data_16581 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2J coupling constants in human Frataxin C-terminal domain (90-210) ; _BMRB_accession_number 16581 _BMRB_flat_file_name bmr16581.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 2 stop_ loop_ _Data_type _Data_type_count "coupling constants" 223 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 15906 '1J coupling constants related to the Ca carbons in Frataxin C-terminal domain' 16579 '2J coupling constants in oxidised Flavodxin' 16580 '2J coupling constants in Ribonuclease T1' 16582 '2J coupling constants in human Ubiquitin' 16583 '2J coupling constants in Xylanase' 16584 '2J coupling constants in DFPase' 4342 '1H, 15N, 13C chemical-shift assignments for Frataxin C-terminal domain (90-210)' 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' '2JHNCA measurement' 'IPAP method' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Frataxin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $Frataxin stop_ _System_molecular_weight 13492.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'mitochondrial protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Frataxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Frataxin _Molecular_mass 13492.6 _Mol_thiol_state 'not present' loop_ _Biological_function 'mitochondrial protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; MDETTYERLAEETLDSLAEF FEDLADKPYTFEDYDVSFGS GVLTVKLGGDLGTYVINKQT PNKQIWLSSPSSGPKRYDWT GKNWVYSHDGVSLHELLAAE LTKALKTKLDLSSLAYSGKD A ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 MET 2 91 ASP 3 92 GLU 4 93 THR 5 94 THR 6 95 TYR 7 96 GLU 8 97 ARG 9 98 LEU 10 99 ALA 11 100 GLU 12 101 GLU 13 102 THR 14 103 LEU 15 104 ASP 16 105 SER 17 106 LEU 18 107 ALA 19 108 GLU 20 109 PHE 21 110 PHE 22 111 GLU 23 112 ASP 24 113 LEU 25 114 ALA 26 115 ASP 27 116 LYS 28 117 PRO 29 118 TYR 30 119 THR 31 120 PHE 32 121 GLU 33 122 ASP 34 123 TYR 35 124 ASP 36 125 VAL 37 126 SER 38 127 PHE 39 128 GLY 40 129 SER 41 130 GLY 42 131 VAL 43 132 LEU 44 133 THR 45 134 VAL 46 135 LYS 47 136 LEU 48 137 GLY 49 138 GLY 50 139 ASP 51 140 LEU 52 141 GLY 53 142 THR 54 143 TYR 55 144 VAL 56 145 ILE 57 146 ASN 58 147 LYS 59 148 GLN 60 149 THR 61 150 PRO 62 151 ASN 63 152 LYS 64 153 GLN 65 154 ILE 66 155 TRP 67 156 LEU 68 157 SER 69 158 SER 70 159 PRO 71 160 SER 72 161 SER 73 162 GLY 74 