data_30029 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GCN4p pH 1.5 ; _BMRB_accession_number 30029 _BMRB_flat_file_name bmr30029.str _Entry_type original _Submission_date 2016-03-01 _Accession_date 2016-03-01 _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 Brady M. R. . 2 Kaplan A. R. . 3 Alexandrescu A. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 166 "13C chemical shifts" 122 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-25 update BMRB 'update entry citation' 2017-03-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30027 'GCN4p pH 6.6' 30028 'GCN4p pH 4.4' stop_ _Original_release_date 2016-03-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear Magnetic Resonance Structures of GCN4p Are Largely Conserved When Ion Pairs Are Disrupted at Acidic pH but Show a Relaxation of the Coiled Coil Superhelix ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28230348 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kaplan Anne R. . 2 Brady Megan R. . 3 Maciejewski Mark W. . 4 Kammerer Richard A. . 5 Alexandrescu Andrei T. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 56 _Journal_issue 11 _Journal_ISSN 1520-4995 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1604 _Page_last 1619 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'General control protein GCN4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 3835.406 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 33 _Mol_residue_sequence ; GSMKQLEDKVEELLSKNYHL ENEVARLKKLVGE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 MET 4 4 LYS 5 5 GLN 6 6 LEU 7 7 GLU 8 8 ASP 9 9 LYS 10 10 VAL 11 11 GLU 12 12 GLU 13 13 LEU 14 14 LEU 15 15 SER 16 16 LYS 17 17 ASN 18 18 TYR 19 19 HIS 20 20 LEU 21 21 GLU 22 22 ASN 23 23 GLU 24 24 VAL 25 25 ALA 26 26 ARG 27 27 LEU 28 28 LYS 29 29 LYS 30 30 LEU 31 31 VAL 32 32 GLY 33 33 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 'GCN4, AAS3, ARG9, YEL009C' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.5 mM [U-99% 13C; U-99% 15N] GCN4p, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.5 mM [U-99% 13C; U-99% 15N] GCN4p, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 1.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 1.5 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _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 C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '3D HNCACB' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 GLY C C 169.680 0.000 1 2 2 2 SER C C 174.752 0.000 1 3 2 2 SER CA C 57.736 0.000 1 4 2 2 SER CB C 64.548 0.000 1 5 2 2 SER H H 8.813 0.006 1 6 2 2 SER HA