data_16583 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2J coupling constants in Xylanase from Bacillus agaradhaerens ; _BMRB_accession_number 16583 _BMRB_flat_file_name bmr16583.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 6 stop_ loop_ _Data_type _Data_type_count "coupling constants" 977 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 15908 '1J coupling constants related to the Ca carbons in Xylanase' 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' 16584 '2J coupling constants in DFPase' 5352 '1H, 13C and 15N resonance assignment of Bacillus agaradhaerens xylanase' 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_Vuister_&_Bax_1992 _Saveframe_category citation _Citation_full . _Citation_title ; Measurement of two-bond JCOHa coupling constants in proteins uniformly enriched with 13C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1511238 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vuister G. W. . 2 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _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 401 _Page_last 405 _Year 1992 _Details . loop_ _Keyword '2JHACO measurement' stop_ save_ 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 Xylanase _Enzyme_commission_number 3.2.1.8 loop_ _Mol_system_component_name _Mol_label protein $Xylanase stop_ _System_molecular_weight 23155.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function endo-1,4-beta-D-xylan-hydrolysis stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Xylanase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Xylanase _Molecular_mass 23155.6 _Mol_thiol_state 'all free' loop_ _Biological_function endo-1,4-beta-D-xylan-hydrolysis stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MIVTDNSIGNHDGYDYEFWK DSGGSGTMILNHGGTFSAQW NNVNNILFRKGKKFNETQTH QQVGNMSINYGANFQPNGNA YLCVYGWTVDPLVEYYIVDS WGNWRPPGATPKGTITVDGG TYDIYETLRVNQPSIKGIAT FKQYWSVRRSKRTSGTISVS NHFRAWENLGMNMGKMYEVA LTVEGYQSSGSANVYSNTLR INGNPLS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 VAL 4 THR 5 ASP 6 ASN 7 SER 8 ILE 9 GLY 10 ASN 11 HIS 12 ASP 13 GLY 14 TYR 15 ASP 16 TYR 17 GLU 18 PHE 19 TRP 20 LYS 21 ASP 22 SER 23 GLY 24 GLY 25 SER 26 GLY 27 THR 28 MET 29 ILE 30 LEU 31 ASN 32 HIS 33 GLY 34 GLY 35 THR 36 PHE 37 SER 38 ALA 39 GLN 40 TRP 41 ASN 42 ASN 43 VAL 44 ASN 45 ASN 46 ILE 47 LEU 48 PHE 49 ARG 50 LYS 51 GLY 52 LYS 53 LYS 54 PHE 55 ASN 56 GLU 57 THR 58 GLN 59 THR 60 HIS 61 GLN 62 GLN 63 VAL 64 GLY 65 ASN 66 MET 67 SER 68 ILE 69 ASN 70 TYR 71 GLY 72 ALA 73 ASN 74 PHE 75 GLN 76 PRO 77 ASN 78 GLY 79 ASN 80 ALA 81 TYR 82 LEU 83 CYS 84 VAL 85 TYR 86 GLY 87 TRP 88 THR 89 VAL 90 ASP 91 PRO 92 LEU 93 VAL 94 GLU 95 TYR 96 TYR 97 ILE 98 VAL 99 ASP 100 SER 101 TRP 102 GLY 103 ASN 104 TRP 105 ARG 106 PRO 107 PRO 108 GLY 109 ALA 110 THR 111 PRO 112 LYS 113 GLY 114 THR 115 ILE 116 THR 117 VAL 118 ASP 119 GLY 120 GLY 121 THR 122 TYR 123 ASP 124 ILE 125 TYR 126 GLU 127 THR 128 LEU 129 ARG 130 VAL 131 ASN 132 GLN 133 PRO 134 SER 135 ILE 136 LYS 137 GLY 138 ILE 139 ALA 140 THR 141 PHE 142 LYS 143 GLN 144 TYR 145 TRP 146 SER 147 VAL 148 ARG 149 ARG 150 SER 151 LYS 152 ARG 153 THR 154 SER 155 GLY 156 THR 157 ILE 158 SER 159 VAL 160 SER 161 ASN 162 HIS 163 PHE 164 ARG 165 ALA 166 TRP 167 GLU 168 ASN 169 LEU 170 GLY 171 MET 172 ASN 173 MET 174 GLY 175 LYS 176 MET 177 TYR 178 GLU 179 VAL 180 ALA 181 LEU 182 THR 183 VAL 184 GLU 185 GLY 186 TYR 187 GLN 188 SER 189 SER 190 GLY 191 SER 192 ALA 193 ASN 194 VAL 195 TYR 196 SER 197 ASN 198 THR 199 LEU 200 ARG 201 ILE 202 ASN 203 GLY 204 ASN 205 PRO 206 LEU 207 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 15908 Xylanase 100.00 207 100.00 100.00 1.11e-149 PDB 1H4G "Oligosaccharide-Binding To Family 11 Xylanases: Both Covalent Intermediate And Mutant-Product Complexes Display 2,5b Conformati" 99.52 207 100.00 100.00 7.07e-149 PDB 1H4H "Oligosaccharide-Binding To Family 11 Xylanases: Both Covalent Intermediate And Mutant-Product Complexes Display 2,5b Conformati" 99.52 209 99.51 99.51 7.30e-148 PDB 1QH6 "Catalysis And Specificity In Enzymatic Glycoside Hydrolases: A 2,5b Conformation For The Glycosyl-Enzyme Intermidiate Revealed " 99.52 207 100.00 100.00 7.07e-149 PDB 1QH7 "Catalysis And Specificity In Enzymatic Glycoside Hydrolases: A 2,5b Conformation For The Glycosyl-enzyme Intermidiate Revealed " 99.52 207 100.00 100.00 7.07e-149 PDB 2F6B "Structural And Active Site Modification Studies Implicate Glu, Trp And Arg In The Activity Of Xylanase From Alkalophilic Bacill" 99.03 206 98.54 98.54 1.81e-145 GB AEP40122 "XylC1 [Bacillus sp. NCL 87-6-10]" 99.52 248 99.51 99.51 5.81e-149 GB AEP40123 "XylC2 [Bacillus sp. NCL 87-6-10]" 99.52 248 98.54 99.03 1.49e-147 GB AEP40124 "XylC3 [Bacillus sp. NCL 87-6-10]" 99.52 248 100.00 100.00 9.78e-150 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Xylanase 'Bacillus agaradhaerens' 76935 Eubacteria . Bacillus agaradhaerens 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 $Xylanase 'recombinant technology' . Escherichia coli BL21(DE3) pET3a 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 $Xylanase 1.5 mM '[U-95% 13C; U-95% 15N]' 'sodium acetate' 10 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_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'cryogenic triple-resonance z-gradient probe' save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details 'cryogenic triple-resonance z-gradient probe' 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_1 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_1 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_1 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_1 save_ save_2D_Cb-coupled_[13C,1H]-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Cb-coupled [13C,1H]-HSQC' _Sample_label $sample_1 save_ save_2D_CO-coupled_ct-[13C,1H]-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CO-coupled ct-[13C,1H]-HSQC' _Sample_label $sample_1 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; 150-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; 150-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; 28-ms 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_ save_2D_Cb-coupled_(13C_1H)-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D Cb-coupled [13C,1H]-HSQC' _BMRB_pulse_sequence_accession_number . _Details '2JHaCb measurement' save_ save_2D_CO-coupled_ct-(13C_1H)-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D CO-coupled ct-[13C,1H]-HSQC' _BMRB_pulse_sequence_accession_number . _Details ; Vuister & Bax, 1992; 2JHaCO 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 5.4 . pH pressure 1 . atm temperature 302 . 