data_2219 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequential Resonance Assignments of Oxidized High-Potential Iron-Sulfur Protein from Chromatium vinosum ; _BMRB_accession_number 2219 _BMRB_flat_file_name bmr2219.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _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 Nettesheim David G. . 2 Harder Scott R. . 3 Feinberg Benjamin A. . 4 Otvos James D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 269 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Nettesheim, David G., Harder, Scott R., Feinberg, Benjamin A., Otvos, James D., "Sequential Resonance Assignments of Oxidized High-Potential Iron-Sulfur Protein from Chromatium vinosum," Biochemistry 31 (4), 1234-1244 (1992). ; _Citation_title ; Sequential Resonance Assignments of Oxidized High-Potential Iron-Sulfur Protein from Chromatium vinosum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nettesheim David G. . 2 Harder Scott R. . 3 Feinberg Benjamin A. . 4 Otvos James D. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1234 _Page_last 1244 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_HiPIP _Saveframe_category molecular_system _Mol_system_name HiPIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HiPIP $HiPIP stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HiPIP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HiPIP _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; SAPANAVAADNATAIALKYN QDATKSERVAAARPGLPPEE QHCADCQFMQADAAGATDEW KGCQLFPGKLINVNGWCASW TLKAG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 PRO 4 ALA 5 ASN 6 ALA 7 VAL 8 ALA 9 ALA 10 ASP 11 ASN 12 ALA 13 THR 14 ALA 15 ILE 16 ALA 17 LEU 18 LYS 19 TYR 20 ASN 21 GLN 22 ASP 23 ALA 24 THR 25 LYS 26 SER 27 GLU 28 ARG 29 VAL 30 ALA 31 ALA 32 ALA 33 ARG 34 PRO 35 GLY 36 LEU 37 PRO 38 PRO 39 GLU 40 GLU 41 GLN 42 HIS 43 CYS 44 ALA 45 ASP 46 CYS 47 GLN 48 PHE 49 MET 50 GLN 51 ALA 52 ASP 53 ALA 54 ALA 55 GLY 56 ALA 57 THR 58 ASP 59 GLU 60 TRP 61 LYS 62 GLY 63 CYS 64 GLN 65 LEU 66 PHE 67 PRO 68 GLY 69 LYS 70 LEU 71 ILE 72 ASN 73 VAL 74 ASN 75 GLY 76 TRP 77 CYS 78 ALA 79 SER 80 TRP 81 THR 82 LEU 83 LYS 84 ALA 85 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2220 HiPIP 100.00 85 100.00 100.00 7.12e-54 BMRB 2221 HiPIP 100.00 85 100.00 100.00 7.12e-54 BMRB 2222 HiPIP 100.00 85 100.00 100.00 