data_30027 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GCN4p pH 6.6 ; _BMRB_accession_number 30027 _BMRB_flat_file_name bmr30027.str _Entry_type original _Submission_date 2016-02-25 _Accession_date 2016-02-25 _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 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" 213 "13C chemical shifts" 114 "15N chemical shifts" 36 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 30028 'GCN4p pH 4.4' 30029 'GCN4p pH 1.5' stop_ _Original_release_date 2016-03-02 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, chain 1' $entity_1 'entity_1, chain 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 'General control protein GCN4' _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]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 10 mM 'natural abundance' 'phosphate buffer' 10 mM 'natural abundance' 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 'cryogenic probe' 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_ ####################### # 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 6.6 . pH pressure 1 . atm temperature 298 . 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, chain 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 CA C 43.400 0.000 1 2 1 1 GLY H H 7.690 0.000 1 3 1 1 GLY HA2 H 3.825 0.001 2 4 1 1 GLY HA3 H 4.186 0.000 2 5 1 1 GLY N N 113.394 0.000 1 6 2 2 SER CA C 57.170 0.000 1 7 2 2 SER CB C 64.500 0.000 1 8 2 2 SER H H 8.672 0.000 1 9 2 2 SER HA H 4.101 0.020 1 10 2 2 SER HB2 H 3.925 0.000 2 11 2 2 SER HB3 H 4.108 0.000 2 12 2 2 SER HG H 2.179 0.000 1 13 2 2 SER N N 114.309 0.000 1 14 3 3 MET CA C 58.200 0.000 1 15 3 3 MET CB C 31.053 0.000 1 16 3 3 MET CE C 17.994 0.000 1 17 3 3 MET CG C 31.900 0.000 1 18 3 3 MET H H 8.889 0.000 1 19 3 3 MET HA H 4.188 0.006 1 20 3 3 MET HB2 H 2.457 0.000 2 21 3 3 MET HB3 H 2.161 0.012 2 22 3 3 MET HE H 2.267 0.000 1 23 3 3 MET HG3 H 2.542 0.003 2 24 3 3 MET HG2 H 2.082 0.003 2 25 3 3 MET N N 122.885 0.000 1 26 4 4 LYS CA C 57.653 0.000 1 27 4 4 LYS CB C 31.600 0.000 1 28 4 4 LYS CD C 27.300 0.000 1 29 4 4 LYS CE C 41.700 0.000 1 30 4 4 LYS CG C 24.450 0.000 1 31 4 4 LYS H H 8.188 0.007 1 32 4 4 LYS HA H 4.198 0.004 1 33 4 4 LYS HB2 H 1.456 0.000 2 34 4 4 LYS HB3 H 1.752 0.006 2 35 4 4 LYS HD2 H 1.632 0.000 2 36 4 4 LYS HD3 H 0.918 0.000 2 37 4 4 LYS HE2 H 3.084 0.000 2 38 4 4 LYS HE3 H 3.371 0.000 2 39 4 4 LYS HG2 H 1.638 0.001 2 40 4 4 LYS HG3 H 1.274 0.001 2 41 4 4 LYS N N 119.939 0.000 1 42 5 5 GLN CA C 59.147 0.000 1 43 5 5 GLN CB C 29.017 0.000 1 44 5 5 GLN CG C 34.000 0.000 1 45 5 5 GLN H H 7.737 0.005 1 46 5 5 GLN HA H 4.091 0.024 1 47 5 5 