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_ 1 MET CA 2 ILE N -8.87 . . 0.50 2 2JCAN_ 2 ILE CA 3 VAL N -8.66 . . 0.50 3 2JCAN_ 3 VAL CA 4 THR N -8.44 . . 0.50 4 2JCAN_ 4 THR CA 5 ASP N -5.38 . . 0.50 5 2JCAN_ 5 ASP CA 6 ASN N -8.47 . . 0.50 6 2JCAN_ 6 ASN CA 7 SER N -9.05 . . 0.50 7 2JCAN_ 7 SER CA 8 ILE N -8.65 . . 0.50 8 2JCAN_ 8 ILE CA 9 GLY N -8.27 . . 0.50 9 2JCAN_ 9 GLY CA 10 ASN N -9.27 . . 0.50 10 2JCAN_ 10 ASN CA 11 HIS N -8.79 . . 0.50 11 2JCAN_ 11 HIS CA 12 ASP N -8.09 . . 0.50 12 2JCAN_ 12 ASP CA 13 GLY N -6.80 . . 0.50 13 2JCAN_ 13 GLY CA 14 TYR N -6.37 . . 0.50 14 2JCAN_ 14 TYR CA 15 ASP N -8.72 . . 0.50 15 2JCAN_ 15 ASP CA 16 TYR N -8.53 . . 0.50 16 2JCAN_ 16 TYR CA 17 GLU N -8.67 . . 0.50 17 2JCAN_ 17 GLU CA 18 PHE N -8.65 . . 0.50 18 2JCAN_ 18 PHE CA 19 TRP N -7.80 . . 0.50 19 2JCAN_ 19 TRP CA 20 LYS N -8.17 . . 0.50 20 2JCAN_ 20 LYS CA 21 ASP N -8.20 . . 0.50 21 2JCAN_ 21 ASP CA 22 SER N -8.31 . . 0.50 22 2JCAN_ 22 SER CA 23 GLY N -9.05 . . 0.50 23 2JCAN_ 23 GLY CA 24 GLY N -9.47 . . 0.50 24 2JCAN_ 24 GLY CA 25 SER N -9.72 . . 0.50 25 2JCAN_ 25 SER CA 26 GLY N -8.99 . . 0.50 26 2JCAN_ 26 GLY CA 27 THR N -10.11 . . 0.50 27 2JCAN_ 27 THR CA 28 MET N -8.08 . . 0.50 28 2JCAN_ 28 MET CA 29 ILE N -8.91 . . 0.50 29 2JCAN_ 29 ILE CA 30 LEU N -8.06 . . 0.50 30 2JCAN_ 30 LEU CA 31 ASN N -8.95 . . 0.50 31 2JCAN_ 31 ASN CA 32 HIS N -8.70 . . 0.50 32 2JCAN_ 32 HIS CA 33 GLY N -9.04 . . 0.50 33 2JCAN_ 33 GLY CA 34 GLY N -9.34 . . 0.50 34 2JCAN_ 34 GLY CA 35 THR N -6.26 . . 0.50 35 2JCAN_ 35 THR CA 36 PHE N -8.43 . . 0.50 36 2JCAN_ 36 PHE CA 37 SER N -8.72 . . 0.50 37 2JCAN_ 37 SER CA 38 ALA N -8.32 . . 0.50 38 2JCAN_ 38 ALA CA 39 GLN N -9.04 . . 0.50 39 2JCAN_ 39 GLN CA 40 TRP N -8.36 . . 0.50 40 2JCAN_ 40 TRP CA 41 ASN N -8.98 . . 0.50 41 2JCAN_ 41 ASN CA 42 ASN N -8.59 . . 0.50 42 2JCAN_ 42 ASN CA 43 VAL N -7.11 . . 0.50 43 2JCAN_ 43 VAL CA 44 ASN N -8.82 . . 0.50 44 2JCAN_ 44 ASN CA 45 ASN N -7.10 . . 0.50 45 2JCAN_ 45 ASN CA 46 ILE N -9.58 . . 0.50 46 2JCAN_ 46 ILE CA 47 LEU N -8.56 . . 0.50 47 2JCAN_ 47 LEU CA 48 PHE N -9.54 . . 0.50 48 2JCAN_ 48 PHE CA 49 ARG N -8.35 . . 0.50 49 2JCAN_ 49 ARG CA 50 LYS N -9.35 . . 0.50 50 2JCAN_ 50 LYS CA 51 GLY N -8.90 . . 0.50 51 2JCAN_ 51 GLY CA 52 LYS N -9.30 . . 0.50 52 2JCAN_ 52 LYS CA 53 LYS N -8.79 . . 0.50 53 2JCAN_ 53 LYS CA 54 PHE N -8.68 . . 0.50 54 2JCAN_ 54 PHE CA 55 ASN N -8.43 . . 0.50 55 2JCAN_ 55 ASN CA 56 GLU N -6.18 . . 0.50 56 2JCAN_ 56 GLU CA 57 THR N -6.02 . . 0.50 57 2JCAN_ 57 THR CA 58 GLN N -5.30 . . 0.50 58 2JCAN_ 58 GLN CA 59 THR N -8.36 . . 0.50 59 2JCAN_ 59 THR CA 60 HIS N -7.78 . . 0.50 60 2JCAN_ 60 HIS CA 61 GLN N -5.88 . . 0.50 61 2JCAN_ 61 GLN CA 62 GLN N -5.91 . . 0.50 62 2JCAN_ 62 GLN CA 63 VAL N -6.32 . . 0.50 63 2JCAN_ 63 VAL CA 64 GLY N -6.40 . . 0.50 64 2JCAN_ 64 GLY CA 65 ASN N -10.34 . . 0.50 65 2JCAN_ 65 ASN CA 66 MET N -8.60 . . 0.50 66 2JCAN_ 66 MET CA 67 SER N -9.35 . . 0.50 67 2JCAN_ 67 SER CA 68 ILE N -8.36 . . 0.50 68 2JCAN_ 68 ILE CA 69 ASN N -8.14 . . 0.50 69 2JCAN_ 69 ASN CA 70 TYR N -8.30 . . 0.50 70 2JCAN_ 70 TYR CA 71 GLY N -8.71 . . 0.50 71 2JCAN_ 71 GLY CA 72 ALA N -9.33 . . 0.50 72 2JCAN_ 72 ALA CA 73 ASN N -9.29 . . 0.50 73 2JCAN_ 73 ASN CA 74 PHE N -8.23 . . 0.50 74 2JCAN_ 74 PHE CA 75 GLN N -8.91 . . 0.50 75 2JCAN_ 76 PRO CA 77 ASN N -9.35 . . 0.50 76 2JCAN_ 77 ASN CA 78 GLY N -8.31 . . 0.50 77 2JCAN_ 78 GLY CA 79 ASN N -9.12 . . 0.50 78 2JCAN_ 79 ASN CA 80 ALA N -8.64 . . 0.50 79 2JCAN_ 80 ALA CA 81 TYR N -8.88 . . 0.50 80 2JCAN_ 81 TYR CA 82 LEU N -9.32 . . 0.50 81 2JCAN_ 82 LEU CA 83 CYS N -7.98 . . 0.50 82 2JCAN_ 83 CYS CA 84 VAL N -8.73 . . 0.50 83 2JCAN_ 84 VAL CA 85 TYR N -7.67 . . 0.50 84 2JCAN_ 85 TYR CA 86 GLY N -8.28 . . 0.50 85 2JCAN_ 86 GLY CA 87 TRP N -9.24 . . 0.50 86 2JCAN_ 87 TRP CA 88 THR N -8.44 . . 0.50 87 2JCAN_ 88 THR CA 89 VAL N -8.50 . . 0.50 88 2JCAN_ 89 VAL CA 90 ASP N -8.50 . . 0.50 89 2JCAN_ 91 PRO CA 92 LEU N -9.57 . . 0.50 90 2JCAN_ 92 LEU CA 93 VAL N -8.33 . . 0.50 91 2JCAN_ 93 VAL CA 94 GLU N -7.88 . . 0.50 92 2JCAN_ 94 GLU CA 95 TYR N -7.98 . . 0.50 93 2JCAN_ 95 TYR CA 96 TYR N -9.81 . . 0.50 94 2JCAN_ 96 TYR CA 97 ILE N -8.95 . . 0.50 95 2JCAN_ 97 ILE CA 98 VAL N -7.58 . . 0.50 96 2JCAN_ 98 VAL CA 99 ASP N -8.20 . . 0.50 97 2JCAN_ 99 ASP CA 100 SER N -6.76 . . 0.50 98 2JCAN_ 100 SER CA 101 TRP N -7.62 . . 0.50 99 2JCAN_ 101 TRP CA 102 GLY N -8.42 . . 0.50 100 2JCAN_ 102 GLY CA 103 ASN N -8.57 . . 0.50 101 2JCAN_ 103 ASN CA 104 TRP N -6.42 . . 0.50 102 2JCAN_ 104 TRP CA 105 ARG N -8.15 . . 0.50 103 2JCAN_ 107 PRO CA 108 GLY N -5.75 . . 0.50 104 2JCAN_ 108 GLY CA 109 ALA N -6.84 . . 0.50 105 2JCAN_ 109 ALA CA 110 THR N -8.88 . . 0.50 106 2JCAN_ 111 PRO CA 112 LYS N -9.10 . . 0.50 107 2JCAN_ 112 LYS CA 113 GLY N -6.14 . . 0.50 108 2JCAN_ 113 GLY CA 114 THR N -9.29 . . 0.50 109 2JCAN_ 114 THR CA 115 ILE N -8.22 . . 0.50 110 2JCAN_ 115 ILE CA 116 THR N -8.07 . . 0.50 111 2JCAN_ 116 THR CA 117 VAL N -7.64 . . 0.50 112 2JCAN_ 117 VAL CA 118 ASP N -8.21 . . 0.50 113 2JCAN_ 118 ASP CA 119 GLY N -6.73 . . 0.50 114 2JCAN_ 119 GLY CA 120 GLY N -6.53 . . 0.50 115 2JCAN_ 120 GLY CA 121 THR N -9.99 . . 0.50 116 2JCAN_ 121 THR CA 122 TYR N -8.51 . . 0.50 117 2JCAN_ 122 TYR CA 123 ASP N -8.26 . . 0.50 118 2JCAN_ 123 ASP CA 124 ILE N -9.30 . . 0.50 119 2JCAN_ 124 ILE CA 125 TYR N -8.05 . . 0.50 120 2JCAN_ 125 TYR CA 126 GLU N -8.69 . . 0.50 121 2JCAN_ 126 GLU CA 127 THR N -8.45 . . 0.50 122 2JCAN_ 127 THR CA 128 LEU N -8.18 . . 0.50 123 2JCAN_ 128 LEU CA 129 ARG N -8.40 . . 0.50 124 2JCAN_ 129 ARG CA 130 VAL N -8.54 . . 0.50 125 2JCAN_ 130 VAL CA 131 ASN N -7.93 . . 0.50 126 2JCAN_ 131 ASN CA 132 GLN N -7.21 . . 0.50 127 2JCAN_ 133 PRO CA 134 SER N -9.97 . . 0.50 128 2JCAN_ 135 ILE CA 136 LYS N -5.56 . . 0.50 129 2JCAN_ 136 LYS CA 137 GLY N -6.57 . . 0.50 130 2JCAN_ 137 GLY CA 138 ILE N -8.92 . . 0.50 131 2JCAN_ 138 ILE CA 139 ALA N -7.70 . . 0.50 132 2JCAN_ 139 ALA CA 140 THR N -9.22 . . 0.50 133 2JCAN_ 140 THR CA 141 PHE N -8.04 . . 0.50 134 2JCAN_ 141 PHE CA 142 LYS N -8.99 . . 0.50 135 2JCAN_ 142 LYS CA 143 GLN N -9.09 . . 0.50 136 2JCAN_ 143 GLN CA 144 TYR N -8.42 . . 0.50 137 2JCAN_ 144 TYR CA 145 TRP N -9.25 . . 