H 4.093 0.004 1 7 2 2 SER HB3 H 3.709 0.000 2 8 2 2 SER HB2 H 3.896 0.009 2 9 2 2 SER N N 115.230 0.000 1 10 3 3 MET C C 177.341 0.000 1 11 3 3 MET CA C 58.586 0.000 1 12 3 3 MET CB C 31.944 0.000 1 13 3 3 MET CG C 30.81 0.000 1 14 3 3 MET H H 9.083 0.012 1 15 3 3 MET HA H 4.358 0.009 1 16 3 3 MET HB3 H 2.269 0.000 2 17 3 3 MET HB2 H 2.721 0.000 2 18 3 3 MET HG3 H 1.989 0.001 1 19 3 3 MET N N 122.570 0.000 1 20 4 4 LYS C C 178.097 0.000 1 21 4 4 LYS CA C 58.806 0.000 1 22 4 4 LYS CB C 32.014 0.000 1 23 4 4 LYS CG C 25.88 0.000 1 24 4 4 LYS CD C 27.85 0.000 1 25 4 4 LYS H H 8.446 0.021 1 26 4 4 LYS HA H 4.175 0.005 1 27 4 4 LYS HB3 H 1.987 0.001 2 28 4 4 LYS HB2 H 2.276 0.003 2 29 4 4 LYS HD3 H 0.883 0.013 1 30 4 4 LYS HD2 H 0.684 0.013 1 31 4 4 LYS HG3 H 1.633 0.003 1 32 4 4 LYS HG2 H 1.633 0.003 1 33 4 4 LYS N N 119.155 0.000 1 34 5 5 GLN C C 179.232 0.000 1 35 5 5 GLN CA C 58.930 0.000 1 36 5 5 GLN CB C 28.208 0.000 1 37 5 5 GLN CG C 33.45 0.000 1 38 5 5 GLN H H 7.995 0.015 1 39 5 5 GLN HA H 4.236 0.000 1 40 5 5 GLN HB3 H 1.981 0.005 2 41 5 5 GLN HB2 H 1.715 0.006 2 42 5 5 GLN HE21 H 7.691 0.000 1 43 5 5 GLN HE22 H 7.064 0.000 1 44 5 5 GLN HG3 H 2.369 0.019 2 45 5 5 GLN HG2 H 2.261 0.011 2 46 5 5 GLN N N 117.233 0.000 1 47 5 5 GLN NE2 N 111.793 0.000 1 48 6 6 LEU C C 178.367 0.000 1 49 6 6 LEU CA C 57.748 0.000 1 50 6 6 LEU CB C 42.336 0.000 1 51 6 6 LEU CD1 C 22.000 0.000 1 52 6 6 LEU CG C 27.997 0.000 1 53 6 6 LEU H H 8.176 0.013 1 54 6 6 LEU HA H 4.294 0.021 1 55 6 6 LEU HB3 H 1.711 0.007 2 56 6 6 LEU HB2 H 1.095 0.016 2 57 6 6 LEU HD1 H 0.627 0.013 2 58 6 6 LEU HD2 H 0.991 0.000 2 59 6 6 LEU HG H 1.911 0.017 1 60 6 6 LEU N N 121.126 0.000 1 61 7 7 GLU C C 178.855 0.000 1 62 7 7 GLU CA C 58.880 0.000 1 63 7 7 GLU CB C 27.353 0.000 1 64 7 7 GLU CG C 36.394 0.000 1 65 7 7 GLU H H 8.735 0.011 1 66 7 7 GLU HA H 4.118 0.018 1 67 7 7 GLU HB3 H 2.244 0.000 2 68 7 7 GLU HB2 H 2.435 0.011 2 69 7 7 GLU HG3 H 2.731 0.014 1 70 7 7 GLU HG2 H 2.731 0.014 1 71 7 7 GLU N N 118.616 0.000 1 72 8 8 ASP C C 176.956 0.000 1 73 8 8 ASP CA C 55.568 0.000 1 74 8 8 ASP CB C 37.018 0.000 1 75 8 8 ASP H H 8.519 0.000 1 76 8 8 ASP HA H 4.210 0.000 1 77 8 8 ASP HB3 H 2.620 0.008 2 78 8 8 ASP HB2 H 3.173 0.015 2 79 8 8 ASP N N 118.107 0.000 1 80 9 9 LYS C C 178.158 0.000 1 81 9 9 LYS CA C 59.078 0.000 1 82 9 9 LYS CB C 31.780 0.000 1 83 9 9 LYS CD C 29.00 0.000 1 84 9 9 LYS H H 8.122 0.011 1 85 9 9 LYS HA H 4.339 0.007 1 86 9 9 LYS HB3 H 1.987 0.000 2 87 9 9 LYS HB2 H 2.254 0.001 2 88 9 9 LYS HD3 H 1.154 0.008 1 89 9 9 LYS HG3 H 1.720 0.005 1 90 9 9 LYS N N 122.467 0.000 1 91 10 