163 PRO 75 164 LYS 76 165 ARG 77 166 TYR 78 167 ASP 79 168 TRP 80 169 THR 81 170 GLY 82 171 LYS 83 172 ASN 84 173 TRP 85 174 VAL 86 175 TYR 87 176 SER 88 177 HIS 89 178 ASP 90 179 GLY 91 180 VAL 92 181 SER 93 182 LEU 94 183 HIS 95 184 GLU 96 185 LEU 97 186 LEU 98 187 ALA 99 188 ALA 100 189 GLU 101 190 LEU 102 191 THR 103 192 LYS 104 193 ALA 105 194 LEU 106 195 LYS 107 196 THR 108 197 LYS 109 198 LEU 110 199 ASP 111 200 LEU 112 201 SER 113 202 SER 114 203 LEU 115 204 ALA 116 205 TYR 117 206 SER 118 207 GLY 119 208 LYS 120 209 ASP 121 210 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 15233 hfraG130V 100.00 123 99.17 99.17 2.00e-79 BMRB 15234 hfraD122Y 100.00 123 99.17 99.17 3.20e-79 BMRB 15235 hfraW155R 100.00 123 99.17 99.17 2.84e-79 BMRB 15736 Full-length_Human_frataxin 100.00 187 99.17 100.00 6.15e-80 BMRB 15906 Frataxin 100.00 121 100.00 100.00 1.17e-80 BMRB 4342 Frataxin 100.00 122 100.00 100.00 1.63e-80 PDB 1EKG "Mature Human Frataxin" 100.00 127 99.17 100.00 6.42e-80 PDB 1LY7 "The Solution Structure Of The The C-Terminal Domain Of Frataxin, The Protein Responsible For Friedreich Ataxia" 99.17 121 100.00 100.00 1.27e-79 PDB 3S4M "Crystal Structure Of Wild-Type Human Frataxin" 100.00 129 99.17 100.00 1.08e-79 PDB 3S5D "Crystal Structure Of Human Frataxin Variant W155a" 100.00 129 98.35 99.17 2.59e-78 PDB 3S5E "Crystal Structure Of Human Frataxin Variant W155r, One Of The Friedreich's Ataxia Point Mutations" 100.00 129 98.35 99.17 3.15e-78 PDB 3S5F "Crystal Structure Of Human Frataxin Variant W155f" 100.00 129 98.35 100.00 1.01e-78 PDB 3T3J "1.70 A Structure Of Friedreich's Ataxia Frataxin Variant N146k" 100.00 129 98.35 99.17 9.19e-79 PDB 3T3K "1.24 A Structure Of Friedreich's Ataxia Frataxin Variant Q148r" 100.00 129 98.35 100.00 4.93e-79 PDB 3T3L "1.15 A Structure Of Human Frataxin Variant Q153a" 100.00 129 98.35 99.17 9.81e-79 PDB 3T3T "1.38 A Structure Of Human Frataxin Variant Q148g" 100.00 129 98.35 99.17 1.73e-78 PDB 3T3X "1.57 A Structure Of Friedreich's Ataxia Frataxin Variant R165c" 100.00 129 98.35 99.17 1.64e-78 GB AAA98508 "frataxin [Homo sapiens]" 100.00 210 97.52 99.17 5.79e-78 GB AAA98509 "frataxin [Homo sapiens]" 58.68 171 98.59 100.00 2.79e-41 GB AAA98510 "frataxin [Homo sapiens]" 100.00 210 97.52 99.17 5.79e-78 GB AAH23633 "Frataxin [Homo sapiens]" 100.00 210 99.17 