0.50 138 2JCAN_ 145 TRP CA 146 SER N -8.80 . . 0.50 139 2JCAN_ 146 SER CA 147 VAL N -7.93 . . 0.50 140 2JCAN_ 147 VAL CA 148 ARG N -7.78 . . 0.50 141 2JCAN_ 148 ARG CA 149 ARG N -8.70 . . 0.50 142 2JCAN_ 149 ARG CA 150 SER N -5.86 . . 0.50 143 2JCAN_ 151 LYS CA 152 ARG N -8.70 . . 0.50 144 2JCAN_ 152 ARG CA 153 THR N -9.25 . . 0.50 145 2JCAN_ 153 THR CA 154 SER N -5.69 . . 0.50 146 2JCAN_ 154 SER CA 155 GLY N -8.72 . . 0.50 147 2JCAN_ 155 GLY CA 156 THR N -9.77 . . 0.50 148 2JCAN_ 156 THR CA 157 ILE N -8.25 . . 0.50 149 2JCAN_ 157 ILE CA 158 SER N -7.84 . . 0.50 150 2JCAN_ 158 SER CA 159 VAL N -6.81 . . 0.50 151 2JCAN_ 159 VAL CA 160 SER N -6.18 . . 0.50 152 2JCAN_ 160 SER CA 161 ASN N -5.86 . . 0.50 153 2JCAN_ 161 ASN CA 162 HIS N -6.13 . . 0.50 154 2JCAN_ 162 HIS CA 163 PHE N -6.48 . . 0.50 155 2JCAN_ 163 PHE CA 164 ARG N -6.59 . . 0.50 156 2JCAN_ 164 ARG CA 165 ALA N -5.95 . . 0.50 157 2JCAN_ 165 ALA CA 166 TRP N -6.32 . . 0.50 158 2JCAN_ 166 TRP CA 167 GLU N -6.29 . . 0.50 159 2JCAN_ 167 GLU CA 168 ASN N -5.88 . . 0.50 160 2JCAN_ 168 ASN CA 169 LEU N -6.31 . . 0.50 161 2JCAN_ 169 LEU CA 170 GLY N -6.17 . . 0.50 162 2JCAN_ 170 GLY CA 171 MET N -6.08 . . 0.50 163 2JCAN_ 171 MET CA 172 ASN N -8.61 . . 0.50 164 2JCAN_ 172 ASN CA 173 MET N -9.24 . . 0.50 165 2JCAN_ 173 MET CA 174 GLY N -9.74 . . 0.50 166 2JCAN_ 174 GLY CA 175 LYS N -9.79 . . 0.50 167 2JCAN_ 175 LYS CA 176 MET N -8.34 . . 0.50 168 2JCAN_ 176 MET CA 177 TYR N -9.30 . . 0.50 169 2JCAN_ 177 TYR CA 178 GLU N -6.36 . . 0.50 170 2JCAN_ 178 GLU CA 179 VAL N -8.32 . . 0.50 171 2JCAN_ 179 VAL CA 180 ALA N -8.02 . . 0.50 172 2JCAN_ 180 ALA CA 181 LEU N -8.54 . . 0.50 173 2JCAN_ 181 LEU CA 182 THR N -9.15 . . 0.50 174 2JCAN_ 182 THR CA 183 VAL N -8.81 . . 0.50 175 2JCAN_ 183 VAL CA 184 GLU N -8.35 . . 0.50 176 2JCAN_ 184 GLU CA 185 GLY N -9.10 . . 0.50 177 2JCAN_ 185 GLY CA 186 TYR N -9.49 . . 0.50 178 2JCAN_ 186 TYR CA 187 GLN N -8.36 . . 0.50 179 2JCAN_ 187 GLN CA 188 SER N -6.46 . . 0.50 180 2JCAN_ 188 SER CA 189 SER N -8.88 . . 0.50 181 2JCAN_ 189 SER CA 190 GLY N -7.93 . . 0.50 182 2JCAN_ 190 GLY CA 191 SER N -9.11 . . 0.50 183 2JCAN_ 191 SER CA 192 ALA N -8.55 . . 0.50 184 2JCAN_ 192 ALA CA 193 ASN N -8.84 . . 0.50 185 2JCAN_ 193 ASN CA 194 VAL N -8.12 . . 0.50 186 2JCAN_ 194 VAL CA 195 TYR N -7.49 . . 0.50 187 2JCAN_ 195 TYR CA 196 SER N -5.99 . . 0.50 188 2JCAN_ 196 SER CA 197 ASN N -8.10 . . 0.50 189 2JCAN_ 197 ASN CA 198 THR N -8.65 . . 0.50 190 2JCAN_ 198 THR CA 199 LEU N -7.73 . . 0.50 191 2JCAN_ 199 LEU CA 200 ARG N -8.99 . . 0.50 192 2JCAN_ 200 ARG CA 201 ILE N -8.77 . . 0.50 193 2JCAN_ 201 ILE CA 202 ASN N -7.60 . . 0.50 194 2JCAN_ 202 ASN CA 203 GLY N -7.21 . . 0.50 195 2JCAN_ 203 GLY CA 204 ASN N -6.51 . . 0.50 196 2JCAN_ 205 PRO CA 206 LEU N -8.67 . . 0.50 197 2JCAN_ 206 LEU CA 207 SER N -7.55 . . 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 950 _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 2 ILE H 2 ILE CA 1.70 . . 0.50 2 2JHNCA 3 VAL H 3 VAL CA 1.43 . . 0.50 3 2JHNCA 4 THR H 4 THR CA 0.71 . . 0.50 4 2JHNCA 5 ASP H 5 ASP CA 1.25 . . 0.50 5 2JHNCA 6 ASN H 6 ASN CA 2.63 . . 0.50 6 2JHNCA 7 SER H 7 SER CA 0.81 . . 0.50 7 2JHNCA 8 ILE H 8 ILE CA -0.53 . . 0.50 8 2JHNCA 9 GLY H 9 GLY CA 0.49 . . 0.50 9 2JHNCA 10 ASN H 10 ASN CA 1.82 . . 0.50 10 2JHNCA 11 HIS H 11 HIS CA 1.44 . . 0.50 11 2JHNCA 12 ASP H 12 ASP CA 0.40 . . 0.50 12 2JHNCA 13 GLY H 13 GLY CA 3.18 . . 0.50 13 2JHNCA 14 TYR H 14 TYR CA 1.37 . . 0.50 14 2JHNCA 15 ASP H 15 ASP CA 2.02 . . 0.50 15 2JHNCA 16 TYR H 16 TYR CA 1.04 . . 0.50 16 2JHNCA 17 GLU H 17 GLU CA 0.92 . . 0.50 17 2JHNCA 18 PHE H 18 PHE CA 1.49 . . 0.50 18 2JHNCA 19 TRP H 19 TRP CA 2.14 . . 0.50 19 2JHNCA 20 LYS H 20 LYS CA 1.06 . . 0.50 20 2JHNCA 21 ASP H 21 ASP CA 1.03 . . 0.50 21 2JHNCA 22 SER H 22 SER CA 3.27 . . 0.50 22 2JHNCA 23 GLY H 23 GLY CA 1.51 . . 0.50 23 2JHNCA 24 GLY H 24 GLY CA 3.10 . . 0.50 24 2JHNCA 25 SER H 25 SER CA 0.89 . . 0.50 25 2JHNCA 26 GLY H 26 GLY CA 1.40 . . 0.50 26 2JHNCA 27 THR H 27 THR CA 0.54 . . 0.50 27 2JHNCA 28 MET H 28 MET CA 1.16 . . 0.50 28 2JHNCA 29 ILE H 29 ILE CA 2.38 . . 0.50 29 2JHNCA 30 LEU H 30 LEU CA 1.46 . . 0.50 30 2JHNCA 31 ASN H 31 ASN CA 0.84 . . 0.50 31 2JHNCA 32 HIS H 32 HIS CA 3.28 . . 0.50 32 2JHNCA 33 GLY H 33 GLY CA 1.05 . . 0.50 33 2JHNCA 34 GLY H 34 GLY CA 2.93 . . 0.50 34 2JHNCA 35 THR H 35 THR CA 2.17 . . 0.50 35 2JHNCA 36 PHE H 36 PHE CA 2.87 . . 0.50 36 2JHNCA 37 SER H 37 SER CA 0.91 . . 0.50 37 2JHNCA 38 ALA H 38 ALA CA 1.81 . . 0.50 38 2JHNCA 39 GLN H 39 GLN CA 1.51 . . 0.50 39 2JHNCA 40 TRP H 40 TRP CA 0.44 . . 0.50 40 2JHNCA 41 ASN H 41 ASN CA 1.88 . . 0.50 41 2JHNCA 42 ASN H 42 ASN CA 2.66 . . 0.50 42 2JHNCA 43 VAL H 43 VAL CA 3.14 . . 0.50 43 2JHNCA 44 ASN H 44 ASN CA 0.78 . . 0.50 44 2JHNCA 45 ASN H 45 ASN CA 0.50 . . 0.50 45 2JHNCA 46 ILE H 46 ILE CA 1.17 . . 0.50 46 2JHNCA 47 LEU H 47 LEU CA 1.20 . . 0.50 47 2JHNCA 48 PHE H 48 PHE CA 1.47 . . 0.50 48 2JHNCA 50 LYS H 50 LYS CA 2.17 . . 0.50 49 2JHNCA 51 GLY H 51 GLY CA 1.69 . . 0.50 50 2JHNCA 52 LYS H 52 LYS CA 1.33 . . 0.50 51 2JHNCA 53 LYS H 53 LYS CA 1.43 . . 0.50 52 2JHNCA 54 PHE H 54 PHE CA 0.78 . . 0.50 53 2JHNCA 55 ASN H 55 ASN CA 0.92 . . 0.50 54 2JHNCA 56 GLU H 56 GLU CA 2.79 . . 0.50 55 2JHNCA 57 THR H 57 THR CA 1.02 . . 0.50 56 2JHNCA 58 GLN H 58 GLN CA 1.17 . . 0.50 57 2JHNCA 59 THR H 59 THR CA 2.26 . . 0.50 58 2JHNCA 60 HIS H 60 HIS CA 4.22 . . 0.50 59 2JHNCA 61 GLN H 61 GLN CA 3.64 . . 0.50 60 2JHNCA 62 GLN H 62 GLN CA 1.79 . . 0.50 61 2JHNCA 63 VAL H 63 VAL CA 3.07 . . 0.50 62 2JHNCA 64 GLY H 64 GLY CA 1.15 . . 0.50 63 2JHNCA 65 ASN H 65 ASN CA 1.81 . . 0.50 64 2JHNCA 66 MET H 66 MET CA 3.28 . . 0.50 65 2JHNCA 67 SER H 67 SER CA 1.25 . . 0.50 66 2JHNCA 68 ILE H 68 ILE CA 0.77 . . 0.50 67 2JHNCA 69 ASN H 69 ASN CA 1.33 . . 0.50 68 2JHNCA 70 TYR H 70 TYR CA 3.00 . . 0.50 69 2JHNCA 71 GLY H 71 GLY CA 1.79 . . 0.50 70 2JHNCA 72 ALA H 72 ALA CA 1.36 . . 0.50 71 2JHNCA 73 ASN H 73 ASN CA 1.61 . . 0.50 72 2JHNCA 74 PHE H 74 PHE CA 2.73 . . 0.50 73 2JHNCA 75 GLN H 75 GLN CA 3.43 . . 0.50 74 2JHNCA 77 ASN H 77 ASN CA 1.61 . . 0.50 75 2JHNCA 78 GLY H 78 GLY CA 2.53 . . 0.50 76 2JHNCA 79 ASN H 79 ASN CA 3.17 . . 0.50 77 2JHNCA 80 ALA H 80 ALA CA 1.42 . . 0.50 78 2JHNCA 81 TYR H 81 TYR CA 2.19 . . 0.50 79 2JHNCA 82 LEU H 82 LEU CA 0.90 . . 0.50 80 2JHNCA 83 CYS H 83 CYS CA 0.63 . . 0.50 81 2JHNCA 84 VAL H 84 VAL CA 1.83 . . 