data_5096 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of a CCHH mutant of the ninth CCHC Zinc Finger of U-shaped ; _BMRB_accession_number 5096 _BMRB_flat_file_name bmr5096.str _Entry_type original _Submission_date 2001-08-02 _Accession_date 2001-08-02 _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 Kowalski K. . . 2 Mackay J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 182 "coupling constants" 24 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-06-02 original author . stop_ _Original_release_date 2003-06-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Characterization of the Conserved Interaction between GATA and FOG Family Proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22218026 _PubMed_ID 12110675 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kowalski K. . . 2 Liew C. K. . 3 Matthews J. M. . 4 Gell D. A. . 5 Crossley M. . . 6 Mackay J. P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 277 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35720 _Page_last 35729 _Year 2002 _Details . loop_ _Keyword 'protein-protein interaction' transcription 'zinc finger' stop_ save_ ################################## # Molecular system description # ################################## save_system_U-shaped _Saveframe_category molecular_system _Mol_system_name 'U-SHAPED TRANSCRIPTIONAL COFACTOR' _Abbreviation_common U-shaped _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'U-shaped transcriptional cofactor' $Ush-F9_C32H 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ush-F9_C32H _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'U-shaped ninth zinc finger domain' _Name_variant C32H _Abbreviation_common 'Ush-F9 C32H' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GSAAEVMKKYCSTCDISFNY VKTYLAHKQFYHKNKP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 ALA 5 GLU 6 VAL 7 MET 8 LYS 9 LYS 10 TYR 11 CYS 12 SER 13 THR 14 CYS 15 ASP 16 ILE 17 SER 18 PHE 19 ASN 20 TYR 21 VAL 22 LYS 23 THR 24 TYR 25 LEU 26 ALA 27 HIS 28 LYS 29 GLN 30 PHE 31 TYR 32 HIS 33 LYS 34 ASN 35 LYS 36 PRO stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1JN7 'Solution Structure Of A Cchh Mutant Of The Ninth Cchc Zinc Finger Of U-Shaped' 100.00 36 100.00 100.00 5.90e-13 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 14:00:03 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _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 $Ush-F9_C32H 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $Ush-F9_C32H 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'TCEP is tris(2-carboxyethyl)phosphine, a reducing agent.