data_4065 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-Specific Resonance Assignments for a Designed Four-Alpha-Helix-Bundle Protein ; _BMRB_accession_number 4065 _BMRB_flat_file_name bmr4065.str _Entry_type original _Submission_date 1997-10-03 _Accession_date 1997-01-05 _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 Skalicky Jack J. . 2 Bieber Ramona J. . 3 Gibney Brian R. . 4 Rabanal Francesc . . 5 Dutton Leslie P. . 6 Wand Joshua A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 327 "13C chemical shifts" 263 "15N chemical shifts" 60 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-12 update BMRB 'Modify the saveframe name.' 1998-10-14 original author 'Original release.' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Skalicky, J. J., Bieber, R. J., Gibney, B. R., Rabanal, F. , Dutton, L. P., and Wand, J. A., "Sequence-Specific Resonance Assignments for a Designed Four-Alpha-Helix-Bundle Protein," J. Biomol. NMR 11, 227-228 (1998). ; _Citation_title ; Sequence-Specific Resonance Assignments for a Designed Four-Alpha-Helix-Bundle Protein ; _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 Skalicky Jack J. . 2 Bieber Ramona J. . 3 Gibney Brian R. . 4 Rabanal Francesc . . 5 Dutton Leslie P. . 6 Wand Joshua A. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 227 _Page_last 228 _Year 1998 _Details . loop_ _Keyword 'Designed Proteins' 'coiled coils' 'four helix bundles' stop_ save_ ################################## # Molecular system description # ################################## save_system_H10H24-L6I_L13F _Saveframe_category molecular_system _Mol_system_name 'designed four-alpha-helix bundle protein' _Abbreviation_common H10H24-L6I,L13F _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label chain_A $H10H24-L6I_L13F chain_B $H10H24-L6I_L13F chain_C $H10H24-L6I_L13F chain_D $H10H24-L6I_L13F stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state tetramer _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component A1 chain_A B1 chain_B A1 chain_C B1 chain_D stop_ _Database_query_date . _Details ; Chain A and chain C are equivalent Chain B and chain D are equivalent ; save_ ######################## # Monomeric polymers # ######################## save_H10H24-L6I_L13F _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H10H24-L6I,L13F _Abbreviation_common H10H24-L6I,L13F _Molecular_mass . _Mol_thiol_state . _Details ; This molecule contains two identical peptide chains (A and B) that are covalently crosslinked at Cys1. They are magnetically inequivalent when folded to a compact structure. ; ############################## # Polymer residue sequence # ############################## _Residue_count 31 _Mol_residue_sequence ; CGGGEIWKLHEEFLKKFEEL LKLHEERLKKL ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 GLY 3 GLY 4 GLY 5 GLU 6 ILE 7 TRP 8 LYS 9 LEU 10 HIS 11 GLU 12 GLU 13 PHE 14 LEU 15 LYS 16 LYS 17 PHE 18 GLU 19 GLU 20 LEU 21 LEU 22 LYS 23 LEU 24 HIS 25 GLU 26 GLU 27 ARG 28 LEU 29 LYS 30 LYS 31 LEU stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2005-12-09 save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide chain_A 1 CYS SG chain_B 1 CYS SG single disulfide chain_C 1 CYS SG chain_D 1 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $H10H24-L6I_L13F . . . . . . 