7.12e-54 BMRB 2999 HiPIP 100.00 85 97.65 100.00 1.70e-52 BMRB 3000 HiPIP 100.00 85 97.65 100.00 1.70e-52 PDB 1B0Y "Mutant H42q Of Hipip From Chromatium Vinosum At 0.93a" 100.00 85 97.65 98.82 4.78e-52 PDB 1CKU "Ab Initio Solution And Refinement Of Two High Potential Iron Protein Structures At Atomic Resolution" 100.00 85 97.65 100.00 1.70e-52 PDB 1HIP "Two-Angstrom Crystal Structure Of Oxidized Chromatium High Potential Iron Protein" 100.00 85 100.00 100.00 7.12e-54 PDB 1HRQ "The Three-Dimensional Solution Structure Of The Reduced High-Potential Iron-Sulfur Protein From Chromatium Vinosum Through Nmr" 100.00 85 97.65 100.00 1.70e-52 PDB 1HRR "The Three Dimensional Structure Of The Reduced High Potential Iron-Sulfur Protein From Chromatium Vinosum Through Nmr" 100.00 85 97.65 100.00 1.70e-52 PDB 1NEH "High Potential Iron-Sulfur Protein" 100.00 85 97.65 100.00 1.70e-52 GB AAB35045 "HiPIP=high potential iron-sulfur protein [Chromatium vinosum, Peptide, 85 aa]" 100.00 85 97.65 100.00 1.70e-52 GB AAB48829 "high potential iron-sulfur protein precursor [Allochromatium vinosum DSM 180]" 100.00 122 97.65 100.00 5.84e-53 GB AAD14000 "high-potential iron protein [Allochromatium vinosum]" 100.00 86 100.00 100.00 6.65e-54 GB ADC63191 "High potential iron-sulfur protein [Allochromatium vinosum DSM 180]" 100.00 122 97.65 100.00 5.84e-53 PIR IHKREV "high potential iron-sulfur protein [validated] - Chromatium vinosum [Allochromatium vinosum]" 100.00 85 97.65 100.00 1.70e-52 REF WP_012971463 "high-potential iron-sulfur protein [Allochromatium vinosum]" 100.00 122 97.65 100.00 5.84e-53 SP P00260 "RecName: Full=High-potential iron-sulfur protein; Short=HiPIP; Flags: Precursor" 100.00 122 97.65 100.00 5.84e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HiPIP . 1049 Bacteria . Chromatium vinosum 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 $HiPIP 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 . na temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label H2O/HDO H . . ppm 4.79 . . . . . $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_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name HiPIP _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 . 4 ALA H H 8.8 . 1 2 . 4 ALA HA H 3.99 . 1 3 . 4 ALA HB H 1.37 . 1 4 . 5 ASN H H 8.21 . 1 5 . 5 ASN HA H 4.75 . 1 6 . 5 ASN HB2 H 2.66 . 