data_16579 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2J coupling constants in oxidized Flavodoxin from Desulfovibrio vulgaris (Hildenborough) ; _BMRB_accession_number 16579 _BMRB_flat_file_name bmr16579.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" 536 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-24 update BMRB 'complete entry citation' 2010-02-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15724 '3J coupling constants related to phi-torsions in oxidized flavodoxin' 15725 '3J coupling constants related to chi1-torsions in oxidized flavodoxin' 15904 '1J coupling constants related to the Ca carbons in oxidized Flavodoxin' 16580 '2J coupling constants in Ribonuclease T1' 16581 '2J coupling constants in Frataxin C-terminal domain' 16582 '2J coupling constants in human Ubiquitin' 16583 '2J coupling constants in Xylanase' 16584 '2J coupling constants in DFPase' 5540 '1H, 13C and 15N chemical shift assignments for reduced flavodoxin' 5571 '1H, 13C and 15N chemical shift assignments for oxidized flavodoxin' 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 'Flavodoxin oxidized' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $Flavodoxin ligand $FMN stop_ _System_molecular_weight 16149.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'electron transfer' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Flavodoxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Flavodoxin _Molecular_mass 15693.0 _Mol_thiol_state 'all free' loop_ _Biological_function 'electron transfer' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; PKALIVYGSTTGNTEYTAET IARELADAGYEVDSRDAASV EAGGLFEGFDLVLLGCSTWG DDSIELQDDFIPLFDSLEET GAQGRKVACFGCGDSSYEYF CGAVDAIEEKLKNLGAEIVQ DGLRIDGDPRAARDDIVGWA HDVRGAI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 PRO 2 3 LYS 3 4 ALA 4 5 LEU 5 6 ILE 6 7 VAL 7 8 TYR 8 9 GLY 9 10 SER 10 11 THR 11 12 THR 12 13 GLY 13 14 ASN 14 15 THR 15 16 GLU 16 17 TYR 17 18 THR 18 19 ALA 19 20 GLU 20 21 THR 21 22 ILE 22 23 ALA 23 24 ARG 24 25 GLU 25 26 LEU 26 27 ALA 27 28 ASP 28 29 ALA 29 30 GLY 30 31 TYR 31 32 GLU 32 33 VAL 33 34 ASP 34 35 SER 35 36 ARG 36 37 ASP 37 38 ALA 38 39 ALA 39 40 SER 40 41 VAL 41 42 GLU 42 43 ALA 43 44 GLY 44 45 GLY 45 46 LEU 46 47 PHE 47 48 GLU 48 49 GLY 49 50 PHE 50 51 ASP 51 52 LEU 52 53 VAL 53 54 LEU 54 55 LEU 55 56 GLY 56 57 CYS 57 58 SER 58 59 THR 59 60 TRP 60 61 GLY 61 62 ASP 62 63 ASP 63 64 SER 64 65 ILE 65 66 GLU 66 67 LEU 67 68 GLN 68 69 ASP 69 70 ASP 70 71 PHE 71 72 ILE 72 73 PRO 73 74 LEU 74 75 PHE 75 76 ASP 76 77 SER 77 78 LEU 78 79 GLU 79 80 GLU 80 81 THR 81 82 GLY 82 83 ALA 83 84 GLN 84 85 GLY 85 86 ARG 86 87 LYS 87 88 VAL 88 89 ALA 89 90 CYS 90 91 PHE 91 92 GLY 92 93 CYS 93 94 GLY 94 95 ASP 95 96 SER 96 97 SER 97 98 TYR 98 99 GLU 99 100 TYR 100 101 PHE 101 102 CYS 102 103 GLY 103 104 ALA 104 105 VAL 105 106 ASP 106 107 ALA 107 108 ILE 108 109 GLU 109 110 GLU 110 111 LYS 111 112 LEU 112 113 LYS 113 114 ASN 114 115 LEU 115 116 GLY 116 117 ALA 117 118 GLU 118 119 ILE 119 120 VAL 120 121 GLN 121 122 ASP 122 123 GLY 123 124 LEU 124 125 ARG 125 126 ILE 126 127 ASP 127 128 GLY 128 129 ASP 129 130 PRO 130 131 ARG 131 132 ALA 132 133 ALA 133 134 ARG 134 135 ASP 135 136 ASP 136 137 ILE 137 138 VAL 138 139 GLY 139 140 TRP 140 141 ALA 141 142 HIS 142 143 ASP 143 144 VAL 144 145 ARG 145 146 GLY 146 147 ALA 147 148 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 15724 Flavodoxin 100.00 147 100.00 100.00 4.43e-99 BMRB 15725 Flavodoxin 100.00 147 100.00 100.00 4.43e-99 BMRB 15904 Flavodoxin 100.00 147 100.00 100.00 4.43e-99 PDB 1AKQ "D95a Oxidized Flavodoxin Mutant From D. Vulgaris" 100.00 147 99.32 99.32 3.73e-98 PDB 1AKR "G61a Oxidized Flavodoxin Mutant" 100.00 147 99.32 99.32 1.72e-98 PDB 1AKT "G61n Oxidized Flavodoxin Mutant" 100.00 147 99.32 99.32 1.81e-98 PDB 1AKU "D95a Hydroquinone Flavodoxin Mutant From D. Vulgaris" 100.00 147 99.32 99.32 3.73e-98 PDB 1AKV "D95a Semiquinone Flavodoxin Mutant From D. Vulgaris" 100.00 147 99.32 99.32 3.73e-98 PDB 1AKW "G61l Oxidized Flavodoxin Mutant" 100.00 147 99.32 99.32 7.34e-98 PDB 1AZL "G61v Flavodoxin Mutant From Desulfovibrio Vulgaris" 100.00 147 99.32 99.32 5.77e-98 PDB 1BU5 "X-Ray Crystal Structure