-03 . . 20 SER H . 1e-03 . . 21 ALA H 1.3e-4 . . 2.5e-6 22 ARG H 3.2e-5 . . 9.0e-7 23 ILE H 1.6e-5 . . 5.3e-7 24 GLY H 1.6e-6 . . 7.5e-8 25 VAL H 1.2e-6 . . 5.1e-8 26 SER H 1.9e-6 . . 5.6e-8 27 VAL H 1.4e-6 . . 5.7e-8 28 LEU H 9.7e-7 . . 3.5e-8 29 ASP H 2.6e-5 . . 8.1e-7 31 GLN H . 1e-03 . . 32 ASN H . 1e-03 . . 33 GLY H . 1e-03 . . 34 GLU H . 1e-03 . . 35 TYR H . 1e-03 . . 36 TRP H 3.9e-5 . . 1.4e-6 37 ASP H 1.7e-3 . . 3.7e-4 38 TYR H 1.6e-6 . . 6.4e-8 39 ASN H . 1e-03 . . 40 GLY H 2.5e-4 . . 8.7e-5 41 ASN H . 1e-03 . . 42 GLN H 9.5e-5 . . 2.8e-6 43 ARG H . 1e-03 . . 44 PHE H 2.4e-5 . . 1.7e-6 46 LEU H 3.3e-5 . . 3.3e-6 47 THR H . 1e-03 . . 49 THR H . 1e-03 . . 51 LYS H 5.2e-4 . . 7.3e-5 52 THR H 1.0e-3 . . 5.7e-4 53 ILE H 2.1e-5 . . 9.9e-7 54 ALA H 9.1e-6 . . 5.4e-7 55 CYS H 1.3e-5 . . 5.0e-7 56 ALA H 1.0e-5 . . 2.1e-7 57 LYS H 9.8e-6 . . 3.3e-7 59 LEU H 5.6e-6 . . 3.4e-7 60 TYR H 7.0e-6 . . 4.1e-7 61 ASP H 1.3e-5 . . 5.6e-7 62 ALA H 1.3e-5 . . 5.1e-7 63 GLU H 6.7e-5 . . 2.1e-6 64 GLN H . 1e-03 . . 65 GLY H . 1e-03 . . 66 LYS H . 1e-03 . . 67 VAL H 5.9e-4 . . 4.2e-5 70 ASN H . 1e-03 . . 71 SER H . 1e-03 . . 72 THR H . 1e-03 . . 73 VAL H 3.4e-4 . . 3.5e-5 75 ILE H . 1e-03 . . 76 LYS H . 1e-03 . . 78 ALA H . 1e-03 . . 79 ASP H . 1e-03 . . 80 LEU H . 1e-03 . . 81 VAL H . 1e-03 . . 83 TYR H . 1e-03 . . 84 SER H . 1e-03 . . 86 VAL H . 1e-03 . . 87 ILE H . 1e-03 . . 88 GLU H . 1e-03 . . 89 LYS H . 1e-03 . . 90 GLN H . 1e-03 . . 91 VAL H . 1e-03 . . 92 GLY H . 1e-03 . . 93 GLN H . 1e-03 . . 94 ALA H . 1e-03 . . 95 ILE H 1.4e-4 . . 1.2e-5 96 THR H 1.2e-4 . . 1.4e-5 97 LEU H 1.4e-4 . . 1.1e-5 98 ASP H 1.1e-5 . . 9.2e-7 99 ASP H 1.0e-4 . . 5.3e-6 100 ALA H 1.6e-5 . . 6.3e-7 101 CYS H 2.2e-5 . . 7.9e-7 102 PHE H 3.7e-5 . . 6.5e-7 104 THR H 1.8e-4 . . 1.7e-5 105 MET H 3.6e-4 . . 6.3e-5 106 THR H 6.4e-4 . . 1.6e-4 107 THR H 2.4e-4 . . 8.4e-5 108 SER H . 1e-03 . . 109 ASP H . 1e-03 . . 110 ASN H . 1e-03 . . 111 THR H . 1e-03 . . 112 ALA H . 1e-03 . . 113 ALA H . 1e-03 . . 114 ASN H . 1e-03 . . 115 ILE H . 1e-03 . . 116 ILE H 1.8e-5 . . 7.6e-7 117 LEU H 1.7e-5 . . 7.2e-7 118 SER H 1.2e-4 . . 4.6e-6 119 ALA H 6.6e-5 . . 