data_16584 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2J coupling constants in DFPase from Loligo vulgaris ; _BMRB_accession_number 16584 _BMRB_flat_file_name bmr16584.str _Entry_type original _Submission_date 2009-10-25 _Accession_date 2009-10-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schmidt Jurgen M. . 2 Lohr Frank . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 4 stop_ loop_ _Data_type _Data_type_count "coupling constants" 796 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'complete entry citation' 2010-02-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15909 '1J coupling constants related to the Ca carbons in DFPase' 16579 '2J coupling constants in oxidised Flavodxin' 16580 '2J coupling constants in Ribonuclease T1' 16581 '2J coupling constants in Frataxin C-terminal domain' 16582 '2J coupling constants in Ubiquitin' 16583 '2J coupling constants in Xylanase' 5618 'Backbone 1H, 13C, 15N and Side Chain 13C Chemical Shift Assignments for DFPase from Loligo vulgaris' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Correlation of (2)J couplings with protein secondary structure.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20131375 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schmidt Jurgen M. . 2 Hua Yixun . . 3 Lohr Frank . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 78 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1544 _Page_last 1562 _Year 2010 _Details . loop_ _Keyword 'data mining' statistics 'torsion angles' 'two-bond coupling' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Permi_&_Annila_2000 _Saveframe_category citation _Citation_full . _Citation_title 'Transverse relaxation optimised spin-state selective NMR experiments for measurement of residual dipolar couplings' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10805128 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Permi P. . . 2 Annila A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 16 _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 221 _Page_last 227 _Year 2000 _Details . loop_ _Keyword '2JCAN_ measurement' '2JCOHN measurement' '2JHNCA measurement' 'IPAP method' stop_ save_ save_Permi_2003 _Saveframe_category citation _Citation_full . _Citation_title 'Measurement of residual dipolar couplings from 1Halpha to 13Calpha and 15N using a simple HNCA-based experiment' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14512731 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Permi P. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 27 _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 341 _Page_last 349 _Year 2003 _Details . loop_ _Keyword '2JN_HA measurement' stop_ save_ save_Wienk_et_al_2003 _Saveframe_category citation _Citation_full . _Citation_title 'Simultaneous measurement of protein one-bond and two-bond nitrogen-carbon coupling constants using an internally referenced quantitative J-correlated [15N,1H]-TROSY-HNC experiment' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12652122 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wienk H. L.J. . 2 Martinez M. M. . 3 Yalloway G. N. . 4 Schmidt J. M. . 5 Perez C. . . 6 Ruterjans H. . . 7 Lohr F. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 25 _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 133 _Page_last 145 _Year 2003 _Details . loop_ _Keyword '2JCAN_ measurement' 'quantitative J correlation' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Diisopropylfluorophosphatase _Enzyme_commission_number 3.1.8.2 loop_ _Mol_system_component_name _Mol_label protein $DFPase 'ion, 1' $CA 'ion, 2' $CA stop_ _System_molecular_weight 35161.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function hydrolase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DFPase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DFPase _Molecular_mass 35081.3 _Mol_thiol_state 'all free' loop_ _Biological_function hydrolase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 316 _Mol_residue_sequence ; GSMEIPVIEPLFTKVTEDIP GAEGPVFDKNGDFYIVAPEV EVNGKPAGEILRIDLKTGKK TVICKPEVNGYGGIPAGCQC DRDANQLFVADMRLGLLVVQ TDGTFEEIAKKDSEGRRMQG CNDCAFDYEGNLWITAPAGE VAPADYTRSMQEKFGSIYCF TTDGQMIQVDTAFQFPNGIA VRHMNDGRPYQLIVAETPTK KLWSYDIKGPAKIENKKVWG HIPGTHEGGADGMDFDEDNN LLVANWGSSHIEVFGPDGGQ PKMRIRCPFEKPSNLHFKPQ TKTIFVTEHENNAVWKFEWQ RNGKKQYCETLKFGIF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 MET 4 2 GLU 5 3 ILE 6 4 PRO 7 5 VAL 8 6 ILE 9 7 GLU 10 8 PRO 11 9 LEU 12 10 PHE 13 11 THR 14 12 LYS 15 13 VAL 16 14 THR 17 15 GLU 18 16 ASP 19 17 ILE 20 18 PRO 21 19 GLY 22 20 ALA 23 21 GLU 24 22 GLY 25 23 PRO 26 24 VAL 27 25 PHE 28 26 ASP 29 27 LYS 30 28 ASN 31 29 GLY 32 30 ASP 33 31 PHE 34 32 TYR 35 33 ILE 36 34 VAL 37 35 ALA 38 36 PRO 39 37 GLU 40 38 VAL 41 39 GLU 42 40 VAL 43 41 ASN 44 42 GLY 45 43 LYS 46 44 PRO 47 45 ALA 48 46 GLY 49 47 GLU 50 48 ILE 51 49 LEU 52 50 ARG 53 51 ILE 54 52 ASP 55 53 LEU 56 54 LYS 57 55 THR 58 56 GLY 59 57 LYS 60 58 LYS 61 59 THR 62 60 VAL 63 61 ILE 64 62 CYS 65 63 LYS 66 64 PRO 67 65 GLU 68 66 VAL 69 67 ASN 70 68 GLY 71 69 TYR 72 70 GLY 73 71 GLY 74 72 ILE 75 73 PRO 76 74 ALA 77 75 GLY 78 76 CYS 79 77 GLN 80 78 CYS 81 79 ASP 82 80 ARG 83 81 ASP 84 82 ALA 85 83 ASN 86 84 GLN 87 85 LEU 88 86 PHE 89 87 VAL 90 88 ALA 91 89 ASP 92 90 MET 93 91 ARG 94 92 LEU 95 93 GLY 96 94 LEU 97 95 LEU 98 96 VAL 99 97 VAL 100 98 GLN 101 99 THR 102 100 ASP 103 101 GLY 104 102 THR 105 103 PHE 106 104 GLU 107 105 GLU 108 106 ILE 109 107 ALA 110 108 LYS 111 109 LYS 112 110 ASP 113 111 SER 114 112 GLU 115 113 GLY 116 114 ARG 117 115 ARG 118 116 MET 119 117 GLN 120 118 GLY 121 119 CYS 122 120 ASN 123 121 ASP 124 122 CYS 125 123 ALA 126 124 PHE 127 125 ASP 128 126 TYR 129 127 GLU 130 128 GLY 131 129 ASN 132 130 LEU 133 131 TRP 134 132 ILE 135 133 THR 136 134 ALA 137 135 PRO 138 136 ALA 139 137 GLY 140 138 GLU 141 139 VAL 142 140 ALA 143 141 PRO 144 142 ALA 145 143 ASP 146 144 TYR 147 145 THR 148 146 ARG 149 147 SER 150 148 MET 151 149 GLN 152 150 GLU 153 151 LYS 154 152 PHE 155 153 GLY 156 154 SER 157 155 ILE 158 156 TYR 159 157 CYS 160 158 PHE 161 159 THR 162 160 THR 163 161 ASP 164 162 GLY 165 163 GLN 166 164 MET 167 165 ILE 168 166 GLN 169 167 VAL 170 168 ASP 171 169 THR 172 170 ALA 173 171 PHE 174 172 GLN 175 173 PHE 176 174 PRO 177 175 ASN 178 176 GLY 179 177 ILE 180 178 ALA 181 179 VAL 182 180 ARG 183 181 HIS 184 182 MET 185 183 ASN 186 