GLN HB2 H 2.011 0.000 2 48 5 5 GLN HB3 H 2.265 0.003 2 49 5 5 GLN HE21 H 6.901 0.005 1 50 5 5 GLN HE22 H 7.618 0.008 1 51 5 5 GLN HG2 H 2.130 0.000 2 52 5 5 GLN HG3 H 2.457 0.000 2 53 5 5 GLN N N 117.797 0.000 1 54 5 5 GLN NE2 N 112.200 0.000 1 55 6 6 LEU CA C 57.200 0.000 1 56 6 6 LEU CB C 42.300 0.000 1 57 6 6 LEU CD1 C 23.100 0.000 2 58 6 6 LEU CD2 C 22.000 0.000 2 59 6 6 LEU CG C 27.447 0.000 1 60 6 6 LEU H H 7.839 0.014 1 61 6 6 LEU HA H 4.185 0.010 1 62 6 6 LEU HB2 H 1.436 0.012 2 63 6 6 LEU HB3 H 2.015 0.015 2 64 6 6 LEU HD1 H 0.843 0.014 2 65 6 6 LEU HD2 H 0.908 0.010 2 66 6 6 LEU HG H 1.797 0.025 1 67 6 6 LEU N N 121.313 0.000 1 68 7 7 GLU CA C 60.147 0.000 1 69 7 7 GLU CB C 29.300 0.000 1 70 7 7 GLU CG C 35.300 0.000 1 71 7 7 GLU H H 8.657 0.010 1 72 7 7 GLU HA H 3.840 0.000 1 73 7 7 GLU HB2 H 2.251 0.000 2 74 7 7 GLU HB3 H 2.189 0.000 2 75 7 7 GLU HG2 H 2.524 0.000 2 76 7 7 GLU HG3 H 2.083 0.000 2 77 7 7 GLU N N 120.752 0.000 1 78 8 8 ASP CA C 56.800 0.000 1 79 8 8 ASP CB C 39.647 0.000 1 80 8 8 ASP H H 8.641 0.001 1 81 8 8 ASP HA H 4.391 0.012 1 82 8 8 ASP HB2 H 2.797 0.001 2 83 8 8 ASP HB3 H 2.655 0.006 2 84 8 8 ASP N N 120.018 0.000 1 85 9 9 LYS CA C 57.700 0.000 1 86 9 9 LYS CB C 31.247 0.000 1 87 9 9 LYS CD C 28.453 0.000 1 88 9 9 LYS CE C 42.447 0.000 1 89 9 9 LYS CG C 24.153 0.000 1 90 9 9 LYS H H 7.912 0.002 1 91 9 9 LYS HA H 4.205 0.008 1 92 9 9 LYS HB2 H 1.583 0.019 2 93 9 9 LYS HB3 H 1.813 0.004 2 94 9 9 LYS HD2 H 1.714 0.000 2 95 9 9 LYS HD3 H 0.994 0.004 2 96 9 9 LYS HE2 H 3.061 0.000 2 97 9 9 LYS HE3 H 3.277 0.000 2 98 9 9 LYS HG2 H 1.378 0.002 2 99 9 9 LYS HG3 H 1.718 0.000 2 100 9 9 LYS N N 123.632 0.000 1 101 10 10 VAL CA C 68.047 0.000 1 102 10 10 VAL CB C 31.647 0.000 1 103 10 10 VAL CG1 C 24.400 0.000 2 104 10 10 VAL CG2 C 21.247 0.000 2 105 10 10 VAL H H 8.450 0.011 1 106 10 10 VAL HA H 3.427 0.013 1 107 10 10 VAL HB H 2.233 0.026 1 108 10 10 VAL HG1 H 1.083 0.013 2 109 10 10 VAL HG2 H 0.889 0.017 2 110 10 10 VAL N N 120.228 0.000 1 111 11 11 GLU CA C 58.553 0.000 1 112 11 11 GLU CB C 28.800 0.000 1 113 11 11 GLU CG C 37.041 0.000 1 114 11 11 GLU H H 7.773 0.010 1 115 11 11 GLU HA H 4.170 0.000 1 116 11 11 GLU HB2 H 2.092 0.008 2 117 11 11 GLU HB3 H 1.985 0.008 2 118 11 11 GLU HG2 H 2.187 0.004 2 119 11 11 GLU HG3 H 2.452 0.005 2 120 11 11 GLU N N 117.009 0.000 1 121 12 12 GLU CA C 58.647 0.000 1 122 12 12 GLU CB C 29.300 0.000 1 123 12 12 GLU CG C 35.500 0.000 1 124 12 12 GLU H H 8.193 0.008 1 125 12 12 GLU HA H 4.174 0.004 1 126 12 12 GLU HB2 H 2.036 0.020 2 127 12 12 GLU HB3 H 2.264 0.000 2 128 12 12 GLU HG2 H 2.440 0.018 2 129 12 12 GLU HG3 H 2.361 0.017 2 