100.00 7.20e-80 GB AAH48097 "Frataxin [Homo sapiens]" 100.00 210 99.17 100.00 7.20e-80 REF NP_000135 "frataxin, mitochondrial isoform 1 preproprotein [Homo sapiens]" 100.00 210 99.17 100.00 7.20e-80 REF NP_001155178 "frataxin, mitochondrial isoform 3 preproprotein [Homo sapiens]" 58.68 171 98.59 100.00 2.79e-41 REF NP_001247670 "frataxin, mitochondrial [Macaca mulatta]" 100.00 210 97.52 99.17 5.46e-79 REF NP_852090 "frataxin, mitochondrial isoform 2 preproprotein [Homo sapiens]" 58.68 196 98.59 100.00 1.58e-41 REF XP_001137864 "PREDICTED: frataxin, mitochondrial [Pan troglodytes]" 95.87 238 99.14 99.14 4.03e-75 SP Q16595 "RecName: Full=Frataxin, mitochondrial; AltName: Full=Friedreich ataxia protein; Short=Fxn; Contains: RecName: Full=Frataxin int" 100.00 210 99.17 100.00 7.20e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Frataxin Human 9606 Eukaryota Metazoa Homo sapiens FRDA 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 $Frataxin 'recombinant technology' . Escherichia coli 'BL21 (DE3)' 'modified pET' 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 $Frataxin 1.7 mM '[U-95% 13C; U-95% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM '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 Avance _Field_strength 900 _Details 'cryogenically cooled triple-resonance z-gradient probe' save_ ############################# # NMR applied experiments # ############################# save_2D_IPAP-type_HN(CO-a/b-NCa-J)-TROSY_1 _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(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 ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ ######################## # Coupling constants # ######################## save_2JCaN_ _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 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 2JCAN_ 1 MET CA 2 ASP N -8.54 . . 0.50 2 2JCAN_ 2 ASP CA 3 GLU N -6.49 . . 0.50 3 2JCAN_ 3 GLU CA 4 THR N -6.60 . . 0.50 4 2JCAN_ 4 THR CA 5 THR N -5.74 . . 0.50 5 2JCAN_ 5 THR CA 6 TYR N -5.89 . . 0.50 6 2JCAN_ 6 TYR CA 7 GLU N -6.00 . . 0.50 7 2JCAN_ 7 GLU CA 8 ARG N -6.22 . . 0.50 8 2JCAN_ 8 ARG CA 9 LEU N -6.82 . . 0.50 9 2JCAN_ 9 LEU CA 10 ALA N -5.82 . . 0.50 10 2JCAN_ 10 ALA CA 11 GLU N -6.48 . . 0.50 11 2JCAN_ 11 GLU CA 12 GLU N -6.14 . . 0.50 12 2JCAN_ 12 GLU CA 13 THR N -6.22 . . 