10 VAL C C 176.849 0.000 1 92 10 10 VAL CA C 67.406 0.000 1 93 10 10 VAL CB C 31.715 0.000 1 94 10 10 VAL CG1 C 20.160 0.000 2 95 10 10 VAL CG2 C 23.310 0.000 2 96 10 10 VAL H H 8.546 0.010 1 97 10 10 VAL HA H 3.545 0.006 1 98 10 10 VAL HB H 2.264 0.000 1 99 10 10 VAL HG1 H 1.172 0.001 2 100 10 10 VAL HG2 H 1.086 0.009 2 101 10 10 VAL N N 118.992 0.000 1 102 11 11 GLU C C 178.943 0.000 1 103 11 11 GLU CA C 58.901 0.000 1 104 11 11 GLU CB C 27.692 0.000 1 105 11 11 GLU CG C 37.59 0.000 1 106 11 11 GLU H H 8.014 0.013 1 107 11 11 GLU HA H 4.197 0.000 1 108 11 11 GLU HB2 H 2.14 0.004 1 109 11 11 GLU HB3 H 2.183 0.004 1 110 11 11 GLU HG3 H 2.427 0.021 1 111 11 11 GLU N N 116.265 0.000 1 112 12 12 GLU C C 178.812 0.000 1 113 12 12 GLU CA C 58.777 0.000 1 114 12 12 GLU CB C 27.810 0.000 1 115 12 12 GLU CG C 36.05 0.000 1 116 12 12 GLU H H 8.369 0.008 1 117 12 12 GLU HA H 4.305 0.017 1 118 12 12 GLU HB3 H 2.442 0.005 1 119 12 12 GLU HG3 H 2.719 0.000 2 120 12 12 GLU HG2 H 2.888 0.008 2 121 12 12 GLU N N 119.500 0.000 1 122 13 13 LEU C C 179.172 0.000 1 123 13 13 LEU CA C 57.940 0.000 1 124 13 13 LEU CB C 43.340 0.000 1 125 13 13 LEU CG C 26.35 0.000 1 126 13 13 LEU CD1 C 24.49 0.000 1 127 13 13 LEU H H 8.813 0.016 1 128 13 13 LEU HA H 4.187 0.005 1 129 13 13 LEU HB3 H 1.437 0.001 2 130 13 13 LEU HB2 H 1.427 0.018 2 131 13 13 LEU HD1 H 1.077 0.007 1 132 13 13 LEU HG H 2.091 0.012 1 133 13 13 LEU N N 121.101 0.000 1 134 14 14 LEU C C 179.395 0.000 1 135 14 14 LEU CA C 58.059 0.000 1 136 14 14 LEU CB C 41.862 0.000 1 137 14 14 LEU CG C 25.84 0.000 1 138 14 14 LEU CD1 C 26.54 0.000 1 139 14 14 LEU H H 9.036 0.020 1 140 14 14 LEU HA H 4.205 0.000 1 141 14 14 LEU HB3 H 2.074 0.002 2 142 14 14 LEU HB2 H 1.634 0.003 2 143 14 14 LEU HD1 H 1.075 0.004 1 144 14 14 LEU HG H 1.439 0.002 1 145 14 14 LEU N N 121.270 0.000 1 146 15 15 SER C C 177.473 0.000 1 147 15 15 SER CA C 61.345 0.000 1 148 15 15 SER CB C 62.515 0.000 1 149 15 15 SER H H 7.917 0.014 1 150 15 15 SER HA H 4.237 0.000 1 151 15 15 SER HB3 H 4.447 0.011 1 152 15 15 SER N N 113.887 0.000 1 153 16 16 LYS C C 178.459 0.000 1 154 16 16 LYS CA C 59.507 0.000 1 155 16 16 LYS CB C 32.627 0.000 1 156 16 16 LYS CD C 26.26 0.000 1 157 16 16 LYS H H 8.464 0.002 1 158 16 16 LYS HA H 4.192 0.014 1 159 16 16 LYS HB3 H 1.870 0.019 2 160 16 16 LYS HB2 H 2.087 0.005 2 161 16 16 LYS HD3 H 1.08 0.004 1 162 16 16 LYS HD2 H 0.623 0.004 1 163 16 16 LYS HG3 H 1.630 0.002 1 164 16 16 LYS N N 122.118 0.000 1 165 17 17 ASN C C 176.773 0.000 1 166 17 17 ASN CA C 57.177 0.000 1 167 17 17 ASN CB C 38.641 0.000 1 168 17 17 ASN H H 8.966 0.005 