184 ASP 187 185 GLY 188 186 ARG 189 187 PRO 190 188 TYR 191 189 GLN 192 190 LEU 193 191 ILE 194 192 VAL 195 193 ALA 196 194 GLU 197 195 THR 198 196 PRO 199 197 THR 200 198 LYS 201 199 LYS 202 200 LEU 203 201 TRP 204 202 SER 205 203 TYR 206 204 ASP 207 205 ILE 208 206 LYS 209 207 GLY 210 208 PRO 211 209 ALA 212 210 LYS 213 211 ILE 214 212 GLU 215 213 ASN 216 214 LYS 217 215 LYS 218 216 VAL 219 217 TRP 220 218 GLY 221 219 HIS 222 220 ILE 223 221 PRO 224 222 GLY 225 223 THR 226 224 HIS 227 225 GLU 228 226 GLY 229 227 GLY 230 228 ALA 231 229 ASP 232 230 GLY 233 231 MET 234 232 ASP 235 233 PHE 236 234 ASP 237 235 GLU 238 236 ASP 239 237 ASN 240 238 ASN 241 239 LEU 242 240 LEU 243 241 VAL 244 242 ALA 245 243 ASN 246 244 TRP 247 245 GLY 248 246 SER 249 247 SER 250 248 HIS 251 249 ILE 252 250 GLU 253 251 VAL 254 252 PHE 255 253 GLY 256 254 PRO 257 255 ASP 258 256 GLY 259 257 GLY 260 258 GLN 261 259 PRO 262 260 LYS 263 261 MET 264 262 ARG 265 263 ILE 266 264 ARG 267 265 CYS 268 266 PRO 269 267 PHE 270 268 GLU 271 269 LYS 272 270 PRO 273 271 SER 274 272 ASN 275 273 LEU 276 274 HIS 277 275 PHE 278 276 LYS 279 277 PRO 280 278 GLN 281 279 THR 282 280 LYS 283 281 THR 284 282 ILE 285 283 PHE 286 284 VAL 287 285 THR 288 286 GLU 289 287 HIS 290 288 GLU 291 289 ASN 292 290 ASN 293 291 ALA 294 292 VAL 295 293 TRP 296 294 LYS 297 295 PHE 298 296 GLU 299 297 TRP 300 298 GLN 301 299 ARG 302 300 ASN 303 301 GLY 304 302 LYS 305 303 LYS 306 304 GLN 307 305 TYR 308 306 CYS 309 307 GLU 310 308 THR 311 309 LEU 312 310 LYS 313 311 PHE 314 312 GLY 315 313 ILE 316 314 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 BMRB 15909 DFPase 100.00 316 100.00 100.00 0.00e+00 PDB 1E1A "Crystal Structure Of Dfpase From Loligo Vulgaris" 99.37 314 100.00 100.00 0.00e+00 PDB 1PJX "0.85 Angstrom Structure Of Squid Ganglion Dfpase" 99.37 314 100.00 100.00 0.00e+00 PDB 2GVU "Crystal Structure Of Diisopropyl Fluorophosphatase (Dfpase), Mutant D229n N120D" 99.37 314 99.36 100.00 0.00e+00 PDB 2GVV "Structure Of Diisopropyl Fluorophosphatase (Dfpase) In Complex With Dicyclopentylphosphoroamidate (Dcppa)" 99.37 314 100.00 100.00 0.00e+00 PDB 2GVW "Structure Of Diisopropyl Fluorophosphatase (Dfpase) Holoenzyme (Rt)" 99.37 314 100.00 100.00 0.00e+00 PDB 2GVX "Structure Of Diisopropyl Fluorophosphatase (Dfpase), Mutant D229n N175D" 99.37 314 99.36 100.00 0.00e+00 PDB 2IAO "Crystal Structure Of Squid Ganglion Dfpase E37q Mutant" 98.73 312 99.68 100.00 0.00e+00 PDB 2IAP "Crystal Structure Of Squid Ganglion Dfpase E21q Mutant" 98.73 312 99.68 100.00 0.00e+00 PDB 2IAQ "Crystal Structure Of Squid Ganglion Dfpase S271a Mutant" 98.73 312 99.68 100.00 0.00e+00 PDB 2IAR "Crystal Structure Of Squid Ganglion Dfpase W244h Mutant" 98.73 312 99.68 99.68 0.00e+00 PDB 2IAS "Crystal Structure Of Squid Ganglion Dfpase W244f Mutant" 98.73 312 99.68 100.00 0.00e+00 PDB 2IAT "Crystal Structure Of Squid Ganglion Dfpase W244l Mutant" 98.73 312 99.68 99.68 0.00e+00 PDB 2IAU "Crystal Structure Of Squid Ganglion Dfpase W244y Mutant" 98.73 312 99.68 100.00 0.00e+00 PDB 2IAV "Crystal Structure Of Squid Ganglion Dfpase H287a Mutant" 98.73 312 99.68 99.68 0.00e+00 PDB 2IAW "Crystal Structure Of Squid Ganglion Dfpase N175d Mutant" 98.73 312 99.68 100.00 0.00e+00 PDB 2IAX "Crystal Structure Of Squid Ganglion Dfpase D232s Mutant" 98.73 312 99.68 99.68 0.00e+00 PDB 3BYC "Joint Neutron And X-Ray Structure Of Diisopropyl Fluorophosphatase. Deuterium Occupancies Are 1-Q, Where Q Is Occupancy Of H" 99.37 314 100.00 100.00 0.00e+00 PDB 3HLH "Diisopropyl Fluorophosphatase (Dfpase), Active Site Mutants" 99.37 314 98.73 98.73 0.00e+00 PDB 3HLI "Diisopropyl Fluorophosphatase (Dfpase), Active Site Mutants" 99.37 314 98.73 99.04 0.00e+00 PDB 3KGG "X-Ray Structure Of Perdeuterated Diisopropyl Fluorophosphata (Dfpase): Perdeuteration Of Proteins For Neutron Diffractio" 99.37 314 100.00 100.00 0.00e+00 PDB 3LI3 "Diisopropyl Fluorophosphatase (Dfpase), D121e Mutant" 99.37 314 99.68 100.00 0.00e+00 PDB 3LI4 "Diisopropyl Fluorophosphatase (Dfpase), N120d,N175d,D229n Mutant" 99.37 314 99.04 100.00 0.00e+00 PDB 3LI5 "Diisopropyl Fluorophosphatase (Dfpase), E21q,N120d,N175d,D229n Mutant" 99.37 314 98.73 100.00 0.00e+00 PDB 3O4P "Dfpase At 0.85 Angstrom Resolution (h Atoms Included)" 99.37 314 100.00 100.00 0.00e+00 SP Q7SIG4 "RecName: Full=Diisopropyl-fluorophosphatase; Short=DFPase" 99.37 314 100.00 100.00 0.00e+00 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DFPase 'Loligo vulgaris' 6622 Eukaryota Fungi Loligo vulgaris 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 $DFPase 'recombinant technology' . Escherichia coli BL21(DE3) pKKHisND stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DFPase 1.6 mM '[U-95% 13C; U-95% 15N]' $CA 5 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'Pefabloc protease inhibitor' 50 ug/ml 'natural abundance' D2O 5 % [U-2H] H2O 95 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DFPase 0.75 mM '[U-95% 13C; U-95% 15N; 90% 2H]' $CA 5 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'Pefabloc protease inhibitor' 50 ug/ml 'natural abundance' D2O 5 % [U-2H] H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_jeval _Saveframe_category software _Name jeval _Version . loop_ _Vendor _Address _Electronic_address 'JM Schmidt' 'Dept. of Biosciences, University of Kent, Canterbury, Kent CT2 7NJ, United Kingdom' j.m.schmidt@kent.ac.uk stop_ loop_ _Task 'coupling constant extraction' 'data analysis' 'multiplet simulation' stop_ _Details 'Matlab-based suite of utilities for the display, selection, and simulation of 2D multiplet projections from multi-dimensional NMR spectra' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details '1H{13C,15N}-triple-resonance three-axis PFG probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details '1H{13C,15N}-triple-resonance three-axis PFG probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'room-temperature and cryogenic triple-resonance z-gradient probes' save_ ############################# # NMR applied experiments # ############################# save_3D_Ca-coupled_[15N,1H]-TROSY-HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ca-coupled [15N,1H]-TROSY-HNCO' _Sample_label $sample_2 save_ save_2D_IPAP-type_HN(CO-a/b-NCa-J)-TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' _Sample_label $sample_2 save_ save_2D_IPAP-type_HN(a/b-NCO-J)-TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-type HN(a/b-NCO-J)-TROSY' _Sample_label $sample_2 save_ save_3D_Ha-coupled_[15N,1H]-TROSY-iHNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled [15N,1H]-TROSY-iHNCA' _Sample_label $sample_1 save_ save_3D_quantitative_J-correlated_[15N,1H]-TROSY-HNC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D quantitative J-correlated [15N,1H]-TROSY-HNC' _Sample_label $sample_2 save_ save_3D_Ca-coupled_(15N_1H)-TROSY-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ca-coupled [15N,1H]-TROSY-HNCO' _BMRB_pulse_sequence_accession_number . _Details '2JCAN_ measurement' save_ save_2D_IPAP-type_HN(CO-a_b-NCa-J)-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' _BMRB_pulse_sequence_accession_number . _Details ; Permi and Annila, 2000; 2JCAN_ and 2JHNCA measurement; 250-ms 15N evolution ; save_ save_2D_IPAP-type_HN(a_b-NCO-J)-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-type HN(a/b-NCO-J)-TROSY' _BMRB_pulse_sequence_accession_number . _Details ; Permi and Annila, 2000; 2JCOHN measurement; 250-ms 15N evolution ; save_ save_3D_Ha-coupled_(15N_1H)-TROSY-iHNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled [15N,1H]-TROSY-iHNCA' _BMRB_pulse_sequence_accession_number . _Details ; Permi, 2003; 2JN_HA measurement; 14-ms variable-time 13Ca evolution, 50-ms 15N evolution ; save_ save_3D_quantitative_J-correlated_(15N_1H)-TROSY-HNC _Saveframe_category NMR_applied_experiment _Experiment_name '3D quantitative J-correlated [15N,1H]-TROSY-HNC' _BMRB_pulse_sequence_accession_number . _Details ; Wienk et al., 2003; 2JCAN_ measurement ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 301 . K stop_ save_ ######################## # Coupling constants # ######################## save_2JCaN_ _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ca-coupled [15N,1H]-TROSY-HNCO' '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' '3D quantitative J-correlated [15N,1H]-TROSY-HNC' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JCAN_ 3 MET CA 4 GLU N -7.49 . . 0.50 2 2JCAN_ 4 GLU CA 5 ILE N -7.93 . . 0.50 3 2JCAN_ 6 PRO CA 7 VAL N -9.80 . . 0.50 4 2JCAN_ 7 VAL CA 8 ILE N -7.90 . . 0.50 5 2JCAN_ 8 ILE CA 9 GLU N -8.99 . . 0.50 6 2JCAN_ 10 PRO CA 11 LEU N -9.23 . . 0.50 7 2JCAN_ 11 LEU CA 12 PHE N -8.25 . . 0.50 8 2JCAN_ 12 PHE CA 13 THR N -9.40 . . 0.50 9 2JCAN_ 13 THR CA 14 LYS N -7.93 . . 0.50 10 2JCAN_ 14 LYS CA 15 VAL N -8.84 . . 0.50 11 2JCAN_ 15 VAL CA 16 THR N -6.49 . . 0.50 12 2JCAN_ 16 THR CA 17 GLU N -7.42 . . 0.50 13 2JCAN_ 17 GLU CA 18 ASP N -9.13 . . 0.50 14 2JCAN_ 18 ASP CA 19 ILE N -7.43 . . 0.50 15 2JCAN_ 20 PRO CA 21 GLY N -9.10 . . 0.50 16 2JCAN_ 21 GLY CA 22 ALA N -7.33 . . 0.50 17 2JCAN_ 23 GLU CA 24 GLY N -8.78 . . 0.50 18 2JCAN_ 26 VAL CA 27 PHE N -6.45 . . 0.50 19 2JCAN_ 28 ASP CA 29 LYS N -8.53 . . 0.50 20 2JCAN_ 29 LYS CA 30 ASN N -6.17 . . 0.50 21 2JCAN_ 30 ASN CA 31 GLY N -6.61 . . 0.50 22 2JCAN_ 31 GLY CA 32 ASP N -6.39 . . 0.50 23 2JCAN_ 32 ASP CA 33 PHE N -9.53 . . 0.50 24 2JCAN_ 39 GLU CA 40 VAL N -5.23 . . 0.50 25 2JCAN_ 40 VAL CA 41 GLU N -8.24 . . 0.50 26 2JCAN_ 41 GLU CA 42 VAL N -8.84 . . 0.50 27 2JCAN_ 43 ASN CA 44 GLY N -7.25 . . 0.50 28 2JCAN_ 44 GLY CA 45 LYS N -6.65 . . 0.50 29 2JCAN_ 46 PRO CA 47 ALA N -9.34 . . 0.50 30 2JCAN_ 47 ALA CA 48 GLY N -7.00 . . 0.50 31 2JCAN_ 48 GLY CA 49 GLU N -11.34 . . 0.50 32 2JCAN_ 52 ARG CA 53 ILE N -8.46 . . 0.50 33 2JCAN_ 53 ILE CA 54 ASP N -8.18 . . 0.50 34 2JCAN_ 54 ASP CA 55 LEU N -8.12 . . 0.50 35 2JCAN_ 55 LEU CA 56 LYS N -6.13 . . 0.50 36 2JCAN_ 56 LYS CA 57 THR N -6.29 . . 0.50 37 2JCAN_ 57 THR CA 58 GLY N -5.70 . . 0.50 38 2JCAN_ 58 GLY CA 59 LYS N -6.62 . . 0.50 39 2JCAN_ 59 LYS CA 60 LYS N -9.05 . . 0.50 40 2JCAN_ 60 LYS CA 61 THR N -9.31 . . 0.50 41 2JCAN_ 61 THR CA 62 VAL N -7.75 . . 0.50 42 2JCAN_ 62 VAL CA 63 ILE N -8.19 . . 0.50 43 2JCAN_ 63 ILE CA 64 CYS N -6.16 . . 0.50 44 2JCAN_ 64 CYS CA 65 LYS N -8.52 . . 0.50 45 2JCAN_ 66 PRO CA 67 GLU N -9.24 . . 0.50 46 2JCAN_ 67 GLU CA 68 VAL N -8.23 . . 0.50 47 2JCAN_ 68 VAL CA 69 ASN N -7.93 . . 0.50 48 2JCAN_ 69 ASN CA 70 GLY N -7.31 . . 0.50 49 2JCAN_ 70 GLY CA 71 TYR N -6.43 . . 0.50 50 2JCAN_ 71 TYR CA 72 GLY N -9.32 . . 0.50 51 2JCAN_ 72 GLY CA 73 GLY N -10.19 . . 0.50 52 2JCAN_ 77 GLY CA 78 CYS N -10.24 . . 0.50 53 2JCAN_ 79 GLN CA 80 CYS N -8.42 . . 0.50 54 2JCAN_ 80 CYS CA 81 ASP N -8.16 . . 0.50 55 2JCAN_ 81 ASP CA 82 ARG N -9.57 . . 0.50 56 2JCAN_ 82 ARG CA 83 ASP N -6.30 . . 0.50 57 2JCAN_ 83 ASP CA 84 ALA N -6.00 . . 0.50 58 2JCAN_ 84 ALA CA 85 ASN N -8.55 . . 0.50 59 2JCAN_ 85 ASN CA 86 GLN N -8.56 . . 0.50 60 2JCAN_ 95 GLY CA 96 LEU N -9.61 . . 0.50 61 2JCAN_ 99 VAL CA 100 GLN N -8.84 . . 0.50 62 2JCAN_ 100 GLN CA 101 THR N -8.88 . . 0.50 63 2JCAN_ 101 THR CA 102 ASP N -5.80 . . 0.50 64 2JCAN_ 102 ASP CA 103 GLY N -6.31 . . 0.50 65 2JCAN_ 103 GLY CA 104 THR N -6.69 . . 0.50 66 2JCAN_ 104 THR CA 105 PHE N -8.52 . . 0.50 67 2JCAN_ 105 PHE CA 106 GLU N -9.12 . . 0.50 68 2JCAN_ 106 GLU CA 107 GLU N -8.80 . . 0.50 69 2JCAN_ 107 GLU CA 108 ILE N -8.58 . . 0.50 70 2JCAN_ 108 ILE CA 109 ALA N -6.85 . . 0.50 71 2JCAN_ 109 ALA CA 110 LYS N -9.01 . . 0.50 72 2JCAN_ 110 LYS CA 111 LYS N -6.27 . . 0.50 73 2JCAN_ 111 LYS CA 112 ASP N -8.49 . . 0.50 74 2JCAN_ 112 ASP CA 113 SER N -8.44 . . 0.50 75 2JCAN_ 113 SER CA 114 GLU N -5.56 . . 0.50 76 2JCAN_ 114 GLU CA 115 GLY N -6.55 . . 0.50 77 2JCAN_ 115 GLY CA 116 ARG N -6.47 . . 0.50 78 2JCAN_ 116 ARG CA 117 ARG N -8.54 . . 0.50 79 2JCAN_ 117 ARG CA 118 MET N -8.80 . . 0.50 80 2JCAN_ 118 MET CA 119 GLN N -9.66 . . 0.50 81 2JCAN_ 119 GLN CA 120 GLY N -9.72 . . 0.50 82 2JCAN_ 122 ASN CA 123 ASP N -7.81 . . 0.50 83 2JCAN_ 125 ALA CA 126 PHE N -8.54 . . 0.50 84 2JCAN_ 127 ASP CA 128 TYR N -8.92 . . 0.50 85 2JCAN_ 128 TYR CA 129 GLU N -6.50 . . 0.50 86 2JCAN_ 129 GLU CA 130 GLY N -6.55 . . 0.50 87 2JCAN_ 137 PRO CA 138 ALA N -5.75 . . 0.50 88 2JCAN_ 138 ALA CA 139 GLY N -9.45 . . 0.50 89 2JCAN_ 139 GLY CA 140 GLU N -9.77 . . 0.50 90 2JCAN_ 140 GLU CA 141 VAL N -9.07 . . 0.50 91 2JCAN_ 141 VAL CA 142 ALA N -8.69 . . 0.50 92 2JCAN_ 143 PRO CA 144 ALA N -5.75 . . 0.50 93 2JCAN_ 144 ALA CA 145 ASP N -8.87 . . 0.50 94 2JCAN_ 145 ASP CA 146 TYR N -8.95 . . 0.50 95 2JCAN_ 146 TYR CA 147 THR N -8.52 . . 0.50 96 2JCAN_ 147 THR CA 148 ARG N -8.86 . . 0.50 97 2JCAN_ 148 ARG CA 149 SER N -8.77 . . 0.50 98 2JCAN_ 150 MET CA 151 GLN N -6.55 . . 