0.50 82 2JHNCA 85 TYR H 85 TYR CA 0.35 . . 0.50 83 2JHNCA 86 GLY H 86 GLY CA 2.15 . . 0.50 84 2JHNCA 87 TRP H 87 TRP CA -4.36 . . 0.50 85 2JHNCA 88 THR H 88 THR CA 0.79 . . 0.50 86 2JHNCA 89 VAL H 89 VAL CA 2.08 . . 0.50 87 2JHNCA 92 LEU H 92 LEU CA 1.22 . . 0.50 88 2JHNCA 93 VAL H 93 VAL CA 2.30 . . 0.50 89 2JHNCA 94 GLU H 94 GLU CA 1.84 . . 0.50 90 2JHNCA 95 TYR H 95 TYR CA 0.60 . . 0.50 91 2JHNCA 96 TYR H 96 TYR CA 2.60 . . 0.50 92 2JHNCA 97 ILE H 97 ILE CA 2.06 . . 0.50 93 2JHNCA 98 VAL H 98 VAL CA 2.21 . . 0.50 94 2JHNCA 99 ASP H 99 ASP CA 3.61 . . 0.50 95 2JHNCA 100 SER H 100 SER CA 1.62 . . 0.50 96 2JHNCA 101 TRP H 101 TRP CA 1.11 . . 0.50 97 2JHNCA 102 GLY H 102 GLY CA 3.57 . . 0.50 98 2JHNCA 103 ASN H 103 ASN CA 2.57 . . 0.50 99 2JHNCA 105 ARG H 105 ARG CA 2.32 . . 0.50 100 2JHNCA 108 GLY H 108 GLY CA 2.66 . . 0.50 101 2JHNCA 109 ALA H 109 ALA CA 1.68 . . 0.50 102 2JHNCA 110 THR H 110 THR CA 2.26 . . 0.50 103 2JHNCA 112 LYS H 112 LYS CA 1.94 . . 0.50 104 2JHNCA 113 GLY H 113 GLY CA 1.95 . . 0.50 105 2JHNCA 114 THR H 114 THR CA 0.78 . . 0.50 106 2JHNCA 115 ILE H 115 ILE CA 1.84 . . 0.50 107 2JHNCA 116 THR H 116 THR CA 2.17 . . 0.50 108 2JHNCA 117 VAL H 117 VAL CA 3.22 . . 0.50 109 2JHNCA 118 ASP H 118 ASP CA 4.13 . . 0.50 110 2JHNCA 119 GLY H 119 GLY CA 2.06 . . 0.50 111 2JHNCA 120 GLY H 120 GLY CA 1.15 . . 0.50 112 2JHNCA 121 THR H 121 THR CA 1.11 . . 0.50 113 2JHNCA 122 TYR H 122 TYR CA 0.96 . . 0.50 114 2JHNCA 123 ASP H 123 ASP CA 0.75 . . 0.50 115 2JHNCA 124 ILE H 124 ILE CA 0.44 . . 0.50 116 2JHNCA 125 TYR H 125 TYR CA 1.83 . . 0.50 117 2JHNCA 126 GLU H 126 GLU CA 1.05 . . 0.50 118 2JHNCA 127 THR H 127 THR CA 0.20 . . 0.50 119 2JHNCA 128 LEU H 128 LEU CA 1.21 . . 0.50 120 2JHNCA 129 ARG H 129 ARG CA 1.58 . . 0.50 121 2JHNCA 131 ASN H 131 ASN CA 2.39 . . 0.50 122 2JHNCA 132 GLN H 132 GLN CA 1.13 . . 0.50 123 2JHNCA 134 SER H 134 SER CA 2.02 . . 0.50 124 2JHNCA 136 LYS H 136 LYS CA 1.18 . . 0.50 125 2JHNCA 137 GLY H 137 GLY CA 1.71 . . 0.50 126 2JHNCA 138 ILE H 138 ILE CA 2.36 . . 0.50 127 2JHNCA 139 ALA H 139 ALA CA 1.04 . . 0.50 128 2JHNCA 140 THR H 140 THR CA 0.81 . . 0.50 129 2JHNCA 141 PHE H 141 PHE CA 1.93 . . 0.50 130 2JHNCA 142 LYS H 142 LYS CA 0.96 . . 0.50 131 2JHNCA 143 GLN H 143 GLN CA 2.45 . . 0.50 132 2JHNCA 144 TYR H 144 TYR CA 2.21 . . 0.50 133 2JHNCA 145 TRP H 145 TRP CA 1.76 . . 0.50 134 2JHNCA 146 SER H 146 SER CA 1.30 . . 0.50 135 2JHNCA 147 VAL H 147 VAL CA 2.32 . . 0.50 136 2JHNCA 148 ARG H 148 ARG CA 2.12 . . 0.50 137 2JHNCA 149 ARG H 149 ARG CA 1.25 . . 0.50 138 2JHNCA 152 ARG H 152 ARG CA 2.23 . . 0.50 139 2JHNCA 153 THR H 153 THR CA 1.93 . . 0.50 140 2JHNCA 154 SER H 154 SER CA 1.41 . . 0.50 141 2JHNCA 155 GLY H 155 GLY CA 1.81 . . 0.50 142 2JHNCA 156 THR H 156 THR CA 1.32 . . 0.50 143 2JHNCA 157 ILE H 157 ILE CA 0.73 . . 0.50 144 2JHNCA 158 SER H 158 SER CA 3.73 . . 0.50 145 2JHNCA 159 VAL H 159 VAL CA 3.77 . . 0.50 146 2JHNCA 160 SER H 160 SER CA 3.36 . . 0.50 147 2JHNCA 161 ASN H 161 ASN CA 1.51 . . 0.50 148 2JHNCA 162 HIS H 162 HIS CA 3.18 . . 0.50 149 2JHNCA 163 PHE H 163 PHE CA 3.47 . . 0.50 150 2JHNCA 164 ARG H 164 ARG CA 3.64 . . 0.50 151 2JHNCA 165 ALA H 165 ALA CA 2.55 . . 0.50 152 2JHNCA 166 TRP H 166 TRP CA 2.16 . . 0.50 153 2JHNCA 167 GLU H 167 GLU CA 4.76 . . 0.50 154 2JHNCA 168 ASN H 168 ASN CA 2.69 . . 0.50 155 2JHNCA 169 LEU H 169 LEU CA 2.31 . . 0.50 156 2JHNCA 170 GLY H 170 GLY CA 2.16 . . 0.50 157 2JHNCA 171 MET H 171 MET CA 1.35 . . 0.50 158 2JHNCA 172 ASN H 172 ASN CA 2.27 . . 0.50 159 2JHNCA 173 MET H 173 MET CA 2.71 . . 0.50 160 2JHNCA 174 GLY H 174 GLY CA 2.37 . . 0.50 161 2JHNCA 175 LYS H 175 LYS CA 1.98 . . 0.50 162 2JHNCA 176 MET H 176 MET CA 4.40 . . 0.50 163 2JHNCA 177 TYR H 177 TYR CA 1.04 . . 0.50 164 2JHNCA 178 GLU H 178 GLU CA 0.88 . . 0.50 165 2JHNCA 179 VAL H 179 VAL CA 1.35 . . 0.50 166 2JHNCA 180 ALA H 180 ALA CA 2.59 . . 0.50 167 2JHNCA 181 LEU H 181 LEU CA 1.18 . . 0.50 168 2JHNCA 182 THR H 182 THR CA 0.16 . . 0.50 169 2JHNCA 183 VAL H 183 VAL CA 1.22 . . 0.50 170 2JHNCA 184 GLU H 184 GLU CA 1.61 . . 0.50 171 2JHNCA 185 GLY H 185 GLY CA 1.57 . . 0.50 172 2JHNCA 186 TYR H 186 TYR CA 0.90 . . 0.50 173 2JHNCA 187 GLN H 187 GLN CA 4.03 . . 0.50 174 2JHNCA 188 SER H 188 SER CA 2.21 . . 0.50 175 2JHNCA 189 SER H 189 SER CA 0.99 . . 0.50 176 2JHNCA 190 GLY H 190 GLY CA 2.85 . . 0.50 177 2JHNCA 191 SER H 191 SER CA 2.64 . . 0.50 178 2JHNCA 192 ALA H 192 ALA CA 3.45 . . 0.50 179 2JHNCA 193 ASN H 193 ASN CA 0.75 . . 0.50 180 2JHNCA 194 VAL H 194 VAL CA 1.73 . . 0.50 181 2JHNCA 195 TYR H 195 TYR CA 3.53 . . 0.50 182 2JHNCA 196 SER H 196 SER CA 2.03 . . 0.50 183 2JHNCA 197 ASN H 197 ASN CA 2.62 . . 0.50 184 2JHNCA 198 THR H 198 THR CA 1.95 . . 0.50 185 2JHNCA 199 LEU H 199 LEU CA 3.99 . . 0.50 186 2JHNCA 200 ARG H 200 ARG CA 1.67 . . 0.50 187 2JHNCA 201 ILE H 201 ILE CA 2.33 . . 0.50 188 2JHNCA 202 ASN H 202 ASN CA 3.79 . . 0.50 189 2JHNCA 203 GLY H 203 GLY CA 2.43 . . 0.50 190 2JHNCA 204 ASN H 204 ASN CA 1.50 . . 0.50 191 2JHNCA 206 LEU H 206 LEU CA 4.06 . . 0.50 192 2JHNCA 207 SER H 207 SER CA 2.81 . . 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 950 _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 1 MET C 2 ILE H 4.16 . . 0.50 2 2JCOHN 2 ILE C 3 VAL H 4.32 . . 0.50 3 2JCOHN 3 VAL C 4 THR H 3.90 . . 0.50 4 2JCOHN 4 THR C 5 ASP H 4.46 . . 0.50 5 2JCOHN 5 ASP C 6 ASN H 3.26 . . 0.50 6 2JCOHN 6 ASN C 7 SER H 4.08 . . 0.50 7 2JCOHN 7 SER C 8 ILE H 3.69 . . 0.50 8 2JCOHN 8 ILE C 9 GLY H 4.62 . . 0.50 9 2JCOHN 9 GLY C 10 ASN H 3.70 . . 0.50 10 2JCOHN 10 ASN C 11 HIS H 3.78 . . 0.50 11 2JCOHN 11 HIS C 12 ASP H 4.48 . . 0.50 12 2JCOHN 12 ASP C 13 GLY H 4.79 . . 0.50 13 2JCOHN 13 GLY C 14 TYR H 4.53 . . 0.50 14 2JCOHN 14 TYR C 15 ASP H 3.65 . . 0.50 15 2JCOHN 15 ASP C 16 TYR H 3.88 . . 0.50 16 2JCOHN 16 TYR C 17 GLU H 4.09 . . 0.50 17 2JCOHN 17 GLU C 18 PHE H 4.25 . . 0.50 18 2JCOHN 18 PHE C 19 TRP H 4.20 . . 0.50 19 2JCOHN 19 TRP C 20 LYS H 3.36 . . 0.50 20 2JCOHN 20 LYS C 21 ASP H 4.25 . . 0.50 21 2JCOHN 21 ASP C 22 SER H 4.50 . . 0.50 22 2JCOHN 22 SER C 23 GLY H 4.43 . . 0.50 23 2JCOHN 23 GLY C 24 GLY H 5.09 . . 0.50 24 2JCOHN 24 GLY C 25 SER H 4.16 . . 0.50 25 2JCOHN 25 SER C 26 GLY H 4.03 . . 0.50 26 2JCOHN 26 GLY C 27 THR H 3.81 . . 0.50 27 2JCOHN 27 THR C 28 MET H 3.95 . . 0.50 28 2JCOHN 28 MET C 29 ILE H 3.88 . . 0.50 29 2JCOHN 29 ILE C 30 LEU H 3.79 . . 