Of The Desulfovibrio Vulgaris (Hildenborough) Apoflavodoxin-Riboflavin Complex" 100.00 147 100.00 100.00 4.43e-99 PDB 1C7E "D95e Hydroquinone Flavodoxin Mutant From D. Vulgaris" 100.00 147 99.32 100.00 1.61e-98 PDB 1C7F "D95e Oxidized Flavodoxin Mutant From D. Vulgaris" 100.00 147 99.32 100.00 1.61e-98 PDB 1F4P "Y98w Flavodoxin Mutant 1.5a (D. Vulgaris)" 100.00 147 99.32 100.00 2.87e-98 PDB 1FX1 "A Crystallographic Structural Study Of The Oxidation States Of Desulfovibrio Vulgaris Flavodoxin" 100.00 148 98.64 100.00 1.81e-98 PDB 1I1O "Room Temperature Crystal Structure Flavodoxin D. Vulgaris Mutant Y98h At 2.0 Ang. Resolution" 99.32 147 99.32 100.00 2.61e-97 PDB 1J8Q "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris Wild-Type At 1.35 Angstrom Resolution" 99.32 147 100.00 100.00 6.51e-98 PDB 1J9E "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris S35c Mutant At 1.44 Angstrom Resolution" 99.32 147 99.32 99.32 6.38e-97 PDB 1J9G "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris S64c Mutant, Monomer Oxidised, At 2.4 Angstrom Resolution" 99.32 147 99.32 99.32 6.38e-97 PDB 1WSB "Flavodoxin Mutant- S64c" 99.32 148 99.32 99.32 4.40e-97 PDB 1WSW "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Dimer, Semiquinone State" 99.32 148 99.32 99.32 4.40e-97 PDB 1XT6 "S35c Flavodoxin Mutant In The Semiquinone State" 99.32 147 99.32 99.32 6.38e-97 PDB 1XYV "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Monomer, Semiquinone State" 99.32 148 99.32 99.32 4.40e-97 PDB 1XYY "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Homodimer, Oxidised State" 99.32 148 99.32 99.32 4.40e-97 PDB 2FX2 "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" 99.32 147 100.00 100.00 6.51e-98 PDB 3FX2 "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" 99.32 147 100.00 100.00 6.51e-98 PDB 4FX2 "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" 99.32 147 100.00 100.00 6.51e-98 PDB 5FX2 "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" 99.32 147 100.00 100.00 6.51e-98 GB AAA23367 "flavodoxin [Desulfovibrio vulgaris]" 100.00 148 100.00 100.00 3.45e-99 GB AAS97152 "flavodoxin [Desulfovibrio vulgaris str. Hildenborough]" 100.00 148 100.00 100.00 3.45e-99 GB ABM27599 "flavodoxin [Desulfovibrio vulgaris DP4]" 100.00 148 97.28 98.64 3.99e-97 GB ADP87615 "flavodoxin [Desulfovibrio vulgaris RCH1]" 100.00 148 100.00 100.00 3.45e-99 PRF 1501261A flavodoxin 100.00 148 100.00 100.00 3.45e-99 PRF 1804236A flavodoxin 100.00 148 100.00 100.00 3.45e-99 REF WP_010939949 "flavodoxin [Desulfovibrio vulgaris]" 100.00 148 100.00 100.00 3.45e-99 REF WP_011791702 "flavodoxin [Desulfovibrio vulgaris]" 100.00 148 97.28 98.64 3.99e-97 REF YP_011892 "flavodoxin [Desulfovibrio vulgaris str. Hildenborough]" 100.00 148 100.00 100.00 3.45e-99 SP P00323 "RecName: Full=Flavodoxin" 100.00 148 100.00 100.00 3.45e-99 stop_ save_ ############# # Ligands # ############# save_FMN _Saveframe_category ligand _Mol_type non-polymer _Name_common "FMN (FLAVIN MONONUCLEOTIDE)" _BMRB_code . _PDB_code FMN _Molecular_mass 456.344 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:07:53 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4A C4A C . 0 . ? N5 N5 N . 0 . ? C5A C5A C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C7M C7M C . 0 . ? C8 C8 C . 0 . ? C8M C8M C . 0 . ? C9 C9 C . 0 . ? C9A C9A C . 0 . ? N10 N10 N . 0 . ? C10 C10 C . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? HM71 HM71 H . 0 . ? HM72 HM72 H . 0 . ? HM73 HM73 H . 0 . ? HM81 HM81 H . 0 . ? HM82 HM82 H . 0 . ? HM83 HM83 H . 0 . ? H9 H9 H . 0 . ? H1'1 H1'1 H . 0 . ? H1'2 H1'2 H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? HO4' HO4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? DOUB N1 C10 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? DOUB C4A N5 ? ? SING C4A C10 ? ? SING N5 C5A ? ? DOUB C5A C6 ? ? SING C5A C9A ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING C7 C7M ? ? DOUB C7 C8 ? ? SING C7M HM71 ? ? SING C7M HM72 ? ? SING C7M HM73 ? ? SING C8 C8M ? ? SING C8 C9 ? ? SING C8M HM81 ? ? SING C8M HM82 ? ? SING C8M HM83 ? ? DOUB C9 C9A ? ? SING C9 H9 ? ? SING C9A N10 ? ? SING N10 C10 ? ? SING N10 C1' ? ? SING C1' C2' ? ? SING C1' H1'1 ? ? SING C1' H1'2 ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' HO4' ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? 