0.50 13 2JCAN_ 13 THR CA 14 LEU N -3.91 . . 0.50 14 2JCAN_ 14 LEU CA 15 ASP N -6.41 . . 0.50 15 2JCAN_ 15 ASP CA 16 SER N -6.34 . . 0.50 16 2JCAN_ 16 SER CA 17 LEU N -5.98 . . 0.50 17 2JCAN_ 17 LEU CA 18 ALA N -6.18 . . 0.50 18 2JCAN_ 18 ALA CA 19 GLU N -6.56 . . 0.50 19 2JCAN_ 19 GLU CA 20 PHE N -6.22 . . 0.50 20 2JCAN_ 20 PHE CA 21 PHE N -6.24 . . 0.50 21 2JCAN_ 21 PHE CA 22 GLU N -8.86 . . 0.50 22 2JCAN_ 22 GLU CA 23 ASP N -6.00 . . 0.50 23 2JCAN_ 23 ASP CA 24 LEU N -6.02 . . 0.50 24 2JCAN_ 24 LEU CA 25 ALA N -5.56 . . 0.50 25 2JCAN_ 25 ALA CA 26 ASP N -6.56 . . 0.50 26 2JCAN_ 26 ASP CA 27 LYS N -5.94 . . 0.50 27 2JCAN_ 28 PRO CA 29 TYR N -6.05 . . 0.50 28 2JCAN_ 29 TYR CA 30 THR N -6.06 . . 0.50 29 2JCAN_ 30 THR CA 31 PHE N -8.40 . . 0.50 30 2JCAN_ 31 PHE CA 32 GLU N -5.51 . . 0.50 31 2JCAN_ 32 GLU CA 33 ASP N -6.10 . . 0.50 32 2JCAN_ 33 ASP CA 34 TYR N -6.24 . . 0.50 33 2JCAN_ 34 TYR CA 35 ASP N -8.00 . . 0.50 34 2JCAN_ 35 ASP CA 36 VAL N -8.94 . . 0.50 35 2JCAN_ 36 VAL CA 37 SER N -8.37 . . 0.50 36 2JCAN_ 37 SER CA 38 PHE N -8.52 . . 0.50 37 2JCAN_ 38 PHE CA 39 GLY N -8.61 . . 0.50 38 2JCAN_ 39 GLY CA 40 SER N -6.21 . . 0.50 39 2JCAN_ 40 SER CA 41 GLY N -6.41 . . 0.50 40 2JCAN_ 41 GLY CA 42 VAL N -6.91 . . 0.50 41 2JCAN_ 42 VAL CA 43 LEU N -8.29 . . 0.50 42 2JCAN_ 43 LEU CA 44 THR N -5.61 . . 0.50 43 2JCAN_ 44 THR CA 45 VAL N -8.09 . . 0.50 44 2JCAN_ 45 VAL CA 46 LYS N -7.70 . . 0.50 45 2JCAN_ 46 LYS CA 47 LEU N -7.97 . . 0.50 46 2JCAN_ 47 LEU CA 48 GLY N -6.65 . . 0.50 47 2JCAN_ 48 GLY CA 49 GLY N -10.06 . . 0.50 48 2JCAN_ 50 ASP CA 51 LEU N -5.85 . . 0.50 49 2JCAN_ 51 LEU CA 52 GLY N -6.85 . . 0.50 50 2JCAN_ 52 GLY CA 53 THR N -10.65 . . 0.50 51 2JCAN_ 53 THR CA 54 TYR N -8.05 . . 0.50 52 2JCAN_ 54 TYR CA 55 VAL N -8.87 . . 0.50 53 2JCAN_ 55 VAL CA 56 ILE N -7.86 . . 0.50 54 2JCAN_ 56 ILE CA 57 ASN N -8.41 . . 0.50 55 2JCAN_ 57 ASN CA 58 LYS N -9.32 . . 0.50 56 2JCAN_ 58 LYS CA 59 GLN N -8.61 . . 0.50 57 2JCAN_ 61 PRO CA 62 ASN N -6.06 . . 0.50 58 2JCAN_ 62 ASN CA 63 LYS N -6.41 . . 0.50 59 2JCAN_ 63 LYS CA 64 GLN N -6.68 . . 0.50 60 2JCAN_ 64 GLN CA 65 ILE N -7.68 . . 0.50 61 2JCAN_ 65 ILE CA 66 TRP N -7.48 . . 0.50 62 2JCAN_ 66 TRP CA 67 LEU N -8.77 . . 0.50 63 2JCAN_ 67 LEU CA 68 SER N -8.89 . . 0.50 64 2JCAN_ 68 SER CA 69 SER N -8.60 . . 0.50 65 2JCAN_ 70 PRO CA 71 SER N -6.28 . . 