0.50 99 2JCAN_ 151 GLN CA 152 GLU N -6.68 . . 0.50 100 2JCAN_ 152 GLU CA 153 LYS N -9.18 . . 0.50 101 2JCAN_ 153 LYS CA 154 PHE N -8.39 . . 0.50 102 2JCAN_ 154 PHE CA 155 GLY N -6.09 . . 0.50 103 2JCAN_ 155 GLY CA 156 SER N -9.05 . . 0.50 104 2JCAN_ 160 PHE CA 161 THR N -8.13 . . 0.50 105 2JCAN_ 161 THR CA 162 THR N -8.68 . . 0.50 106 2JCAN_ 162 THR CA 163 ASP N -5.61 . . 0.50 107 2JCAN_ 163 ASP CA 164 GLY N -6.51 . . 0.50 108 2JCAN_ 164 GLY CA 165 GLN N -6.65 . . 0.50 109 2JCAN_ 165 GLN CA 166 MET N -9.48 . . 0.50 110 2JCAN_ 167 ILE CA 168 GLN N -7.95 . . 0.50 111 2JCAN_ 169 VAL CA 170 ASP N -6.05 . . 0.50 112 2JCAN_ 170 ASP CA 171 THR N -8.39 . . 0.50 113 2JCAN_ 171 THR CA 172 ALA N -7.35 . . 0.50 114 2JCAN_ 172 ALA CA 173 PHE N -6.61 . . 0.50 115 2JCAN_ 173 PHE CA 174 GLN N -8.91 . . 0.50 116 2JCAN_ 174 GLN CA 175 PHE N -8.39 . . 0.50 117 2JCAN_ 176 PRO CA 177 ASN N -9.57 . . 0.50 118 2JCAN_ 180 ALA CA 181 VAL N -8.79 . . 0.50 119 2JCAN_ 182 ARG CA 183 HIS N -8.27 . . 0.50 120 2JCAN_ 183 HIS CA 184 MET N -8.92 . . 0.50 121 2JCAN_ 185 ASN CA 186 ASP N -6.83 . . 0.50 122 2JCAN_ 186 ASP CA 187 GLY N -6.46 . . 0.50 123 2JCAN_ 187 GLY CA 188 ARG N -6.91 . . 0.50 124 2JCAN_ 189 PRO CA 190 TYR N -9.45 . . 0.50 125 2JCAN_ 190 TYR CA 191 GLN N -6.02 . . 0.50 126 2JCAN_ 195 ALA CA 196 GLU N -9.39 . . 0.50 127 2JCAN_ 196 GLU CA 197 THR N -8.53 . . 0.50 128 2JCAN_ 198 PRO CA 199 THR N -6.31 . . 0.50 129 2JCAN_ 199 THR CA 200 LYS N -5.74 . . 0.50 130 2JCAN_ 200 LYS CA 201 LYS N -6.14 . . 0.50 131 2JCAN_ 201 LYS CA 202 LEU N -10.42 . . 0.50 132 2JCAN_ 205 TYR CA 206 ASP N -8.02 . . 0.50 133 2JCAN_ 206 ASP CA 207 ILE N -8.92 . . 0.50 134 2JCAN_ 207 ILE CA 208 LYS N -8.32 . . 0.50 135 2JCAN_ 208 LYS CA 209 GLY N -6.44 . . 0.50 136 2JCAN_ 210 PRO CA 211 ALA N -9.05 . . 0.50 137 2JCAN_ 211 ALA CA 212 LYS N -6.39 . . 0.50 138 2JCAN_ 212 LYS CA 213 ILE N -8.49 . . 0.50 139 2JCAN_ 213 ILE CA 214 GLU N -9.01 . . 0.50 140 2JCAN_ 214 GLU CA 215 ASN N -8.66 . . 0.50 141 2JCAN_ 215 ASN CA 216 LYS N -7.57 . . 0.50 142 2JCAN_ 216 LYS CA 217 LYS N -8.68 . . 0.50 143 2JCAN_ 217 LYS CA 218 VAL N -8.35 . . 0.50 144 2JCAN_ 218 VAL CA 219 TRP N -7.91 . . 0.50 145 2JCAN_ 219 TRP CA 220 GLY N -6.56 . . 0.50 146 2JCAN_ 220 GLY CA 221 HIS N -10.04 . . 0.50 147 2JCAN_ 221 HIS CA 222 ILE N -9.51 . . 0.50 148 2JCAN_ 223 PRO CA 224 GLY N -10.37 . . 0.50 149 2JCAN_ 224 GLY CA 225 THR N -9.77 . . 0.50 150 2JCAN_ 225 THR CA 226 HIS N -5.66 . . 0.50 151 2JCAN_ 226 HIS CA 227 GLU N -8.76 . . 0.50 152 2JCAN_ 227 GLU CA 228 GLY N -9.01 . . 0.50 153 2JCAN_ 228 GLY CA 229 GLY N -10.14 . . 0.50 154 2JCAN_ 229 GLY CA 230 ALA N -9.42 . . 0.50 155 2JCAN_ 230 ALA CA 231 ASP N -8.01 . . 0.50 156 2JCAN_ 232 GLY CA 233 MET N -10.32 . . 0.50 157 2JCAN_ 234 ASP CA 235 PHE N -8.96 . . 0.50 158 2JCAN_ 236 ASP CA 237 GLU N -8.55 . . 0.50 159 2JCAN_ 237 GLU CA 238 ASP N -6.04 . . 0.50 160 2JCAN_ 238 ASP CA 239 ASN N -6.38 . . 0.50 161 2JCAN_ 239 ASN CA 240 ASN N -7.73 . . 0.50 162 2JCAN_ 240 ASN CA 241 LEU N -8.38 . . 0.50 163 2JCAN_ 246 TRP CA 247 GLY N -9.49 . . 0.50 164 2JCAN_ 247 GLY CA 248 SER N -6.98 . . 0.50 165 2JCAN_ 248 SER CA 249 SER N -5.36 . . 0.50 166 2JCAN_ 249 SER CA 250 HIS N -6.38 . . 0.50 167 2JCAN_ 254 PHE CA 255 GLY N -9.02 . . 0.50 168 2JCAN_ 256 PRO CA 257 ASP N -6.57 . . 0.50 169 2JCAN_ 257 ASP CA 258 GLY N -6.59 . . 0.50 170 2JCAN_ 258 GLY CA 259 GLY N -10.14 . . 0.50 171 2JCAN_ 259 GLY CA 260 GLN N -9.64 . . 0.50 172 2JCAN_ 261 PRO CA 262 LYS N -9.36 . . 0.50 173 2JCAN_ 262 LYS CA 263 MET N -6.42 . . 0.50 174 2JCAN_ 263 MET CA 264 ARG N -8.45 . . 0.50 175 2JCAN_ 265 ILE CA 266 ARG N -7.79 . . 0.50 176 2JCAN_ 268 PRO CA 269 PHE N -6.29 . . 0.50 177 2JCAN_ 269 PHE CA 270 GLU N -9.07 . . 0.50 178 2JCAN_ 270 GLU CA 271 LYS N -5.69 . . 0.50 179 2JCAN_ 274 ASN CA 275 LEU N -8.68 . . 0.50 180 2JCAN_ 276 HIS CA 277 PHE N -8.43 . . 0.50 181 2JCAN_ 279 PRO CA 280 GLN N -9.41 . . 0.50 182 2JCAN_ 280 GLN CA 281 THR N -6.15 . . 0.50 183 2JCAN_ 281 THR CA 282 LYS N -9.04 . . 0.50 184 2JCAN_ 282 LYS CA 283 THR N -6.59 . . 0.50 185 2JCAN_ 288 GLU CA 289 HIS N -8.50 . . 0.50 186 2JCAN_ 289 HIS CA 290 GLU N -6.79 . . 0.50 187 2JCAN_ 290 GLU CA 291 ASN N -6.53 . . 0.50 188 2JCAN_ 291 ASN CA 292 ASN N -6.38 . . 0.50 189 2JCAN_ 292 ASN CA 293 ALA N -8.09 . . 0.50 190 2JCAN_ 297 PHE CA 298 GLU N -8.75 . . 0.50 191 2JCAN_ 299 TRP CA 300 GLN N -8.03 . . 0.50 192 2JCAN_ 300 GLN CA 301 ARG N -6.26 . . 0.50 193 2JCAN_ 301 ARG CA 302 ASN N -9.26 . . 0.50 194 2JCAN_ 302 ASN CA 303 GLY N -9.53 . . 0.50 195 2JCAN_ 303 GLY CA 304 LYS N -9.53 . . 0.50 196 2JCAN_ 304 LYS CA 305 LYS N -7.64 . . 0.50 197 2JCAN_ 305 LYS CA 306 GLN N -8.38 . . 0.50 198 2JCAN_ 306 GLN CA 307 TYR N -8.91 . . 0.50 199 2JCAN_ 307 TYR CA 308 CYS N -5.88 . . 0.50 200 2JCAN_ 308 CYS CA 309 GLU N -6.33 . . 0.50 201 2JCAN_ 309 GLU CA 310 THR N -6.22 . . 0.50 202 2JCAN_ 310 THR CA 311 LEU N -8.49 . . 0.50 203 2JCAN_ 311 LEU CA 312 LYS N -8.27 . . 0.50 204 2JCAN_ 312 LYS CA 313 PHE N -7.97 . . 0.50 205 2JCAN_ 313 PHE CA 314 GLY N -7.93 . . 0.50 206 2JCAN_ 314 GLY CA 315 ILE N -8.52 . . 0.50 207 2JCAN_ 315 ILE CA 316 PHE N -7.10 . . 0.50 stop_ save_ save_2JHNCa _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JHNCA 4 GLU H 4 GLU CA 1.99 . . 0.50 2 2JHNCA 5 ILE H 5 ILE CA 2.22 . . 0.50 3 2JHNCA 7 VAL H 7 VAL CA 1.39 . . 0.50 4 2JHNCA 8 ILE H 8 ILE CA 2.02 . . 0.50 5 2JHNCA 9 GLU H 9 GLU CA 2.50 . . 0.50 6 2JHNCA 11 LEU H 11 LEU CA 2.32 . . 0.50 7 2JHNCA 12 PHE H 12 PHE CA 1.60 . . 0.50 8 2JHNCA 13 THR H 13 THR CA 2.00 . . 0.50 9 2JHNCA 14 LYS H 14 LYS CA 2.29 . . 0.50 10 2JHNCA 15 VAL H 15 VAL CA 4.21 . . 0.50 11 2JHNCA 16 THR H 16 THR CA 1.75 . . 0.50 12 2JHNCA 17 GLU H 17 GLU CA 1.70 . . 0.50 13 2JHNCA 18 ASP H 18 ASP CA 2.59 . . 0.50 14 2JHNCA 19 ILE H 19 ILE CA 2.11 . . 0.50 15 2JHNCA 29 LYS H 29 LYS CA 3.31 . . 0.50 16 2JHNCA 30 ASN H 30 ASN CA 0.91 . . 0.50 17 2JHNCA 31 GLY H 31 GLY CA 2.23 . . 0.50 18 2JHNCA 32 ASP H 32 ASP CA 1.20 . . 0.50 19 2JHNCA 33 PHE H 33 PHE CA 1.13 . . 0.50 20 2JHNCA 40 VAL H 40 VAL CA 0.38 . . 0.50 21 2JHNCA 41 GLU H 41 GLU CA 1.70 . . 0.50 22 2JHNCA 42 VAL H 42 VAL CA 1.76 . . 0.50 23 2JHNCA 44 GLY H 44 GLY CA 2.90 . . 0.50 24 2JHNCA 45 LYS H 45 LYS CA 0.96 . . 0.50 25 2JHNCA 47 ALA H 47 ALA CA 2.13 . . 0.50 26 2JHNCA 48 GLY H 48 GLY CA 2.51 . . 0.50 27 2JHNCA 53 ILE H 53 ILE CA 2.00 . . 0.50 28 2JHNCA 54 ASP H 54 ASP CA 1.25 . . 