2 7 . 5 ASN HB3 H 3.12 . 2 8 . 6 ALA H H 6.98 . 1 9 . 6 ALA HA H 4.58 . 1 10 . 6 ALA HB H .86 . 1 11 . 7 VAL H H 8.38 . 1 12 . 7 VAL HA H 3.52 . 1 13 . 7 VAL HB H 1.25 . 1 14 . 7 VAL HG1 H .08 . 2 15 . 7 VAL HG2 H .35 . 2 16 . 8 ALA H H 8.78 . 1 17 . 8 ALA HA H 4.56 . 1 18 . 8 ALA HB H 1.6 . 1 19 . 9 ALA H H 8.53 . 1 20 . 9 ALA HA H 4.15 . 1 21 . 9 ALA HB H 1.49 . 1 22 . 10 ASP H H 8.04 . 1 23 . 10 ASP HA H 4.63 . 1 24 . 10 ASP HB2 H 2.98 . 2 25 . 10 ASP HB3 H 2.57 . 2 26 . 11 ASN H H 7.45 . 1 27 . 11 ASN HA H 4.54 . 1 28 . 11 ASN HB2 H 2.92 . 2 29 . 11 ASN HB3 H 3.06 . 2 30 . 12 ALA H H 9.02 . 1 31 . 12 ALA HA H 4.1 . 1 32 . 12 ALA HB H 1.59 . 1 33 . 13 THR H H 8.74 . 1 34 . 13 THR HA H 4.13 . 1 35 . 13 THR HB H 4.41 . 1 36 . 13 THR HG2 H 1.07 . 1 37 . 14 ALA H H 8.14 . 1 38 . 14 ALA HA H 4.41 . 1 39 . 14 ALA HB H 1.85 . 1 40 . 15 ILE H H 8.5 . 1 41 . 15 ILE HA H 3.96 . 1 42 . 15 ILE HB H 1.92 . 1 43 . 15 ILE HG12 H 1.22 . 2 44 . 15 ILE HG13 H 1.93 . 2 45 . 15 ILE HG2 H 1.03 . 1 46 . 15 ILE HD1 H .92 . 1 47 . 16 ALA H H 7.94 . 1 48 . 16 ALA HA H 4.22 . 1 49 . 16 ALA HB H 1.64 . 1 50 . 17 LEU H H 8.23 . 1 51 . 17 LEU HA H 4.5 . 1 52 . 17 LEU HB2 H 2.22 . 2 53 . 17 LEU HB3 H 2.38 . 2 54 . 17 LEU HG H 2.23 . 1 55 . 17 LEU HD1 H .96 . 2 56 . 17 LEU HD2 H 1.26 . 2 57 . 18 LYS H H 8.02 . 1 58 . 18 LYS HA H 4.1 . 1 59 . 18 LYS HB2 H 2.3 . 2 60 . 18 LYS HB3 H 2.11 . 2 61 . 19 TYR H H 8.67 . 1 62 . 19 TYR HA H 5.04 . 1 63 . 19 TYR HB2 H 2.78 . 2 64 . 19 TYR HB3 H 3.1 . 2 65 . 19 TYR HD1 H 6.82 . 1 66 . 19 TYR HD2 H 6.82 . 1 67 . 20 ASN H H 8.29 . 1 68 . 20 ASN HA H 4.18 . 1 69 . 20 ASN HB2 H 2.26 . 2 70 . 20 ASN HB3 H 2.34 . 2 71 . 21 GLN H H 8.47 . 1 72 . 21 GLN HA H 4.01 . 1 73 . 21 GLN HB2 H 2.18 . 2 74 . 21 GLN HB3 H 2.27 . 2 75 . 22 ASP H H 8.77 . 1 76 . 22 ASP HA H 4.66 . 1 77 . 22 ASP HB2 H 2.77 . 2 78 . 22 ASP HB3 H 2.41 . 2 79 . 23 ALA H H 9.66 . 1 80 . 23 ALA HA H 3.89 . 1 81 . 23 ALA HB H 1.67 . 1 82 . 24 THR H H 8.44 . 1 83 . 24 THR HA H 4.13 . 1 84 . 24 THR HB H 4.26 . 1 85 . 24 THR HG2 H 1.3 . 1 86 . 25 LYS H H 7.52 . 1 87 . 25 LYS HA H 4.49 . 1 88 . 25 LYS HB2 H 2.12 . 2 89 . 25 LYS HB3 H 1.67 . 2 90 . 26 SER H H 7.17 . 1 91 . 26 SER HA H 4.58 . 1 92 . 26 SER HB2 H 3.78 . 2 93 . 26 SER HB3 H 4.15 . 2 94 . 27 GLU H H 8.9 . 1 95 . 27 GLU HA H 4.44 . 1 96 . 27 GLU HB2 H 1.89 . 2 97 . 27 GLU HB3 H 2.56 . 