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ush-F9_C32H 1.0 mM . ZnSO4 1.5 mM . TCEP 1.5 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ush-F9_C32H 0.5 mM '[U-95% 15N]' ZnSO4 0.75 mM . TCEP 0.75 mM . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task processing stop_ _Details Bruker save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Guntert et al' save_ save_CNS _Saveframe_category software _Name CNS _Version 0.5 loop_ _Task refinement stop_ _Details 'Brunger et al' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_E-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _Sample_label . save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name E-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 1.5 . mM pH 5.0 0.1 n/a pressure 1 . atm temperature 293 0.1 K stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.75 . mM pH 5.0 0.1 n/a pressure 1 . atm temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'U-shaped transcriptional cofactor' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 SER HA H 4.530 0.000 1 2 . 2 SER HB2 H 3.928 0.000 2 3 . 3 ALA H H 8.621 0.002 1 4 . 3 ALA HA H 4.324 0.002 1 5 . 3 ALA HB H 1.429 0.003 1 6 . 4 ALA H H 8.285 0.004 1 7 . 4 ALA HA H 4.253 0.003 1 8 . 4 ALA HB H 1.402 0.001 1 9 . 5 GLU H H 8.247 0.001 1 10 . 5 GLU HA H 4.255 0.000 1 11 . 5 GLU HB2 H 2.086 0.004 2 12 . 5 GLU HB3 H 2.030 0.004 2 13 . 5 GLU HG2 H 2.329 0.007 2 14 . 6 VAL H H 8.069 0.003 1 15 . 6 VAL HA H 4.044 0.000 1 16 . 6 VAL HB H 2.128 0.001 1 17 . 6 VAL HG1 H 0.987 0.006 2 18 . 6 VAL HG2 H 0.947 0.001 2 19 . 7 MET H H 8.238 0.000 1 20 . 7 MET HA H 4.464 0.004 1 21 . 7 MET HB2 H 2.063 0.004 2 22 . 7 MET HG2 H 2.641 0.002 2 23 . 7 MET HG3 H 2.531 0.008 2 24 . 8 LYS H H 7.998 0.000 1 25 . 8 LYS HA H 4.221 0.001 1 26 . 8 LYS HB2 H 1.823 0.001 2 27 . 8 LYS HB3 H 1.766 0.001 2 28 . 8 LYS HG2 H 1.470 0.003 2 29 . 8 LYS HG3 H 1.369 0.001 2 30 . 8 LYS HD2 H 1.695 0.001 2 31 . 9 LYS H H 8.256 0.002 1 32 . 9 LYS HA H 4.060 0.006 1 33 . 9 LYS HB2 H 1.685 0.001 2 34 . 9 LYS HB3 H 1.568 0.004 2 35 . 9 LYS HG2 H 1.151 0.005 2 36 . 9 LYS HD2 H 1.287 0.000 2 37 . 9 LYS HE2 H 2.921 0.000 2 38 . 10 TYR H H 7.221 0.001 1 39 . 10 TYR HA H 5.211 0.004 1 40 . 10 TYR HB2 H 2.961 0.003 2 41 . 10 TYR HB3 H 2.587 0.003 2 42 . 10 TYR HE1 H 6.594 0.001 3 43 . 10 TYR HD1 H 6.905 0.003 3 44 . 11 CYS H H 8.790 0.002 1 45 . 11 CYS HA H 4.817 0.000 1 46 . 11 CYS HB3 H 3.038 0.002 2 47 . 11 CYS HB2 H 2.950 0.003 2 48 . 12 SER H H 9.108 0.001 1 49 . 12 SER HA H 4.092 0.000 1 50 . 12 SER HB2 H 4.129 0.000 2 51 . 12 SER HB3 H 3.999 0.001 2 52 . 13 THR H H 7.995 0.001 1 53 . 13 THR HB H 3.849 0.005 1 54 . 13 THR HA H 4.093 0.001 1 55 . 