0.50 30 2JCOHN 30 LEU C 31 ASN H 4.64 . . 0.50 31 2JCOHN 31 ASN C 32 HIS H 3.59 . . 0.50 32 2JCOHN 32 HIS C 33 GLY H 4.39 . . 0.50 33 2JCOHN 33 GLY C 34 GLY H 4.27 . . 0.50 34 2JCOHN 34 GLY C 35 THR H 3.73 . . 0.50 35 2JCOHN 35 THR C 36 PHE H 4.30 . . 0.50 36 2JCOHN 36 PHE C 37 SER H 3.47 . . 0.50 37 2JCOHN 37 SER C 38 ALA H 3.93 . . 0.50 38 2JCOHN 38 ALA C 39 GLN H 4.35 . . 0.50 39 2JCOHN 39 GLN C 40 TRP H 4.47 . . 0.50 40 2JCOHN 40 TRP C 41 ASN H 4.06 . . 0.50 41 2JCOHN 41 ASN C 42 ASN H 3.61 . . 0.50 42 2JCOHN 42 ASN C 43 VAL H 3.51 . . 0.50 43 2JCOHN 43 VAL C 44 ASN H 3.85 . . 0.50 44 2JCOHN 44 ASN C 45 ASN H 4.23 . . 0.50 45 2JCOHN 45 ASN C 46 ILE H 4.55 . . 0.50 46 2JCOHN 46 ILE C 47 LEU H 4.37 . . 0.50 47 2JCOHN 47 LEU C 48 PHE H 3.81 . . 0.50 48 2JCOHN 49 ARG C 50 LYS H 3.89 . . 0.50 49 2JCOHN 50 LYS C 51 GLY H 3.90 . . 0.50 50 2JCOHN 51 GLY C 52 LYS H 3.72 . . 0.50 51 2JCOHN 52 LYS C 53 LYS H 3.68 . . 0.50 52 2JCOHN 53 LYS C 54 PHE H 3.41 . . 0.50 53 2JCOHN 54 PHE C 55 ASN H 4.04 . . 0.50 54 2JCOHN 55 ASN C 56 GLU H 3.79 . . 0.50 55 2JCOHN 56 GLU C 57 THR H 3.14 . . 0.50 56 2JCOHN 57 THR C 58 GLN H 4.89 . . 0.50 57 2JCOHN 58 GLN C 59 THR H 3.72 . . 0.50 58 2JCOHN 59 THR C 60 HIS H 3.91 . . 0.50 59 2JCOHN 60 HIS C 61 GLN H 4.59 . . 0.50 60 2JCOHN 61 GLN C 62 GLN H 4.08 . . 0.50 61 2JCOHN 62 GLN C 63 VAL H 3.96 . . 0.50 62 2JCOHN 63 VAL C 64 GLY H 4.00 . . 0.50 63 2JCOHN 64 GLY C 65 ASN H 3.92 . . 0.50 64 2JCOHN 65 ASN C 66 MET H 3.96 . . 0.50 65 2JCOHN 66 MET C 67 SER H 4.66 . . 0.50 66 2JCOHN 67 SER C 68 ILE H 4.28 . . 0.50 67 2JCOHN 68 ILE C 69 ASN H 3.97 . . 0.50 68 2JCOHN 69 ASN C 70 TYR H 4.24 . . 0.50 69 2JCOHN 70 TYR C 71 GLY H 4.04 . . 0.50 70 2JCOHN 71 GLY C 72 ALA H 3.94 . . 0.50 71 2JCOHN 72 ALA C 73 ASN H 3.09 . . 0.50 72 2JCOHN 73 ASN C 74 PHE H 3.74 . . 0.50 73 2JCOHN 74 PHE C 75 GLN H 4.54 . . 0.50 74 2JCOHN 76 PRO C 77 ASN H 4.71 . . 0.50 75 2JCOHN 77 ASN C 78 GLY H 4.34 . . 0.50 76 2JCOHN 78 GLY C 79 ASN H 3.81 . . 0.50 77 2JCOHN 79 ASN C 80 ALA H 4.92 . . 0.50 78 2JCOHN 80 ALA C 81 TYR H 3.46 . . 0.50 79 2JCOHN 81 TYR C 82 LEU H 4.43 . . 0.50 80 2JCOHN 82 LEU C 83 CYS H 4.48 . . 0.50 81 2JCOHN 83 CYS C 84 VAL H 2.55 . . 0.50 82 2JCOHN 84 VAL C 85 TYR H 3.93 . . 0.50 83 2JCOHN 85 TYR C 86 GLY H 4.49 . . 0.50 84 2JCOHN 86 GLY C 87 TRP H 4.49 . . 0.50 85 2JCOHN 87 TRP C 88 THR H 3.23 . . 0.50 86 2JCOHN 88 THR C 89 VAL H 3.71 . . 0.50 87 2JCOHN 89 VAL C 90 ASP H 5.18 . . 0.50 88 2JCOHN 91 PRO C 92 LEU H 4.62 . . 0.50 89 2JCOHN 92 LEU C 93 VAL H 4.19 . . 0.50 90 2JCOHN 93 VAL C 94 GLU H 3.57 . . 0.50 91 2JCOHN 94 GLU C 95 TYR H 4.71 . . 0.50 92 2JCOHN 95 TYR C 96 TYR H 2.61 . . 0.50 93 2JCOHN 96 TYR C 97 ILE H 3.89 . . 0.50 94 2JCOHN 97 ILE C 98 VAL H 3.22 . . 0.50 95 2JCOHN 98 VAL C 99 ASP H 4.28 . . 0.50 96 2JCOHN 99 ASP C 100 SER H 4.79 . . 0.50 97 2JCOHN 100 SER C 101 TRP H 3.95 . . 0.50 98 2JCOHN 101 TRP C 102 GLY H 4.32 . . 0.50 99 2JCOHN 102 GLY C 103 ASN H 4.33 . . 0.50 100 2JCOHN 103 ASN C 104 TRP H 3.61 . . 0.50 101 2JCOHN 104 TRP C 105 ARG H 4.02 . . 0.50 102 2JCOHN 107 PRO C 108 GLY H 4.99 . . 0.50 103 2JCOHN 108 GLY C 109 ALA H 3.80 . . 0.50 104 2JCOHN 109 ALA C 110 THR H 4.68 . . 0.50 105 2JCOHN 111 PRO C 112 LYS H 3.20 . . 0.50 106 2JCOHN 112 LYS C 113 GLY H 4.87 . . 0.50 107 2JCOHN 113 GLY C 114 THR H 4.00 . . 0.50 108 2JCOHN 114 THR C 115 ILE H 4.38 . . 0.50 109 2JCOHN 115 ILE C 116 THR H 3.42 . . 0.50 110 2JCOHN 116 THR C 117 VAL H 4.67 . . 0.50 111 2JCOHN 117 VAL C 118 ASP H 4.60 . . 0.50 112 2JCOHN 118 ASP C 119 GLY H 4.89 . . 0.50 113 2JCOHN 119 GLY C 120 GLY H 4.71 . . 0.50 114 2JCOHN 120 GLY C 121 THR H 4.44 . . 0.50 115 2JCOHN 121 THR C 122 TYR H 4.55 . . 0.50 116 2JCOHN 122 TYR C 123 ASP H 3.46 . . 0.50 117 2JCOHN 123 ASP C 124 ILE H 4.88 . . 0.50 118 2JCOHN 124 ILE C 125 TYR H 3.61 . . 0.50 119 2JCOHN 125 TYR C 126 GLU H 3.70 . . 0.50 120 2JCOHN 126 GLU C 127 THR H 3.78 . . 0.50 121 2JCOHN 127 THR C 128 LEU H 4.15 . . 0.50 122 2JCOHN 128 LEU C 129 ARG H 4.71 . . 0.50 123 2JCOHN 129 ARG C 130 VAL H 4.24 . . 0.50 124 2JCOHN 130 VAL C 131 ASN H 4.39 . . 0.50 125 2JCOHN 131 ASN C 132 GLN H 3.62 . . 0.50 126 2JCOHN 133 PRO C 134 SER H 3.73 . . 0.50 127 2JCOHN 135 ILE C 136 LYS H 4.47 . . 0.50 128 2JCOHN 136 LYS C 137 GLY H 4.90 . . 0.50 129 2JCOHN 137 GLY C 138 ILE H 4.33 . . 0.50 130 2JCOHN 138 ILE C 139 ALA H 3.89 . . 0.50 131 2JCOHN 139 ALA C 140 THR H 4.45 . . 0.50 132 2JCOHN 140 THR C 141 PHE H 4.39 . . 0.50 133 2JCOHN 141 PHE C 142 LYS H 3.93 . . 0.50 134 2JCOHN 142 LYS C 143 GLN H 3.95 . . 0.50 135 2JCOHN 143 GLN C 144 TYR H 3.90 . . 0.50 136 2JCOHN 144 TYR C 145 TRP H 4.39 . . 0.50 137 2JCOHN 145 TRP C 146 SER H 4.10 . . 0.50 138 2JCOHN 146 SER C 147 VAL H 3.60 . . 0.50 139 2JCOHN 147 VAL C 148 ARG H 4.41 . . 0.50 140 2JCOHN 148 ARG C 149 ARG H 3.39 . . 0.50 141 2JCOHN 149 ARG C 150 SER H 4.90 . . 0.50 142 2JCOHN 151 LYS C 152 ARG H 4.18 . . 0.50 143 2JCOHN 152 ARG C 153 THR H 3.86 . . 0.50 144 2JCOHN 153 THR C 154 SER H 4.30 . . 0.50 145 2JCOHN 154 SER C 155 GLY H 3.80 . . 0.50 146 2JCOHN 155 GLY C 156 THR H 4.41 . . 0.50 147 2JCOHN 156 THR C 157 ILE H 3.88 . . 0.50 148 2JCOHN 157 ILE C 158 SER H 3.93 . . 0.50 149 2JCOHN 158 SER C 159 VAL H 2.73 . . 0.50 150 2JCOHN 159 VAL C 160 SER H 3.86 . . 0.50 151 2JCOHN 160 SER C 161 ASN H 4.20 . . 0.50 152 2JCOHN 161 ASN C 162 HIS H 3.94 . . 0.50 153 2JCOHN 162 HIS C 163 PHE H 3.86 . . 0.50 154 2JCOHN 163 PHE C 164 ARG H 4.18 . . 0.50 155 2JCOHN 164 ARG C 165 ALA H 4.57 . . 0.50 156 2JCOHN 165 ALA C 166 TRP H 4.39 . . 0.50 157 2JCOHN 166 TRP C 167 GLU H 3.80 . . 0.50 158 2JCOHN 167 GLU C 168 ASN H 4.00 . . 0.50 159 2JCOHN 168 ASN C 169 LEU H 4.44 . . 0.50 160 2JCOHN 169 LEU C 170 GLY H 4.85 . . 0.50 161 2JCOHN 170 GLY C 171 MET H 4.61 . . 0.50 162 2JCOHN 171 MET C 172 ASN H 4.25 . . 0.50 163 2JCOHN 172 ASN C 173 MET H 4.05 . . 0.50 164 2JCOHN 173 MET C 174 GLY H 4.95 . . 0.50 165 2JCOHN 174 GLY C 175 LYS H 3.18 . . 0.50 166 2JCOHN 175 LYS C 176 MET H 3.93 . . 0.50 167 2JCOHN 176 MET C 177 TYR H 3.94 . . 0.50 168 2JCOHN 177 TYR C 178 GLU H 4.35 . . 0.50 169 2JCOHN 178 GLU C 179 VAL H 4.10 . . 0.50 170 2JCOHN 179 VAL C 180 ALA H 3.52 . . 0.50 171 2JCOHN 180 ALA C 181 LEU H 4.10 . . 0.50 172 2JCOHN 181 LEU C 182 THR H 3.94 . . 0.50 173 2JCOHN 182 THR C 183 VAL H 4.32 . . 0.50 174 2JCOHN 183 VAL C 184 GLU H 4.25 . . 0.50 175 2JCOHN 184 GLU C 185 GLY H 4.20 . . 