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 _Details $H10H24-L6I_L13F 'recombinant technology' 'E. coli' Escherichia coli . . 'chemical synthesis' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H10H24-L6I_L13F 1.5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer . _Model . _Field_strength . _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.60 0.02 n/a temperature 305.5 0.2 K pressure 760 10 'mm Hg' 'ionic strength' 0.150 0.01 mu 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 DSS H 1 'methyl protons' ppm 0.0 external direct cylindrical 'external to the sample' parallel 1.0 DSS C 13 . ppm 0.0 external indirect . . . 0.251449530 DSS N 15 . ppm 0.0 external indirect . . . 0.101329118 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_H10H24-L6I_L13F-chain_A _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name chain_A _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 . 1 CYS HA H 4.94 0.02 1 2 . 1 CYS HB2 H 3.32 0.02 2 3 . 1 CYS HB3 H 3.15 0.02 2 4 . 1 CYS C C 174.72 0.2 1 5 . 1 CYS CA C 55.14 0.2 1 6 . 1 CYS CB C 41.01 0.2 1 7 . 2 GLY H H 8.62 0.02 1 8 . 2 GLY HA2 H 4.27 0.02 2 9 . 2 GLY HA3 H 4.06 0.02 2 10 . 2 GLY CA C 45.18 0.2 1 11 . 2 GLY N N 110.96 0.2 1 12 . 3 GLY H H 8.52 0.02 1 13 . 3 GLY HA2 H 4.16 0.02 2 14 . 3 GLY HA3 H 4.95 0.02 2 15 . 3 GLY CA C 45.70 0.1 1 16 . 3 GLY N N 108.81 0.1 1 17 . 4 GLY H H 8.73 0.02 1 18 . 4 GLY HA2 H 4.09 0.02 1 19 . 4 GLY HA3 H 4.09 0.02 1 20 . 4 GLY C C 174.84 . 1 21 . 4 GLY CA C 46.56 . 1 22 . 4 GLY N N 109.77 . 1 23 . 5 GLU H H 8.61 0.02 1 24 . 5 GLU HA H 4.23 0.02 1 25 . 5 GLU HB2 H 2.16 0.02 1 26 . 5 GLU HB3 H 2.16 0.02 1 27 . 5 GLU HG2 H 2.41 0.02 1 28 . 5 GLU HG3 H 2.41 0.02 1 29 . 5 GLU C C 178.32 0.2 1 30 . 5 GLU CA C 58.61 0.2 1 31 . 5 GLU CB C 29.15 0.2 1 32 . 5 GLU CG C 36.37 0.2 1 33 . 5 GLU N N 121.57 0.2 1 34 . 6 ILE H H 7.89 0.02 1 35 . 6 ILE HA H 3.86 0.02 1 36 . 6 ILE HB H 2.03 0.02 1 37 . 6 ILE HG12 H 1.54 0.02 2 38 . 6 ILE HG13 H 1.37 0.02 2 39 . 6 ILE HG2 H 0.83 0.02 1 40 . 6 ILE HD1 H 0.83 0.02 1 41 . 6 ILE C C 177.53 0.2 1 42 . 6 ILE CA C 62.65 0.2 1 43 . 6 ILE CB C 36.41 0.2 1 44 . 6 ILE CG1 C 28.35 0.2 1 45 . 6 ILE CG2 C 18.03 0.2 1 46 . 6 ILE CD1 C 11.47 0.2 1 47 . 6 ILE N N 119.58 0.2 1 48 . 7 TRP H H 8.17 0.02 1 49 . 7 TRP HA H 4.50 0.02 1 50 . 7 TRP HB2 H 3.63 0.02 2 51 . 7 TRP HB3 H 3.27 0.02 2 52 . 7 TRP C C 176.91 0.2 1 53 . 7 TRP CA C 59.78 0.2 1 54 . 7 TRP CB C 28.67 0.2 1 55 . 7 TRP N N 120.31 0.2 1 56 . 8 LYS H H 7.55 0.02 1 57 . 8 LYS HA H 3.98 0.02 . 58 . 8 LYS HB2 H 1.92 0.02 1 59 . 8 LYS HB3 H 1.92 0.02 1 60 . 8 LYS HG2 H 1.61 0.02 4 61 . 8 LYS HG3 H 1.53 0.02 4 62 . 