0.50 29 2JHNCA 55 LEU H 55 LEU CA 3.02 . . 0.50 30 2JHNCA 56 LYS H 56 LYS CA 2.20 . . 0.50 31 2JHNCA 57 THR H 57 THR CA 2.05 . . 0.50 32 2JHNCA 58 GLY H 58 GLY CA 1.73 . . 0.50 33 2JHNCA 59 LYS H 59 LYS CA 2.38 . . 0.50 34 2JHNCA 60 LYS H 60 LYS CA 1.38 . . 0.50 35 2JHNCA 61 THR H 61 THR CA 1.76 . . 0.50 36 2JHNCA 62 VAL H 62 VAL CA 2.15 . . 0.50 37 2JHNCA 63 ILE H 63 ILE CA 2.75 . . 0.50 38 2JHNCA 64 CYS H 64 CYS CA 2.70 . . 0.50 39 2JHNCA 65 LYS H 65 LYS CA 2.24 . . 0.50 40 2JHNCA 67 GLU H 67 GLU CA 1.65 . . 0.50 41 2JHNCA 68 VAL H 68 VAL CA 2.33 . . 0.50 42 2JHNCA 69 ASN H 69 ASN CA 2.29 . . 0.50 43 2JHNCA 70 GLY H 70 GLY CA 2.58 . . 0.50 44 2JHNCA 71 TYR H 71 TYR CA 1.76 . . 0.50 45 2JHNCA 72 GLY H 72 GLY CA 2.07 . . 0.50 46 2JHNCA 78 CYS H 78 CYS CA 8.00 . . 0.50 47 2JHNCA 80 CYS H 80 CYS CA 1.84 . . 0.50 48 2JHNCA 81 ASP H 81 ASP CA 2.01 . . 0.50 49 2JHNCA 82 ARG H 82 ARG CA 2.60 . . 0.50 50 2JHNCA 83 ASP H 83 ASP CA 2.95 . . 0.50 51 2JHNCA 84 ALA H 84 ALA CA 1.54 . . 0.50 52 2JHNCA 85 ASN H 85 ASN CA 2.98 . . 0.50 53 2JHNCA 86 GLN H 86 GLN CA 1.98 . . 0.50 54 2JHNCA 96 LEU H 96 LEU CA 1.94 . . 0.50 55 2JHNCA 100 GLN H 100 GLN CA 1.39 . . 0.50 56 2JHNCA 101 THR H 101 THR CA 2.91 . . 0.50 57 2JHNCA 102 ASP H 102 ASP CA 2.03 . . 0.50 58 2JHNCA 103 GLY H 103 GLY CA 2.15 . . 0.50 59 2JHNCA 104 THR H 104 THR CA 2.39 . . 0.50 60 2JHNCA 105 PHE H 105 PHE CA 1.73 . . 0.50 61 2JHNCA 106 GLU H 106 GLU CA 1.72 . . 0.50 62 2JHNCA 107 GLU H 107 GLU CA 1.77 . . 0.50 63 2JHNCA 108 ILE H 108 ILE CA 2.75 . . 0.50 64 2JHNCA 109 ALA H 109 ALA CA 2.07 . . 0.50 65 2JHNCA 112 ASP H 112 ASP CA 2.13 . . 0.50 66 2JHNCA 113 SER H 113 SER CA 2.65 . . 0.50 67 2JHNCA 114 GLU H 114 GLU CA 1.45 . . 0.50 68 2JHNCA 115 GLY H 115 GLY CA 2.09 . . 0.50 69 2JHNCA 116 ARG H 116 ARG CA 1.39 . . 0.50 70 2JHNCA 117 ARG H 117 ARG CA 2.68 . . 0.50 71 2JHNCA 118 MET H 118 MET CA 2.45 . . 0.50 72 2JHNCA 119 GLN H 119 GLN CA 1.09 . . 0.50 73 2JHNCA 120 GLY H 120 GLY CA 2.94 . . 0.50 74 2JHNCA 123 ASP H 123 ASP CA 1.99 . . 0.50 75 2JHNCA 126 PHE H 126 PHE CA 2.37 . . 0.50 76 2JHNCA 128 TYR H 128 TYR CA 6.39 . . 0.50 77 2JHNCA 130 GLY H 130 GLY CA 1.40 . . 0.50 78 2JHNCA 138 ALA H 138 ALA CA 0.94 . . 0.50 79 2JHNCA 139 GLY H 139 GLY CA 2.58 . . 0.50 80 2JHNCA 140 GLU H 140 GLU CA 2.70 . . 0.50 81 2JHNCA 141 VAL H 141 VAL CA 2.98 . . 0.50 82 2JHNCA 142 ALA H 142 ALA CA 3.34 . . 0.50 83 2JHNCA 144 ALA H 144 ALA CA 2.13 . . 0.50 84 2JHNCA 145 ASP H 145 ASP CA 2.37 . . 0.50 85 2JHNCA 146 TYR H 146 TYR CA 2.14 . . 0.50 86 2JHNCA 147 THR H 147 THR CA 1.55 . . 0.50 87 2JHNCA 148 ARG H 148 ARG CA 2.30 . . 0.50 88 2JHNCA 149 SER H 149 SER CA 2.51 . . 0.50 89 2JHNCA 151 GLN H 151 GLN CA 2.08 . . 0.50 90 2JHNCA 152 GLU H 152 GLU CA 1.18 . . 0.50 91 2JHNCA 153 LYS H 153 LYS CA 2.49 . . 0.50 92 2JHNCA 154 PHE H 154 PHE CA 2.61 . . 0.50 93 2JHNCA 155 GLY H 155 GLY CA 1.22 . . 0.50 94 2JHNCA 156 SER H 156 SER CA 1.61 . . 0.50 95 2JHNCA 161 THR H 161 THR CA 2.31 . . 0.50 96 2JHNCA 162 THR H 162 THR CA 3.20 . . 0.50 97 2JHNCA 164 GLY H 164 GLY CA 1.93 . . 0.50 98 2JHNCA 165 GLN H 165 GLN CA 1.38 . . 0.50 99 2JHNCA 166 MET H 166 MET CA 2.22 . . 0.50 100 2JHNCA 168 GLN H 168 GLN CA 2.23 . . 0.50 101 2JHNCA 170 ASP H 170 ASP CA 2.02 . . 0.50 102 2JHNCA 171 THR H 171 THR CA 1.69 . . 0.50 103 2JHNCA 172 ALA H 172 ALA CA 3.02 . . 0.50 104 2JHNCA 173 PHE H 173 PHE CA 1.65 . . 0.50 105 2JHNCA 174 GLN H 174 GLN CA 2.50 . . 0.50 106 2JHNCA 175 PHE H 175 PHE CA 3.37 . . 0.50 107 2JHNCA 177 ASN H 177 ASN CA 4.13 . . 0.50 108 2JHNCA 181 VAL H 181 VAL CA 1.95 . . 0.50 109 2JHNCA 183 HIS H 183 HIS CA 2.90 . . 0.50 110 2JHNCA 184 MET H 184 MET CA 1.87 . . 0.50 111 2JHNCA 187 GLY H 187 GLY CA 2.93 . . 0.50 112 2JHNCA 188 ARG H 188 ARG CA 3.51 . . 0.50 113 2JHNCA 196 GLU H 196 GLU CA 2.05 . . 0.50 114 2JHNCA 199 THR H 199 THR CA 2.00 . . 0.50 115 2JHNCA 200 LYS H 200 LYS CA 3.05 . . 0.50 116 2JHNCA 201 LYS H 201 LYS CA 1.05 . . 0.50 117 2JHNCA 206 ASP H 206 ASP CA 1.62 . . 0.50 118 2JHNCA 207 ILE H 207 ILE CA 2.20 . . 0.50 119 2JHNCA 208 LYS H 208 LYS CA 1.44 . . 0.50 120 2JHNCA 209 GLY H 209 GLY CA 1.87 . . 0.50 121 2JHNCA 211 ALA H 211 ALA CA 2.69 . . 0.50 122 2JHNCA 212 LYS H 212 LYS CA 1.83 . . 0.50 123 2JHNCA 213 ILE H 213 ILE CA 1.35 . . 0.50 124 2JHNCA 214 GLU H 214 GLU CA 1.48 . . 0.50 125 2JHNCA 215 ASN H 215 ASN CA 2.52 . . 0.50 126 2JHNCA 216 LYS H 216 LYS CA 2.49 . . 0.50 127 2JHNCA 217 LYS H 217 LYS CA -1.18 . . 0.50 128 2JHNCA 218 VAL H 218 VAL CA 2.35 . . 0.50 129 2JHNCA 219 TRP H 219 TRP CA -1.52 . . 0.50 130 2JHNCA 220 GLY H 220 GLY CA 2.16 . . 0.50 131 2JHNCA 221 HIS H 221 HIS CA 1.20 . . 0.50 132 2JHNCA 222 ILE H 222 ILE CA 1.54 . . 0.50 133 2JHNCA 224 GLY H 224 GLY CA 2.07 . . 0.50 134 2JHNCA 227 GLU H 227 GLU CA 1.52 . . 0.50 135 2JHNCA 228 GLY H 228 GLY CA 1.87 . . 0.50 136 2JHNCA 229 GLY H 229 GLY CA 1.63 . . 0.50 137 2JHNCA 231 ASP H 231 ASP CA 3.08 . . 0.50 138 2JHNCA 235 PHE H 235 PHE CA 1.42 . . 0.50 139 2JHNCA 237 GLU H 237 GLU CA 2.62 . . 0.50 140 2JHNCA 238 ASP H 238 ASP CA 1.53 . . 0.50 141 2JHNCA 239 ASN H 239 ASN CA 3.24 . . 0.50 142 2JHNCA 240 ASN H 240 ASN CA 1.81 . . 0.50 143 2JHNCA 247 GLY H 247 GLY CA 1.85 . . 0.50 144 2JHNCA 248 SER H 248 SER CA 2.13 . . 0.50 145 2JHNCA 249 SER H 249 SER CA 2.49 . . 0.50 146 2JHNCA 250 HIS H 250 HIS CA 0.28 . . 0.50 147 2JHNCA 255 GLY H 255 GLY CA 1.69 . . 0.50 148 2JHNCA 257 ASP H 257 ASP CA 2.76 . . 0.50 149 2JHNCA 258 GLY H 258 GLY CA 2.48 . . 0.50 150 2JHNCA 259 GLY H 259 GLY CA 2.20 . . 0.50 151 2JHNCA 260 GLN H 260 GLN CA 1.19 . . 0.50 152 2JHNCA 262 LYS H 262 LYS CA 1.96 . . 0.50 153 2JHNCA 263 MET H 263 MET CA 1.33 . . 0.50 154 2JHNCA 264 ARG H 264 ARG CA 1.79 . . 0.50 155 2JHNCA 266 ARG H 266 ARG CA 1.99 . . 0.50 156 2JHNCA 269 PHE H 269 PHE CA 1.38 . . 0.50 157 2JHNCA 270 GLU H 270 GLU CA 2.55 . . 0.50 158 2JHNCA 271 LYS H 271 LYS CA 3.37 . . 0.50 159 2JHNCA 275 LEU H 275 LEU CA 1.69 . . 0.50 160 2JHNCA 277 PHE H 277 PHE CA 1.36 . . 0.50 161 2JHNCA 280 GLN H 280 GLN CA 2.72 . . 0.50 162 2JHNCA 281 THR H 281 THR CA 1.00 . . 0.50 163 2JHNCA 282 LYS H 282 LYS CA 2.01 . . 0.50 164 2JHNCA 283 THR H 283 THR CA 2.16 . . 0.50 165 2JHNCA 289 HIS H 289 HIS CA 8.07 . . 0.50 166 2JHNCA 292 ASN H 292 ASN CA 3.02 . . 0.50 167 2JHNCA 298 GLU H 298 GLU CA 1.59 . . 0.50 168 2JHNCA 300 GLN H 300 GLN CA 2.03 . . 0.50 169 2JHNCA 301 ARG H 301 ARG CA 0.96 . . 