2 98 . 28 ARG H H 6.56 . 1 99 . 28 ARG HA H 3.11 . 1 100 . 28 ARG HB2 H .66 . 2 101 . 28 ARG HB3 H .63 . 2 102 . 29 VAL H H 8.29 . 1 103 . 29 VAL HA H 3.41 . 1 104 . 29 VAL HB H 1.86 . 1 105 . 29 VAL HG1 H .96 . 1 106 . 29 VAL HG2 H .96 . 1 107 . 30 ALA H H 7.56 . 1 108 . 30 ALA HA H 4.07 . 1 109 . 30 ALA HB H 1.43 . 1 110 . 31 ALA H H 8.15 . 1 111 . 31 ALA HA H 4.14 . 1 112 . 31 ALA HB H 1.81 . 1 113 . 32 ALA H H 7.45 . 1 114 . 32 ALA HA H 3.81 . 1 115 . 32 ALA HB H 1.37 . 1 116 . 33 ARG H H 10.54 . 1 117 . 33 ARG HA H 4.53 . 1 118 . 33 ARG HB2 H 1.32 . 1 119 . 33 ARG HB3 H 1.32 . 1 120 . 39 GLU H H 9 . 1 121 . 39 GLU HA H 3.64 . 1 122 . 39 GLU HB2 H 1.88 . 2 123 . 39 GLU HB3 H 1.99 . 2 124 . 40 GLU H H 7.78 . 1 125 . 40 GLU HA H 4.36 . 1 126 . 40 GLU HB2 H 1.68 . 1 127 . 40 GLU HB3 H 1.68 . 1 128 . 41 GLN H H 7.44 . 1 129 . 41 GLN HA H 3.71 . 1 130 . 41 GLN HB2 H 1.82 . 2 131 . 41 GLN HB3 H 1.92 . 2 132 . 41 GLN HG2 H .17 . 2 133 . 41 GLN HG3 H .26 . 2 134 . 42 HIS H H 9 . 1 135 . 42 HIS HA H 6.16 . 1 136 . 42 HIS HB2 H 3.9 . 2 137 . 42 HIS HB3 H 4.03 . 2 138 . 42 HIS HD2 H 7.56 . 1 139 . 42 HIS HE1 H 8.54 . 1 140 . 43 CYS H H 10.13 . 1 141 . 43 CYS HB2 H 34.08 . 2 142 . 43 CYS HB3 H 33.22 . 2 143 . 44 ALA H H 7.93 . 1 144 . 44 ALA HA H 3.85 . 1 145 . 44 ALA HB H 1.23 . 1 146 . 45 ASP H H 7.44 . 1 147 . 45 ASP HA H 4.92 . 1 148 . 45 ASP HB2 H 3.59 . 2 149 . 45 ASP HB3 H 2.76 . 2 150 . 46 CYS H H 7.34 . 1 151 . 46 CYS HA H 2.69 . 1 152 . 46 CYS HB2 H 25.57 . 2 153 . 46 CYS HB3 H 25.11 . 2 154 . 47 GLN H H 8.39 . 1 155 . 47 GLN HA H 4.58 . 1 156 . 47 GLN HB2 H 1.78 . 2 157 . 47 GLN HB3 H 1.93 . 2 158 . 51 ALA H H 9.15 . 1 159 . 51 ALA HA H 4.11 . 1 160 . 51 ALA HB H 1.47 . 1 161 . 52 ASP H H 8.4 . 1 162 . 52 ASP HA H 4.74 . 1 163 . 52 ASP HB2 H 2.78 . 2 164 . 52 ASP HB3 H 2.65 . 2 165 . 53 ALA H H 6.62 . 1 166 . 53 ALA HA H 4.19 . 1 167 . 53 ALA HB H 1.3 . 1 168 . 54 ALA H H 8.56 . 1 169 . 54 ALA HA H 4.15 . 1 170 . 54 ALA HB H 1.35 . 1 171 . 55 GLY H H 8.79 . 1 172 . 55 GLY HA2 H 3.63 . 2 173 . 55 GLY HA3 H 4.06 . 2 174 . 56 ALA H H 7.63 . 1 175 . 56 ALA HA H 4.47 . 1 176 . 56 ALA HB H 1.64 . 1 177 . 57 THR H H 9.67 . 1 178 . 57 THR HA H 4.95 . 1 179 . 57 THR HB H 4.85 . 1 180 . 57 THR HG2 H 1.42 . 1 181 . 60 TRP H H 7.28 . 1 182 . 60 TRP HA H 5.62 . 1 183 . 60 TRP HB2 H 3.02 . 2 184 . 