13 THR HG2 H 1.288 0.001 1 56 . 14 CYS H H 8.250 0.002 1 57 . 14 CYS HA H 4.175 0.001 1 58 . 14 CYS HB3 H 3.100 0.002 2 59 . 14 CYS HB2 H 2.506 0.004 2 60 . 15 ASP H H 8.055 0.002 1 61 . 15 ASP HA H 4.139 0.000 1 62 . 15 ASP HB3 H 3.289 0.001 2 63 . 15 ASP HB2 H 2.478 0.001 2 64 . 16 ILE H H 6.833 0.003 1 65 . 16 ILE HA H 4.233 0.001 1 66 . 16 ILE HB H 0.983 0.002 1 67 . 16 ILE HG2 H 0.134 0.004 1 68 . 16 ILE HG12 H 0.656 0.003 2 69 . 16 ILE HG13 H 0.608 0.002 2 70 . 16 ILE HD1 H 1.124 0.001 1 71 . 17 SER H H 8.338 0.001 1 72 . 17 SER HA H 5.004 0.001 1 73 . 17 SER HB3 H 3.783 0.003 2 74 . 17 SER HB2 H 3.714 0.004 2 75 . 18 PHE H H 8.511 0.002 1 76 . 18 PHE HA H 4.646 0.003 1 77 . 18 PHE HB3 H 3.348 0.003 2 78 . 18 PHE HB2 H 2.708 0.001 2 79 . 18 PHE HZ H 5.991 0.003 1 80 . 18 PHE HE1 H 7.027 0.004 3 81 . 18 PHE HD1 H 7.232 0.003 3 82 . 19 ASN H H 8.992 0.002 1 83 . 19 ASN HA H 4.492 0.005 1 84 . 19 ASN HB2 H 2.479 0.001 2 85 . 19 ASN HB3 H 2.421 0.003 2 86 . 19 ASN HD21 H 7.010 0.003 2 87 . 19 ASN HD22 H 7.373 0.004 2 88 . 20 TYR H H 7.510 0.003 1 89 . 20 TYR HA H 5.156 0.006 1 90 . 20 TYR HB3 H 3.555 0.001 2 91 . 20 TYR HB2 H 2.975 0.005 2 92 . 20 TYR HE1 H 6.927 0.003 3 93 . 20 TYR HD1 H 7.321 0.001 3 94 . 21 VAL H H 9.268 0.001 1 95 . 21 VAL HA H 3.818 0.005 1 96 . 21 VAL HB H 2.200 0.003 1 97 . 21 VAL HG2 H 1.187 0.003 2 98 . 21 VAL HG1 H 1.122 0.001 2 99 . 22 LYS H H 8.769 0.002 1 100 . 22 LYS HA H 4.046 0.003 1 101 . 22 LYS HB2 H 1.942 0.001 2 102 . 22 LYS HB3 H 1.801 0.002 2 103 . 22 LYS HG2 H 1.425 0.001 2 104 . 22 LYS HD2 H 1.672 0.001 2 105 . 22 LYS HD3 H 1.533 0.000 2 106 . 23 THR H H 7.145 0.001 1 107 . 23 THR HA H 4.140 0.001 1 108 . 23 THR HB H 4.513 0.000 1 109 . 23 THR HG2 H 1.580 0.003 1 110 . 24 TYR H H 7.480 0.001 1 111 . 24 TYR HA H 2.957 0.003 1 112 . 24 TYR HB2 H 3.159 0.004 2 113 . 24 TYR HB3 H 2.784 0.001 2 114 . 24 TYR HE1 H 6.744 0.003 3 115 . 24 TYR HD1 H 6.927 0.004 3 116 . 25 LEU H H 8.772 0.002 1 117 . 25 LEU HA H 3.601 0.001 1 118 . 25 LEU HB2 H 1.802 0.002 2 119 . 25 LEU HB3 H 1.426 0.001 2 120 . 25 LEU HG H 1.918 0.001 1 121 . 25 LEU HD1 H 0.918 0.005 2 122 . 25 LEU HD2 H 0.867 0.001 2 123 . 26 ALA H H 7.683 0.003 1 124 . 26 ALA HA H 4.154 0.004 1 125 . 26 ALA HB H 1.542 0.002 1 126 . 27 HIS H H 7.718 0.001 1 127 . 27 HIS HA H 4.438 0.003 1 128 . 27 HIS HB3 H 3.354 0.004 2 129 . 27 HIS HB2 H 3.049 0.002 2 130 . 27 HIS HD2 H 6.899 0.001 1 131 . 27 HIS HE1 H 7.695 0.001 1 132 . 28 LYS H H 8.429 0.002 1 133 . 28 LYS HA H 3.818 0.006 1 134 . 28 LYS HB3 H 1.722 0.003 2 135 . 28 LYS HB2 H 1.609 0.003 2 136 . 28 LYS HG2 H 1.334 0.001 2 137 . 28 LYS HD2 H 1.553 0.000 2 138 . 