8 LYS HD2 H 1.77 0.02 4 63 . 8 LYS HD3 H 1.77 0.02 4 64 . 8 LYS C C 179.42 0.2 1 65 . 8 LYS CA C 58.98 0.2 1 66 . 8 LYS CB C 31.87 0.2 1 67 . 8 LYS CG C 24.87 0.2 1 68 . 8 LYS CD C 28.86 0.2 1 69 . 8 LYS N N 115.43 0.2 1 70 . 9 LEU H H 7.46 0.02 1 71 . 9 LEU HA H 4.36 0.02 1 72 . 9 LEU HB2 H 2.29 0.02 2 73 . 9 LEU HB3 H 1.68 0.02 2 74 . 9 LEU HG H 2.02 0.02 1 75 . 9 LEU HD1 H 1.13 0.02 1 76 . 9 LEU HD2 H 0.96 0.02 1 77 . 9 LEU C C 179.20 0.2 1 78 . 9 LEU CA C 57.34 0.2 1 79 . 9 LEU CB C 41.85 0.2 1 80 . 9 LEU CG C 26.87 0.2 1 81 . 9 LEU CD1 C 27.18 0.2 1 82 . 9 LEU CD2 C 22.74 0.2 1 83 . 9 LEU N N 118.63 0.2 1 84 . 10 HIS H H 7.54 0.02 1 85 . 10 HIS HA H 4.71 0.02 1 86 . 10 HIS HB2 H 2.83 0.02 2 87 . 10 HIS HB3 H 2.67 0.02 2 88 . 10 HIS C C 178.11 0.2 1 89 . 10 HIS CA C 57.85 0.2 1 90 . 10 HIS CB C 29.79 0.2 1 91 . 10 HIS N N 120.97 0.2 1 92 . 11 GLU H H 8.59 0.02 1 93 . 11 GLU HA H 3.78 0.02 1 94 . 11 GLU HB2 H 1.97 0.02 2 95 . 11 GLU HB3 H 1.88 0.02 2 96 . 11 GLU HG2 H 2.23 0.02 2 97 . 11 GLU HG3 H 2.14 0.02 2 98 . 11 GLU C C 178.96 0.2 1 99 . 11 GLU CA C 59.70 0.2 1 100 . 11 GLU CB C 29.56 0.2 1 101 . 11 GLU CG C 36.78 0.2 1 102 . 11 GLU N N 119.09 0.2 1 103 . 12 GLU H H 7.95 0.02 1 104 . 12 GLU HA H 4.20 0.02 1 105 . 12 GLU HB2 H 1.93 0.02 1 106 . 12 GLU HB3 H 1.93 0.02 1 107 . 12 GLU HG2 H 2.35 0.02 4 108 . 12 GLU HG3 H 2.25 0.02 4 109 . 12 GLU C C 178.95 0.2 1 110 . 12 GLU CA C 59.35 0.2 1 111 . 12 GLU CB C 28.98 0.2 1 112 . 12 GLU CG C 35.87 0.2 1 113 . 12 GLU N N 120.34 0.2 1 114 . 13 PHE H H 8.26 0.02 1 115 . 13 PHE HA H 4.32 0.02 1 116 . 13 PHE HB2 H 3.25 0.02 2 117 . 13 PHE HB3 H 2.88 0.02 2 118 . 13 PHE C C 176.08 0.2 1 119 . 13 PHE CA C 61.29 0.2 1 120 . 13 PHE CB C 38.32 0.2 1 121 . 13 PHE N N 121.09 0.2 1 122 . 14 LEU H H 8.40 0.02 1 123 . 14 LEU HA H 3.80 0.02 1 124 . 14 LEU HB2 H 2.04 0.02 2 125 . 14 LEU HB3 H 1.64 0.02 2 126 . 14 LEU HG H 1.87 0.02 1 127 . 14 LEU HD1 H 1.08 0.02 1 128 . 14 LEU HD2 H 1.01 0.02 1 129 . 14 LEU C C 179.41 0.2 1 130 . 14 LEU CA C 57.83 0.2 1 131 . 14 LEU CB C 41.09 0.2 1 132 . 14 LEU CG C 27.00 0.2 1 133 . 14 LEU CD1 C 25.83 0.2 1 134 . 14 LEU CD2 C 22.16 0.2 1 135 . 14 LEU N N 119.86 0.2 1 136 . 15 LYS H H 8.50 0.02 1 137 . 15 LYS HA H 4.14 0.02 1 138 . 15 LYS HB2 H 2.02 0.02 1 139 . 15 LYS HB3 H 2.02 0.02 1 140 . 15 LYS HG2 H 1.51 0.02 4 141 . 15 LYS HG3 H 1.41 0.02 4 142 . 15 LYS C C 180.01 0.2 1 143 . 15 LYS CA C 59.35 0.2 1 144 . 15 LYS CB C 32.21 0.2 1 145 . 15 LYS CG C 24.89 0.2 1 146 . 15 LYS CD C 28.95 0.2 1 147 . 15 LYS N N 120.55 0.2 1 148 . 16 LYS H H 8.23 0.02 1 149 . 16 LYS HA H 4.20 0.02 1 150 . 16 LYS HB2 H 2.16 0.02 2 151 . 16 LYS HB3 H 1.99 0.02 2 152 . 16 LYS C C 179.34 0.2 1 153 . 16 LYS CA C 58.54 0.2 1 154 . 16 LYS CB C 32.07 0.2 1 155 . 16 LYS CG C 25.90 0.2 1 156 . 16 LYS CD C 28.56 0.2 1 157 . 16 LYS N N 120.26 0.2 1 158 . 17 PHE H H 8.46 0.02 1 159 . 17 PHE HA H 4.08 0.02 1 160 . 17 PHE HB2 H 3.06 0.02 2 161 . 17 PHE HB3 H 2.72 0.02 2 162 . 