0.50 170 2JHNCA 302 ASN H 302 ASN CA 1.84 . . 0.50 171 2JHNCA 303 GLY H 303 GLY CA 1.82 . . 0.50 172 2JHNCA 304 LYS H 304 LYS CA 2.39 . . 0.50 173 2JHNCA 305 LYS H 305 LYS CA 3.23 . . 0.50 174 2JHNCA 306 GLN H 306 GLN CA 1.79 . . 0.50 175 2JHNCA 307 TYR H 307 TYR CA 3.22 . . 0.50 176 2JHNCA 308 CYS H 308 CYS CA 4.58 . . 0.50 177 2JHNCA 309 GLU H 309 GLU CA 2.87 . . 0.50 178 2JHNCA 312 LYS H 312 LYS CA 2.25 . . 0.50 179 2JHNCA 313 PHE H 313 PHE CA 1.94 . . 0.50 180 2JHNCA 315 ILE H 315 ILE CA 1.95 . . 0.50 181 2JHNCA 316 PHE H 316 PHE CA 1.65 . . 0.50 stop_ save_ save_2JCOHN _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '2D IPAP-type HN(a/b-NCO-J)-TROSY' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JCOHN 3 MET C 4 GLU H 4.02 . . 0.50 2 2JCOHN 4 GLU C 5 ILE H 4.01 . . 0.50 3 2JCOHN 6 PRO C 7 VAL H 4.01 . . 0.50 4 2JCOHN 7 VAL C 8 ILE H 3.81 . . 0.50 5 2JCOHN 8 ILE C 9 GLU H 3.99 . . 0.50 6 2JCOHN 10 PRO C 11 LEU H 4.13 . . 0.50 7 2JCOHN 11 LEU C 12 PHE H 4.18 . . 0.50 8 2JCOHN 12 PHE C 13 THR H 4.16 . . 0.50 9 2JCOHN 13 THR C 14 LYS H 4.10 . . 0.50 10 2JCOHN 14 LYS C 15 VAL H 4.20 . . 0.50 11 2JCOHN 15 VAL C 16 THR H 4.43 . . 0.50 12 2JCOHN 16 THR C 17 GLU H 3.54 . . 0.50 13 2JCOHN 17 GLU C 18 ASP H 4.63 . . 0.50 14 2JCOHN 18 ASP C 19 ILE H 3.98 . . 0.50 15 2JCOHN 20 PRO C 21 GLY H 4.25 . . 0.50 16 2JCOHN 21 GLY C 22 ALA H 2.38 . . 0.50 17 2JCOHN 23 GLU C 24 GLY H 2.73 . . 0.50 18 2JCOHN 26 VAL C 27 PHE H 4.10 . . 0.50 19 2JCOHN 28 ASP C 29 LYS H 4.92 . . 0.50 20 2JCOHN 29 LYS C 30 ASN H 4.10 . . 0.50 21 2JCOHN 30 ASN C 31 GLY H 4.57 . . 0.50 22 2JCOHN 31 GLY C 32 ASP H 3.94 . . 0.50 23 2JCOHN 32 ASP C 33 PHE H 3.88 . . 0.50 24 2JCOHN 39 GLU C 40 VAL H 5.12 . . 0.50 25 2JCOHN 40 VAL C 41 GLU H 3.83 . . 0.50 26 2JCOHN 41 GLU C 42 VAL H 3.96 . . 0.50 27 2JCOHN 43 ASN C 44 GLY H 4.26 . . 0.50 28 2JCOHN 44 GLY C 45 LYS H 4.20 . . 0.50 29 2JCOHN 46 PRO C 47 ALA H 4.03 . . 0.50 30 2JCOHN 47 ALA C 48 GLY H 4.79 . . 0.50 31 2JCOHN 53 ILE C 54 ASP H 3.96 . . 0.50 32 2JCOHN 55 LEU C 56 LYS H 4.37 . . 0.50 33 2JCOHN 56 LYS C 57 THR H 3.53 . . 0.50 34 2JCOHN 57 THR C 58 GLY H 4.57 . . 0.50 35 2JCOHN 58 GLY C 59 LYS H 4.29 . . 0.50 36 2JCOHN 59 LYS C 60 LYS H 3.94 . . 0.50 37 2JCOHN 60 LYS C 61 THR H 4.22 . . 0.50 38 2JCOHN 61 THR C 62 VAL H 4.16 . . 0.50 39 2JCOHN 62 VAL C 63 ILE H 4.08 . . 0.50 40 2JCOHN 63 ILE C 64 CYS H 4.50 . . 0.50 41 2JCOHN 64 CYS C 65 LYS H 4.08 . . 0.50 42 2JCOHN 66 PRO C 67 GLU H 4.51 . . 0.50 43 2JCOHN 67 GLU C 68 VAL H 3.94 . . 0.50 44 2JCOHN 68 VAL C 69 ASN H 4.43 . . 0.50 45 2JCOHN 69 ASN C 70 GLY H 4.10 . . 0.50 46 2JCOHN 70 GLY C 71 TYR H 4.02 . . 0.50 47 2JCOHN 71 TYR C 72 GLY H 4.86 . . 0.50 48 2JCOHN 72 GLY C 73 GLY H 4.47 . . 0.50 49 2JCOHN 77 GLY C 78 CYS H 4.21 . . 0.50 50 2JCOHN 79 GLN C 80 CYS H 4.06 . . 0.50 51 2JCOHN 80 CYS C 81 ASP H 4.34 . . 0.50 52 2JCOHN 81 ASP C 82 ARG H 2.94 . . 0.50 53 2JCOHN 82 ARG C 83 ASP H 4.08 . . 0.50 54 2JCOHN 83 ASP C 84 ALA H 4.10 . . 0.50 55 2JCOHN 84 ALA C 85 ASN H 4.04 . . 0.50 56 2JCOHN 85 ASN C 86 GLN H 3.90 . . 0.50 57 2JCOHN 95 GLY C 96 LEU H 4.60 . . 0.50 58 2JCOHN 99 VAL C 100 GLN H 4.07 . . 0.50 59 2JCOHN 100 GLN C 101 THR H 3.92 . . 0.50 60 2JCOHN 101 THR C 102 ASP H 4.17 . . 0.50 61 2JCOHN 102 ASP C 103 GLY H 4.30 . . 0.50 62 2JCOHN 103 GLY C 104 THR H 3.56 . . 0.50 63 2JCOHN 104 THR C 105 PHE H 4.44 . . 0.50 64 2JCOHN 105 PHE C 106 GLU H 4.03 . . 0.50 65 2JCOHN 106 GLU C 107 GLU H 3.84 . . 0.50 66 2JCOHN 107 GLU C 108 ILE H 4.44 . . 0.50 67 2JCOHN 108 ILE C 109 ALA H 4.28 . . 0.50 68 2JCOHN 111 LYS C 112 ASP H 3.61 . . 0.50 69 2JCOHN 112 ASP C 113 SER H 3.42 . . 0.50 70 2JCOHN 113 SER C 114 GLU H 3.99 . . 0.50 71 2JCOHN 114 GLU C 115 GLY H 4.30 . . 0.50 72 2JCOHN 115 GLY C 116 ARG H 4.31 . . 0.50 73 2JCOHN 116 ARG C 117 ARG H 4.66 . . 0.50 74 2JCOHN 117 ARG C 118 MET H 3.97 . . 0.50 75 2JCOHN 118 MET C 119 GLN H 4.00 . . 0.50 76 2JCOHN 119 GLN C 120 GLY H 3.92 . . 0.50 77 2JCOHN 122 ASN C 123 ASP H 3.82 . . 0.50 78 2JCOHN 125 ALA C 126 PHE H 3.79 . . 0.50 79 2JCOHN 128 TYR C 129 GLU H 3.81 . . 0.50 80 2JCOHN 129 GLU C 130 GLY H 4.12 . . 0.50 81 2JCOHN 137 PRO C 138 ALA H 3.99 . . 0.50 82 2JCOHN 138 ALA C 139 GLY H 4.17 . . 0.50 83 2JCOHN 139 GLY C 140 GLU H 3.99 . . 0.50 84 2JCOHN 140 GLU C 141 VAL H 3.43 . . 0.50 85 2JCOHN 141 VAL C 142 ALA H 3.42 . . 0.50 86 2JCOHN 143 PRO C 144 ALA H 4.24 . . 0.50 87 2JCOHN 144 ALA C 145 ASP H 3.95 . . 0.50 88 2JCOHN 145 ASP C 146 TYR H 3.86 . . 0.50 89 2JCOHN 146 TYR C 147 THR H 4.28 . . 0.50 90 2JCOHN 147 THR C 148 ARG H 3.99 . . 0.50 91 2JCOHN 148 ARG C 149 SER H 3.04 . . 0.50 92 2JCOHN 150 MET C 151 GLN H 4.01 . . 0.50 93 2JCOHN 151 GLN C 152 GLU H 4.37 . . 0.50 94 2JCOHN 152 GLU C 153 LYS H 3.82 . . 0.50 95 2JCOHN 153 LYS C 154 PHE H 2.54 . . 0.50 96 2JCOHN 154 PHE C 155 GLY H 4.99 . . 0.50 97 2JCOHN 160 PHE C 161 THR H 3.77 . . 0.50 98 2JCOHN 161 THR C 162 THR H 3.52 . . 0.50 99 2JCOHN 163 ASP C 164 GLY H 4.74 . . 0.50 100 2JCOHN 164 GLY C 165 GLN H 4.10 . . 0.50 101 2JCOHN 165 GLN C 166 MET H 4.43 . . 0.50 102 2JCOHN 167 ILE C 168 GLN H 4.02 . . 0.50 103 2JCOHN 169 VAL C 170 ASP H 4.55 . . 0.50 104 2JCOHN 170 ASP C 171 THR H 3.28 . . 0.50 105 2JCOHN 171 THR C 172 ALA H 2.76 . . 0.50 106 2JCOHN 172 ALA C 173 PHE H 3.89 . . 0.50 107 2JCOHN 173 PHE C 174 GLN H 4.57 . . 0.50 108 2JCOHN 174 GLN C 175 PHE H 3.99 . . 0.50 109 2JCOHN 176 PRO C 177 ASN H 4.62 . . 0.50 110 2JCOHN 180 ALA C 181 VAL H 4.17 . . 0.50 111 2JCOHN 182 ARG C 183 HIS H 4.27 . . 0.50 112 2JCOHN 183 HIS C 184 MET H 3.39 . . 0.50 113 2JCOHN 185 ASN C 186 ASP H 2.91 . . 0.50 114 2JCOHN 186 ASP C 187 GLY H 4.30 . . 0.50 115 2JCOHN 187 GLY C 188 ARG H 4.25 . . 0.50 116 2JCOHN 189 PRO C 190 TYR H 3.94 . . 0.50 117 2JCOHN 195 ALA C 196 GLU H 5.11 . . 0.50 118 2JCOHN 198 PRO C 199 THR H 4.67 . . 0.50 119 2JCOHN 199 THR C 200 LYS H 4.11 . . 0.50 120 2JCOHN 200 LYS C 201 LYS H 4.08 . . 0.50 121 2JCOHN 201 LYS C 202 LEU H 3.17 . . 0.50 122 2JCOHN 205 TYR C 206 ASP H 3.50 . . 0.50 123 2JCOHN 206 ASP C 207 ILE H 4.05 . . 0.50 124 2JCOHN 207 ILE C 208 LYS H 4.02 . . 0.50 125 2JCOHN 208 LYS C 209 GLY H 4.54 . . 0.50 126 2JCOHN 210 PRO C 211 ALA H 4.27 . . 0.50 127 2JCOHN 211 ALA C 212 LYS H 4.09 . . 0.50 128 2JCOHN 212 LYS C 213 ILE H 4.09 . . 0.50 129 2JCOHN 213 ILE C 214 GLU H 4.04 . . 0.50 130 2JCOHN 214 GLU C 215 ASN H 4.48 . . 0.50 131 2JCOHN 215 ASN C 216 LYS H 4.20 . . 