0.50 176 2JCOHN 185 GLY C 186 TYR H 4.53 . . 0.50 177 2JCOHN 186 TYR C 187 GLN H 4.04 . . 0.50 178 2JCOHN 187 GLN C 188 SER H 3.31 . . 0.50 179 2JCOHN 188 SER C 189 SER H 3.48 . . 0.50 180 2JCOHN 189 SER C 190 GLY H 4.00 . . 0.50 181 2JCOHN 190 GLY C 191 SER H 4.35 . . 0.50 182 2JCOHN 191 SER C 192 ALA H 3.50 . . 0.50 183 2JCOHN 192 ALA C 193 ASN H 3.94 . . 0.50 184 2JCOHN 193 ASN C 194 VAL H 4.34 . . 0.50 185 2JCOHN 194 VAL C 195 TYR H 3.82 . . 0.50 186 2JCOHN 195 TYR C 196 SER H 4.45 . . 0.50 187 2JCOHN 196 SER C 197 ASN H 3.57 . . 0.50 188 2JCOHN 197 ASN C 198 THR H 3.51 . . 0.50 189 2JCOHN 198 THR C 199 LEU H 3.91 . . 0.50 190 2JCOHN 199 LEU C 200 ARG H 4.38 . . 0.50 191 2JCOHN 200 ARG C 201 ILE H 4.34 . . 0.50 192 2JCOHN 201 ILE C 202 ASN H 4.20 . . 0.50 193 2JCOHN 202 ASN C 203 GLY H 4.40 . . 0.50 194 2JCOHN 203 GLY C 204 ASN H 4.51 . . 0.50 195 2JCOHN 205 PRO C 206 LEU H 3.75 . . 0.50 196 2JCOHN 206 LEU C 207 SER H 4.12 . . 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 950 _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 3 VAL N 3 VAL HA 0.98 . . 0.50 2 2JN_HA 4 THR N 4 THR HA 1.84 . . 0.50 3 2JN_HA 5 ASP N 5 ASP HA 1.79 . . 0.50 4 2JN_HA 6 ASN N 6 ASN HA 0.93 . . 0.50 5 2JN_HA 7 SER N 7 SER HA 1.03 . . 0.50 6 2JN_HA 8 ILE N 8 ILE HA 2.22 . . 0.50 7 2JN_HA 10 ASN N 10 ASN HA 1.80 . . 0.50 8 2JN_HA 11 HIS N 11 HIS HA 2.05 . . 0.50 9 2JN_HA 12 ASP N 12 ASP HA 0.51 . . 0.50 10 2JN_HA 14 TYR N 14 TYR HA 1.09 . . 0.50 11 2JN_HA 15 ASP N 15 ASP HA 1.16 . . 0.50 12 2JN_HA 16 TYR N 16 TYR HA 1.72 . . 0.50 13 2JN_HA 17 GLU N 17 GLU HA 0.02 . . 0.50 14 2JN_HA 18 PHE N 18 PHE HA 1.68 . . 0.50 15 2JN_HA 19 TRP N 19 TRP HA 1.68 . . 0.50 16 2JN_HA 20 LYS N 20 LYS HA 1.58 . . 0.50 17 2JN_HA 21 ASP N 21 ASP HA 1.43 . . 0.50 18 2JN_HA 22 SER N 22 SER HA 0.97 . . 0.50 19 2JN_HA 25 SER N 25 SER HA 1.46 . . 0.50 20 2JN_HA 27 THR N 27 THR HA 1.27 . . 0.50 21 2JN_HA 28 MET N 28 MET HA 1.01 . . 0.50 22 2JN_HA 29 ILE N 29 ILE HA 0.94 . . 0.50 23 2JN_HA 31 ASN N 31 ASN HA 1.47 . . 0.50 24 2JN_HA 32 HIS N 32 HIS HA 1.83 . . 0.50 25 2JN_HA 35 THR N 35 THR HA 1.59 . . 0.50 26 2JN_HA 36 PHE N 36 PHE HA 0.90 . . 0.50 27 2JN_HA 37 SER N 37 SER HA 1.46 . . 0.50 28 2JN_HA 38 ALA N 38 ALA HA 0.59 . . 0.50 29 2JN_HA 39 GLN N 39 GLN HA 1.21 . . 0.50 30 2JN_HA 40 TRP N 40 TRP HA 1.60 . . 0.50 31 2JN_HA 41 ASN N 41 ASN HA 1.33 . . 0.50 32 2JN_HA 42 ASN N 42 ASN HA 1.06 . . 0.50 33 2JN_HA 43 VAL N 43 VAL HA 0.92 . . 0.50 34 2JN_HA 44 ASN N 44 ASN HA 2.60 . . 0.50 35 2JN_HA 45 ASN N 45 ASN HA 1.36 . . 0.50 36 2JN_HA 46 ILE N 46 ILE HA 1.75 . . 0.50 37 2JN_HA 47 LEU N 47 LEU HA 1.08 . . 0.50 38 2JN_HA 48 PHE N 48 PHE HA 1.94 . . 0.50 39 2JN_HA 49 ARG N 49 ARG HA 1.38 . . 0.50 40 2JN_HA 50 LYS N 50 LYS HA 1.19 . . 0.50 41 2JN_HA 52 LYS N 52 LYS HA 1.33 . . 0.50 42 2JN_HA 53 LYS N 53 LYS HA 1.79 . . 0.50 43 2JN_HA 54 PHE N 54 PHE HA 1.64 . . 0.50 44 2JN_HA 55 ASN N 55 ASN HA 2.23 . . 0.50 45 2JN_HA 56 GLU N 56 GLU HA 1.73 . . 0.50 46 2JN_HA 57 THR N 57 THR HA 2.01 . . 0.50 47 2JN_HA 58 GLN N 58 GLN HA 1.01 . . 0.50 48 2JN_HA 59 THR N 59 THR HA 1.22 . . 0.50 49 2JN_HA 60 HIS N 60 HIS HA 1.34 . . 0.50 50 2JN_HA 61 GLN N 61 GLN HA 0.82 . . 0.50 51 2JN_HA 62 GLN N 62 GLN HA 0.69 . . 0.50 52 2JN_HA 63 VAL N 63 VAL HA 0.86 . . 0.50 53 2JN_HA 65 ASN N 65 ASN HA 1.51 . . 0.50 54 2JN_HA 66 MET N 66 MET HA 1.16 . . 0.50 55 2JN_HA 67 SER N 67 SER HA 1.38 . . 0.50 56 2JN_HA 68 ILE N 68 ILE HA 1.53 . . 0.50 57 2JN_HA 69 ASN N 69 ASN HA 1.34 . . 0.50 58 2JN_HA 70 TYR N 70 TYR HA 1.52 . . 0.50 59 2JN_HA 72 ALA N 72 ALA HA 1.04 . . 0.50 60 2JN_HA 73 ASN N 73 ASN HA 1.15 . . 0.50 61 2JN_HA 74 PHE N 74 PHE HA 1.50 . . 0.50 62 2JN_HA 75 GLN N 75 GLN HA 2.86 . . 0.50 63 2JN_HA 77 ASN N 77 ASN HA 2.23 . . 0.50 64 2JN_HA 79 ASN N 79 ASN HA 1.04 . . 0.50 65 2JN_HA 80 ALA N 80 ALA HA 1.23 . . 0.50 66 2JN_HA 81 TYR N 81 TYR HA 1.17 . . 0.50 67 2JN_HA 82 LEU N 82 LEU HA 1.70 . . 0.50 68 2JN_HA 83 CYS N 83 CYS HA 0.91 . . 0.50 69 2JN_HA 84 VAL N 84 VAL HA 1.95 . . 0.50 70 2JN_HA 85 TYR N 85 TYR HA 0.86 . . 0.50 71 2JN_HA 87 TRP N 87 TRP HA 0.60 . . 0.50 72 2JN_HA 88 THR N 88 THR HA 1.20 . . 0.50 73 2JN_HA 89 VAL N 89 VAL HA 1.08 . . 0.50 74 2JN_HA 90 ASP N 90 ASP HA 0.07 . . 0.50 75 2JN_HA 92 LEU N 92 LEU HA 1.14 . . 0.50 76 2JN_HA 93 VAL N 93 VAL HA 1.27 . . 0.50 77 2JN_HA 94 GLU N 94 GLU HA 0.90 . . 0.50 78 2JN_HA 95 TYR N 95 TYR HA 1.41 . . 0.50 79 2JN_HA 96 TYR N 96 TYR HA 1.35 . . 0.50 80 2JN_HA 97 ILE N 97 ILE HA 1.96 . . 0.50 81 2JN_HA 98 VAL N 98 VAL HA 1.24 . . 0.50 82 2JN_HA 99 ASP N 99 ASP HA 1.77 . . 0.50 83 2JN_HA 100 SER N 100 SER HA 1.71 . . 0.50 84 2JN_HA 101 TRP N 101 TRP HA 1.23 . . 0.50 85 2JN_HA 103 ASN N 103 ASN HA 1.77 . . 0.50 86 2JN_HA 104 TRP N 104 TRP HA 1.48 . . 0.50 87 2JN_HA 105 ARG N 105 ARG HA 1.42 . . 0.50 88 2JN_HA 109 ALA N 109 ALA HA 1.64 . . 0.50 89 2JN_HA 110 THR N 110 THR HA 1.54 . . 0.50 90 2JN_HA 112 LYS N 112 LYS HA 1.89 . . 0.50 91 2JN_HA 114 THR N 114 THR HA 0.65 . . 0.50 92 2JN_HA 115 ILE N 115 ILE HA 1.78 . . 0.50 93 2JN_HA 116 THR N 116 THR HA 2.60 . . 0.50 94 2JN_HA 117 VAL N 117 VAL HA 1.28 . . 0.50 95 2JN_HA 118 ASP N 118 ASP HA 0.74 . . 0.50 96 2JN_HA 121 THR N 121 THR HA 1.71 . . 0.50 97 2JN_HA 122 TYR N 122 TYR HA 1.13 . . 0.50 98 2JN_HA 123 ASP N 123 ASP HA 0.69 . . 0.50 99 2JN_HA 124 ILE N 124 ILE HA 1.44 . . 0.50 100 2JN_HA 125 TYR N 125 TYR HA 1.21 . . 0.50 101 2JN_HA 126 GLU N 126 GLU HA 0.90 . . 0.50 102 2JN_HA 127 THR N 127 THR HA 2.24 . . 0.50 103 2JN_HA 128 LEU N 128 LEU HA 1.79 . . 0.50 104 2JN_HA 129 ARG N 129 ARG HA 2.15 . . 0.50 105 2JN_HA 130 VAL N 130 VAL HA 1.28 . . 0.50 106 2JN_HA 131 ASN N 131 ASN HA 1.31 . . 0.50 107 2JN_HA 132 GLN N 132 GLN HA 1.08 . . 0.50 108 2JN_HA 134 SER N 134 SER HA 1.60 . . 0.50 109 2JN_HA 136 LYS N 136 LYS HA 2.01 . . 0.50 110 2JN_HA 138 ILE N 138 ILE HA 1.41 . . 0.50 111 2JN_HA 139 ALA N 139 ALA HA 1.23 . . 0.50 112 2JN_HA 140 THR N 140 THR HA 1.23 . . 0.50 113 2JN_HA 141 PHE N 141 PHE HA 1.20 . . 0.50 114 2JN_HA 142 LYS N 142 LYS HA 0.67 . . 0.50 115 2JN_HA 143 GLN N 143 GLN HA 1.25 . . 0.50 116 2JN_HA 144 TYR N 144 TYR HA 0.80 . . 0.50 117 2JN_HA 145 TRP N 145 TRP HA 0.34 . . 0.50 118 2JN_HA 146 SER N 146 SER HA 0.44 . . 0.50 119 2JN_HA 147 VAL N 147 VAL HA 1.32 . . 0.50 120 2JN_HA 148 ARG N 148 ARG HA 1.59 . . 0.50 121 2JN_HA 149 ARG N 149 ARG HA -0.14 . . 0.50 122 2JN_HA 152 ARG N 152 ARG HA 1.61 . . 