17 PHE C C 178.06 0.2 1 163 . 17 PHE CA C 59.38 0.2 1 164 . 17 PHE CB C 38.31 0.2 1 165 . 17 PHE N N 122.83 0.2 1 166 . 18 GLU H H 8.38 0.02 1 167 . 18 GLU HA H 3.86 0.02 1 168 . 18 GLU HB2 H 2.29 0.02 2 169 . 18 GLU HB3 H 2.22 0.02 2 170 . 18 GLU HG2 H 2.48 0.02 1 171 . 18 GLU HG3 H 2.48 0.02 1 172 . 18 GLU C C 178.97 0.2 1 173 . 18 GLU CA C 59.68 0.2 1 174 . 18 GLU CB C 35.85 0.2 1 175 . 18 GLU N N 119.02 0.2 1 176 . 19 GLU H H 7.92 0.02 1 177 . 19 GLU HA H 4.08 0.02 1 178 . 19 GLU HB2 H 2.24 0.02 2 179 . 19 GLU HB3 H 1.58 0.02 2 180 . 19 GLU HG2 H 2.53 0.02 2 181 . 19 GLU HG3 H 2.29 0.02 2 182 . 19 GLU C C 179.26 0.2 1 183 . 19 GLU CA C 59.45 0.2 1 184 . 19 GLU CB C 29.43 0.2 1 185 . 19 GLU CG C 36.33 0.2 1 186 . 19 GLU N N 119.31 0.2 1 187 . 20 LEU H H 7.94 0.02 1 188 . 20 LEU HA H 4.17 0.02 1 189 . 20 LEU HB2 H 2.19 0.02 2 190 . 20 LEU HB3 H 1.42 0.02 2 191 . 20 LEU HG H 1.98 0.02 1 192 . 20 LEU HD1 H 0.94 0.02 1 193 . 20 LEU HD2 H 0.94 0.02 1 194 . 20 LEU C C 189.78 0.2 1 195 . 20 LEU CA C 57.88 0.2 1 196 . 20 LEU CB C 41.64 0.2 1 197 . 20 LEU CG C 26.56 0.2 1 198 . 20 LEU CD1 C 26.04 0.2 1 199 . 20 LEU CD2 C 23.27 0.2 1 200 . 20 LEU N N 119.86 0.2 1 201 . 21 LEU H H 8.08 0.02 1 202 . 21 LEU HA H 3.93 0.02 1 203 . 21 LEU HB2 H 1.71 0.02 2 204 . 21 LEU HB3 H 1.50 0.02 2 205 . 21 LEU HG H 1.43 0.02 1 206 . 21 LEU HD1 H 0.37 0.02 1 207 . 21 LEU HD2 H 0.42 0.02 1 208 . 21 LEU C C 179.05 0.2 1 209 . 21 LEU CA C 58.11 0.2 1 210 . 21 LEU CB C 41.27 0.2 1 211 . 21 LEU CG C 27.07 0.2 1 212 . 21 LEU CD1 C 24.20 0.2 1 213 . 21 LEU CD2 C 23.66 0.2 1 214 . 21 LEU N N 120.96 0.2 1 215 . 22 LYS H H 8.21 0.02 1 216 . 22 LYS HA H 4.22 0.02 1 217 . 22 LYS HB2 H 2.04 0.02 1 218 . 22 LYS HB3 H 2.04 0.02 1 219 . 22 LYS HG2 H 1.77 0.02 4 220 . 22 LYS HG3 H 1.64 0.02 4 221 . 22 LYS C C 180.12 0.2 1 222 . 22 LYS CA C 59.28 0.2 1 223 . 22 LYS CB C 31.46 0.2 1 224 . 22 LYS CG C 24.64 0.2 1 225 . 22 LYS CD C 28.22 0.2 1 226 . 22 LYS N N 120.49 0.2 1 227 . 23 LEU H H 8.07 0.02 1 228 . 23 LEU HA H 4.25 0.02 1 229 . 23 LEU HB2 H 2.02 0.02 2 230 . 23 LEU HB3 H 1.73 0.02 2 231 . 23 LEU HG H 1.87 0.02 1 232 . 23 LEU HD1 H 1.02 0.02 1 233 . 23 LEU HD2 H 0.99 0.02 1 234 . 23 LEU C C 179.73 0.2 1 235 . 23 LEU CA C 57.68 0.2 1 236 . 23 LEU CB C 41.63 0.2 1 237 . 23 LEU CG C 26.93 0.2 1 238 . 23 LEU CD1 C 25.03 0.2 1 239 . 23 LEU CD2 C 23.46 0.2 1 240 . 23 LEU N N 120.96 0.2 1 241 . 24 HIS H H 8.38 0.02 1 242 . 24 HIS HA H 4.62 0.02 1 243 . 24 HIS HB2 H 3.33 0.02 2 244 . 24 HIS HB3 H 3.17 0.02 2 245 . 24 HIS C C 177.31 0.2 1 246 . 24 HIS CA C 59.62 0.2 1 247 . 24 HIS CB C 31.64 0.2 1 248 . 24 HIS N N 121.53 0.2 1 249 . 25 GLU H H 8.68 0.02 1 250 . 25 GLU HA H 3.88 0.02 1 251 . 25 GLU C C 177.58 0.2 1 252 . 25 GLU CA C 60.20 0.2 1 253 . 25 GLU CB C 29.56 0.2 1 254 . 25 GLU CG C 35.96 0.2 1 255 . 25 GLU N N 119.51 0.2 1 256 . 26 GLU H H 7.48 0.02 1 257 . 26 GLU HA H 3.97 0.02 1 258 . 26 GLU HB2 H 2.20 0.02 1 259 . 