130 12 12 GLU N N 121.078 0.000 1 131 13 13 LEU CA C 57.700 0.000 1 132 13 13 LEU CB C 42.800 0.000 1 133 13 13 LEU CD1 C 22.300 0.000 2 134 13 13 LEU CD2 C 24.353 0.000 2 135 13 13 LEU CG C 26.900 0.000 1 136 13 13 LEU H H 8.664 0.006 1 137 13 13 LEU HA H 4.044 0.000 1 138 13 13 LEU HB2 H 1.271 0.013 2 139 13 13 LEU HB3 H 2.041 0.022 2 140 13 13 LEU HD1 H 0.850 0.025 2 141 13 13 LEU HD2 H 0.819 0.018 2 142 13 13 LEU HG H 1.813 0.021 1 143 13 13 LEU N N 120.692 0.000 1 144 14 14 LEU CA C 58.247 0.000 1 145 14 14 LEU CB C 41.950 0.000 1 146 14 14 LEU CD1 C 23.400 0.000 2 147 14 14 LEU CD2 C 25.447 0.000 2 148 14 14 LEU CG C 26.353 0.000 1 149 14 14 LEU H H 9.097 0.016 1 150 14 14 LEU HA H 4.092 0.000 1 151 14 14 LEU HB2 H 1.990 0.011 2 152 14 14 LEU HB3 H 1.467 0.011 2 153 14 14 LEU HD1 H 0.928 0.009 2 154 14 14 LEU HD2 H 0.823 0.009 2 155 14 14 LEU HG H 1.729 0.000 1 156 14 14 LEU N N 122.323 0.000 1 157 15 15 SER CA C 60.453 0.000 1 158 15 15 SER CB C 62.400 0.000 1 159 15 15 SER H H 7.844 0.004 1 160 15 15 SER HA H 4.096 0.005 1 161 15 15 SER HB2 H 4.369 0.006 2 162 15 15 SER HB3 H 4.021 0.000 2 163 15 15 SER N N 114.879 0.000 1 164 16 16 LYS CA C 59.100 0.000 1 165 16 16 LYS CB C 32.500 0.000 1 166 16 16 LYS CD C 27.903 0.000 1 167 16 16 LYS CE C 41.500 0.000 1 168 16 16 LYS CG C 25.07 0.000 1 169 16 16 LYS H H 8.285 0.009 1 170 16 16 LYS HA H 4.177 0.006 1 171 16 16 LYS HB2 H 1.878 0.021 2 172 16 16 LYS HB3 H 1.699 0.023 2 173 16 16 LYS HD2 H 1.613 0.000 2 174 16 16 LYS HD3 H 0.899 0.000 2 175 16 16 LYS HE2 H 2.935 0.000 2 176 16 16 LYS HE3 H 3.276 0.000 2 177 16 16 LYS HG2 H 1.450 0.008 2 178 16 16 LYS HG3 H 1.545 0.008 2 179 16 16 LYS N N 122.413 0.000 1 180 17 17 ASN CA C 57.347 0.000 1 181 17 17 ASN CB C 38.600 0.000 1 182 17 17 ASN H H 8.830 0.001 1 183 17 17 ASN HA H 4.378 0.005 1 184 17 17 ASN HB2 H 3.261 0.019 2 185 17 17 ASN HB3 H 2.738 0.017 2 186 17 17 ASN HD21 H 7.610 0.009 1 187 17 17 ASN HD22 H 6.656 0.000 1 188 17 17 ASN N N 119.624 0.000 1 189 17 17 ASN ND2 N 123.466 0.000 1 190 18 18 TYR CA C 60.500 0.000 1 191 18 18 TYR CB C 37.153 0.000 1 192 18 18 TYR H H 8.208 0.006 1 193 18 18 TYR HA H 4.388 0.010 1 194 18 18 TYR HB2 H 3.222 0.010 2 195 18 18 TYR HB3 H 2.796 0.010 2 196 18 18 TYR HD1 H 7.046 0.020 1 197 18 18 TYR HD2 H 7.046 0.020 1 198 18 18 TYR HE1 H 6.841 0.000 1 199 18 18 TYR HE2 H 6.841 0.000 1 200 18 18 TYR N N 120.529 0.000 1 201 19 19 HIS CA C 59.100 0.000 1 202 19 19 HIS CB C 29.394 0.000 1 203 19 19 HIS H H 7.835 0.009 1 204 19 19 HIS HA H 4.344 0.022 1 205 19 19 HIS HB2 H 3.331 0.006 2 206 19 19 HIS HB3 H 2.911 0.006 2 207 19 19 HIS HD2 H 7.851 0.000 1 208 