0.50 123 2JN_HA 153 THR N 153 THR HA 1.72 . . 0.50 124 2JN_HA 154 SER N 154 SER HA 1.44 . . 0.50 125 2JN_HA 156 THR N 156 THR HA 0.88 . . 0.50 126 2JN_HA 157 ILE N 157 ILE HA 1.68 . . 0.50 127 2JN_HA 158 SER N 158 SER HA 1.22 . . 0.50 128 2JN_HA 159 VAL N 159 VAL HA 0.66 . . 0.50 129 2JN_HA 160 SER N 160 SER HA 0.16 . . 0.50 130 2JN_HA 161 ASN N 161 ASN HA 0.79 . . 0.50 131 2JN_HA 162 HIS N 162 HIS HA 0.63 . . 0.50 132 2JN_HA 163 PHE N 163 PHE HA 0.44 . . 0.50 133 2JN_HA 164 ARG N 164 ARG HA 0.58 . . 0.50 134 2JN_HA 165 ALA N 165 ALA HA 1.09 . . 0.50 135 2JN_HA 166 TRP N 166 TRP HA 1.33 . . 0.50 136 2JN_HA 167 GLU N 167 GLU HA 0.80 . . 0.50 137 2JN_HA 168 ASN N 168 ASN HA 1.36 . . 0.50 138 2JN_HA 169 LEU N 169 LEU HA 1.59 . . 0.50 139 2JN_HA 171 MET N 171 MET HA 1.50 . . 0.50 140 2JN_HA 172 ASN N 172 ASN HA 1.27 . . 0.50 141 2JN_HA 173 MET N 173 MET HA 1.65 . . 0.50 142 2JN_HA 175 LYS N 175 LYS HA 0.17 . . 0.50 143 2JN_HA 176 MET N 176 MET HA 0.98 . . 0.50 144 2JN_HA 177 TYR N 177 TYR HA 2.45 . . 0.50 145 2JN_HA 178 GLU N 178 GLU HA -0.31 . . 0.50 146 2JN_HA 179 VAL N 179 VAL HA 1.32 . . 0.50 147 2JN_HA 180 ALA N 180 ALA HA 0.84 . . 0.50 148 2JN_HA 181 LEU N 181 LEU HA 1.63 . . 0.50 149 2JN_HA 182 THR N 182 THR HA 1.19 . . 0.50 150 2JN_HA 183 VAL N 183 VAL HA 2.09 . . 0.50 151 2JN_HA 184 GLU N 184 GLU HA 1.34 . . 0.50 152 2JN_HA 186 TYR N 186 TYR HA 1.00 . . 0.50 153 2JN_HA 187 GLN N 187 GLN HA -0.17 . . 0.50 154 2JN_HA 188 SER N 188 SER HA 1.33 . . 0.50 155 2JN_HA 189 SER N 189 SER HA 1.56 . . 0.50 156 2JN_HA 191 SER N 191 SER HA 1.77 . . 0.50 157 2JN_HA 192 ALA N 192 ALA HA 1.07 . . 0.50 158 2JN_HA 193 ASN N 193 ASN HA 2.03 . . 0.50 159 2JN_HA 194 VAL N 194 VAL HA 1.34 . . 0.50 160 2JN_HA 195 TYR N 195 TYR HA 1.58 . . 0.50 161 2JN_HA 196 SER N 196 SER HA 1.42 . . 0.50 162 2JN_HA 197 ASN N 197 ASN HA 1.55 . . 0.50 163 2JN_HA 198 THR N 198 THR HA 1.45 . . 0.50 164 2JN_HA 199 LEU N 199 LEU HA 1.52 . . 0.50 165 2JN_HA 200 ARG N 200 ARG HA 0.85 . . 0.50 166 2JN_HA 201 ILE N 201 ILE HA 2.01 . . 0.50 167 2JN_HA 202 ASN N 202 ASN HA 0.75 . . 0.50 168 2JN_HA 204 ASN N 204 ASN HA 1.16 . . 0.50 169 2JN_HA 206 LEU N 206 LEU HA 1.41 . . 0.50 170 2JN_HA 207 SER N 207 SER HA 1.10 . . 0.50 stop_ save_ save_2JHaCO _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '2D CO-coupled ct-[13C,1H]-HSQC' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 900 _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 2JHACO 2 ILE HA 2 ILE C -2.41 . . 0.50 2 2JHACO 3 VAL HA 3 VAL C -3.73 . . 0.50 3 2JHACO 4 THR HA 4 THR C -5.28 . . 0.50 4 2JHACO 5 ASP HA 5 ASP C -3.02 . . 0.50 5 2JHACO 7 SER HA 7 SER C -4.75 . . 0.50 6 2JHACO 8 ILE HA 8 ILE C -4.83 . . 0.50 7 2JHACO 10 ASN HA 10 ASN C -3.71 . . 0.50 8 2JHACO 11 HIS HA 11 HIS C -6.56 . . 0.50 9 2JHACO 12 ASP HA 12 ASP C -5.48 . . 0.50 10 2JHACO 14 TYR HA 14 TYR C -3.37 . . 0.50 11 2JHACO 15 ASP HA 15 ASP C -4.02 . . 0.50 12 2JHACO 16 TYR HA 16 TYR C -5.06 . . 0.50 13 2JHACO 17 GLU HA 17 GLU C -3.19 . . 0.50 14 2JHACO 19 TRP HA 19 TRP C -0.61 . . 0.50 15 2JHACO 21 ASP HA 21 ASP C -5.36 . . 0.50 16 2JHACO 22 SER HA 22 SER C -1.31 . . 0.50 17 2JHACO 28 MET HA 28 MET C -4.57 . . 0.50 18 2JHACO 30 LEU HA 30 LEU C -2.39 . . 0.50 19 2JHACO 31 ASN HA 31 ASN C -4.50 . . 0.50 20 2JHACO 36 PHE HA 36 PHE C -5.62 . . 0.50 21 2JHACO 37 SER HA 37 SER C -6.64 . . 0.50 22 2JHACO 38 ALA HA 38 ALA C -2.45 . . 0.50 23 2JHACO 39 GLN HA 39 GLN C -5.48 . . 0.50 24 2JHACO 40 TRP HA 40 TRP C -5.15 . . 0.50 25 2JHACO 41 ASN HA 41 ASN C -4.42 . . 0.50 26 2JHACO 42 ASN HA 42 ASN C -5.41 . . 0.50 27 2JHACO 44 ASN HA 44 ASN C -4.62 . . 0.50 28 2JHACO 45 ASN HA 45 ASN C -5.61 . . 0.50 29 2JHACO 46 ILE HA 46 ILE C -4.28 . . 0.50 30 2JHACO 47 LEU HA 47 LEU C -0.81 . . 0.50 31 2JHACO 49 ARG HA 49 ARG C -4.55 . . 0.50 32 2JHACO 50 LYS HA 50 LYS C -7.91 . . 0.50 33 2JHACO 56 GLU HA 56 GLU C -7.32 . . 0.50 34 2JHACO 59 THR HA 59 THR C -4.91 . . 0.50 35 2JHACO 60 HIS HA 60 HIS C -4.34 . . 0.50 36 2JHACO 61 GLN HA 61 GLN C -4.00 . . 0.50 37 2JHACO 63 VAL HA 63 VAL C -5.54 . . 0.50 38 2JHACO 65 ASN HA 65 ASN C -2.30 . . 0.50 39 2JHACO 66 MET HA 66 MET C -4.48 . . 0.50 40 2JHACO 67 SER HA 67 SER C -3.88 . . 0.50 41 2JHACO 68 ILE HA 68 ILE C -4.24 . . 0.50 42 2JHACO 69 ASN HA 69 ASN C -3.70 . . 0.50 43 2JHACO 70 TYR HA 70 TYR C -4.80 . . 0.50 44 2JHACO 72 ALA HA 72 ALA C -4.30 . . 0.50 45 2JHACO 73 ASN HA 73 ASN C -3.73 . . 0.50 46 2JHACO 74 PHE HA 74 PHE C -3.83 . . 0.50 47 2JHACO 76 PRO HA 76 PRO C -1.90 . . 0.50 48 2JHACO 80 ALA HA 80 ALA C -3.99 . . 0.50 49 2JHACO 81 TYR HA 81 TYR C -5.25 . . 0.50 50 2JHACO 83 CYS HA 83 CYS C -6.03 . . 0.50 51 2JHACO 84 VAL HA 84 VAL C -3.91 . . 0.50 52 2JHACO 85 TYR HA 85 TYR C -3.09 . . 0.50 53 2JHACO 87 TRP HA 87 TRP C -4.47 . . 0.50 54 2JHACO 88 THR HA 88 THR C -5.82 . . 0.50 55 2JHACO 89 VAL HA 89 VAL C -2.59 . . 0.50 56 2JHACO 90 ASP HA 90 ASP C -5.52 . . 0.50 57 2JHACO 91 PRO HA 91 PRO C -1.67 . . 0.50 58 2JHACO 93 VAL HA 93 VAL C -3.82 . . 0.50 59 2JHACO 95 TYR HA 95 TYR C -6.07 . . 0.50 60 2JHACO 96 TYR HA 96 TYR C -6.23 . . 0.50 61 2JHACO 97 ILE HA 97 ILE C -4.71 . . 0.50 62 2JHACO 98 VAL HA 98 VAL C -5.73 . . 0.50 63 2JHACO 99 ASP HA 99 ASP C -6.32 . . 0.50 64 2JHACO 100 SER HA 100 SER C -5.23 . . 0.50 65 2JHACO 101 TRP HA 101 TRP C -5.50 . . 0.50 66 2JHACO 103 ASN HA 103 ASN C -4.04 . . 0.50 67 2JHACO 104 TRP HA 104 TRP C -3.85 . . 0.50 68 2JHACO 105 ARG HA 105 ARG C -1.87 . . 0.50 69 2JHACO 107 PRO HA 107 PRO C -3.25 . . 0.50 70 2JHACO 109 ALA HA 109 ALA C -4.70 . . 0.50 71 2JHACO 110 THR HA 110 THR C -3.99 . . 0.50 72 2JHACO 112 LYS HA 112 LYS C -6.44 . . 0.50 73 2JHACO 114 THR HA 114 THR C -5.13 . . 0.50 74 2JHACO 115 ILE HA 115 ILE C -4.72 . . 0.50 75 2JHACO 117 VAL HA 117 VAL C -3.86 . . 0.50 76 2JHACO 118 ASP HA 118 ASP C -6.43 . . 0.50 77 2JHACO 121 THR HA 121 THR C -4.77 . . 0.50 78 2JHACO 122 TYR HA 122 TYR C -3.69 . . 0.50 79 2JHACO 124 ILE HA 124 ILE C -4.20 . . 0.50 80 2JHACO 126 GLU HA 126 GLU C -3.67 . . 0.50 81 2JHACO 127 THR HA 127 THR C -6.80 . . 0.50 82 2JHACO 128 LEU HA 128 LEU C -4.72 . . 0.50 83 2JHACO 129 ARG HA 129 ARG C -2.61 . . 0.50 84 2JHACO 130 VAL HA 130 VAL C -3.23 . . 0.50 85 2JHACO 135 ILE HA 135 ILE C -3.65 . . 0.50 86 2JHACO 136 LYS HA 136 LYS C -7.17 . . 0.50 87 2JHACO 138 ILE HA 138 ILE C -2.51 . . 0.50 88 2JHACO 139 ALA HA 139 ALA C -3.22 . . 0.50 89 2JHACO 140 THR HA 140 THR C -3.55 . . 