1 169 17 17 ASN HA H 4.186 0.001 1 170 17 17 ASN HB3 H 2.908 0.027 2 171 17 17 ASN HB2 H 3.453 0.008 2 172 17 17 ASN HD21 H 7.809 0.007 1 173 17 17 ASN HD22 H 6.527 0.011 1 174 17 17 ASN N N 119.229 0.000 1 175 17 17 ASN ND2 N 122.423 0.057 1 176 18 18 TYR C C 177.943 0.000 1 177 18 18 TYR CA C 60.562 0.000 1 178 18 18 TYR CB C 37.456 0.000 1 179 18 18 TYR H H 8.468 0.014 1 180 18 18 TYR HA H 4.519 0.016 1 181 18 18 TYR HB2 H 2.73 0.015 1 182 18 18 TYR HB3 H 3.377 0.015 1 183 18 18 TYR N N 120.031 0.000 1 184 19 19 HIS C C 177.916 0.000 1 185 19 19 HIS CA C 58.946 0.000 1 186 19 19 HIS CB C 27.847 0.000 1 187 19 19 HIS H H 8.194 0.009 1 188 19 19 HIS HA H 4.533 0.005 1 189 19 19 HIS HB2 H 3.33 0.020 1 190 19 19 HIS HB3 H 3.649 0.020 1 191 19 19 HIS N N 116.875 0.000 1 192 20 20 LEU C C 178.353 0.000 1 193 20 20 LEU CA C 57.999 0.000 1 194 20 20 LEU CB C 43.473 0.000 1 195 20 20 LEU CG C 27.394 0.000 1 196 20 20 LEU H H 8.908 0.010 1 197 20 20 LEU HA H 4.260 0.006 1 198 20 20 LEU HB3 H 1.458 0.019 1 199 20 20 LEU HD1 H 0.992 0.009 1 200 20 20 LEU HD2 H 0.992 0.009 1 201 20 20 LEU HG H 2.084 0.000 1 202 20 20 LEU N N 120.909 0.000 1 203 21 21 GLU C C 179.168 0.000 1 204 21 21 GLU CA C 59.044 0.000 1 205 21 21 GLU CB C 27.359 0.000 1 206 21 21 GLU CG C 36.95 0.000 1 207 21 21 GLU H H 8.972 0.001 1 208 21 21 GLU HA H 4.158 0.004 1 209 21 21 GLU HB3 H 2.348 0.000 1 210 21 21 GLU HG3 H 2.718 0.000 1 211 21 21 GLU N N 118.534 0.000 1 212 22 22 ASN C C 176.913 0.000 1 213 22 22 ASN CA C 55.855 0.000 1 214 22 22 ASN CB C 38.028 0.000 1 215 22 22 ASN H H 7.990 0.014 1 216 22 22 ASN HA H 4.601 0.021 1 217 22 22 ASN HB3 H 2.980 0.014 2 218 22 22 ASN HB2 H 2.526 0.000 2 219 22 22 ASN HD21 H 6.275 0.002 1 220 22 22 ASN HD22 H 7.527 0.010 1 221 22 22 ASN N N 118.560 0.000 1 222 22 22 ASN ND2 N 111.189 0.014 1 223 23 23 GLU C C 177.727 0.000 1 224 23 23 GLU CA C 59.072 0.000 1 225 23 23 GLU CB C 28.098 0.000 1 226 23 23 GLU CG C 36.847 0.000 1 227 23 23 GLU H H 8.201 0.009 1 228 23 23 GLU HA H 4.236 0.000 1 229 23 23 GLU HB3 H 2.098 0.000 2 230 23 23 GLU HB2 H 2.366 0.019 2 231 23 23 GLU HG3 H 2.927 0.000 1 232 23 23 GLU N N 121.824 0.000 1 233 24 24 VAL C C 176.627 0.000 1 234 24 24 VAL CA C 67.267 0.000 1 235 24 24 VAL CB C 31.566 0.000 1 236 24 24 VAL CG1 C 21.71 0.000 1 237 24 24 VAL H H 8.809 0.019 1 238 24 24 VAL HA H 3.271 0.000 1 239 24 24 VAL HB H 2.350 0.003 1 240 24 24 VAL HG1 H 1.174 0.003 1 241 24 24 VAL HG2 H 1.174 0.003 1 242 24 24 VAL N N 119.203 0.000 1 243 25 25 ALA C C 180.276 0.000 1 244 25 25 ALA CA C 55.290 0.000 1 245 25 25 ALA CB C 17.937 0.000 