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 _Strain $Flavodoxin 'Desulfovibrio vulgaris' 882 Eubacteria . Desulfovibrio vulgaris Hildenborough 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 $Flavodoxin 'recombinant technology' . Escherichia coli TG2 pDKFL300 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 $Flavodoxin 2.1 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 10 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 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 Avance _Field_strength 700 _Details '1H{13C,15N}-triple-resonance z-gradient 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_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_ct-[15N,1H]-TROSY-iHNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled ct-[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_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_ct-(15N_1H)-TROSY-iHNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D Ha-coupled ct-[15N,1H]-TROSY-iHNCA' _BMRB_pulse_sequence_accession_number . _Details ; Permi, 2003; 2JN_HA measurement; 28-ms constant-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 7.0 . pH pressure 1 . atm temperature 300 . 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 PRO CA 2 LYS N -9.04 . . 0.50 2 2JCAN_ 2 LYS CA 3 ALA N -8.44 . . 0.50 3 2JCAN_ 3 ALA CA 4 LEU N -9.41 . . 0.50 4 2JCAN_ 4 LEU CA 5 ILE N -8.22 . . 0.50 5 2JCAN_ 5 ILE CA 6 VAL N -8.08 . . 0.50 6 2JCAN_ 6 VAL CA 7 TYR N -8.25 . . 0.50 7 2JCAN_ 7 TYR CA 8 GLY N -9.30 . . 0.50 8 2JCAN_ 8 GLY CA 9 SER N -9.67 . . 0.50 9 2JCAN_ 9 SER CA 10 THR N -8.46 . . 0.50 10 2JCAN_ 10 THR CA 11 THR N -5.90 . . 0.50 11 2JCAN_ 11 THR CA 12 GLY N -5.77 . . 0.50 12 2JCAN_ 12 GLY CA 13 ASN N -5.62 . . 0.50 13 2JCAN_ 13 ASN CA 14 THR N -6.29 . . 0.50 14 2JCAN_ 14 THR CA 15 GLU N -5.10 . . 0.50 15 2JCAN_ 15 GLU CA 16 TYR N -6.39 . . 0.50 16 2JCAN_ 16 TYR CA 17 THR N -5.78 . . 0.50 17 2JCAN_ 17 THR CA 18 ALA N -4.81 . . 0.50 18 2JCAN_ 18 ALA CA 19 GLU N -6.42 . . 0.50 19 2JCAN_ 19 GLU CA 20 THR N -6.29 . . 0.50 20 2JCAN_ 20 THR CA 21 ILE N -5.51 . . 0.50 21 2JCAN_ 21 ILE CA 22 ALA N -6.02 . . 0.50 22 2JCAN_ 22 ALA CA 23 ARG N -6.42 . . 0.50 23 2JCAN_ 23 ARG CA 24 GLU N -6.08 . . 0.50 24 2JCAN_ 24 GLU CA 25 LEU N -5.79 . . 0.50 25 2JCAN_ 25 LEU CA 26 ALA N -5.98 . . 0.50 26 2JCAN_ 26 ALA CA 27 ASP N -5.78 . . 0.50 27 2JCAN_ 27 ASP CA 28 ALA N -5.96 . . 0.50 28 2JCAN_ 28 ALA CA 29 GLY N -6.46 . . 0.50 29 2JCAN_ 29 GLY CA 30 TYR N -5.84 . . 0.50 30 2JCAN_ 30 TYR CA 31 GLU N -8.58 . . 0.50 31 2JCAN_ 31 GLU CA 32 VAL N -8.22 . . 0.50 32 2JCAN_ 32 VAL CA 33 ASP N -8.29 . . 0.50 33 2JCAN_ 33 ASP CA 34 SER N -8.72 . . 0.50 34 2JCAN_ 34 SER CA 35 ARG N -8.23 . . 0.50 35 2JCAN_ 35 ARG CA 36 ASP N -9.16 . . 0.50 36 2JCAN_ 36 ASP CA 37 ALA N -7.92 . . 0.50 37 2JCAN_ 37 ALA CA 38 ALA N -6.17 . . 0.50 38 2JCAN_ 38 ALA CA 39 SER N -6.27 . . 0.50 39 2JCAN_ 39 SER CA 40 VAL N -5.56 . . 0.50 40 2JCAN_ 40 VAL CA 41 GLU N -8.68 . . 0.50 41 2JCAN_ 41 GLU CA 42 ALA N -8.31 . . 0.50 42 2JCAN_ 42 ALA CA 43 GLY N -6.83 . . 0.50 43 2JCAN_ 43 GLY CA 44 GLY N -9.12 . . 0.50 44 2JCAN_ 44 GLY CA 45 LEU N -6.06 . . 0.50 45 2JCAN_ 45 LEU CA 46 PHE N -6.13 . . 0.50 46 2JCAN_ 46 PHE CA 47 GLU N -6.28 . . 0.50 47 2JCAN_ 47 GLU CA 48 GLY N -9.10 . . 0.50 48 2JCAN_ 48 GLY CA 49 PHE N -6.10 . . 0.50 49 2JCAN_ 49 PHE CA 50 ASP N -8.43 . . 0.50 50 2JCAN_ 50 ASP CA 51 LEU N -6.48 . . 0.50 51 2JCAN_ 51 LEU CA 52 VAL N -8.25 . . 0.50 52 2JCAN_ 52 VAL CA 53 LEU N -8.35 . . 0.50 53 2JCAN_ 53 LEU CA 54 LEU N -9.05 . . 0.50 54 2JCAN_ 54 LEU CA 55 GLY N -9.20 . . 0.50 55 2JCAN_ 55 GLY CA 56 CYS N -8.91 . . 0.50 56 2JCAN_ 56 CYS CA 57 SER N -8.33 . . 0.50 57 2JCAN_ 57 SER CA 58 THR N -9.44 . . 0.50 58 2JCAN_ 58 THR CA 59 TRP N -8.63 . . 0.50 59 2JCAN_ 59 TRP CA 60 GLY N -8.80 . . 0.50 60 2JCAN_ 60 GLY CA 61 ASP N -8.75 . . 0.50 61 2JCAN_ 61 ASP CA 62 ASP N -6.90 . . 0.50 62 2JCAN_ 62 ASP CA 63 SER N -6.36 . . 0.50 63 2JCAN_ 63 SER CA 64 ILE N -8.15 . . 0.50 64 2JCAN_ 64 ILE CA 65 GLU N -8.02 . . 0.50 65 2JCAN_ 65 GLU CA 66 LEU N -8.03 . . 