0.50 66 2JCAN_ 71 SER CA 72 SER N -5.86 . . 0.50 67 2JCAN_ 72 SER CA 73 GLY N -5.87 . . 0.50 68 2JCAN_ 74 PRO CA 75 LYS N -9.11 . . 0.50 69 2JCAN_ 75 LYS CA 76 ARG N -8.68 . . 0.50 70 2JCAN_ 76 ARG CA 77 TYR N -8.68 . . 0.50 71 2JCAN_ 77 TYR CA 78 ASP N -9.14 . . 0.50 72 2JCAN_ 78 ASP CA 79 TRP N -9.16 . . 0.50 73 2JCAN_ 79 TRP CA 80 THR N -8.31 . . 0.50 74 2JCAN_ 80 THR CA 81 GLY N -5.34 . . 0.50 75 2JCAN_ 81 GLY CA 82 LYS N -5.95 . . 0.50 76 2JCAN_ 82 LYS CA 83 ASN N -5.84 . . 0.50 77 2JCAN_ 83 ASN CA 84 TRP N -8.68 . . 0.50 78 2JCAN_ 84 TRP CA 85 VAL N -8.54 . . 0.50 79 2JCAN_ 85 VAL CA 86 TYR N -8.27 . . 0.50 80 2JCAN_ 86 TYR CA 87 SER N -7.67 . . 0.50 81 2JCAN_ 87 SER CA 88 HIS N -4.85 . . 0.50 82 2JCAN_ 88 HIS CA 89 ASP N -6.16 . . 0.50 83 2JCAN_ 89 ASP CA 90 GLY N -5.87 . . 0.50 84 2JCAN_ 90 GLY CA 91 VAL N -6.37 . . 0.50 85 2JCAN_ 91 VAL CA 92 SER N -8.17 . . 0.50 86 2JCAN_ 92 SER CA 93 LEU N -8.83 . . 0.50 87 2JCAN_ 93 LEU CA 94 HIS N -6.31 . . 0.50 88 2JCAN_ 94 HIS CA 95 GLU N -6.06 . . 0.50 89 2JCAN_ 95 GLU CA 96 LEU N -5.97 . . 0.50 90 2JCAN_ 96 LEU CA 97 LEU N -6.17 . . 0.50 91 2JCAN_ 97 LEU CA 98 ALA N -6.19 . . 0.50 92 2JCAN_ 98 ALA CA 99 ALA N -6.11 . . 0.50 93 2JCAN_ 99 ALA CA 100 GLU N -6.12 . . 0.50 94 2JCAN_ 100 GLU CA 101 LEU N -5.74 . . 0.50 95 2JCAN_ 102 THR CA 103 LYS N -5.62 . . 0.50 96 2JCAN_ 103 LYS CA 104 ALA N -6.16 . . 0.50 97 2JCAN_ 104 ALA CA 105 LEU N -6.42 . . 0.50 98 2JCAN_ 105 LEU CA 106 LYS N -5.96 . . 0.50 99 2JCAN_ 106 LYS CA 107 THR N -6.37 . . 0.50 100 2JCAN_ 107 THR CA 108 LYS N -7.90 . . 0.50 101 2JCAN_ 108 LYS CA 109 LEU N -8.36 . . 0.50 102 2JCAN_ 109 LEU CA 110 ASP N -9.24 . . 0.50 103 2JCAN_ 110 ASP CA 111 LEU N -7.10 . . 0.50 104 2JCAN_ 111 LEU CA 112 SER N -6.29 . . 0.50 105 2JCAN_ 113 SER CA 114 LEU N -5.32 . . 0.50 106 2JCAN_ 114 LEU CA 115 ALA N -7.69 . . 0.50 107 2JCAN_ 115 ALA CA 116 TYR N -9.18 . . 0.50 108 2JCAN_ 116 TYR CA 117 SER N -6.19 . . 0.50 109 2JCAN_ 117 SER CA 118 GLY N -5.75 . . 0.50 110 2JCAN_ 118 GLY CA 119 LYS N -7.74 . . 0.50 111 2JCAN_ 119 LYS CA 120 ASP N -7.49 . . 0.50 112 2JCAN_ 120 ASP CA 121 ALA 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 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 2JHNCA 2 ASP H 2 ASP CA -0.12 . . 0.50 2 2JHNCA 3 GLU H 3 GLU CA 2.53 . . 0.50 3 2JHNCA 4 THR H 4 THR CA 3.98 . . 0.50 4 2JHNCA 5 THR H 5 THR CA 2.17 . . 