1.5e-6 120 VAL H 1.7e-5 . . 5.4e-7 121 GLY H . 1e-03 . . 122 GLY H 4.7e-5 . . 1.6e-6 125 GLY H . 1e-03 . . 126 VAL H 3.4e-5 . . 8.6e-7 127 THR H 4.0e-5 . . 1.6e-6 128 ASP H 3.7e-5 . . 1.2e-6 129 PHE H 2.1e-5 . . 9.8e-7 130 LEU H 1.2e-5 . . 8.5e-7 131 ARG H 1.9e-5 . . 6.7e-7 132 GLN H 9.9e-5 . . 5.7e-6 133 ILE H 1.6e-5 . . 6.0e-7 134 GLY H . 1e-03 . . 135 ASP H 2.3e-4 . . 1.7e-5 136 LYS H . 1e-03 . . 138 THR H 9.1e-5 . . 3.7e-6 139 ARG H 8.4e-5 . . 5.2e-6 140 LEU H 6.5e-5 . . 3.7e-6 141 ASP H 2.2e-5 . . 3.4e-6 142 ARG H 4.4e-5 . . 4.8e-6 143 ILE H 5.3e-5 . . 2.9e-6 144 GLU H 1.8e-5 . . 1.7e-6 147 LEU H 7.0e-5 . . 4.3e-6 149 GLU H . 1e-03 . . 150 GLY H . 1e-03 . . 153 GLY H . 1e-03 . . 154 ASP H . 1e-03 . . 155 LEU H . 1e-03 . . 156 ARG H 6.7e-4 . . 3.9e-4 157 ASP H 5.9e-5 . . 6.3e-6 158 THR H 4.9e-5 . . 1.2e-6 159 THR H 6.3e-5 . . 3.9e-6 160 THR H 3.5e-5 . . 1.3e-6 164 ILE H 1.4e-5 . . 6.6e-7 165 ALA H 1.9e-5 . . 6.6e-7 166 SER H 6.0e-5 . . 2.8e-6 168 LEU H 1.4e-5 . . 6.5e-7 169 ASN H 2.0e-5 . . 7.3e-7 171 PHE H 1.0e-5 . . 4.4e-7 172 LEU H 7.9e-6 . . 4.2e-7 173 PHE H 1.4e-5 . . 5.1e-7 174 GLY H . 1e-03 . . 175 SER H . 1e-03 . . 176 ALA H . 1e-03 . . 177 LEU H 2.6e-4 . . 1.2e-5 178 SER H . 1e-03 . . 179 GLU H . 1e-03 . . 180 MET H . 1e-03 . . 181 ASN H . 1e-03 . . 184 LYS H 2.0e-4 . . 1.6e-5 185 LEU H 1.7e-5 . . 5.9e-7 186 GLU H 1.9e-5 . . 6.5e-7 187 SER H 7.4e-5 . . 2.3e-6 188 TRP H 1.9e-5 . . 7.3e-7 189 MET H 1.3e-5 . . 9.5e-7 190 VAL H 1.2e-5 . . 7.4e-7 192 ASN H . 1e-03 . . 193 GLN H . 1e-03 . . 194 VAL H . 1e-03 . . 195 THR H . 1e-03 . . 196 GLY H . 1e-03 . . 197 ASN H . 1e-03 . . 198 LEU H . 1e-03 . . 199 LEU H . 1e-03 . . 200 ARG H . 1e-03 . . 201 SER H . 1e-03 . . 202 VAL H 4.6e-4 . . 7.9e-5 203 LEU H 1.9e-4 . . 9.1e-6 205 ALA H . 1e-03 . . 206 GLY H . 1e-03 . . 207 TRP H 4.3e-5 . . 9.2e-6 208 ASN H 6.5e-5 . . 5.1e-6 209 ILE H 1.7e-4 . . 9.0e-6 210 ALA H 3.8e-5 . . 3.1e-6 211 ASP H 1.7e-4 . . 1.2e-5 213 SER H . 1e-03 . . 214 GLY H . 1e-03 . . 216 GLY H . 1e-03 . . 217 GLY H . 1e-03 . . 218 PHE H . 1e-03 . . 219 GLY H . 1e-03 . . 220 ALA H . 1e-03 . . 221 ARG H . 1e-03 . . 223 ILE H 2.9e-6 . . 1.1e-7 224 THR H 5.0e-5 . . 