0.50 66 2JCAN_ 66 LEU CA 67 GLN N -9.09 . . 0.50 67 2JCAN_ 67 GLN CA 68 ASP N -8.74 . . 0.50 68 2JCAN_ 68 ASP CA 69 ASP N -6.14 . . 0.50 69 2JCAN_ 69 ASP CA 70 PHE N -6.31 . . 0.50 70 2JCAN_ 70 PHE CA 71 ILE N -6.09 . . 0.50 71 2JCAN_ 72 PRO CA 73 LEU N -5.99 . . 0.50 72 2JCAN_ 73 LEU CA 74 PHE N -6.66 . . 0.50 73 2JCAN_ 74 PHE CA 75 ASP N -5.76 . . 0.50 74 2JCAN_ 75 ASP CA 76 SER N -6.28 . . 0.50 75 2JCAN_ 76 SER CA 77 LEU N -5.25 . . 0.50 76 2JCAN_ 77 LEU CA 78 GLU N -5.33 . . 0.50 77 2JCAN_ 78 GLU CA 79 GLU N -5.79 . . 0.50 78 2JCAN_ 79 GLU CA 80 THR N -5.86 . . 0.50 79 2JCAN_ 80 THR CA 81 GLY N -5.97 . . 0.50 80 2JCAN_ 81 GLY CA 82 ALA N -6.42 . . 0.50 81 2JCAN_ 82 ALA CA 83 GLN N -6.72 . . 0.50 82 2JCAN_ 83 GLN CA 84 GLY N -8.86 . . 0.50 83 2JCAN_ 84 GLY CA 85 ARG N -6.28 . . 0.50 84 2JCAN_ 85 ARG CA 86 LYS N -8.56 . . 0.50 85 2JCAN_ 86 LYS CA 87 VAL N -9.23 . . 0.50 86 2JCAN_ 87 VAL CA 88 ALA N -8.30 . . 0.50 87 2JCAN_ 88 ALA CA 89 CYS N -8.78 . . 0.50 88 2JCAN_ 89 CYS CA 90 PHE N -9.36 . . 0.50 89 2JCAN_ 90 PHE CA 91 GLY N -8.73 . . 0.50 90 2JCAN_ 91 GLY CA 92 CYS N -10.09 . . 0.50 91 2JCAN_ 92 CYS CA 93 GLY N -9.72 . . 0.50 92 2JCAN_ 93 GLY CA 94 ASP N -8.51 . . 0.50 93 2JCAN_ 94 ASP CA 95 SER N -8.65 . . 0.50 94 2JCAN_ 95 SER CA 96 SER N -5.03 . . 0.50 95 2JCAN_ 96 SER CA 97 TYR N -5.19 . . 0.50 96 2JCAN_ 97 TYR CA 98 GLU N -9.10 . . 0.50 97 2JCAN_ 98 GLU CA 99 TYR N -6.49 . . 0.50 98 2JCAN_ 99 TYR CA 100 PHE N -6.73 . . 0.50 99 2JCAN_ 100 PHE CA 101 CYS N -7.68 . . 0.50 100 2JCAN_ 101 CYS CA 102 GLY N -6.39 . . 0.50 101 2JCAN_ 102 GLY CA 103 ALA N -6.06 . . 0.50 102 2JCAN_ 103 ALA CA 104 VAL N -6.78 . . 0.50 103 2JCAN_ 104 VAL CA 105 ASP N -5.90 . . 0.50 104 2JCAN_ 105 ASP CA 106 ALA N -5.82 . . 0.50 105 2JCAN_ 106 ALA CA 107 ILE N -6.19 . . 0.50 106 2JCAN_ 107 ILE CA 108 GLU N -5.83 . . 0.50 107 2JCAN_ 108 GLU CA 109 GLU N -6.59 . . 0.50 108 2JCAN_ 109 GLU CA 110 LYS N -6.22 . . 0.50 109 2JCAN_ 110 LYS CA 111 LEU N -6.12 . . 0.50 110 2JCAN_ 111 LEU CA 112 LYS N -6.07 . . 0.50 111 2JCAN_ 112 LYS CA 113 ASN N -5.70 . . 0.50 112 2JCAN_ 113 ASN CA 114 LEU N -6.00 . . 0.50 113 2JCAN_ 114 LEU CA 115 GLY N -6.35 . . 0.50 114 2JCAN_ 115 GLY CA 116 ALA N -5.69 . . 0.50 115 2JCAN_ 116 ALA CA 117 GLU N -8.86 . . 0.50 116 2JCAN_ 117 GLU CA 118 ILE N -8.33 . . 0.50 117 2JCAN_ 118 ILE CA 119 VAL N -7.49 . . 0.50 118 2JCAN_ 119 VAL CA 120 GLN N -5.68 . . 0.50 119 2JCAN_ 120 GLN CA 121 ASP N -8.27 . . 0.50 120 2JCAN_ 121 ASP CA 122 GLY N -9.39 . . 0.50 121 2JCAN_ 122 GLY CA 123 LEU N -9.33 . . 0.50 122 2JCAN_ 123 LEU CA 124 ARG N -8.58 . . 0.50 123 2JCAN_ 124 ARG CA 125 ILE N -8.49 . . 0.50 124 2JCAN_ 125 ILE CA 126 ASP N -8.72 . . 0.50 125 2JCAN_ 126 ASP CA 127 GLY N -8.53 . . 0.50 126 2JCAN_ 127 GLY CA 128 ASP N -9.28 . . 0.50 127 2JCAN_ 129 PRO CA 130 ARG N -5.96 . . 0.50 128 2JCAN_ 130 ARG CA 131 ALA N -5.78 . . 0.50 129 2JCAN_ 131 ALA CA 132 ALA N -6.20 . . 0.50 130 2JCAN_ 132 ALA CA 133 ARG N -6.02 . . 0.50 131 2JCAN_ 133 ARG CA 134 ASP N -5.96 . . 0.50 132 2JCAN_ 134 ASP CA 135 ASP N -5.72 . . 0.50 133 2JCAN_ 135 ASP CA 136 ILE N -5.97 . . 0.50 134 2JCAN_ 136 ILE CA 137 VAL N -6.36 . . 0.50 135 2JCAN_ 137 VAL CA 138 GLY N -6.43 . . 0.50 136 2JCAN_ 138 GLY CA 139 TRP N -6.47 . . 0.50 137 2JCAN_ 139 TRP CA 140 ALA N -6.14 . . 0.50 138 2JCAN_ 140 ALA CA 141 HIS N -6.93 . . 0.50 139 2JCAN_ 141 HIS CA 142 ASP N -5.87 . . 0.50 140 2JCAN_ 142 ASP CA 143 VAL N -5.95 . . 0.50 141 2JCAN_ 143 VAL CA 144 ARG N -6.07 . . 0.50 142 2JCAN_ 144 ARG CA 145 GLY N -6.29 . . 0.50 143 2JCAN_ 145 GLY CA 146 ALA N -6.35 . . 0.50 144 2JCAN_ 146 ALA CA 147 ILE N -6.23 . . 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 2 LYS H 2 LYS CA 0.88 . . 0.50 2 2JHNCA 3 ALA H 3 ALA CA 1.24 . . 0.50 3 2JHNCA 4 LEU H 4 LEU CA 1.38 . . 0.50 4 2JHNCA 5 ILE H 5 ILE CA 1.74 . . 0.50 5 2JHNCA 6 VAL H 6 VAL CA 1.33 . . 0.50 6 2JHNCA 7 TYR H 7 TYR CA 1.22 . . 0.50 7 2JHNCA 8 GLY H 8 GLY CA 1.32 . . 0.50 8 2JHNCA 9 SER H 9 SER CA 2.39 . . 0.50 9 2JHNCA 10 THR H 10 THR CA 2.01 . . 0.50 10 2JHNCA 11 THR H 11 THR CA 1.46 . . 0.50 11 2JHNCA 12 GLY H 12 GLY CA 2.03 . . 0.50 12 2JHNCA 13 ASN H 13 ASN CA 3.10 . . 0.50 13 2JHNCA 14 THR H 14 THR CA 2.48 . . 