19 19 HIS HE1 H 8.199 0.000 1 209 19 19 HIS N N 118.050 0.000 1 210 20 20 LEU CA C 57.700 0.000 1 211 20 20 LEU CB C 43.200 0.000 1 212 20 20 LEU CD1 C 23.850 0.000 2 213 20 20 LEU CD2 C 24.547 0.000 2 214 20 20 LEU CG C 26.847 0.000 1 215 20 20 LEU H H 8.567 0.006 1 216 20 20 LEU HA H 3.974 0.007 1 217 20 20 LEU HB2 H 1.280 0.003 2 218 20 20 LEU HB3 H 1.650 0.013 2 219 20 20 LEU HD1 H 0.980 0.013 2 220 20 20 LEU HD2 H 0.894 0.003 2 221 20 20 LEU HG H 2.093 0.008 1 222 20 20 LEU N N 120.734 0.000 1 223 21 21 GLU CA C 59.600 0.000 1 224 21 21 GLU CB C 29.347 0.000 1 225 21 21 GLU CG C 36.400 0.000 1 226 21 21 GLU H H 8.883 0.025 1 227 21 21 GLU HA H 3.942 0.000 1 228 21 21 GLU HB2 H 2.184 0.004 2 229 21 21 GLU HB3 H 2.017 0.003 2 230 21 21 GLU HG2 H 2.468 0.004 2 231 21 21 GLU HG3 H 2.186 0.005 2 232 21 21 GLU N N 119.793 0.000 1 233 22 22 ASN CA C 55.400 0.000 1 234 22 22 ASN CB C 37.200 0.000 1 235 22 22 ASN H H 7.752 0.006 1 236 22 22 ASN HA H 4.429 0.023 1 237 22 22 ASN HB2 H 2.843 0.005 2 238 22 22 ASN HB3 H 2.745 0.004 2 239 22 22 ASN HD21 H 7.457 0.005 1 240 22 22 ASN HD22 H 5.835 0.015 1 241 22 22 ASN N N 119.297 0.000 1 242 22 22 ASN ND2 N 111.637 0.040 1 243 23 23 GLU CA C 58.200 0.000 1 244 23 23 GLU CB C 29.700 0.000 1 245 23 23 GLU CG C 36.300 0.000 1 246 23 23 GLU H H 8.135 0.006 1 247 23 23 GLU HA H 4.471 0.003 1 248 23 23 GLU HB2 H 2.102 0.006 2 249 23 23 GLU HB3 H 1.972 0.006 2 250 23 23 GLU HG2 H 2.282 0.000 2 251 23 23 GLU HG3 H 2.455 0.000 2 252 23 23 GLU N N 124.212 0.000 1 253 24 24 VAL CA C 67.000 0.000 1 254 24 24 VAL CB C 31.647 0.000 1 255 24 24 VAL CG1 C 25.000 0.000 2 256 24 24 VAL CG2 C 21.000 0.000 2 257 24 24 VAL H H 8.732 0.011 1 258 24 24 VAL HA H 3.396 0.014 1 259 24 24 VAL HB H 2.081 0.021 1 260 24 24 VAL HG1 H 1.001 0.015 2 261 24 24 VAL HG2 H 0.871 0.003 2 262 24 24 VAL N N 120.481 0.000 1 263 25 25 ALA CA C 54.900 0.000 1 264 25 25 ALA CB C 17.600 0.000 1 265 25 25 ALA H H 7.752 0.006 1 266 25 25 ALA HA H 4.013 0.014 1 267 25 25 ALA HB H 1.455 0.010 1 268 25 25 ALA N N 120.034 0.000 1 269 26 26 ARG CA C 59.647 0.000 1 270 26 26 ARG CB C 30.200 0.000 1 271 26 26 ARG CD C 42.400 0.000 1 272 26 26 ARG CG C 28.194 0.000 1 273 26 26 ARG H H 7.970 0.020 1 274 26 26 ARG HA H 3.994 0.000 1 275 26 26 ARG HB2 H 1.900 0.011 2 276 26 26 ARG HB3 H 2.113 0.011 2 277 26 26 ARG HD2 H 2.923 0.004 2 278 26 26 ARG HD3 H 3.376 0.000 2 279 26 26 ARG HG2 H 2.174 0.017 2 280 26 26 ARG HG3 H 2.106 0.028 2 281 26 26 ARG N N 119.922 0.000 1 282 27 27 LEU CA C 57.700 0.000 1 283 27 27 LEU CB C 43.700 0.000 1 284 27 27 LEU CD1 C 23.100 0.000 2 285 27 27 LEU CD2 C 24.944 0.000 2 286 