3.1e-6 225 ALA H 1.0e-6 . . 4.2e-8 226 VAL H 4.8e-7 . . 3.6e-8 227 VAL H 3.8e-7 . . 4.5e-8 229 SER H 4.8e-4 . . 3.4e-4 230 GLU H . 1e-03 . . 231 HIS H . 1e-03 . . 232 GLN H . 1e-03 . . 233 ALA H . 1e-03 . . 235 ILE H 2.6e-8 . . 6.0e-9 236 ILE H 2.6e-8 . . 5.1e-9 237 VAL H 6.6e-8 . . 2.1e-8 238 SER H 6.1e-8 . . 9.4e-9 239 ILE H 3.6e-8 . . 2.5e-8 240 TYR H 9.1e-8 . . 3.2e-8 241 LEU H 4.7e-6 . . 2.3e-7 242 ALA H 1.3e-5 . . 4.6e-7 243 GLN H . 1e-03 . . 244 THR H . 1e-03 . . 245 GLN H . 1e-03 . . 247 SER H . 1e-03 . . 248 MET H . 1e-03 . . 249 GLU H . 1e-03 . . 250 GLU H . 1e-03 . . 252 ASN H . 1e-03 . . 254 ALA H 1.3e-4 . . 2.9e-6 255 ILE H 1.2e-5 . . 3.1e-7 256 VAL H 1.1e-6 . . 6.6e-8 257 LYS H 2.8e-6 . . 7.3e-8 259 GLY H 3.0e-6 . . 6.8e-8 260 HIS H 4.5e-6 . . 1.3e-7 261 SER H 1.2e-5 . . 2.7e-7 262 ILE H 3.8e-6 . . 6.0e-7 264 ASP H 7.8e-6 . . 2.0e-7 265 VAL H 2.0e-4 . . 1.5e-5 266 TYR H 2.5e-4 . . 2.0e-5 267 THR H . 1e-03 . . 268 SER H . 1e-03 . . 269 GLN H . 1e-03 . . 270 SER H . 1e-03 . . 271 ARG H . 1e-03 . . stop_ save_ save_H_exch_rate_list_2 _Saveframe_category H_exchange_rates _Details . loop_ _Experiment_label $15N-TROSY-HSQC_12 stop_ loop_ _Sample_label $sample_6 $sample_6 stop_ _Sample_conditions_label $conditions_4 _H_exchange_rate_units s-1 _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _H_exchange_rate_value _H_exchange_rate_min_value _H_exchange_rate_max_value _H_exchange_rate_value_error 5 PHE H . 1e-03 . . 6 GLN H . 1e-03 . . 8 VAL H . 1e-03 . . 9 GLU H 1.8e-4 . . 3.0e-5 11 ASP H 5.9e-4 . . 9.3e-5 12 VAL H 1.1e-5 . . 4.8e-7 13 LYS H 2.3e-5 . . 7.8e-7 14 ALA H 5.1e-4 . . 2.2e-4 15 ILE H 3.5e-5 . . 1.7e-6 18 SER H . 1e-03 . . 20 SER H . 1e-03 . . 22 ARG H 4.8e-4 . . 1.3e-4 23 ILE H 2.9e-4 . . 3.8e-5 25 VAL H 7.7e-6 . . 7.0e-7 26 SER H 7.1e-6 . . 5.0e-7 27 VAL H 6.8e-6 . . 5.7e-7 28 LEU H 6.6e-6 . . 6.8e-7 31 GLN H . 1e-03 . . 32 ASN H . 1e-03 . . 33 GLY H . 1e-03 . . 34 GLU H . 1e-03 . . 35 TYR H . 1e-03 . . 36 TRP H 6.1e-4 . . 2.8e-4 37 ASP H . 1e-03 . . 38 TYR H 8.6e-6 . . 7.6e-7 39 ASN H . 1e-03 . . 40 GLY H . 1e-03 . . 41 ASN H . 1e-03 . . 42 GLN H . 1e-03 . . 43 ARG H . 1e-03 . . 44 PHE H 3.3e-4 . . 