0.50 14 2JHNCA 15 GLU H 15 GLU CA 2.33 . . 0.50 15 2JHNCA 16 TYR H 16 TYR CA 2.40 . . 0.50 16 2JHNCA 18 ALA H 18 ALA CA 2.42 . . 0.50 17 2JHNCA 19 GLU H 19 GLU CA 2.61 . . 0.50 18 2JHNCA 20 THR H 20 THR CA 2.88 . . 0.50 19 2JHNCA 21 ILE H 21 ILE CA 2.22 . . 0.50 20 2JHNCA 22 ALA H 22 ALA CA 2.64 . . 0.50 21 2JHNCA 23 ARG H 23 ARG CA 2.49 . . 0.50 22 2JHNCA 24 GLU H 24 GLU CA 2.52 . . 0.50 23 2JHNCA 25 LEU H 25 LEU CA 2.26 . . 0.50 24 2JHNCA 26 ALA H 26 ALA CA 2.73 . . 0.50 25 2JHNCA 27 ASP H 27 ASP CA 2.84 . . 0.50 26 2JHNCA 28 ALA H 28 ALA CA 2.06 . . 0.50 27 2JHNCA 29 GLY H 29 GLY CA 2.10 . . 0.50 28 2JHNCA 30 TYR H 30 TYR CA 2.08 . . 0.50 29 2JHNCA 31 GLU H 31 GLU CA 1.32 . . 0.50 30 2JHNCA 32 VAL H 32 VAL CA 1.22 . . 0.50 31 2JHNCA 33 ASP H 33 ASP CA 1.09 . . 0.50 32 2JHNCA 34 SER H 34 SER CA 1.34 . . 0.50 33 2JHNCA 35 ARG H 35 ARG CA 1.13 . . 0.50 34 2JHNCA 36 ASP H 36 ASP CA 1.73 . . 0.50 35 2JHNCA 37 ALA H 37 ALA CA 3.27 . . 0.50 36 2JHNCA 38 ALA H 38 ALA CA 2.96 . . 0.50 37 2JHNCA 39 SER H 39 SER CA 2.26 . . 0.50 38 2JHNCA 40 VAL H 40 VAL CA 1.90 . . 0.50 39 2JHNCA 41 GLU H 41 GLU CA 1.65 . . 0.50 40 2JHNCA 42 ALA H 42 ALA CA 2.95 . . 0.50 41 2JHNCA 43 GLY H 43 GLY CA 2.14 . . 0.50 42 2JHNCA 44 GLY H 44 GLY CA 2.33 . . 0.50 43 2JHNCA 45 LEU H 45 LEU CA 2.04 . . 0.50 44 2JHNCA 46 PHE H 46 PHE CA 1.63 . . 0.50 45 2JHNCA 47 GLU H 47 GLU CA 2.50 . . 0.50 46 2JHNCA 48 GLY H 48 GLY CA 1.99 . . 0.50 47 2JHNCA 49 PHE H 49 PHE CA 1.36 . . 0.50 48 2JHNCA 50 ASP H 50 ASP CA 1.31 . . 0.50 49 2JHNCA 51 LEU H 51 LEU CA 1.18 . . 0.50 50 2JHNCA 52 VAL H 52 VAL CA 1.15 . . 0.50 51 2JHNCA 53 LEU H 53 LEU CA 1.39 . . 0.50 52 2JHNCA 54 LEU H 54 LEU CA 2.06 . . 0.50 53 2JHNCA 55 GLY H 55 GLY CA 1.68 . . 0.50 54 2JHNCA 56 CYS H 56 CYS CA 3.07 . . 0.50 55 2JHNCA 57 SER H 57 SER CA 2.01 . . 0.50 56 2JHNCA 58 THR H 58 THR CA 2.08 . . 0.50 57 2JHNCA 59 TRP H 59 TRP CA 0.71 . . 0.50 58 2JHNCA 60 GLY H 60 GLY CA 0.47 . . 0.50 59 2JHNCA 61 ASP H 61 ASP CA 2.29 . . 0.50 60 2JHNCA 62 ASP H 62 ASP CA 0.60 . . 0.50 61 2JHNCA 63 SER H 63 SER CA 1.35 . . 0.50 62 2JHNCA 64 ILE H 64 ILE CA 1.75 . . 0.50 63 2JHNCA 65 GLU H 65 GLU CA 1.04 . . 0.50 64 2JHNCA 66 LEU H 66 LEU CA 0.75 . . 0.50 65 2JHNCA 67 GLN H 67 GLN CA 2.53 . . 0.50 66 2JHNCA 69 ASP H 69 ASP CA 2.63 . . 0.50 67 2JHNCA 70 PHE H 70 PHE CA 0.79 . . 0.50 68 2JHNCA 71 ILE H 71 ILE CA 2.73 . . 0.50 69 2JHNCA 73 LEU H 73 LEU CA 1.79 . . 0.50 70 2JHNCA 74 PHE H 74 PHE CA 2.52 . . 0.50 71 2JHNCA 75 ASP H 75 ASP CA 2.90 . . 0.50 72 2JHNCA 76 SER H 76 SER CA 1.31 . . 0.50 73 2JHNCA 77 LEU H 77 LEU CA 2.42 . . 0.50 74 2JHNCA 78 GLU H 78 GLU CA 2.36 . . 0.50 75 2JHNCA 79 GLU H 79 GLU CA 2.32 . . 0.50 76 2JHNCA 80 THR H 80 THR CA 2.45 . . 0.50 77 2JHNCA 81 GLY H 81 GLY CA 1.74 . . 0.50 78 2JHNCA 82 ALA H 82 ALA CA 2.79 . . 0.50 79 2JHNCA 83 GLN H 83 GLN CA 2.63 . . 0.50 80 2JHNCA 84 GLY H 84 GLY CA 2.12 . . 0.50 81 2JHNCA 86 LYS H 86 LYS CA 2.31 . . 0.50 82 2JHNCA 87 VAL H 87 VAL CA 0.85 . . 0.50 83 2JHNCA 88 ALA H 88 ALA CA 2.08 . . 0.50 84 2JHNCA 89 CYS H 89 CYS CA 0.39 . . 0.50 85 2JHNCA 90 PHE H 90 PHE CA 1.45 . . 0.50 86 2JHNCA 91 GLY H 91 GLY CA 2.17 . . 0.50 87 2JHNCA 92 CYS H 92 CYS CA 1.06 . . 0.50 88 2JHNCA 93 GLY H 93 GLY CA 1.17 . . 0.50 89 2JHNCA 94 ASP H 94 ASP CA 2.17 . . 0.50 90 2JHNCA 95 SER H 95 SER CA 2.91 . . 0.50 91 2JHNCA 96 SER H 96 SER CA 2.22 . . 0.50 92 2JHNCA 98 GLU H 98 GLU CA 2.34 . . 0.50 93 2JHNCA 99 TYR H 99 TYR CA 1.51 . . 0.50 94 2JHNCA 100 PHE H 100 PHE CA 2.64 . . 0.50 95 2JHNCA 101 CYS H 101 CYS CA 2.90 . . 0.50 96 2JHNCA 102 GLY H 102 GLY CA 2.87 . . 0.50 97 2JHNCA 104 VAL H 104 VAL CA 1.68 . . 0.50 98 2JHNCA 105 ASP H 105 ASP CA 2.34 . . 0.50 99 2JHNCA 107 ILE H 107 ILE CA 2.16 . . 0.50 100 2JHNCA 108 GLU H 108 GLU CA 2.66 . . 0.50 101 2JHNCA 109 GLU H 109 GLU CA 2.53 . . 0.50 102 2JHNCA 110 LYS H 110 LYS CA 2.56 . . 0.50 103 2JHNCA 111 LEU H 111 LEU CA 2.28 . . 0.50 104 2JHNCA 112 LYS H 112 LYS CA 2.81 . . 0.50 105 2JHNCA 114 LEU H 114 LEU CA 2.06 . . 0.50 106 2JHNCA 115 GLY H 115 GLY CA 2.07 . . 0.50 107 2JHNCA 116 ALA H 116 ALA CA 1.40 . . 0.50 108 2JHNCA 118 ILE H 118 ILE CA 1.81 . . 0.50 109 2JHNCA 119 VAL H 119 VAL CA 2.80 . . 