26 GLU HB3 H 2.20 0.02 1 260 . 26 GLU CA C 58.95 0.2 1 261 . 26 GLU CB C 29.04 0.2 1 262 . 26 GLU CG C 35.96 0.2 1 263 . 26 GLU N N 116.09 0.2 1 264 . 27 ARG H H 7.79 0.02 1 265 . 27 ARG HA H 4.00 0.02 1 266 . 27 ARG HB2 H 1.99 0.02 1 267 . 27 ARG HB3 H 1.99 0.02 1 268 . 27 ARG HG2 H 1.69 0.02 1 269 . 27 ARG HG3 H 1.69 0.02 1 270 . 27 ARG HD2 H 3.32 0.02 1 271 . 27 ARG HD3 H 3.32 0.02 1 272 . 27 ARG C C 180.14 0.2 1 273 . 27 ARG CA C 59.29 0.2 1 274 . 27 ARG CB C 29.43 0.2 1 275 . 27 ARG CG C 27.86 0.2 1 276 . 27 ARG CD C 43.19 0.2 1 277 . 27 ARG N N 118.42 0.2 1 278 . 28 LEU H H 8.48 0.02 1 279 . 28 LEU HA H 3.87 0.02 1 280 . 28 LEU HB2 H 2.02 0.02 2 281 . 28 LEU HB3 H 1.17 0.02 2 282 . 28 LEU HG H 1.37 0.02 1 283 . 28 LEU HD1 H 0.59 0.02 1 284 . 28 LEU HD2 H 0.25 0.02 1 285 . 28 LEU C C 179.03 0.2 1 286 . 28 LEU CA C 57.27 0.2 1 287 . 28 LEU CB C 40.66 0.2 1 288 . 28 LEU CG C 26.090 0.2 1 289 . 28 LEU CD1 C 24.92 0.2 1 290 . 28 LEU CD2 C 22.14 0.2 1 291 . 28 LEU N N 119.47 0.2 1 292 . 29 LYS H H 7.84 0.02 1 293 . 29 LYS HA H 4.00 0.02 1 294 . 29 LYS HB2 H 1.75 0.02 1 295 . 29 LYS HB3 H 1.75 0.02 1 296 . 29 LYS HG2 H 1.39 0.02 4 297 . 29 LYS HG3 H 1.39 0.02 4 298 . 29 LYS C C 177.43 0.2 1 299 . 29 LYS CA C 58.50 0.2 1 300 . 29 LYS CB C 32.81 0.2 1 301 . 29 LYS CG C 26.15 0.2 1 302 . 29 LYS CD C 29.36 0.2 1 303 . 29 LYS N N 117.64 0.2 1 304 . 30 LYS H H 7.26 0.02 1 305 . 30 LYS HA H 4.43 0.02 1 306 . 30 LYS HB2 H 2.12 0.02 2 307 . 30 LYS HB3 H 1.82 0.02 2 308 . 30 LYS HG2 H 1.65 0.02 2 309 . 30 LYS HG3 H 1.55 0.02 2 310 . 30 LYS C C 175.99 0.2 1 311 . 30 LYS CA C 55.79 0.2 1 312 . 30 LYS CB C 33.07 0.2 1 313 . 30 LYS CG C 25.05 0.2 1 314 . 30 LYS CD C 28.94 0.2 1 315 . 30 LYS N N 116.78 0.2 1 316 . 31 LEU H H 7.15 0.02 1 317 . 31 LEU HA H 4.14 0.02 1 318 . 31 LEU HB2 H 1.83 0.02 2 319 . 31 LEU HB3 H 1.61 0.02 2 320 . 31 LEU HG H 1.92 0.02 1 321 . 31 LEU HD1 H 0.93 0.02 1 322 . 31 LEU HD2 H 0.92 0.02 1 323 . 31 LEU C C 182.46 0.2 1 324 . 31 LEU CA C 57.24 0.2 1 325 . 31 LEU CB C 43.00 0.2 1 326 . 31 LEU CG C 26.77 0.2 1 327 . 31 LEU CD1 C 26.59 0.2 1 328 . 31 LEU CD2 C 23.61 0.2 1 329 . 31 LEU N N 125.84 0.2 1 stop_ save_ save_chemical_shift_assignment_H10H24-L6I_L13F-chain_B _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name chain_B _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 . 1 CYS HA H 4.76 0.02 1 2 . 1 CYS C C 174.72 0.2 1 3 . 1 CYS CA C 55.54 0.2 1 4 . 1 CYS CB C 41.36 0.2 1 5 . 2 GLY H H 8.65 0.02 1 6 . 2 GLY HA2 H 4.20 0.02 1 7 . 2 GLY HA3 H 4.20 0.02 1 8 . 2 GLY CA C 45.76 0.2 1 9 . 2 GLY N N 111.48 0.2 1 10 . 3 GLY H H 8.63 0.02 1 11 . 3 GLY HA2 H 4.05 0.02 1 12 . 3 GLY HA3 H 4.05 0.02 1 13 . 3 GLY CA C 46.83 0.2 1 14 . 3 GLY N N 110.43 0.2 1 15 . 4 GLY H H 8.64 0.02 1 16 . 4 GLY HA2 H 4.04 0.02 1 17 . 4 GLY HA3 H 4.04 0.02 1 18 . 4 GLY CA C 46.83 0.2 1 19 . 4 GLY N N 109.04 0.2 1 20 . 5 GLU H H 8.37 0.02 1 21 . 5 GLU HA H 4.17 0.02 1 22 . 5 GLU HB2 H 2.19 0.02 1 23 . 5 GLU HB3 H 2.19 0.02 1 24 . 