1.4e-4 46 LEU H . 1e-03 . . 47 THR H . 1e-03 . . 49 THR H . 1e-03 . . 51 LYS H . 1e-03 . . 52 THR H . 1e-03 . . 53 ILE H 2.9e-4 . . 7.5e-5 54 ALA H 1.2e-4 . . 9.2e-6 55 CYS H 1.3e-4 . . 3.4e-5 56 ALA H 1.3e-4 . . 2.0e-5 57 LYS H 9.1e-5 . . 6.9e-6 59 LEU H 4.4e-5 . . 4.3e-6 60 TYR H 6.3e-5 . . 6.1e-6 61 ASP H 1.2e-4 . . 4.7e-5 62 ALA H 1.8e-4 . . 3.1e-5 63 GLU H . 1e-03 . . 65 GLY H . 1e-03 . . 66 LYS H . 1e-03 . . 70 ASN H . 1e-03 . . 71 SER H . 1e-03 . . 72 THR H . 1e-03 . . 73 VAL H . 1e-03 . . 75 ILE H . 1e-03 . . 76 LYS H . 1e-03 . . 78 ALA H . 1e-03 . . 79 ASP H . 1e-03 . . 80 LEU H . 1e-03 . . 83 TYR H . 1e-03 . . 84 SER H . 1e-03 . . 86 VAL H . 1e-03 . . 87 ILE H . 1e-03 . . 88 GLU H . 1e-03 . . 89 LYS H . 1e-03 . . 90 GLN H . 1e-03 . . 91 VAL H . 1e-03 . . 92 GLY H . 1e-03 . . 93 GLN H . 1e-03 . . 94 ALA H . 1e-03 . . 95 ILE H . 1e-03 . . 96 THR H . 1e-03 . . 97 LEU H . 1e-03 . . 99 ASP H 3.7e-4 . . 1.4e-4 100 ALA H 2.1e-4 . . 3.4e-5 101 CYS H 3.7e-4 . . 7.9e-5 102 PHE H 2.1e-4 . . 5.4e-5 104 THR H . 1e-03 . . 105 MET H . 1e-03 . . 106 THR H . 1e-03 . . 107 THR H . 1e-03 . . 108 SER H . 1e-03 . . 109 ASP H . 1e-03 . . 110 ASN H . 1e-03 . . 111 THR H . 1e-03 . . 112 ALA H . 1e-03 . . 113 ALA H . 1e-03 . . 115 ILE H . 1e-03 . . 116 ILE H 2.0e-4 . . 8.0e-5 117 LEU H 1.9e-4 1e-03 . 2.4e-5 118 SER H . 1e-03 . . 120 VAL H 2.2e-4 . . 3.1e-5 121 GLY H . 1e-03 . . 122 GLY H 3.6e-4 . . 2.1e-4 125 GLY H . 1e-03 . . 126 VAL H 2.9e-4 . . 6.1e-5 127 THR H 2.6e-4 . . 5.3e-5 128 ASP H 2.8e-4 . . 1.2e-4 129 PHE H 1.9e-4 . . 5.2e-5 130 LEU H 7.4e-5 . . 3.0e-5 131 ARG H . 1e-03 . . 132 GLN H . 1e-03 . . 133 ILE H 2.6e-4 . . 7.9e-5 134 GLY H . 1e-03 . . 135 ASP H . 1e-03 . . 136 LYS H . 1e-03 . . 138 THR H 8.4e-4 . . 3.9e-4 139 ARG H . 1e-03 . . 140 LEU H . 1e-03 . . 141 ASP H . 1e-03 . . 142 ARG H . 1e-03 . . 143 ILE H . 1e-03 . . 144 GLU H . 1e-03 . . 147 LEU H . 1e-03 . . 149 GLU H . 1e-03 . . 150 GLY H . 1e-03 . . 154 ASP H . 1e-03 . . 156 ARG H . 1e-03 . . 158 THR H . 1e-03 . . 159 THR H 2.4e-4 . . 1.2e-4 160 THR H 3.3e-4 . . 7.8e-5 164 ILE H 1.9e-4 . . 2.1e-5 165 ALA H 2.0e-4 . . 3.1e-5 166 SER H . 1e-03 . . 