0.50 110 2JHNCA 120 GLN H 120 GLN CA 2.28 . . 0.50 111 2JHNCA 122 GLY H 122 GLY CA 1.64 . . 0.50 112 2JHNCA 123 LEU H 123 LEU CA 2.35 . . 0.50 113 2JHNCA 124 ARG H 124 ARG CA 1.71 . . 0.50 114 2JHNCA 125 ILE H 125 ILE CA 1.37 . . 0.50 115 2JHNCA 126 ASP H 126 ASP CA 1.18 . . 0.50 116 2JHNCA 127 GLY H 127 GLY CA 2.41 . . 0.50 117 2JHNCA 130 ARG H 130 ARG CA 2.27 . . 0.50 118 2JHNCA 131 ALA H 131 ALA CA 2.08 . . 0.50 119 2JHNCA 132 ALA H 132 ALA CA 1.10 . . 0.50 120 2JHNCA 133 ARG H 133 ARG CA 2.68 . . 0.50 121 2JHNCA 134 ASP H 134 ASP CA 2.65 . . 0.50 122 2JHNCA 136 ILE H 136 ILE CA 2.34 . . 0.50 123 2JHNCA 137 VAL H 137 VAL CA 2.88 . . 0.50 124 2JHNCA 138 GLY H 138 GLY CA 2.23 . . 0.50 125 2JHNCA 139 TRP H 139 TRP CA 2.62 . . 0.50 126 2JHNCA 140 ALA H 140 ALA CA 2.82 . . 0.50 127 2JHNCA 141 HIS H 141 HIS CA 2.21 . . 0.50 128 2JHNCA 143 VAL H 143 VAL CA 2.54 . . 0.50 129 2JHNCA 144 ARG H 144 ARG CA 3.09 . . 0.50 130 2JHNCA 145 GLY H 145 GLY CA 1.88 . . 0.50 131 2JHNCA 146 ALA H 146 ALA CA 1.91 . . 0.50 132 2JHNCA 147 ILE H 147 ILE CA 1.66 . . 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 1 PRO C 2 LYS H 3.78 . . 0.50 2 2JCOHN 2 LYS C 3 ALA H 3.88 . . 0.50 3 2JCOHN 3 ALA C 4 LEU H 4.14 . . 0.50 4 2JCOHN 4 LEU C 5 ILE H 3.94 . . 0.50 5 2JCOHN 5 ILE C 6 VAL H 4.08 . . 0.50 6 2JCOHN 6 VAL C 7 TYR H 4.06 . . 0.50 7 2JCOHN 7 TYR C 8 GLY H 4.05 . . 0.50 8 2JCOHN 8 GLY C 9 SER H 3.82 . . 0.50 9 2JCOHN 9 SER C 10 THR H 4.51 . . 0.50 10 2JCOHN 10 THR C 11 THR H 5.09 . . 0.50 11 2JCOHN 11 THR C 12 GLY H 4.62 . . 0.50 12 2JCOHN 12 GLY C 13 ASN H 4.37 . . 0.50 13 2JCOHN 13 ASN C 14 THR H 3.88 . . 0.50 14 2JCOHN 14 THR C 15 GLU H 3.70 . . 0.50 15 2JCOHN 15 GLU C 16 TYR H 4.48 . . 0.50 16 2JCOHN 16 TYR C 17 THR H 3.43 . . 0.50 17 2JCOHN 17 THR C 18 ALA H 4.22 . . 0.50 18 2JCOHN 18 ALA C 19 GLU H 3.90 . . 0.50 19 2JCOHN 19 GLU C 20 THR H 3.79 . . 0.50 20 2JCOHN 20 THR C 21 ILE H 4.04 . . 0.50 21 2JCOHN 21 ILE C 22 ALA H 4.14 . . 0.50 22 2JCOHN 22 ALA C 23 ARG H 4.22 . . 0.50 23 2JCOHN 23 ARG C 24 GLU H 4.01 . . 0.50 24 2JCOHN 24 GLU C 25 LEU H 4.22 . . 0.50 25 2JCOHN 25 LEU C 26 ALA H 3.71 . . 0.50 26 2JCOHN 26 ALA C 27 ASP H 4.22 . . 0.50 27 2JCOHN 27 ASP C 28 ALA H 4.02 . . 0.50 28 2JCOHN 28 ALA C 29 GLY H 4.50 . . 0.50 29 2JCOHN 29 GLY C 30 TYR H 4.11 . . 0.50 30 2JCOHN 30 TYR C 31 GLU H 3.65 . . 0.50 31 2JCOHN 31 GLU C 32 VAL H 4.21 . . 0.50 32 2JCOHN 32 VAL C 33 ASP H 4.05 . . 0.50 33 2JCOHN 33 ASP C 34 SER H 3.91 . . 0.50 34 2JCOHN 34 SER C 35 ARG H 3.93 . . 0.50 35 2JCOHN 35 ARG C 36 ASP H 3.86 . . 0.50 36 2JCOHN 36 ASP C 37 ALA H 3.59 . . 0.50 37 2JCOHN 37 ALA C 38 ALA H 4.14 . . 0.50 38 2JCOHN 38 ALA C 39 SER H 3.96 . . 0.50 39 2JCOHN 39 SER C 40 VAL H 3.96 . . 0.50 40 2JCOHN 40 VAL C 41 GLU H 3.99 . . 0.50 41 2JCOHN 41 GLU C 42 ALA H 4.16 . . 0.50 42 2JCOHN 42 ALA C 43 GLY H 4.88 . . 0.50 43 2JCOHN 43 GLY C 44 GLY H 4.00 . . 0.50 44 2JCOHN 44 GLY C 45 LEU H 3.60 . . 0.50 45 2JCOHN 45 LEU C 46 PHE H 3.72 . . 0.50 46 2JCOHN 46 PHE C 47 GLU H 3.90 . . 0.50 47 2JCOHN 47 GLU C 48 GLY H 4.53 . . 0.50 48 2JCOHN 48 GLY C 49 PHE H 4.13 . . 0.50 49 2JCOHN 49 PHE C 50 ASP H 4.16 . . 0.50 50 2JCOHN 50 ASP C 51 LEU H 4.15 . . 0.50 51 2JCOHN 51 LEU C 52 VAL H 4.21 . . 0.50 52 2JCOHN 52 VAL C 53 LEU H 3.93 . . 0.50 53 2JCOHN 53 LEU C 54 LEU H 3.41 . . 0.50 54 2JCOHN 54 LEU C 55 GLY H 4.04 . . 0.50 55 2JCOHN 55 GLY C 56 CYS H 4.04 . . 0.50 56 2JCOHN 56 CYS C 57 SER H 4.28 . . 0.50 57 2JCOHN 57 SER C 58 THR H 4.43 . . 0.50 58 2JCOHN 58 THR C 59 TRP H 4.45 . . 0.50 59 2JCOHN 59 TRP C 60 GLY H 4.88 . . 0.50 60 2JCOHN 60 GLY C 61 ASP H 4.10 . . 0.50 61 2JCOHN 61 ASP C 62 ASP H 4.44 . . 0.50 62 2JCOHN 62 ASP C 63 SER H 4.07 . . 0.50 63 2JCOHN 63 SER C 64 ILE H 3.94 . . 0.50 64 2JCOHN 64 ILE C 65 GLU H 4.12 . . 0.50 65 2JCOHN 65 GLU C 66 LEU H 4.24 . . 0.50 66 2JCOHN 66 LEU C 67 GLN H 4.04 . . 0.50 67 2JCOHN 68 ASP C 69 ASP H 3.94 . . 0.50 68 2JCOHN 69 ASP C 70 PHE H 4.55 . . 0.50 69 2JCOHN 70 PHE C 71 ILE H 3.63 . . 0.50 70 2JCOHN 72 PRO C 73 LEU H 3.90 . . 0.50 71 2JCOHN 73 LEU C 74 PHE H 3.75 . . 0.50 72 2JCOHN 74 PHE C 75 ASP H 3.38 . . 0.50 73 2JCOHN 75 ASP C 76 SER H 3.96 . . 0.50 74 2JCOHN 76 SER C 77 LEU H 3.26 . . 