0.50 5 2JHNCA 6 TYR H 6 TYR CA 2.93 . . 0.50 6 2JHNCA 7 GLU H 7 GLU CA 2.70 . . 0.50 7 2JHNCA 8 ARG H 8 ARG CA 2.59 . . 0.50 8 2JHNCA 9 LEU H 9 LEU CA 2.15 . . 0.50 9 2JHNCA 10 ALA H 10 ALA CA 2.19 . . 0.50 10 2JHNCA 11 GLU H 11 GLU CA 2.18 . . 0.50 11 2JHNCA 12 GLU H 12 GLU CA 2.55 . . 0.50 12 2JHNCA 13 THR H 13 THR CA 2.82 . . 0.50 13 2JHNCA 14 LEU H 14 LEU CA 1.93 . . 0.50 14 2JHNCA 15 ASP H 15 ASP CA 2.34 . . 0.50 15 2JHNCA 16 SER H 16 SER CA 2.49 . . 0.50 16 2JHNCA 17 LEU H 17 LEU CA 2.11 . . 0.50 17 2JHNCA 18 ALA H 18 ALA CA 2.31 . . 0.50 18 2JHNCA 19 GLU H 19 GLU CA 2.45 . . 0.50 19 2JHNCA 20 PHE H 20 PHE CA 2.30 . . 0.50 20 2JHNCA 21 PHE H 21 PHE CA 2.85 . . 0.50 21 2JHNCA 22 GLU H 22 GLU CA 1.63 . . 0.50 22 2JHNCA 23 ASP H 23 ASP CA 2.17 . . 0.50 23 2JHNCA 24 LEU H 24 LEU CA 3.30 . . 0.50 24 2JHNCA 25 ALA H 25 ALA CA 3.28 . . 0.50 25 2JHNCA 26 ASP H 26 ASP CA 1.79 . . 0.50 26 2JHNCA 27 LYS H 27 LYS CA 1.72 . . 0.50 27 2JHNCA 29 TYR H 29 TYR CA 2.08 . . 0.50 28 2JHNCA 30 THR H 30 THR CA 1.10 . . 0.50 29 2JHNCA 31 PHE H 31 PHE CA 1.98 . . 0.50 30 2JHNCA 32 GLU H 32 GLU CA 2.12 . . 0.50 31 2JHNCA 33 ASP H 33 ASP CA 0.96 . . 0.50 32 2JHNCA 34 TYR H 34 TYR CA 1.73 . . 0.50 33 2JHNCA 35 ASP H 35 ASP CA 1.77 . . 0.50 34 2JHNCA 36 VAL H 36 VAL CA 1.18 . . 0.50 35 2JHNCA 37 SER H 37 SER CA 1.00 . . 0.50 36 2JHNCA 38 PHE H 38 PHE CA 4.14 . . 0.50 37 2JHNCA 39 GLY H 39 GLY CA 2.06 . . 0.50 38 2JHNCA 40 SER H 40 SER CA 2.42 . . 0.50 39 2JHNCA 41 GLY H 41 GLY CA 2.86 . . 0.50 40 2JHNCA 42 VAL H 42 VAL CA 1.48 . . 0.50 41 2JHNCA 43 LEU H 43 LEU CA 1.21 . . 0.50 42 2JHNCA 44 THR H 44 THR CA 3.04 . . 0.50 43 2JHNCA 45 VAL H 45 VAL CA 1.81 . . 0.50 44 2JHNCA 46 LYS H 46 LYS CA 1.33 . . 0.50 45 2JHNCA 47 LEU H 47 LEU CA 2.50 . . 0.50 46 2JHNCA 48 GLY H 48 GLY CA 1.35 . . 0.50 47 2JHNCA 49 GLY H 49 GLY CA 2.63 . . 0.50 48 2JHNCA 51 LEU H 51 LEU CA 2.00 . . 0.50 49 2JHNCA 52 GLY H 52 GLY CA 1.63 . . 0.50 50 2JHNCA 53 THR H 53 THR CA 0.89 . . 0.50 51 2JHNCA 54 TYR H 54 TYR CA 0.70 . . 0.50 52 2JHNCA 55 VAL H 55 VAL CA 1.04 . . 0.50 53 2JHNCA 56 ILE H 56 ILE CA 1.29 . . 0.50 54 2JHNCA 57 ASN H 57 ASN CA 1.20 . . 0.50 55 2JHNCA 58 LYS H 58 LYS CA 2.19 . . 0.50 56 2JHNCA 59 GLN H 59 GLN CA 2.02 . . 0.50 57 2JHNCA 62 ASN H 62 ASN CA 1.58 . . 0.50 58 2JHNCA 63 LYS H 63 LYS CA 2.25 . . 