0.50 90 2JHACO 143 GLN HA 143 GLN C -4.69 . . 0.50 91 2JHACO 144 TYR HA 144 TYR C -4.88 . . 0.50 92 2JHACO 145 TRP HA 145 TRP C -4.57 . . 0.50 93 2JHACO 146 SER HA 146 SER C -3.68 . . 0.50 94 2JHACO 147 VAL HA 147 VAL C -3.07 . . 0.50 95 2JHACO 151 LYS HA 151 LYS C -1.82 . . 0.50 96 2JHACO 156 THR HA 156 THR C -4.72 . . 0.50 97 2JHACO 157 ILE HA 157 ILE C -4.91 . . 0.50 98 2JHACO 158 SER HA 158 SER C -6.44 . . 0.50 99 2JHACO 159 VAL HA 159 VAL C -6.13 . . 0.50 100 2JHACO 161 ASN HA 161 ASN C -4.89 . . 0.50 101 2JHACO 162 HIS HA 162 HIS C -5.24 . . 0.50 102 2JHACO 164 ARG HA 164 ARG C -1.96 . . 0.50 103 2JHACO 165 ALA HA 165 ALA C -4.79 . . 0.50 104 2JHACO 166 TRP HA 166 TRP C -5.76 . . 0.50 105 2JHACO 167 GLU HA 167 GLU C -5.77 . . 0.50 106 2JHACO 168 ASN HA 168 ASN C -4.67 . . 0.50 107 2JHACO 175 LYS HA 175 LYS C -5.60 . . 0.50 108 2JHACO 176 MET HA 176 MET C -4.61 . . 0.50 109 2JHACO 177 TYR HA 177 TYR C -7.12 . . 0.50 110 2JHACO 178 GLU HA 178 GLU C -4.72 . . 0.50 111 2JHACO 179 VAL HA 179 VAL C -6.24 . . 0.50 112 2JHACO 180 ALA HA 180 ALA C -6.62 . . 0.50 113 2JHACO 182 THR HA 182 THR C -3.96 . . 0.50 114 2JHACO 183 VAL HA 183 VAL C -4.27 . . 0.50 115 2JHACO 186 TYR HA 186 TYR C -4.47 . . 0.50 116 2JHACO 187 GLN HA 187 GLN C -2.76 . . 0.50 117 2JHACO 189 SER HA 189 SER C -6.33 . . 0.50 118 2JHACO 192 ALA HA 192 ALA C -5.53 . . 0.50 119 2JHACO 193 ASN HA 193 ASN C -2.20 . . 0.50 120 2JHACO 194 VAL HA 194 VAL C -2.52 . . 0.50 121 2JHACO 196 SER HA 196 SER C -4.24 . . 0.50 122 2JHACO 197 ASN HA 197 ASN C -5.33 . . 0.50 123 2JHACO 198 THR HA 198 THR C -3.36 . . 0.50 124 2JHACO 199 LEU HA 199 LEU C -2.08 . . 0.50 125 2JHACO 200 ARG HA 200 ARG C -4.38 . . 0.50 126 2JHACO 201 ILE HA 201 ILE C -3.38 . . 0.50 127 2JHACO 204 ASN HA 204 ASN C -2.94 . . 0.50 128 2JHACO 206 LEU HA 206 LEU C -3.41 . . 0.50 129 2JHACO 207 SER HA 207 SER C -6.33 . . 0.50 stop_ save_ save_2JHaCb _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '2D Cb-coupled [13C,1H]-HSQC' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 950 _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 2JHACB 2 ILE HA 2 ILE CB -5.69 . . 0.50 2 2JHACB 5 ASP HA 5 ASP CB -4.83 . . 0.50 3 2JHACB 10 ASN HA 10 ASN CB -3.76 . . 0.50 4 2JHACB 12 ASP HA 12 ASP CB -4.68 . . 0.50 5 2JHACB 14 TYR HA 14 TYR CB -0.57 . . 0.50 6 2JHACB 15 ASP HA 15 ASP CB -6.72 . . 0.50 7 2JHACB 16 TYR HA 16 TYR CB -4.48 . . 0.50 8 2JHACB 21 ASP HA 21 ASP CB -5.37 . . 0.50 9 2JHACB 28 MET HA 28 MET CB -6.21 . . 0.50 10 2JHACB 29 ILE HA 29 ILE CB -10.77 . . 0.50 11 2JHACB 30 LEU HA 30 LEU CB 0.83 . . 0.50 12 2JHACB 31 ASN HA 31 ASN CB -2.91 . . 0.50 13 2JHACB 32 HIS HA 32 HIS CB -11.03 . . 0.50 14 2JHACB 36 PHE HA 36 PHE CB -5.50 . . 0.50 15 2JHACB 38 ALA HA 38 ALA CB -6.68 . . 0.50 16 2JHACB 40 TRP HA 40 TRP CB -4.87 . . 0.50 17 2JHACB 41 ASN HA 41 ASN CB -5.45 . . 0.50 18 2JHACB 42 ASN HA 42 ASN CB -2.77 . . 0.50 19 2JHACB 45 ASN HA 45 ASN CB -5.43 . . 0.50 20 2JHACB 46 ILE HA 46 ILE CB -3.41 . . 0.50 21 2JHACB 49 ARG HA 49 ARG CB -4.09 . . 0.50 22 2JHACB 50 LYS HA 50 LYS CB -11.35 . . 0.50 23 2JHACB 55 ASN HA 55 ASN CB -5.52 . . 0.50 24 2JHACB 56 GLU HA 56 GLU CB -6.78 . . 0.50 25 2JHACB 60 HIS HA 60 HIS CB -1.60 . . 0.50 26 2JHACB 61 GLN HA 61 GLN CB -4.86 . . 0.50 27 2JHACB 63 VAL HA 63 VAL CB -5.20 . . 0.50 28 2JHACB 65 ASN HA 65 ASN CB -5.40 . . 0.50 29 2JHACB 66 MET HA 66 MET CB -2.95 . . 0.50 30 2JHACB 68 ILE HA 68 ILE CB -3.68 . . 0.50 31 2JHACB 69 ASN HA 69 ASN CB -3.68 . . 0.50 32 2JHACB 70 TYR HA 70 TYR CB -4.96 . . 0.50 33 2JHACB 72 ALA HA 72 ALA CB -5.15 . . 0.50 34 2JHACB 73 ASN HA 73 ASN CB -7.48 . . 0.50 35 2JHACB 76 PRO HA 76 PRO CB -3.46 . . 0.50 36 2JHACB 80 ALA HA 80 ALA CB -8.79 . . 0.50 37 2JHACB 81 TYR HA 81 TYR CB -6.48 . . 0.50 38 2JHACB 83 CYS HA 83 CYS CB -3.05 . . 0.50 39 2JHACB 84 VAL HA 84 VAL CB -2.35 . . 0.50 40 2JHACB 85 TYR HA 85 TYR CB -1.99 . . 0.50 41 2JHACB 87 TRP HA 87 TRP CB -4.68 . . 0.50 42 2JHACB 89 VAL HA 89 VAL CB -5.95 . . 0.50 43 2JHACB 90 ASP HA 90 ASP CB -4.96 . . 0.50 44 2JHACB 91 PRO HA 91 PRO CB -2.76 . . 0.50 45 2JHACB 93 VAL HA 93 VAL CB -3.84 . . 0.50 46 2JHACB 95 TYR HA 95 TYR CB -4.49 . . 0.50 47 2JHACB 97 ILE HA 97 ILE CB -4.38 . . 0.50 48 2JHACB 99 ASP HA 99 ASP CB -4.65 . . 0.50 49 2JHACB 101 TRP HA 101 TRP CB -4.41 . . 0.50 50 2JHACB 103 ASN HA 103 ASN CB -9.42 . . 0.50 51 2JHACB 105 ARG HA 105 ARG CB -4.24 . . 0.50 52 2JHACB 107 PRO HA 107 PRO CB -3.70 . . 0.50 53 2JHACB 109 ALA HA 109 ALA CB -4.87 . . 0.50 54 2JHACB 115 ILE HA 115 ILE CB -4.77 . . 0.50 55 2JHACB 117 VAL HA 117 VAL CB -3.39 . . 0.50 56 2JHACB 118 ASP HA 118 ASP CB -6.99 . . 0.50 57 2JHACB 122 TYR HA 122 TYR CB -2.22 . . 0.50 58 2JHACB 124 ILE HA 124 ILE CB -3.99 . . 0.50 59 2JHACB 126 GLU HA 126 GLU CB -3.02 . . 0.50 60 2JHACB 129 ARG HA 129 ARG CB -2.99 . . 0.50 61 2JHACB 130 VAL HA 130 VAL CB -3.59 . . 0.50 62 2JHACB 131 ASN HA 131 ASN CB -1.05 . . 0.50 63 2JHACB 133 PRO HA 133 PRO CB -3.56 . . 0.50 64 2JHACB 136 LYS HA 136 LYS CB -5.11 . . 0.50 65 2JHACB 139 ALA HA 139 ALA CB -4.44 . . 0.50 66 2JHACB 143 GLN HA 143 GLN CB -4.60 . . 0.50 67 2JHACB 145 TRP HA 145 TRP CB -4.38 . . 0.50 68 2JHACB 147 VAL HA 147 VAL CB -1.48 . . 0.50 69 2JHACB 151 LYS HA 151 LYS CB -2.77 . . 0.50 70 2JHACB 157 ILE HA 157 ILE CB -5.21 . . 0.50 71 2JHACB 159 VAL HA 159 VAL CB -5.04 . . 0.50 72 2JHACB 161 ASN HA 161 ASN CB -4.27 . . 0.50 73 2JHACB 162 HIS HA 162 HIS CB -5.30 . . 0.50 74 2JHACB 164 ARG HA 164 ARG CB -5.33 . . 0.50 75 2JHACB 165 ALA HA 165 ALA CB -6.34 . . 0.50 76 2JHACB 166 TRP HA 166 TRP CB -5.36 . . 0.50 77 2JHACB 167 GLU HA 167 GLU CB -4.50 . . 0.50 78 2JHACB 168 ASN HA 168 ASN CB -5.47 . . 0.50 79 2JHACB 169 LEU HA 169 LEU CB -5.45 . . 0.50 80 2JHACB 176 MET HA 176 MET CB -4.20 . . 0.50 81 2JHACB 177 TYR HA 177 TYR CB -5.93 . . 0.50 82 2JHACB 178 GLU HA 178 GLU CB -2.25 . . 0.50 83 2JHACB 180 ALA HA 180 ALA CB -5.74 . . 0.50 84 2JHACB 182 THR HA 182 THR CB -4.16 . . 0.50 85 2JHACB 183 VAL HA 183 VAL CB -5.94 . . 0.50 86 2JHACB 186 TYR HA 186 TYR CB -5.70 . . 0.50 87 2JHACB 187 GLN HA 187 GLN CB -4.53 . . 0.50 88 2JHACB 192 ALA HA 192 ALA CB -7.05 . . 0.50 89 2JHACB 193 ASN HA 193 ASN CB -7.60 . . 0.50 90 2JHACB 194 VAL HA 194 VAL CB -3.53 . . 0.50 91 2JHACB 204 ASN HA 204 ASN CB -4.67 . . 0.50 92 2JHACB 205 PRO HA 205 PRO CB -7.46 . . 0.50 93 2JHACB 206 LEU HA 206 LEU CB -6.38 . . 0.50 stop_ save_