0.50 75 2JCOHN 77 LEU C 78 GLU H 3.76 . . 0.50 76 2JCOHN 78 GLU C 79 GLU H 4.11 . . 0.50 77 2JCOHN 79 GLU C 80 THR H 3.93 . . 0.50 78 2JCOHN 80 THR C 81 GLY H 4.60 . . 0.50 79 2JCOHN 81 GLY C 82 ALA H 3.88 . . 0.50 80 2JCOHN 82 ALA C 83 GLN H 4.43 . . 0.50 81 2JCOHN 83 GLN C 84 GLY H 4.85 . . 0.50 82 2JCOHN 84 GLY C 85 ARG H 3.67 . . 0.50 83 2JCOHN 85 ARG C 86 LYS H 4.25 . . 0.50 84 2JCOHN 86 LYS C 87 VAL H 4.01 . . 0.50 85 2JCOHN 87 VAL C 88 ALA H 4.07 . . 0.50 86 2JCOHN 88 ALA C 89 CYS H 3.80 . . 0.50 87 2JCOHN 89 CYS C 90 PHE H 4.22 . . 0.50 88 2JCOHN 90 PHE C 91 GLY H 3.97 . . 0.50 89 2JCOHN 91 GLY C 92 CYS H 4.14 . . 0.50 90 2JCOHN 92 CYS C 93 GLY H 4.07 . . 0.50 91 2JCOHN 93 GLY C 94 ASP H 3.50 . . 0.50 92 2JCOHN 94 ASP C 95 SER H 3.41 . . 0.50 93 2JCOHN 95 SER C 96 SER H 3.98 . . 0.50 94 2JCOHN 97 TYR C 98 GLU H 3.90 . . 0.50 95 2JCOHN 98 GLU C 99 TYR H 4.24 . . 0.50 96 2JCOHN 99 TYR C 100 PHE H 3.95 . . 0.50 97 2JCOHN 100 PHE C 101 CYS H 3.54 . . 0.50 98 2JCOHN 101 CYS C 102 GLY H 3.84 . . 0.50 99 2JCOHN 103 ALA C 104 VAL H 4.06 . . 0.50 100 2JCOHN 104 VAL C 105 ASP H 4.11 . . 0.50 101 2JCOHN 106 ALA C 107 ILE H 4.06 . . 0.50 102 2JCOHN 107 ILE C 108 GLU H 4.48 . . 0.50 103 2JCOHN 108 GLU C 109 GLU H 4.37 . . 0.50 104 2JCOHN 109 GLU C 110 LYS H 4.18 . . 0.50 105 2JCOHN 110 LYS C 111 LEU H 3.95 . . 0.50 106 2JCOHN 111 LEU C 112 LYS H 4.14 . . 0.50 107 2JCOHN 112 LYS C 113 ASN H 3.86 . . 0.50 108 2JCOHN 113 ASN C 114 LEU H 3.72 . . 0.50 109 2JCOHN 114 LEU C 115 GLY H 4.53 . . 0.50 110 2JCOHN 115 GLY C 116 ALA H 3.86 . . 0.50 111 2JCOHN 117 GLU C 118 ILE H 4.46 . . 0.50 112 2JCOHN 118 ILE C 119 VAL H 2.83 . . 0.50 113 2JCOHN 119 VAL C 120 GLN H 4.25 . . 0.50 114 2JCOHN 121 ASP C 122 GLY H 4.56 . . 0.50 115 2JCOHN 122 GLY C 123 LEU H 3.70 . . 0.50 116 2JCOHN 123 LEU C 124 ARG H 4.19 . . 0.50 117 2JCOHN 124 ARG C 125 ILE H 4.18 . . 0.50 118 2JCOHN 125 ILE C 126 ASP H 4.31 . . 0.50 119 2JCOHN 126 ASP C 127 GLY H 4.22 . . 0.50 120 2JCOHN 129 PRO C 130 ARG H 3.93 . . 0.50 121 2JCOHN 130 ARG C 131 ALA H 4.15 . . 0.50 122 2JCOHN 131 ALA C 132 ALA H 4.58 . . 0.50 123 2JCOHN 132 ALA C 133 ARG H 3.58 . . 0.50 124 2JCOHN 133 ARG C 134 ASP H 4.38 . . 0.50 125 2JCOHN 134 ASP C 135 ASP H 3.91 . . 0.50 126 2JCOHN 135 ASP C 136 ILE H 3.35 . . 0.50 127 2JCOHN 136 ILE C 137 VAL H 4.05 . . 0.50 128 2JCOHN 137 VAL C 138 GLY H 4.95 . . 0.50 129 2JCOHN 138 GLY C 139 TRP H 4.15 . . 0.50 130 2JCOHN 139 TRP C 140 ALA H 4.06 . . 0.50 131 2JCOHN 140 ALA C 141 HIS H 4.14 . . 0.50 132 2JCOHN 141 HIS C 142 ASP H 4.00 . . 0.50 133 2JCOHN 142 ASP C 143 VAL H 3.71 . . 0.50 134 2JCOHN 143 VAL C 144 ARG H 3.77 . . 0.50 135 2JCOHN 144 ARG C 145 GLY H 4.64 . . 0.50 136 2JCOHN 145 GLY C 146 ALA H 4.03 . . 0.50 137 2JCOHN 146 ALA C 147 ILE H 3.74 . . 0.50 stop_ save_ save_2JN_Ha _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D Ha-coupled ct-[15N,1H]-TROSY-iHNCA' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _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 2 LYS N 2 LYS HA 0.54 . . 0.50 2 2JN_HA 3 ALA N 3 ALA HA 0.08 . . 0.50 3 2JN_HA 4 LEU N 4 LEU HA 0.48 . . 0.50 4 2JN_HA 5 ILE N 5 ILE HA 0.58 . . 0.50 5 2JN_HA 6 VAL N 6 VAL HA 0.81 . . 0.50 6 2JN_HA 7 TYR N 7 TYR HA -0.26 . . 0.50 7 2JN_HA 9 SER N 9 SER HA 0.40 . . 0.50 8 2JN_HA 10 THR N 10 THR HA 0.78 . . 0.50 9 2JN_HA 11 THR N 11 THR HA 0.87 . . 0.50 10 2JN_HA 13 ASN N 13 ASN HA 0.34 . . 0.50 11 2JN_HA 14 THR N 14 THR HA 0.23 . . 0.50 12 2JN_HA 15 GLU N 15 GLU HA 0.23 . . 0.50 13 2JN_HA 16 TYR N 16 TYR HA 0.56 . . 0.50 14 2JN_HA 18 ALA N 18 ALA HA 0.24 . . 0.50 15 2JN_HA 19 GLU N 19 GLU HA 0.77 . . 0.50 16 2JN_HA 20 THR N 20 THR HA 0.50 . . 0.50 17 2JN_HA 21 ILE N 21 ILE HA 0.48 . . 0.50 18 2JN_HA 23 ARG N 23 ARG HA 0.36 . . 0.50 19 2JN_HA 24 GLU N 24 GLU HA 0.23 . . 0.50 20 2JN_HA 25 LEU N 25 LEU HA 0.27 . . 0.50 21 2JN_HA 26 ALA N 26 ALA HA 0.42 . . 0.50 22 2JN_HA 27 ASP N 27 ASP HA 0.70 . . 0.50 23 2JN_HA 28 ALA N 28 ALA HA 1.09 . . 0.50 24 2JN_HA 30 TYR N 30 TYR HA -0.14 . . 0.50 25 2JN_HA 31 GLU N 31 GLU HA 0.79 . . 0.50 26 2JN_HA 32 VAL N 32 VAL HA 0.87 . . 0.50 27 2JN_HA 33 ASP N 33 ASP HA 0.94 . . 0.50 28 2JN_HA 34 SER N 34 SER HA 0.51 . . 0.50 29 2JN_HA 35 ARG N 35 ARG HA 0.57 . . 