0.50 132 2JCOHN 217 LYS C 218 VAL H 4.21 . . 0.50 133 2JCOHN 218 VAL C 219 TRP H 3.15 . . 0.50 134 2JCOHN 219 TRP C 220 GLY H 4.39 . . 0.50 135 2JCOHN 220 GLY C 221 HIS H 3.68 . . 0.50 136 2JCOHN 221 HIS C 222 ILE H 4.44 . . 0.50 137 2JCOHN 223 PRO C 224 GLY H 4.43 . . 0.50 138 2JCOHN 224 GLY C 225 THR H 3.21 . . 0.50 139 2JCOHN 226 HIS C 227 GLU H 2.69 . . 0.50 140 2JCOHN 227 GLU C 228 GLY H 4.15 . . 0.50 141 2JCOHN 228 GLY C 229 GLY H 4.30 . . 0.50 142 2JCOHN 230 ALA C 231 ASP H 4.00 . . 0.50 143 2JCOHN 232 GLY C 233 MET H 4.06 . . 0.50 144 2JCOHN 234 ASP C 235 PHE H 3.88 . . 0.50 145 2JCOHN 236 ASP C 237 GLU H 3.37 . . 0.50 146 2JCOHN 237 GLU C 238 ASP H 4.13 . . 0.50 147 2JCOHN 238 ASP C 239 ASN H 4.79 . . 0.50 148 2JCOHN 239 ASN C 240 ASN H 2.87 . . 0.50 149 2JCOHN 241 LEU C 242 LEU H 4.01 . . 0.50 150 2JCOHN 246 TRP C 247 GLY H 4.48 . . 0.50 151 2JCOHN 247 GLY C 248 SER H 3.83 . . 0.50 152 2JCOHN 248 SER C 249 SER H 3.86 . . 0.50 153 2JCOHN 249 SER C 250 HIS H 4.37 . . 0.50 154 2JCOHN 251 ILE C 252 GLU H 3.37 . . 0.50 155 2JCOHN 254 PHE C 255 GLY H 3.60 . . 0.50 156 2JCOHN 256 PRO C 257 ASP H 4.49 . . 0.50 157 2JCOHN 257 ASP C 258 GLY H 4.39 . . 0.50 158 2JCOHN 258 GLY C 259 GLY H 4.21 . . 0.50 159 2JCOHN 259 GLY C 260 GLN H 3.74 . . 0.50 160 2JCOHN 261 PRO C 262 LYS H 3.60 . . 0.50 161 2JCOHN 262 LYS C 263 MET H 4.77 . . 0.50 162 2JCOHN 263 MET C 264 ARG H 3.97 . . 0.50 163 2JCOHN 265 ILE C 266 ARG H 4.24 . . 0.50 164 2JCOHN 268 PRO C 269 PHE H 3.96 . . 0.50 165 2JCOHN 269 PHE C 270 GLU H 2.88 . . 0.50 166 2JCOHN 270 GLU C 271 LYS H 3.05 . . 0.50 167 2JCOHN 273 SER C 274 ASN H 2.62 . . 0.50 168 2JCOHN 274 ASN C 275 LEU H 3.31 . . 0.50 169 2JCOHN 276 HIS C 277 PHE H 3.84 . . 0.50 170 2JCOHN 279 PRO C 280 GLN H 4.06 . . 0.50 171 2JCOHN 280 GLN C 281 THR H 3.90 . . 0.50 172 2JCOHN 281 THR C 282 LYS H 4.05 . . 0.50 173 2JCOHN 282 LYS C 283 THR H 4.26 . . 0.50 174 2JCOHN 288 GLU C 289 HIS H 3.29 . . 0.50 175 2JCOHN 290 GLU C 291 ASN H 3.12 . . 0.50 176 2JCOHN 291 ASN C 292 ASN H 4.11 . . 0.50 177 2JCOHN 292 ASN C 293 ALA H 3.35 . . 0.50 178 2JCOHN 297 PHE C 298 GLU H 4.44 . . 0.50 179 2JCOHN 299 TRP C 300 GLN H 3.60 . . 0.50 180 2JCOHN 300 GLN C 301 ARG H 4.27 . . 0.50 181 2JCOHN 301 ARG C 302 ASN H 3.76 . . 0.50 182 2JCOHN 302 ASN C 303 GLY H 5.02 . . 0.50 183 2JCOHN 303 GLY C 304 LYS H 4.52 . . 0.50 184 2JCOHN 304 LYS C 305 LYS H 3.88 . . 0.50 185 2JCOHN 305 LYS C 306 GLN H 3.69 . . 0.50 186 2JCOHN 306 GLN C 307 TYR H 4.01 . . 0.50 187 2JCOHN 307 TYR C 308 CYS H 3.52 . . 0.50 188 2JCOHN 308 CYS C 309 GLU H 4.11 . . 0.50 189 2JCOHN 311 LEU C 312 LYS H 4.18 . . 0.50 190 2JCOHN 312 LYS C 313 PHE H 3.93 . . 0.50 191 2JCOHN 313 PHE C 314 GLY H 4.96 . . 0.50 192 2JCOHN 314 GLY C 315 ILE H 3.71 . . 0.50 193 2JCOHN 315 ILE C 316 PHE H 4.02 . . 0.50 stop_ save_ save_2JN_Ha _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ha-coupled [15N,1H]-TROSY-iHNCA' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 2JN_HA 4 GLU N 4 GLU HA -1.21 . . 0.50 2 2JN_HA 5 ILE N 5 ILE HA 0.24 . . 0.50 3 2JN_HA 7 VAL N 7 VAL HA -0.19 . . 0.50 4 2JN_HA 8 ILE N 8 ILE HA -0.35 . . 0.50 5 2JN_HA 9 GLU N 9 GLU HA -0.09 . . 0.50 6 2JN_HA 11 LEU N 11 LEU HA -0.09 . . 0.50 7 2JN_HA 12 PHE N 12 PHE HA 0.03 . . 0.50 8 2JN_HA 13 THR N 13 THR HA -0.49 . . 0.50 9 2JN_HA 14 LYS N 14 LYS HA 0.69 . . 0.50 10 2JN_HA 15 VAL N 15 VAL HA 0.84 . . 0.50 11 2JN_HA 16 THR N 16 THR HA 0.88 . . 0.50 12 2JN_HA 17 GLU N 17 GLU HA 0.57 . . 0.50 13 2JN_HA 18 ASP N 18 ASP HA -1.80 . . 0.50 14 2JN_HA 19 ILE N 19 ILE HA 1.16 . . 0.50 15 2JN_HA 22 ALA N 22 ALA HA -2.50 . . 0.50 16 2JN_HA 28 ASP N 28 ASP HA -0.10 . . 0.50 17 2JN_HA 29 LYS N 29 LYS HA -1.66 . . 0.50 18 2JN_HA 30 ASN N 30 ASN HA 0.50 . . 0.50 19 2JN_HA 32 ASP N 32 ASP HA -2.43 . . 0.50 20 2JN_HA 33 PHE N 33 PHE HA -0.86 . . 0.50 21 2JN_HA 34 TYR N 34 TYR HA -0.70 . . 0.50 22 2JN_HA 35 ILE N 35 ILE HA -0.91 . . 0.50 23 2JN_HA 36 VAL N 36 VAL HA -1.09 . . 0.50 24 2JN_HA 37 ALA N 37 ALA HA 0.68 . . 0.50 25 2JN_HA 40 VAL N 40 VAL HA 1.22 . . 0.50 26 2JN_HA 41 GLU N 41 GLU HA 0.74 . . 0.50 27 2JN_HA 42 VAL N 42 VAL HA 0.50 . . 0.50 28 2JN_HA 45 LYS N 45 LYS HA -0.24 . . 0.50 29 2JN_HA 47 ALA N 47 ALA HA 1.01 . . 0.50 30 2JN_HA 50 ILE N 50 ILE HA -0.18 . . 0.50 31 2JN_HA 52 ARG N 52 ARG HA 0.91 . . 0.50 32 2JN_HA 53 ILE N 53 ILE HA 0.67 . . 0.50 33 2JN_HA 54 ASP N 54 ASP HA -0.11 . . 0.50 34 2JN_HA 55 LEU N 55 LEU HA 0.51 . . 0.50 35 2JN_HA 56 LYS N 56 LYS HA 0.55 . . 0.50 36 2JN_HA 57 THR N 57 THR HA 0.88 . . 0.50 37 2JN_HA 59 LYS N 59 LYS HA 0.04 . . 0.50 38 2JN_HA 60 LYS N 60 LYS HA -0.89 . . 0.50 39 2JN_HA 61 THR N 61 THR HA 1.11 . . 0.50 40 2JN_HA 62 VAL N 62 VAL HA 0.13 . . 0.50 41 2JN_HA 63 ILE N 63 ILE HA -0.84 . . 0.50 42 2JN_HA 64 CYS N 64 CYS HA 0.53 . . 0.50 43 2JN_HA 65 LYS N 65 LYS HA 0.16 . . 0.50 44 2JN_HA 67 GLU N 67 GLU HA -0.56 . . 0.50 45 2JN_HA 68 VAL N 68 VAL HA -0.23 . . 0.50 46 2JN_HA 69 ASN N 69 ASN HA 0.39 . . 0.50 47 2JN_HA 71 TYR N 71 TYR HA 0.04 . . 0.50 48 2JN_HA 74 ILE N 74 ILE HA -3.06 . . 0.50 49 2JN_HA 76 ALA N 76 ALA HA -1.56 . . 0.50 50 2JN_HA 79 GLN N 79 GLN HA -0.75 . . 0.50 51 2JN_HA 80 CYS N 80 CYS HA 0.75 . . 0.50 52 2JN_HA 81 ASP N 81 ASP HA 1.47 . . 0.50 53 2JN_HA 82 ARG N 82 ARG HA -0.18 . . 0.50 54 2JN_HA 83 ASP N 83 ASP HA 0.33 . . 0.50 55 2JN_HA 84 ALA N 84 ALA HA 0.83 . . 0.50 56 2JN_HA 86 GLN N 86 GLN HA -1.14 . . 0.50 57 2JN_HA 88 PHE N 88 PHE HA 0.57 . . 0.50 58 2JN_HA 89 VAL N 89 VAL HA 0.67 . . 0.50 59 2JN_HA 90 ALA N 90 ALA HA -0.77 . . 0.50 60 2JN_HA 91 ASP N 91 ASP HA 2.06 . . 0.50 61 2JN_HA 92 MET N 92 MET HA 0.03 . . 0.50 62 2JN_HA 93 ARG N 93 ARG HA -1.00 . . 0.50 63 2JN_HA 96 LEU N 96 LEU HA -0.31 . . 0.50 64 2JN_HA 97 LEU N 97 LEU HA -1.35 . . 0.50 65 2JN_HA 98 VAL N 98 VAL HA -0.36 . . 0.50 66 2JN_HA 99 VAL N 99 VAL HA -0.11 . . 0.50 67 2JN_HA 100 GLN N 100 GLN HA -1.25 . . 0.50 68 2JN_HA 101 THR N 101 THR HA 0.92 . . 0.50 69 2JN_HA 102 ASP N 102 ASP HA -0.65 . . 0.50 70 2JN_HA 104 THR N 104 THR HA 0.12 . . 0.50 71 2JN_HA 105 PHE N 105 PHE HA -0.43 . . 0.50 72 2JN_HA 106 GLU N 106 GLU HA -0.63 . . 0.50 73 2JN_HA 107 GLU N 107 GLU HA -0.07 . . 0.50 74 2JN_HA 108 ILE N 108 ILE HA -0.57 . . 0.50 75 2JN_HA 109 ALA N 109 ALA HA 0.56 . . 0.50 76 2JN_HA 112 ASP N 112 ASP HA -1.25 . . 0.50 77 2JN_HA 113 SER N 113 SER HA -1.66 . . 0.50 78 2JN_HA 114 GLU N 114 GLU HA -0.62 . . 