168 LEU H 1.4e-4 . . 4.0e-5 169 ASN H 1.6e-4 . . 4.8e-5 170 LYS H 2.8e-4 . . 5.7e-5 171 PHE H 1.0e-4 . . 1.2e-5 173 PHE H 1.0e-4 . . 4.2e-5 174 GLY H . 1e-03 . . 176 ALA H . 1e-03 . . 177 LEU H . 1e-03 . . 178 SER H . 1e-03 . . 179 GLU H . 1e-03 . . 180 MET H . 1e-03 . . 181 ASN H . 1e-03 . . 184 LYS H . 1e-03 . . 185 LEU H 1.7e-4 . . 4.2e-5 187 SER H 5.1e-4 . . 7.5e-5 188 TRP H 2.9e-4 . . 4.2e-5 190 VAL H 1.3e-4 . . 5.0e-5 192 ASN H . 1e-03 . . 193 GLN H . 1e-03 . . 194 VAL H . 1e-03 . . 195 THR H . 1e-03 . . 198 LEU H . 1e-03 . . 199 LEU H . 1e-03 . . 200 ARG H . 1e-03 . . 201 SER H . 1e-03 . . 202 VAL H . 1e-03 . . 203 LEU H . 1e-03 . . 205 ALA H . 1e-03 . . 207 TRP H . 1e-03 . . 208 ASN H 9.8e-4 . . 3.0e-4 210 ALA H 5.6e-4 . . 2.0e-4 211 ASP H . 1e-03 . . 212 ARG H . 1e-03 . . 214 GLY H . 1e-03 . . 216 GLY H . 1e-03 . . 217 GLY H . 1e-03 . . 218 PHE H . 1e-03 . . 219 GLY H . 1e-03 . . 220 ALA H . 1e-03 . . 221 ARG H . 1e-03 . . 223 ILE H 1.5e-5 . . 1.5e-6 225 ALA H 6.4e-6 . . 4.5e-7 226 VAL H 3.9e-6 . . 4.1e-7 227 VAL H 3.8e-6 . . 5.1e-7 229 SER H . 1e-03 . . 232 GLN H . 1e-03 . . 233 ALA H . 1e-03 . . 235 ILE H 9.4e-7 . . 4.9e-7 236 ILE H 5.6e-7 . . 1.3e-7 237 VAL H 5.6e-7 . . 1.4e-7 238 SER H 2.7e-6 . . 6.4e-7 239 ILE H 1.2e-6 . . 2.7e-7 240 TYR H 1.6e-6 . . 4.6e-7 242 ALA H 1.4e-4 . . 2.5e-5 243 GLN H . 1e-03 . . 244 THR H . 1e-03 . . 249 GLU H . 1e-03 . . 250 GLU H . 1e-03 . . 252 ASN H . 1e-03 . . 254 ALA H . 1e-03 . . 255 ILE H 2.5e-4 . . 4.7e-5 256 VAL H 1.3e-5 . . 6.0e-7 259 GLY H 1.1e-5 . . 8.3e-7 261 SER H 7.3e-5 . . 2.7e-5 262 ILE H 8.4e-6 . . 6.6e-7 265 VAL H . 1e-03 . . 266 TYR H . 1e-03 . . 267 THR H . 1e-03 . . 268 SER H . 1e-03 . . 269 GLN H . 1e-03 . . 270 SER H . 1e-03 . . 271 ARG H . 1e-03 . . stop_ save_ save_H_exch_protection_factor_list_1 _Saveframe_category H_exchange_protection_factors _Details . _Sample_label $conditions_3 _Sample_conditions_label $conditions_3 _Standard_values_source_citation_label . _Mol_system_component_name 'PSE-4 mature enzyme' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _H_exchange_protection_factor_value _H_exchange_protection_factor_value_error 2 SER H . . 3 SER H . . 