1 246 25 25 ALA H H 7.900 0.012 1 247 25 25 ALA HA H 4.182 0.005 1 248 25 25 ALA HB H 1.645 0.019 1 249 25 25 ALA N N 119.711 0.000 1 250 26 26 ARG C C 179.036 0.000 1 251 26 26 ARG CA C 59.189 0.000 1 252 26 26 ARG CB C 30.290 0.000 1 253 26 26 ARG CG C 27.64 0.000 1 254 26 26 ARG H H 7.931 0.017 1 255 26 26 ARG HA H 4.217 0.000 1 256 26 26 ARG HB3 H 1.895 0.016 2 257 26 26 ARG HB2 H 1.533 0.003 2 258 26 26 ARG HG3 H 2.075 0.009 1 259 26 26 ARG HG2 H 2.075 0.009 1 260 26 26 ARG N N 117.635 0.000 1 261 27 27 LEU C C 178.758 0.000 1 262 27 27 LEU CA C 57.922 0.000 1 263 27 27 LEU CB C 43.242 0.000 1 264 27 27 LEU CG C 25.80 0.000 1 265 27 27 LEU CD1 C 23.100 0.000 1 266 27 27 LEU H H 8.568 0.014 1 267 27 27 LEU HA H 4.196 0.012 1 268 27 27 LEU HB3 H 1.724 0.015 2 269 27 27 LEU HB2 H 1.719 0.016 2 270 27 27 LEU HD1 H 0.653 0.020 2 271 27 27 LEU HD2 H 0.982 0.001 2 272 27 27 LEU HG H 1.442 0.010 1 273 27 27 LEU N N 119.908 0.000 1 274 28 28 LYS C C 178.925 0.000 1 275 28 28 LYS CA C 60.109 0.000 1 276 28 28 LYS CB C 32.478 0.000 1 277 28 28 LYS CD C 26.815 0.000 1 278 28 28 LYS CG C 27.100 0.000 1 279 28 28 LYS H H 8.920 0.006 1 280 28 28 LYS HA H 3.993 0.011 1 281 28 28 LYS HB3 H 1.447 0.010 2 282 28 28 LYS HB2 H 1.967 0.000 2 283 28 28 LYS HD3 H 1.073 0.005 1 284 28 28 LYS HG3 H 1.642 0.007 1 285 28 28 LYS N N 117.314 0.000 1 286 29 29 LYS C C 178.325 0.000 1 287 29 29 LYS CA C 58.367 0.000 1 288 29 29 LYS CB C 32.212 0.000 1 289 29 29 LYS CG C 26.34 0.000 1 290 29 29 LYS H H 7.443 0.019 1 291 29 29 LYS HA H 4.243 0.000 1 292 29 29 LYS HB3 H 2.086 0.010 2 293 29 29 LYS HB2 H 1.945 0.000 2 294 29 29 LYS HG2 H 1.66 0.000 1 295 29 29 LYS HD3 H 1.094 0.000 1 296 29 29 LYS N N 117.073 0.000 1 297 30 30 LEU C C 178.590 0.000 1 298 30 30 LEU CA C 56.807 0.000 1 299 30 30 LEU CB C 42.352 0.000 1 300 30 30 LEU H H 7.737 0.020 1 301 30 30 LEU HA H 4.380 0.018 1 302 30 30 LEU HB3 H 1.796 0.013 1 303 30 30 LEU HD1 H 0.989 0.000 1 304 30 30 LEU HG H 2.135 0.000 1 305 30 30 LEU N N 118.731 0.000 1 306 31 31 VAL C C 176.264 0.000 1 307 31 31 VAL CA C 62.908 0.000 1 308 31 31 VAL CB C 32.004 0.000 1 309 31 31 VAL CG1 C 20.653 0.000 1 310 31 31 VAL H H 7.835 0.015 1 311 31 31 VAL HA H 4.258 0.011 1 312 31 31 VAL HB H 2.169 0.001 1 313 31 31 VAL HG1 H 0.986 0.000 2 314 31 31 VAL HG2 H 1.148 0.021 2 315 31 31 VAL N N 115.040 0.000 1 316 32 32 GLY CA C 45.513 0.000 1 317 32 32 GLY H H 8.017 0.012 1 318 32 32 GLY HA3 H 4.170 0.005 1 319 32 32 GLY N N 108.567 0.000 1 320 33 33 GLU CA C 54.380 0.000 1 321 33 33 GLU CB C 28.763 0.000 1 322 33 33 GLU HA H 4.176 0.000 1 stop_ save_