0.50 30 2JN_HA 36 ASP N 36 ASP HA 0.38 . . 0.50 31 2JN_HA 37 ALA N 37 ALA HA 0.22 . . 0.50 32 2JN_HA 38 ALA N 38 ALA HA -0.01 . . 0.50 33 2JN_HA 39 SER N 39 SER HA 1.13 . . 0.50 34 2JN_HA 40 VAL N 40 VAL HA 0.72 . . 0.50 35 2JN_HA 41 GLU N 41 GLU HA 0.88 . . 0.50 36 2JN_HA 42 ALA N 42 ALA HA 0.49 . . 0.50 37 2JN_HA 45 LEU N 45 LEU HA 0.93 . . 0.50 38 2JN_HA 46 PHE N 46 PHE HA 0.27 . . 0.50 39 2JN_HA 47 GLU N 47 GLU HA 0.31 . . 0.50 40 2JN_HA 49 PHE N 49 PHE HA -0.75 . . 0.50 41 2JN_HA 51 LEU N 51 LEU HA 1.17 . . 0.50 42 2JN_HA 52 VAL N 52 VAL HA 0.39 . . 0.50 43 2JN_HA 53 LEU N 53 LEU HA 0.30 . . 0.50 44 2JN_HA 54 LEU N 54 LEU HA 0.30 . . 0.50 45 2JN_HA 56 CYS N 56 CYS HA 0.50 . . 0.50 46 2JN_HA 57 SER N 57 SER HA -0.25 . . 0.50 47 2JN_HA 58 THR N 58 THR HA 0.99 . . 0.50 48 2JN_HA 59 TRP N 59 TRP HA 0.70 . . 0.50 49 2JN_HA 61 ASP N 61 ASP HA 0.54 . . 0.50 50 2JN_HA 62 ASP N 62 ASP HA 1.11 . . 0.50 51 2JN_HA 63 SER N 63 SER HA 0.61 . . 0.50 52 2JN_HA 64 ILE N 64 ILE HA 0.71 . . 0.50 53 2JN_HA 65 GLU N 65 GLU HA 1.23 . . 0.50 54 2JN_HA 66 LEU N 66 LEU HA -0.14 . . 0.50 55 2JN_HA 67 GLN N 67 GLN HA 0.27 . . 0.50 56 2JN_HA 68 ASP N 68 ASP HA 0.44 . . 0.50 57 2JN_HA 69 ASP N 69 ASP HA -0.08 . . 0.50 58 2JN_HA 70 PHE N 70 PHE HA 0.88 . . 0.50 59 2JN_HA 71 ILE N 71 ILE HA 0.78 . . 0.50 60 2JN_HA 73 LEU N 73 LEU HA 0.57 . . 0.50 61 2JN_HA 74 PHE N 74 PHE HA 0.43 . . 0.50 62 2JN_HA 75 ASP N 75 ASP HA 0.60 . . 0.50 63 2JN_HA 76 SER N 76 SER HA 0.72 . . 0.50 64 2JN_HA 77 LEU N 77 LEU HA 0.45 . . 0.50 65 2JN_HA 78 GLU N 78 GLU HA 0.08 . . 0.50 66 2JN_HA 79 GLU N 79 GLU HA 0.73 . . 0.50 67 2JN_HA 80 THR N 80 THR HA 0.08 . . 0.50 68 2JN_HA 82 ALA N 82 ALA HA 0.24 . . 0.50 69 2JN_HA 83 GLN N 83 GLN HA 0.57 . . 0.50 70 2JN_HA 85 ARG N 85 ARG HA 0.93 . . 0.50 71 2JN_HA 86 LYS N 86 LYS HA -0.09 . . 0.50 72 2JN_HA 87 VAL N 87 VAL HA 0.68 . . 0.50 73 2JN_HA 88 ALA N 88 ALA HA 0.16 . . 0.50 74 2JN_HA 89 CYS N 89 CYS HA 0.28 . . 0.50 75 2JN_HA 90 PHE N 90 PHE HA -0.33 . . 0.50 76 2JN_HA 92 CYS N 92 CYS HA -0.19 . . 0.50 77 2JN_HA 94 ASP N 94 ASP HA 0.76 . . 0.50 78 2JN_HA 95 SER N 95 SER HA -0.52 . . 0.50 79 2JN_HA 96 SER N 96 SER HA 0.07 . . 0.50 80 2JN_HA 97 TYR N 97 TYR HA 0.03 . . 0.50 81 2JN_HA 98 GLU N 98 GLU HA 0.83 . . 0.50 82 2JN_HA 99 TYR N 99 TYR HA 0.69 . . 0.50 83 2JN_HA 100 PHE N 100 PHE HA 0.34 . . 0.50 84 2JN_HA 101 CYS N 101 CYS HA -0.10 . . 0.50 85 2JN_HA 103 ALA N 103 ALA HA -0.11 . . 0.50 86 2JN_HA 104 VAL N 104 VAL HA 0.33 . . 0.50 87 2JN_HA 105 ASP N 105 ASP HA -0.05 . . 0.50 88 2JN_HA 106 ALA N 106 ALA HA 0.24 . . 0.50 89 2JN_HA 107 ILE N 107 ILE HA 0.52 . . 0.50 90 2JN_HA 108 GLU N 108 GLU HA -0.23 . . 0.50 91 2JN_HA 109 GLU N 109 GLU HA 0.99 . . 0.50 92 2JN_HA 110 LYS N 110 LYS HA 0.49 . . 0.50 93 2JN_HA 111 LEU N 111 LEU HA 0.15 . . 0.50 94 2JN_HA 112 LYS N 112 LYS HA 0.32 . . 0.50 95 2JN_HA 113 ASN N 113 ASN HA 0.76 . . 0.50 96 2JN_HA 114 LEU N 114 LEU HA 1.98 . . 0.50 97 2JN_HA 116 ALA N 116 ALA HA 0.42 . . 0.50 98 2JN_HA 117 GLU N 117 GLU HA 1.11 . . 0.50 99 2JN_HA 118 ILE N 118 ILE HA 0.84 . . 0.50 100 2JN_HA 119 VAL N 119 VAL HA 0.71 . . 0.50 101 2JN_HA 120 GLN N 120 GLN HA 0.87 . . 0.50 102 2JN_HA 121 ASP N 121 ASP HA 0.39 . . 0.50 103 2JN_HA 123 LEU N 123 LEU HA 0.42 . . 0.50 104 2JN_HA 124 ARG N 124 ARG HA 0.78 . . 0.50 105 2JN_HA 125 ILE N 125 ILE HA 0.76 . . 0.50 106 2JN_HA 126 ASP N 126 ASP HA 0.61 . . 0.50 107 2JN_HA 128 ASP N 128 ASP HA 0.72 . . 0.50 108 2JN_HA 130 ARG N 130 ARG HA -0.03 . . 0.50 109 2JN_HA 131 ALA N 131 ALA HA 0.36 . . 0.50 110 2JN_HA 132 ALA N 132 ALA HA 0.84 . . 0.50 111 2JN_HA 133 ARG N 133 ARG HA 0.58 . . 0.50 112 2JN_HA 134 ASP N 134 ASP HA 0.30 . . 0.50 113 2JN_HA 135 ASP N 135 ASP HA 0.34 . . 0.50 114 2JN_HA 136 ILE N 136 ILE HA 0.83 . . 0.50 115 2JN_HA 137 VAL N 137 VAL HA 0.57 . . 0.50 116 2JN_HA 139 TRP N 139 TRP HA 0.59 . . 0.50 117 2JN_HA 140 ALA N 140 ALA HA 0.03 . . 0.50 118 2JN_HA 141 HIS N 141 HIS HA 0.30 . . 0.50 119 2JN_HA 142 ASP N 142 ASP HA 0.42 . . 0.50 120 2JN_HA 143 VAL N 143 VAL HA 0.89 . . 0.50 121 2JN_HA 144 ARG N 144 ARG HA 0.22 . . 0.50 122 2JN_HA 146 ALA N 146 ALA HA 0.85 . . 0.50 123 2JN_HA 147 ILE N 147 ILE HA 0.83 . . 0.50 stop_ save_