4 LYS H . . 5 PHE H . . 6 GLN H . . 7 GLN H . . 8 VAL H . . 9 GLU H 7.38e+5 . 10 GLN H . . 11 ASP H 1.93e+5 . 12 VAL H 4.23e+6 . 13 LYS H 2.40e+5 . 14 ALA H 2.80e+4 . 15 ILE H 1.49e+5 . 16 GLU H . . 17 VAL H 1.56e+5 . 18 SER H . . 19 LEU H . . 20 SER H . . 21 ALA H 3.61e+4 . 22 ARG H 8.38e+4 . 23 ILE H 4.32e+4 . 24 GLY H 1.42e+6 . 25 VAL H 4.16e+6 . 26 SER H 4.44e+6 . 27 VAL H 2.85e+6 . 28 LEU H 9.87e+5 . 29 ASP H 1.89e+5 . 30 THR H . . 31 GLN H . . 32 ASN H . . 33 GLY H . . 34 GLU H . . 35 TYR H . . 36 TRP H 2.54e+4 . 37 ASP H 3.64e+3 . 38 TYR H 2.14e+6 . 39 ASN H . . 40 GLY H 4.87e+3 . 41 ASN H . . 42 GLN H 2.40e+4 . 43 ARG H . . 44 PHE H 2.73e+5 . 46 LEU H 1.83e+4 . 47 THR H . . 48 SER H . . 49 THR H . . 50 PHE H . . 51 LYS H 1.99e+3 . 52 THR H 1.12e+3 . 53 ILE H 3.18e+4 . 54 ALA H 1.48e+5 . 55 CYS H 6.37e+5 . 56 ALA H 6.35e+5 . 57 LYS H 4.35e+4 . 58 LEU H . . 59 LEU H 6.63e+4 . 60 TYR H 1.08e+5 . 61 ASP H 7.14e+5 . 62 ALA H 5.11e+5 . 63 GLU H 1.21e+5 . 64 GLN H . . 65 GLY H . . 66 LYS H . . 67 VAL H 1.95e+3 . 68 ASN H . . 70 ASN H . . 71 SER H . . 72 THR H . . 73 VAL H 9.18e+3 . 74 GLU H . . 75 ILE H . . 76 LYS H . . 77 LYS H . . 78 ALA H . . 79 ASP H . . 80 LEU H . . 81 VAL H . . 82 THR H . . 83 TYR H . . 84 SER H . . 86 VAL H . . 87 ILE H . . 88 GLU H . . 89 LYS H . . 90 GLN H . . 91 VAL H . . 92 GLY H . . 93 GLN H . . 94 ALA H . . 95 ILE H 3.06e+3 . 96 THR H 9.36e+3 . 97 LEU H 6.63e+3 . 98 ASP H 4.49e+5 . 99 ASP H 2.29e+5 . 100 ALA H 4.12e+5 . 101 CYS H 3.66e+5 . 102 PHE H 3.10e+5 . 103 ALA H . . 104 THR H 1.10e+4 . 105 MET H 1.01e+4 . 106 THR H 3.03e+3 . 107 THR H 1.27e+4 . 108 SER H . . 109 ASP H . . 110 ASN H . . 111 THR H . . 112 ALA H . . 113 ALA H . . 114 ASN H . . 115 ILE H . . 116 ILE H 1.36e+4 . 117 LEU H 2.12e+4 . 118 SER H 2.78e+4 . 119 ALA H 6.86e+4 . 120 VAL H 1.16e+5 . 121 GLY H . . 122 GLY H 2.06e+5 . 124 LYS H . . 125 GLY H . . 126 VAL H 1.40e+5 . 127 THR H 7.73e+4 . 128 ASP H 3.49e+5 . 129 PHE H 5.35e+5 . 130 LEU H 1.29e+5 . 131 ARG H 8.98e+4 . 132 GLN H 3.80e+4 . 133 ILE H 2.66e+4 . 134 GLY H . . 135 ASP H 8.79e+4 . 136 LYS H . . 137 GLU H . . 138 THR H 6.21e+4 . 139 ARG H 5.11e+4 . 