29 GLN H H 7.863 0.002 1 139 . 29 GLN HA H 3.905 0.000 1 140 . 29 GLN HB2 H 2.008 0.001 2 141 . 29 GLN HB3 H 1.868 0.003 2 142 . 29 GLN HG2 H 2.270 0.003 2 143 . 29 GLN HG3 H 2.095 0.000 2 144 . 29 GLN HE21 H 6.818 0.000 2 145 . 29 GLN HE22 H 7.305 0.005 2 146 . 30 PHE H H 7.922 0.002 1 147 . 30 PHE HA H 4.302 0.000 1 148 . 30 PHE HB2 H 2.999 0.006 2 149 . 30 PHE HB3 H 2.785 0.003 2 150 . 30 PHE HD1 H 6.695 0.004 3 151 . 30 PHE HE1 H 7.203 0.000 3 152 . 31 TYR H H 8.238 0.001 1 153 . 31 TYR HA H 4.092 0.001 1 154 . 31 TYR HB3 H 2.105 0.002 2 155 . 31 TYR HB2 H 1.895 0.001 2 156 . 31 TYR HD1 H 6.734 0.001 3 157 . 31 TYR HE1 H 6.878 0.002 3 158 . 32 HIS H H 7.413 0.001 1 159 . 32 HIS HA H 5.002 0.002 1 160 . 32 HIS HB3 H 3.344 0.002 2 161 . 32 HIS HB2 H 3.275 0.001 2 162 . 32 HIS HD2 H 6.727 0.004 1 163 . 32 HIS HE1 H 7.852 0.000 1 164 . 33 LYS H H 7.712 0.002 1 165 . 33 LYS HA H 4.131 0.007 1 166 . 33 LYS HB2 H 1.806 0.005 2 167 . 33 LYS HG2 H 1.336 0.002 2 168 . 33 LYS HD2 H 1.641 0.000 2 169 . 34 ASN H H 8.514 0.002 1 170 . 34 ASN HA H 4.593 0.007 1 171 . 34 ASN HB2 H 2.855 0.002 2 172 . 34 ASN HB3 H 2.746 0.001 2 173 . 34 ASN HD21 H 6.942 0.001 2 174 . 34 ASN HD22 H 7.595 0.002 2 175 . 35 LYS H H 7.997 0.001 1 176 . 35 LYS HA H 4.637 0.002 1 177 . 35 LYS HB2 H 1.869 0.001 2 178 . 35 LYS HB3 H 1.750 0.000 2 179 . 35 LYS HG2 H 1.475 0.002 2 180 . 35 LYS HD2 H 1.681 0.005 2 181 . 36 PRO HD2 H 3.760 0.000 2 182 . 36 PRO HD3 H 3.638 0.000 2 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H . _Mol_system_component_name 'U-shaped transcriptional cofactor' _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 3JHNHA 10 TYR H 10 TYR HA 9.5 . . 0.1 2 3JHNHA 11 CYS H 11 CYS HA 10.1 . . 0.1 3 3JHNHA 12 SER H 12 SER HA 5.4 . . 0.1 4 3JHNHA 13 THR H 13 THR HA 7.0 . . 0.1 5 3JHNHA 14 CYS H 14 CYS HA 7.4 . . 0.1 6 3JHNHA 15 ASP H 15 ASP HA 8.3 . . 0.1 7 3JHNHA 16 ILE H 16 ILE HA 9.6 . . 0.1 8 3JHNHA 17 SER H 17 SER HA 9.8 . . 0.1 9 3JHNHA 18 PHE H 18 PHE HA 10.2 . . 0.1 10 3JHNHA 19 ASN H 19 ASN HA 6.5 . . 0.1 11 3JHNHA 20 TYR H 20 TYR HA 10.3 . . 0.1 12 3JHNHA 21 VAL H 21 VAL HA 3.6 . . 0.1 13 3JHNHA 22 LYS H 22 LYS HA 2.2 . . 0.1 14 3JHNHA 23 THR H 23 THR HA 6.7 . . 0.1 15 3JHNHA 24 TYR H 24 TYR HA 5.4 . . 0.1 16 3JHNHA 25 LEU H 25 LEU HA 3.6 . . 0.1 17 3JHNHA 26 ALA H 26 ALA HA 5.0 . . 0.1 18 3JHNHA 27 HIS H 27 HIS HA 4.4 . . 0.1 19 3JHNHA 29 GLN H 29 GLN HA 4.8 . . 0.1 20 3JHNHA 30 PHE H 30 PHE HA 7.7 . . 0.1 21 3JHNHA 31 TYR H 31 TYR HA 8.0 . . 0.1 22 3JHNHA 32 HIS H 32 HIS HA 10.2 . . 0.1 23 3JHNHA 33 LYS H 33 LYS HA 5.6 . . 0.1 24 3JHNHA 34 ASN H 34 ASN HA 7.4 . . 0.1 stop_ save_