0.50 59 2JHNCA 64 GLN H 64 GLN CA 2.24 . . 0.50 60 2JHNCA 65 ILE H 65 ILE CA 0.32 . . 0.50 61 2JHNCA 66 TRP H 66 TRP CA 1.22 . . 0.50 62 2JHNCA 67 LEU H 67 LEU CA 0.41 . . 0.50 63 2JHNCA 68 SER H 68 SER CA 1.70 . . 0.50 64 2JHNCA 69 SER H 69 SER CA 0.73 . . 0.50 65 2JHNCA 71 SER H 71 SER CA 1.36 . . 0.50 66 2JHNCA 72 SER H 72 SER CA 1.53 . . 0.50 67 2JHNCA 73 GLY H 73 GLY CA 1.67 . . 0.50 68 2JHNCA 75 LYS H 75 LYS CA 1.25 . . 0.50 69 2JHNCA 76 ARG H 76 ARG CA 1.14 . . 0.50 70 2JHNCA 77 TYR H 77 TYR CA 1.32 . . 0.50 71 2JHNCA 78 ASP H 78 ASP CA -0.87 . . 0.50 72 2JHNCA 79 TRP H 79 TRP CA 1.91 . . 0.50 73 2JHNCA 80 THR H 80 THR CA 2.39 . . 0.50 74 2JHNCA 81 GLY H 81 GLY CA 6.44 . . 0.50 75 2JHNCA 82 LYS H 82 LYS CA 0.76 . . 0.50 76 2JHNCA 83 ASN H 83 ASN CA 1.13 . . 0.50 77 2JHNCA 84 TRP H 84 TRP CA 1.15 . . 0.50 78 2JHNCA 85 VAL H 85 VAL CA 1.52 . . 0.50 79 2JHNCA 86 TYR H 86 TYR CA 2.93 . . 0.50 80 2JHNCA 87 SER H 87 SER CA 2.64 . . 0.50 81 2JHNCA 88 HIS H 88 HIS CA 2.68 . . 0.50 82 2JHNCA 89 ASP H 89 ASP CA 1.44 . . 0.50 83 2JHNCA 90 GLY H 90 GLY CA 1.81 . . 0.50 84 2JHNCA 91 VAL H 91 VAL CA 1.57 . . 0.50 85 2JHNCA 92 SER H 92 SER CA 1.93 . . 0.50 86 2JHNCA 93 LEU H 93 LEU CA 3.13 . . 0.50 87 2JHNCA 94 HIS H 94 HIS CA 1.94 . . 0.50 88 2JHNCA 95 GLU H 95 GLU CA 2.01 . . 0.50 89 2JHNCA 96 LEU H 96 LEU CA 2.13 . . 0.50 90 2JHNCA 97 LEU H 97 LEU CA 2.47 . . 0.50 91 2JHNCA 98 ALA H 98 ALA CA 2.64 . . 0.50 92 2JHNCA 99 ALA H 99 ALA CA 2.42 . . 0.50 93 2JHNCA 100 GLU H 100 GLU CA 2.64 . . 0.50 94 2JHNCA 101 LEU H 101 LEU CA 2.37 . . 0.50 95 2JHNCA 103 LYS H 103 LYS CA 2.45 . . 0.50 96 2JHNCA 104 ALA H 104 ALA CA 2.40 . . 0.50 97 2JHNCA 105 LEU H 105 LEU CA 1.60 . . 0.50 98 2JHNCA 106 LYS H 106 LYS CA 1.84 . . 0.50 99 2JHNCA 107 THR H 107 THR CA 1.65 . . 0.50 100 2JHNCA 108 LYS H 108 LYS CA 2.28 . . 0.50 101 2JHNCA 109 LEU H 109 LEU CA 1.25 . . 0.50 102 2JHNCA 110 ASP H 110 ASP CA 1.37 . . 0.50 103 2JHNCA 112 SER H 112 SER CA 2.74 . . 0.50 104 2JHNCA 114 LEU H 114 LEU CA 2.30 . . 0.50 105 2JHNCA 115 ALA H 115 ALA CA 2.33 . . 0.50 106 2JHNCA 116 TYR H 116 TYR CA 0.57 . . 0.50 107 2JHNCA 117 SER H 117 SER CA 3.79 . . 0.50 108 2JHNCA 118 GLY H 118 GLY CA 2.31 . . 0.50 109 2JHNCA 119 LYS H 119 LYS CA 2.41 . . 0.50 110 2JHNCA 120 ASP H 120 ASP CA 2.44 . . 0.50 111 2JHNCA 121 ALA H 121 ALA CA 1.69 . . 0.50 stop_ save_