5 GLU HG2 H 2.46 0.02 1 25 . 5 GLU HG3 H 2.46 0.02 1 26 . 5 GLU C C 179.00 0.2 1 27 . 5 GLU CA C 59.12 0.2 1 28 . 5 GLU CB C 29.37 0.2 1 29 . 5 GLU CG C 36.52 0.2 1 30 . 5 GLU N N 121.13 0.2 1 31 . 6 ILE H H 7.87 0.02 1 32 . 6 ILE HA H 3.45 0.02 1 33 . 6 ILE HB H 1.95 0.02 1 34 . 6 ILE HG12 H 1.73 0.02 2 35 . 6 ILE HG13 H 1.04 0.02 2 36 . 6 ILE HG2 H 0.58 0.02 1 37 . 6 ILE HD1 H 0.91 0.02 1 38 . 6 ILE C C 176.70 0.2 1 39 . 6 ILE CA C 64.66 0.2 1 40 . 6 ILE CB C 36.81 0.2 1 41 . 6 ILE CG1 C 29.50 0.2 1 42 . 6 ILE CG2 C 17.28 0.2 1 43 . 6 ILE CD1 C 13.55 0.2 1 44 . 6 ILE N N 120.58 0.2 1 45 . 7 TRP H H 8.55 0.02 1 46 . 7 TRP HA H 4.51 0.02 1 47 . 7 TRP HB2 H 3.48 0.02 2 48 . 7 TRP HB3 H 3.37 0.02 2 49 . 7 TRP C C 176.80 0.2 1 50 . 7 TRP CA C 59.97 0.2 1 51 . 7 TRP CB C 29.12 0.2 1 52 . 7 TRP N N 118.39 0.2 1 53 . 8 LYS H H 7.81 0.02 1 54 . 8 LYS HA H 4.02 0.02 1 55 . 8 LYS HB2 H 1.97 0.02 2 56 . 8 LYS HB3 H 1.73 0.02 2 57 . 8 LYS HG2 H 1.59 0.02 4 58 . 8 LYS HG3 H 1.59 0.02 4 59 . 8 LYS C C 179.53 0.2 1 60 . 8 LYS CA C 59.73 0.2 1 61 . 8 LYS CB C 32.33 0.2 1 62 . 8 LYS CG C 25.40 0.2 1 63 . 8 LYS CD C 29.43 0.2 1 64 . 8 LYS N N 116.51 0.2 1 65 . 9 LEU H H 7.40 0.02 1 66 . 9 LEU HA H 4.38 0.02 1 67 . 9 LEU HB2 H 1.92 0.02 1 68 . 9 LEU HB3 H 1.92 0.02 1 69 . 9 LEU HG H 1.78 0.02 1 70 . 9 LEU HD1 H 1.06 0.02 1 71 . 9 LEU HD2 H 0.86 0.02 1 72 . 9 LEU C C 178.89 0.2 1 73 . 9 LEU CA C 57.91 0.2 1 74 . 9 LEU CB C 41.66 0.2 1 75 . 9 LEU CG C 27.48 0.2 1 76 . 9 LEU CD1 C 25.69 0.2 1 77 . 9 LEU CD2 C 25.66 0.2 1 78 . 9 LEU N N 121.60 0.2 1 79 . 10 HIS H H 8.38 0.02 1 80 . 10 HIS HA H 4.58 0.02 1 81 . 10 HIS HB2 H 2.90 0.02 2 82 . 10 HIS HB3 H 2.57 0.02 2 83 . 10 HIS C C 178.69 0.2 1 84 . 10 HIS CA C 58.14 0.2 1 85 . 10 HIS CB C 30.26 0.2 1 86 . 10 HIS N N 121.53 0.2 1 87 . 11 GLU H H 8.71 0.02 1 88 . 11 GLU HA H 3.84 0.02 1 89 . 11 GLU HB2 H 1.92 0.02 1 90 . 11 GLU HB3 H 1.92 0.02 1 91 . 11 GLU C C 179.13 0.2 1 92 . 11 GLU CA C 60.12 0.2 1 93 . 11 GLU CB C 29.49 0.2 1 94 . 11 GLU CG C 36.77 0.2 1 95 . 11 GLU N N 118.86 0.2 1 96 . 12 GLU H H 8.03 0.02 1 97 . 12 GLU HA H 4.05 0.02 1 98 . 12 GLU HB2 H 1.95 0.02 2 99 . 12 GLU HB3 H 1.87 0.02 2 100 . 12 GLU HG2 H 2.48 0.02 2 101 . 12 GLU HG3 H 2.36 0.02 2 102 . 12 GLU C C 179.71 0.2 1 103 . 12 GLU CA C 59.30 0.2 1 104 . 12 GLU CB C 29.00 0.2 1 105 . 12 GLU CG C 35.78 0.2 1 106 . 12 GLU N N 120.79 0.2 1 107 . 13 PHE H H 8.52 0.02 1 108 . 13 PHE HA H 3.89 0.02 1 109 . 13 PHE HB2 H 3.12 0.02 2 110 . 13 PHE HB3 H 2.70 0.02 2 111 . 13 PHE C C 177.40 0.2 1 112 . 13 PHE CA C 62.88 0.2 1 113 . 13 PHE CB C 38.38 0.2 1 114 . 13 PHE N N 118.99 0.2 1 115 . 14 LEU H H 9.07 0.02 1 116 . 14 LEU HA H 4.01 0.02 1 117 . 14 LEU HB2 H 2.02 0.02 2 118 . 14 LEU HB3 H 1.58 0.02 2 119 . 14 LEU HG H 2.01 0.02 1 120 . 14 LEU HD1 H 1.01 0.02 1 121 . 14 LEU HD2 H 0.63 0.02 1 122 . 14 LEU C C 179.51 0.2 1 123 . 14 LEU CA C 59.10 0.2 1 124 . 14 LEU CB C 41.16 0.2 1 125 . 14 LEU CG C 27.33 0.2 1 126 . 