0.50 79 2JN_HA 116 ARG N 116 ARG HA 1.12 . . 0.50 80 2JN_HA 117 ARG N 117 ARG HA -0.45 . . 0.50 81 2JN_HA 118 MET N 118 MET HA -0.07 . . 0.50 82 2JN_HA 121 CYS N 121 CYS HA -0.38 . . 0.50 83 2JN_HA 124 CYS N 124 CYS HA -0.44 . . 0.50 84 2JN_HA 125 ALA N 125 ALA HA -1.46 . . 0.50 85 2JN_HA 126 PHE N 126 PHE HA 0.40 . . 0.50 86 2JN_HA 127 ASP N 127 ASP HA 0.29 . . 0.50 87 2JN_HA 129 GLU N 129 GLU HA -1.80 . . 0.50 88 2JN_HA 131 ASN N 131 ASN HA -0.39 . . 0.50 89 2JN_HA 132 LEU N 132 LEU HA -0.14 . . 0.50 90 2JN_HA 133 TRP N 133 TRP HA 0.36 . . 0.50 91 2JN_HA 134 ILE N 134 ILE HA -1.27 . . 0.50 92 2JN_HA 135 THR N 135 THR HA -0.21 . . 0.50 93 2JN_HA 136 ALA N 136 ALA HA -0.60 . . 0.50 94 2JN_HA 138 ALA N 138 ALA HA 0.07 . . 0.50 95 2JN_HA 140 GLU N 140 GLU HA 0.68 . . 0.50 96 2JN_HA 141 VAL N 141 VAL HA -1.60 . . 0.50 97 2JN_HA 142 ALA N 142 ALA HA -0.00 . . 0.50 98 2JN_HA 144 ALA N 144 ALA HA -0.73 . . 0.50 99 2JN_HA 145 ASP N 145 ASP HA -0.26 . . 0.50 100 2JN_HA 146 TYR N 146 TYR HA 0.83 . . 0.50 101 2JN_HA 147 THR N 147 THR HA -1.31 . . 0.50 102 2JN_HA 152 GLU N 152 GLU HA 0.90 . . 0.50 103 2JN_HA 153 LYS N 153 LYS HA -1.52 . . 0.50 104 2JN_HA 154 PHE N 154 PHE HA -0.61 . . 0.50 105 2JN_HA 156 SER N 156 SER HA -0.92 . . 0.50 106 2JN_HA 157 ILE N 157 ILE HA 0.34 . . 0.50 107 2JN_HA 158 TYR N 158 TYR HA -0.84 . . 0.50 108 2JN_HA 159 CYS N 159 CYS HA -0.04 . . 0.50 109 2JN_HA 160 PHE N 160 PHE HA 1.75 . . 0.50 110 2JN_HA 162 THR N 162 THR HA 0.41 . . 0.50 111 2JN_HA 165 GLN N 165 GLN HA 1.01 . . 0.50 112 2JN_HA 166 MET N 166 MET HA 0.08 . . 0.50 113 2JN_HA 167 ILE N 167 ILE HA 1.04 . . 0.50 114 2JN_HA 168 GLN N 168 GLN HA 1.44 . . 0.50 115 2JN_HA 169 VAL N 169 VAL HA 3.40 . . 0.50 116 2JN_HA 170 ASP N 170 ASP HA 0.22 . . 0.50 117 2JN_HA 171 THR N 171 THR HA -0.16 . . 0.50 118 2JN_HA 172 ALA N 172 ALA HA 0.40 . . 0.50 119 2JN_HA 173 PHE N 173 PHE HA -0.04 . . 0.50 120 2JN_HA 174 GLN N 174 GLN HA 1.28 . . 0.50 121 2JN_HA 177 ASN N 177 ASN HA -1.01 . . 0.50 122 2JN_HA 180 ALA N 180 ALA HA -0.22 . . 0.50 123 2JN_HA 181 VAL N 181 VAL HA -0.16 . . 0.50 124 2JN_HA 183 HIS N 183 HIS HA 2.46 . . 0.50 125 2JN_HA 184 MET N 184 MET HA 1.16 . . 0.50 126 2JN_HA 188 ARG N 188 ARG HA 0.43 . . 0.50 127 2JN_HA 192 LEU N 192 LEU HA -0.18 . . 0.50 128 2JN_HA 193 ILE N 193 ILE HA 0.36 . . 0.50 129 2JN_HA 194 VAL N 194 VAL HA 0.43 . . 0.50 130 2JN_HA 195 ALA N 195 ALA HA -1.05 . . 0.50 131 2JN_HA 196 GLU N 196 GLU HA -0.69 . . 0.50 132 2JN_HA 197 THR N 197 THR HA 0.04 . . 0.50 133 2JN_HA 199 THR N 199 THR HA -0.54 . . 0.50 134 2JN_HA 200 LYS N 200 LYS HA -2.83 . . 0.50 135 2JN_HA 201 LYS N 201 LYS HA -1.23 . . 0.50 136 2JN_HA 202 LEU N 202 LEU HA -0.33 . . 0.50 137 2JN_HA 203 TRP N 203 TRP HA -0.62 . . 0.50 138 2JN_HA 204 SER N 204 SER HA -0.63 . . 0.50 139 2JN_HA 205 TYR N 205 TYR HA 0.43 . . 0.50 140 2JN_HA 206 ASP N 206 ASP HA -3.20 . . 0.50 141 2JN_HA 207 ILE N 207 ILE HA -0.26 . . 0.50 142 2JN_HA 208 LYS N 208 LYS HA -0.01 . . 0.50 143 2JN_HA 211 ALA N 211 ALA HA -1.82 . . 0.50 144 2JN_HA 212 LYS N 212 LYS HA 0.22 . . 0.50 145 2JN_HA 213 ILE N 213 ILE HA -1.19 . . 0.50 146 2JN_HA 214 GLU N 214 GLU HA 0.38 . . 0.50 147 2JN_HA 215 ASN N 215 ASN HA 0.23 . . 0.50 148 2JN_HA 216 LYS N 216 LYS HA -0.12 . . 0.50 149 2JN_HA 217 LYS N 217 LYS HA 0.27 . . 0.50 150 2JN_HA 218 VAL N 218 VAL HA -0.20 . . 0.50 151 2JN_HA 219 TRP N 219 TRP HA -0.39 . . 0.50 152 2JN_HA 221 HIS N 221 HIS HA 0.19 . . 0.50 153 2JN_HA 222 ILE N 222 ILE HA 0.72 . . 0.50 154 2JN_HA 226 HIS N 226 HIS HA -1.99 . . 0.50 155 2JN_HA 227 GLU N 227 GLU HA 0.66 . . 0.50 156 2JN_HA 231 ASP N 231 ASP HA -0.12 . . 0.50 157 2JN_HA 233 MET N 233 MET HA -2.60 . . 0.50 158 2JN_HA 234 ASP N 234 ASP HA -0.78 . . 0.50 159 2JN_HA 236 ASP N 236 ASP HA -3.41 . . 0.50 160 2JN_HA 238 ASP N 238 ASP HA -0.79 . . 0.50 161 2JN_HA 239 ASN N 239 ASN HA 0.69 . . 0.50 162 2JN_HA 240 ASN N 240 ASN HA -1.70 . . 0.50 163 2JN_HA 241 LEU N 241 LEU HA -0.73 . . 0.50 164 2JN_HA 242 LEU N 242 LEU HA 0.69 . . 0.50 165 2JN_HA 243 VAL N 243 VAL HA -1.04 . . 0.50 166 2JN_HA 244 ALA N 244 ALA HA -1.37 . . 0.50 167 2JN_HA 245 ASN N 245 ASN HA -0.31 . . 0.50 168 2JN_HA 246 TRP N 246 TRP HA 0.74 . . 0.50 169 2JN_HA 249 SER N 249 SER HA 0.44 . . 0.50 170 2JN_HA 250 HIS N 250 HIS HA -0.23 . . 0.50 171 2JN_HA 252 GLU N 252 GLU HA -0.32 . . 0.50 172 2JN_HA 253 VAL N 253 VAL HA -0.00 . . 0.50 173 2JN_HA 254 PHE N 254 PHE HA -2.94 . . 0.50 174 2JN_HA 257 ASP N 257 ASP HA 0.16 . . 0.50 175 2JN_HA 260 GLN N 260 GLN HA -0.69 . . 0.50 176 2JN_HA 263 MET N 263 MET HA -0.90 . . 0.50 177 2JN_HA 265 ILE N 265 ILE HA 1.42 . . 0.50 178 2JN_HA 266 ARG N 266 ARG HA -0.36 . . 0.50 179 2JN_HA 267 CYS N 267 CYS HA 0.41 . . 0.50 180 2JN_HA 269 PHE N 269 PHE HA 0.28 . . 0.50 181 2JN_HA 270 GLU N 270 GLU HA -0.19 . . 0.50 182 2JN_HA 271 LYS N 271 LYS HA 3.94 . . 0.50 183 2JN_HA 275 LEU N 275 LEU HA -0.17 . . 0.50 184 2JN_HA 276 HIS N 276 HIS HA -0.18 . . 0.50 185 2JN_HA 277 PHE N 277 PHE HA -1.33 . . 0.50 186 2JN_HA 278 LYS N 278 LYS HA -2.14 . . 0.50 187 2JN_HA 280 GLN N 280 GLN HA -1.08 . . 0.50 188 2JN_HA 281 THR N 281 THR HA -0.07 . . 0.50 189 2JN_HA 282 LYS N 282 LYS HA 0.86 . . 0.50 190 2JN_HA 283 THR N 283 THR HA -0.93 . . 0.50 191 2JN_HA 284 ILE N 284 ILE HA 0.06 . . 0.50 192 2JN_HA 285 PHE N 285 PHE HA -1.67 . . 0.50 193 2JN_HA 286 VAL N 286 VAL HA 0.66 . . 0.50 194 2JN_HA 287 THR N 287 THR HA 0.28 . . 0.50 195 2JN_HA 288 GLU N 288 GLU HA 2.40 . . 0.50 196 2JN_HA 290 GLU N 290 GLU HA -1.51 . . 0.50 197 2JN_HA 291 ASN N 291 ASN HA 2.50 . . 0.50 198 2JN_HA 292 ASN N 292 ASN HA 1.85 . . 0.50 199 2JN_HA 293 ALA N 293 ALA HA 0.84 . . 0.50 200 2JN_HA 294 VAL N 294 VAL HA -0.90 . . 0.50 201 2JN_HA 295 TRP N 295 TRP HA -0.06 . . 0.50 202 2JN_HA 296 LYS N 296 LYS HA -1.45 . . 0.50 203 2JN_HA 297 PHE N 297 PHE HA -2.48 . . 0.50 204 2JN_HA 299 TRP N 299 TRP HA 1.05 . . 0.50 205 2JN_HA 301 ARG N 301 ARG HA -2.41 . . 0.50 206 2JN_HA 302 ASN N 302 ASN HA -0.65 . . 0.50 207 2JN_HA 305 LYS N 305 LYS HA -0.07 . . 0.50 208 2JN_HA 306 GLN N 306 GLN HA -0.80 . . 0.50 209 2JN_HA 307 TYR N 307 TYR HA -0.65 . . 0.50 210 2JN_HA 308 CYS N 308 CYS HA -3.67 . . 0.50 211 2JN_HA 309 GLU N 309 GLU HA 0.65 . . 0.50 212 2JN_HA 310 THR N 310 THR HA -0.87 . . 0.50 213 2JN_HA 311 LEU N 311 LEU HA 1.19 . . 0.50 214 2JN_HA 312 LYS N 312 LYS HA 1.20 . . 0.50 215 2JN_HA 313 PHE N 313 PHE HA 1.90 . . 0.50 stop_ save_