140 LEU H 1.54e+4 . 141 ASP H 2.29e+5 . 142 ARG H 1.79e+5 . 143 ILE H 1.33e+4 . 144 GLU H 2.69e+5 . 146 ASP H . . 147 LEU H 2.48e+4 . 148 ASN H . . 149 GLU H . . 150 GLY H . . 151 LYS H . . 152 LEU H . . 153 GLY H . . 154 ASP H . . 155 LEU H . . 156 ARG H 2.51e+3 . 157 ASP H 2.27e+5 . 158 THR H 1.15e+5 . 159 THR H 4.93e+4 . 160 THR H 8.74e+4 . 162 LYS H . . 163 ALA H . . 164 ILE H 2.93e+4 . 165 ALA H 7.01e+4 . 166 SER H 8.91e+4 . 167 THR H . . 168 LEU H 6.86e+4 . 169 ASN H 6.95e+4 . 170 LYS H . . 171 PHE H 2.25e+5 . 172 LEU H 1.89e+5 . 173 PHE H 1.78e+5 . 174 GLY H . . 175 SER H . . 176 ALA H . . 177 LEU H 2.30e+3 . 178 SER H . . 179 GLU H . . 180 MET H . . 181 ASN H . . 182 GLN H . . 183 LYS H . . 184 LYS H 1.23e+3 . 185 LEU H 2.11e+4 . 186 GLU H 2.58e+5 . 187 SER H 2.07e+5 . 188 TRP H 9.40e+4 . 189 MET H 1.35e+5 . 190 VAL H 1.57e+5 . 191 ASN H . . 192 ASN H . . 193 GLN H . . 194 VAL H . . 195 THR H . . 196 GLY H . . 197 ASN H . . 198 LEU H . . 199 LEU H . . 200 ARG H . . 201 SER H . . 202 VAL H 8.41e+3 . 203 LEU H 5.02e+3 . 205 ALA H . . 206 GLY H . . 207 TRP H 5.10e+4 . 208 ASN H 2.73e+4 . 209 ILE H 2.57e+3 . 210 ALA H 3.49e+4 . 211 ASP H 4.78e+4 . 212 ARG H . . 213 SER H . . 214 GLY H . . 215 ALA H . . 216 GLY H . . 217 GLY H . . 218 PHE H . . 219 GLY H . . 220 ALA H . . 221 ARG H . . 222 SER H . . 223 ILE H 2.94e+5 . 224 THR H 2.31e+4 . 225 ALA H 3.57e+6 . 226 VAL H 4.05e+6 . 227 VAL H 8.17e+6 . 228 TRP H . . 229 SER H 8.66e+3 . 230 GLU H . . 231 HIS H . . 232 GLN H . . 233 ALA H . . 235 ILE H 1.63e+7 . 236 ILE H 9.61e+6 . 237 VAL H 1.75e+7 . 238 SER H 1.38e+8 . 239 ILE H 2.36e+7 . 240 TYR H 7.88e+6 . 241 LEU H 1.43e+5 . 242 ALA H 1.07e+5 . 243 GLN H . . 244 THR H . . 245 GLN H . . 246 ALA H . . 247 SER H . . 248 MET H . . 249 GLU H . . 250 GLU H . . 251 ARG H . . 252 ASN H . . 253 ASP H . . 254 ALA H 5.02e+4 . 255 ILE H 3.55e+4 . 256 VAL H 1.03e+6 . 257 LYS H 2.38e+5 . 258 ILE H . . 259 GLY H 7.80e+5 . 260 HIS H 5.39e+6 . 261 SER H 2.14e+6 . 262 ILE H 2.23e+5 . 263 PHE H . . 264 ASP H 2.56e+6 . 265 VAL H 2.80e+4 . 266 TYR H 7.76e+3 . 267 THR H . . 268 SER H . . 269 GLN H . . 270 SER H . . 271 ARG H . . stop_ save_