14 LEU CD1 C 25.80 0.2 1 127 . 14 LEU CD2 C 22.26 0.2 1 128 . 14 LEU N N 122.06 0.2 1 129 . 15 LYS H H 7.83 0.02 1 130 . 15 LYS HA H 4.21 0.02 1 131 . 15 LYS HB2 H 1.99 0.02 1 132 . 15 LYS HB3 H 1.99 0.02 1 133 . 15 LYS HG2 H 1.75 0.02 1 134 . 15 LYS HG3 H 1.75 0.02 1 135 . 15 LYS C C 179.28 0.2 1 136 . 15 LYS CA C 59.26 0.2 1 137 . 15 LYS CB C 31.73 0.2 1 138 . 15 LYS CG C 24.84 0.2 1 139 . 15 LYS CD C 28.64 0.2 1 140 . 15 LYS N N 119.13 0.2 1 141 . 16 LYS H H 7.65 0.02 1 142 . 16 LYS HA H 4.10 0.02 1 143 . 16 LYS HB2 H 1.77 0.02 2 144 . 16 LYS HB3 H 1.72 0.02 2 145 . 16 LYS HG2 H 1.40 0.02 1 146 . 16 LYS HG3 H 1.40 0.02 1 147 . 16 LYS C C 179.98 0.2 1 148 . 16 LYS CA C 59.11 0.2 1 149 . 16 LYS CB C 32.27 0.2 1 150 . 16 LYS CG C 25.10 0.2 1 151 . 16 LYS CD C 28.55 0.2 1 152 . 16 LYS N N 119.67 0.2 1 153 . 17 PHE H H 8.83 0.02 1 154 . 17 PHE HA H 4.43 0.02 1 155 . 17 PHE HB2 H 3.12 0.02 2 156 . 17 PHE HB3 H 3.00 0.02 2 157 . 17 PHE C C 177.29 0.2 1 158 . 17 PHE CA C 60.84 0.2 1 159 . 17 PHE CB C 38.41 0.2 1 160 . 17 PHE N N 119.91 0.2 1 161 . 18 GLU H H 8.49 0.02 1 162 . 18 GLU HA H 3.94 0.02 1 163 . 18 GLU HB2 H 2.29 0.02 1 164 . 18 GLU HB3 H 2.29 0.02 1 165 . 18 GLU HG2 H 2.47 0.02 1 166 . 18 GLU HG3 H 2.47 0.02 1 167 . 18 GLU C C 179.08 0.2 1 168 . 18 GLU CA C 60.20 0.2 1 169 . 18 GLU CB C 29.49 0.2 1 170 . 18 GLU CG C 36.45 0.2 1 171 . 18 GLU N N 120.24 0.2 1 172 . 19 GLU H H 8.06 0.02 1 173 . 19 GLU HA H 4.11 0.02 1 174 . 19 GLU HB2 H 2.28 0.02 2 175 . 19 GLU HB3 H 2.23 0.02 2 176 . 19 GLU HG2 H 2.52 0.02 1 177 . 19 GLU HG3 H 2.52 0.02 1 178 . 19 GLU C C 179.74 0.2 1 179 . 19 GLU CA C 59.35 0.2 1 180 . 19 GLU CB C 29.32 0.2 1 181 . 19 GLU CG C 36.27 0.2 1 182 . 19 GLU N N 118.59 0.2 1 183 . 20 LEU H H 8.13 0.02 1 184 . 20 LEU HA H 4.41 0.02 1 185 . 20 LEU HB2 H 2.05 0.02 2 186 . 20 LEU HB3 H 1.89 0.02 2 187 . 20 LEU HG H 1.91 0.02 1 188 . 20 LEU HD1 H 0.92 0.02 1 189 . 20 LEU HD2 H 0.83 0.02 1 190 . 20 LEU C C 179.21 0.2 1 191 . 20 LEU CA C 57.95 0.2 1 192 . 20 LEU CB C 42.81 0.2 1 193 . 20 LEU CG C 27.27 0.2 1 194 . 20 LEU CD1 C 25.65 0.2 1 195 . 20 LEU CD2 C 24.37 0.2 1 196 . 20 LEU N N 121.52 0.2 1 197 . 21 LEU H H 8.48 0.02 1 198 . 21 LEU HA H 4.02 0.02 1 199 . 21 LEU HB2 H 1.90 0.02 2 200 . 21 LEU HB3 H 1.08 0.02 2 201 . 21 LEU HG H 1.76 0.02 1 202 . 21 LEU HD1 H 0.57 0.02 1 203 . 21 LEU HD2 H 0.20 0.02 1 204 . 21 LEU C C 179.00 0.2 1 205 . 21 LEU CA C 57.99 0.2 1 206 . 21 LEU CB C 40.17 0.2 1 207 . 21 LEU CG C 25.83 0.2 1 208 . 21 LEU CD1 C 25.97 0.2 1 209 . 21 LEU CD2 C 21.07 0.2 1 210 . 21 LEU N N 119.86 0.2 1 211 . 22 LYS H H 7.96 0.02 1 212 . 22 LYS HA H 4.27 0.02 1 213 . 22 LYS HB2 H 2.05 0.02 2 214 . 22 LYS HB3 H 1.52 0.02 2 215 . 22 LYS C C 179.78 0.2 1 216 . 22 LYS CA C 58.25 0.2 1 217 . 22 LYS CB C 31.87 0.2 1 218 . 22 LYS CG C 25.22 0.2 1 219 . 22 LYS CD C 29.19 0.2 1 220 . 22 LYS N N 119.86 0.2 1 221 . 23 LEU H H 8.01 0.02 1 222 . 23 LEU HA H 4.31 0.02 1 223 . 23 LEU HB2 H 2.15 0.02 2 224 . 