60 TRP HB3 H 3.18 . 2 185 . 60 TRP HD1 H 7.27 . 1 186 . 60 TRP HE1 H 10.18 . 1 187 . 60 TRP HE3 H 7.19 . 1 188 . 60 TRP HZ2 H 7.57 . 1 189 . 60 TRP HZ3 H 7.48 . 1 190 . 60 TRP HH2 H 7.34 . 1 191 . 61 LYS H H 8.94 . 1 192 . 61 LYS HA H 4.9 . 1 193 . 61 LYS HB2 H 2.01 . 2 194 . 61 LYS HB3 H 1.58 . 2 195 . 62 GLY H H 7.89 . 1 196 . 62 GLY HA2 H 4.62 . 2 197 . 62 GLY HA3 H 3.92 . 2 198 . 63 CYS H H 9.96 . 1 199 . 63 CYS HB2 H 107.25 . 2 200 . 63 CYS HB3 H 36.1 . 2 201 . 67 PRO HA H 4.35 . 1 202 . 67 PRO HB2 H 1.96 . 2 203 . 67 PRO HB3 H 2.28 . 2 204 . 68 GLY H H 8.9 . 1 205 . 68 GLY HA2 H 4.15 . 2 206 . 68 GLY HA3 H 3.78 . 2 207 . 69 LYS H H 7.56 . 1 208 . 69 LYS HA H 5.12 . 1 209 . 69 LYS HB2 H 1.89 . 2 210 . 69 LYS HB3 H 1.5 . 2 211 . 70 LEU H H 7.84 . 1 212 . 70 LEU HA H 5.01 . 1 213 . 70 LEU HB2 H 1.16 . 2 214 . 70 LEU HB3 H 1.59 . 2 215 . 70 LEU HG H 1.29 . 1 216 . 70 LEU HD1 H .54 . 2 217 . 70 LEU HD2 H .72 . 2 218 . 71 ILE H H 9.58 . 1 219 . 71 ILE HA H 4.87 . 1 220 . 72 ASN H H 7.56 . 1 221 . 72 ASN HA H 4.55 . 1 222 . 72 ASN HB2 H 1.79 . 2 223 . 72 ASN HB3 H 2.81 . 2 224 . 73 VAL H H 8.6 . 1 225 . 73 VAL HA H 3.82 . 1 226 . 73 VAL HB H 2.16 . 1 227 . 73 VAL HG1 H 1 . 2 228 . 73 VAL HG2 H 1.03 . 2 229 . 74 ASN H H 9.18 . 1 230 . 74 ASN HA H 5.25 . 1 231 . 74 ASN HB2 H 2.8 . 2 232 . 74 ASN HB3 H 3.22 . 2 233 . 75 GLY H H 8.7 . 1 234 . 75 GLY HA2 H 4 . 2 235 . 75 GLY HA3 H 3.7 . 2 236 . 76 TRP H H 8.76 . 1 237 . 76 TRP HA H 5.56 . 1 238 . 76 TRP HB2 H 3.28 . 2 239 . 76 TRP HB3 H 4.02 . 2 240 . 76 TRP HD1 H 7.11 . 1 241 . 76 TRP HE1 H 10.25 . 1 242 . 76 TRP HE3 H 7.24 . 1 243 . 76 TRP HZ2 H 7.76 . 1 244 . 76 TRP HZ3 H 6.99 . 1 245 . 76 TRP HH2 H 6.86 . 1 246 . 77 CYS HA H 27 . 1 247 . 77 CYS HB2 H 38.39 . 2 248 . 77 CYS HB3 H 29.43 . 2 249 . 78 ALA H H 7.77 . 1 250 . 78 ALA HA H 4.15 . 1 251 . 78 ALA HB H 1.35 . 1 252 . 80 TRP HE1 H 10.26 . 1 253 . 82 LEU H H 8.22 . 1 254 . 82 LEU HA H 3.49 . 1 255 . 82 LEU HB2 H 1.38 . 2 256 . 82 LEU HB3 H 1.64 . 2 257 . 82 LEU HG H 1.61 . 1 258 . 82 LEU HD1 H .99 . 2 259 . 82 LEU HD2 H 1.24 . 2 260 . 83 LYS H H 7.88 . 1 261 . 83 LYS HA H 4 . 1 262 . 83 LYS HB2 H 1.52 . 2 263 . 83 LYS HB3 H 1.13 . 2 264 . 84 ALA H H 8.45 . 1 265 . 84 ALA HA H 4.36 . 1 266 . 84 ALA HB H 1.36 . 1 267 . 85 GLY H H 7.98 . 1 268 . 85 GLY HA2 H 3.79 . 1 269 . 85 GLY HA3 H 3.79 . 1 stop_ save_