27 27 LEU CG C 26.353 0.000 1 287 27 27 LEU H H 8.460 0.004 1 288 27 27 LEU HA H 3.942 0.015 1 289 27 27 LEU HB2 H 1.305 0.017 2 290 27 27 LEU HB3 H 1.921 0.021 2 291 27 27 LEU HD1 H 0.831 0.000 2 292 27 27 LEU HD2 H 0.903 0.000 2 293 27 27 LEU HG H 1.656 0.015 1 294 27 27 LEU N N 120.524 0.000 1 295 28 28 LYS CA C 61.047 0.000 1 296 28 28 LYS CB C 32.100 0.000 1 297 28 28 LYS CD C 29.000 0.000 1 298 28 28 LYS CE C 41.947 0.000 1 299 28 28 LYS CG C 27.100 0.000 1 300 28 28 LYS H H 9.025 0.007 1 301 28 28 LYS HA H 3.804 0.015 1 302 28 28 LYS HB2 H 1.280 0.000 2 303 28 28 LYS HB3 H 1.812 0.014 2 304 28 28 LYS HD2 H 1.700 0.023 2 305 28 28 LYS HD3 H 0.903 0.000 2 306 28 28 LYS HE2 H 2.919 0.000 2 307 28 28 LYS HE3 H 3.377 0.000 2 308 28 28 LYS HG2 H 1.582 0.002 2 309 28 28 LYS HG3 H 1.351 0.000 2 310 28 28 LYS N N 118.977 0.000 1 311 29 29 LYS CA C 58.200 0.000 1 312 29 29 LYS CB C 32.100 0.000 1 313 29 29 LYS CD C 29.000 0.000 1 314 29 29 LYS CE C 41.747 0.000 1 315 29 29 LYS CG C 25.247 0.000 1 316 29 29 LYS H H 7.312 0.002 1 317 29 29 LYS HA H 4.182 0.009 1 318 29 29 LYS HB2 H 1.906 0.002 2 319 29 29 LYS HB3 H 1.723 0.010 2 320 29 29 LYS HD2 H 1.526 0.000 2 321 29 29 LYS HD3 H 1.093 0.000 2 322 29 29 LYS HE2 H 2.916 0.008 2 323 29 29 LYS HE3 H 3.286 0.008 2 324 29 29 LYS HG2 H 1.545 0.001 2 325 29 29 LYS HG3 H 1.646 0.000 2 326 29 29 LYS N N 117.147 0.000 1 327 30 30 LEU CA C 56.800 0.000 1 328 30 30 LEU CB C 42.300 0.000 1 329 30 30 LEU CD1 C 22.300 0.000 2 330 30 30 LEU CD2 C 24.900 0.000 2 331 30 30 LEU CG C 25.000 0.000 1 332 30 30 LEU H H 7.449 0.016 1 333 30 30 LEU HA H 4.195 0.006 1 334 30 30 LEU HB2 H 1.593 0.021 2 335 30 30 LEU HB3 H 1.909 0.021 2 336 30 30 LEU HD1 H 0.868 0.008 2 337 30 30 LEU HD2 H 0.945 0.008 2 338 30 30 LEU HG H 2.086 0.002 1 339 30 30 LEU N N 118.834 0.000 1 340 31 31 VAL CA C 61.900 0.000 1 341 31 31 VAL CB C 32.100 0.000 1 342 31 31 VAL CG1 C 21.200 0.000 2 343 31 31 VAL CG2 C 20.847 0.000 2 344 31 31 VAL H H 7.671 0.016 1 345 31 31 VAL HA H 4.173 0.019 1 346 31 31 VAL HB H 2.189 0.003 1 347 31 31 VAL HG1 H 0.901 0.015 2 348 31 31 VAL HG2 H 0.986 0.015 2 349 31 31 VAL N N 113.699 0.000 1 350 32 32 GLY CA C 45.600 0.000 1 351 32 32 GLY H H 7.864 0.020 1 352 32 32 GLY HA2 H 3.867 0.019 2 353 32 32 GLY HA3 H 4.167 0.000 2 354 32 32 GLY N N 109.911 0.000 1 355 33 33 GLU CA C 56.653 0.000 1 356 33 33 GLU CB C 30.700 0.000 1 357 33 33 GLU CG C 35.500 0.000 1 358 33 33 GLU H H 7.805 0.000 1 359 33 33 GLU HA H 4.189 0.005 1 360 33 33 GLU HB2 H 2.170 0.000 2 361 33 33 GLU HB3 H 2.026 0.000 2 362 33 33 GLU HG3 H 2.111 0.000 1 363 33 33 GLU N N 126.136 0.000 1 stop_ save_