23 LEU HB3 H 2.10 0.02 2 225 . 23 LEU HG H 1.96 0.02 1 226 . 23 LEU HD1 H 1.11 0.02 1 227 . 23 LEU HD2 H 1.10 0.02 1 228 . 23 LEU C C 177.78 0.2 1 229 . 23 LEU CA C 57.58 0.2 1 230 . 23 LEU CB C 41.67 0.2 1 231 . 23 LEU CG C 27.07 0.2 1 232 . 23 LEU CD1 C 24.07 0.2 1 233 . 23 LEU CD2 C 24.22 0.2 1 234 . 23 LEU N N 121.27 0.2 1 235 . 24 HIS H H 8.32 0.02 1 236 . 24 HIS HA H 3.24 0.02 1 237 . 24 HIS HB2 H 3.45 0.02 2 238 . 24 HIS HB3 H 2.61 0.02 2 239 . 24 HIS C C 176.53 0.2 1 240 . 24 HIS CA C 59.73 0.2 1 241 . 24 HIS CB C 31.88 0.2 1 242 . 24 HIS N N 121.52 0.2 1 243 . 25 GLU H H 7.92 0.02 1 244 . 25 GLU HA H 3.58 0.02 1 245 . 25 GLU HB2 H 2.17 0.02 1 246 . 25 GLU HB3 H 2.17 0.02 1 247 . 25 GLU HG2 H 2.45 0.02 1 248 . 25 GLU HG3 H 2.45 0.02 1 249 . 25 GLU C C 177.48 0.2 1 250 . 25 GLU CA C 59.84 0.2 1 251 . 25 GLU CB C 29.49 0.2 1 252 . 25 GLU CG C 36.03 0.2 1 253 . 25 GLU N N 116.45 0.2 1 254 . 26 GLU H H 8.21 0.02 1 255 . 26 GLU HA H 3.92 0.02 1 256 . 26 GLU C C 179.67 0.2 1 257 . 26 GLU CA C 59.41 0.2 1 258 . 26 GLU CB C 29.42 0.2 1 259 . 26 GLU CG C 36.16 0.2 1 260 . 26 GLU N N 118.01 0.2 1 261 . 27 ARG H H 8.57 0.02 1 262 . 27 ARG HA H 4.00 0.02 1 263 . 27 ARG HB2 H 2.00 0.02 2 264 . 27 ARG HB3 H 1.91 0.02 2 265 . 27 ARG HG2 H 2.22 0.02 4 266 . 27 ARG C C 179.78 . 1 267 . 27 ARG CA C 59.45 . 1 268 . 27 ARG CB C 29.22 . 1 269 . 27 ARG CG C 27.00 . 1 270 . 27 ARG CD C 42.07 . 1 271 . 27 ARG N N 117.74 . 1 272 . 28 LEU H H 8.01 0.02 1 273 . 28 LEU HA H 3.85 0.02 1 274 . 28 LEU HB2 H 1.69 0.02 2 275 . 28 LEU HB3 H 1.38 0.02 2 276 . 28 LEU HG H 1.38 0.02 1 277 . 28 LEU HD1 H 0.31 0.02 1 278 . 28 LEU HD2 H 0.70 0.02 1 279 . 28 LEU C C 179.32 0.2 1 280 . 28 LEU CA C 57.47 0.2 1 281 . 28 LEU CB C 42.13 0.2 1 282 . 28 LEU CG C 26.84 0.2 1 283 . 28 LEU CD1 C 25.64 0.2 1 284 . 28 LEU CD2 C 25.25 0.2 1 285 . 28 LEU N N 121.27 0.2 1 286 . 29 LYS H H 7.91 0.02 1 287 . 29 LYS HA H 4.10 0.02 1 288 . 29 LYS HB2 H 1.96 0.02 1 289 . 29 LYS HB3 H 1.96 0.02 1 290 . 29 LYS C C 177.41 0.2 1 291 . 29 LYS CA C 58.58 0.2 1 292 . 29 LYS CB C 32.68 0.2 1 293 . 29 LYS CG C 26.04 0.2 1 294 . 29 LYS CD C 29.36 0.2 1 295 . 29 LYS N N 117.44 0.2 1 296 . 30 LYS H H 7.25 0.02 1 297 . 30 LYS HA H 4.42 0.02 1 298 . 30 LYS HB2 H 2.12 0.02 2 299 . 30 LYS HB3 H 1.80 0.02 2 300 . 30 LYS HG2 H 1.65 0.02 4 301 . 30 LYS HG3 H 1.55 0.02 4 302 . 30 LYS C C 175.99 0.2 1 303 . 30 LYS CA C 55.74 0.2 1 304 . 30 LYS CB C 32.91 0.2 1 305 . 30 LYS CG C 24.93 0.2 1 306 . 30 LYS CD C 28.89 0.2 1 307 . 30 LYS N N 116.93 0.2 1 308 . 31 LEU H H 7.15 0.02 1 309 . 31 LEU HA H 4.15 0.02 1 310 . 31 LEU HB2 H 1.87 0.02 2 311 . 31 LEU HB3 H 1.67 0.02 2 312 . 31 LEU HG H 1.93 0.02 1 313 . 31 LEU HD1 H 0.89 0.02 1 314 . 31 LEU HD2 H 0.89 0.02 1 315 . 31 LEU C C 182.58 0.2 1 316 . 31 LEU CA C 57.24 0.2 1 317 . 31 LEU CB C 42.84 0.2 1 318 . 31 LEU CG C 26.85 0.2 1 319 . 31 LEU CD1 C 26.71 0.2 1 320 . 31 LEU CD2 C 23.99 0.2 1 321 . 31 LEU N N 125.84 0.2 1 stop_ save_