data_30028 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GCN4p pH 4.4 ; _BMRB_accession_number 30028 _BMRB_flat_file_name bmr30028.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" 202 "13C chemical shifts" 135 "15N chemical shifts" 35 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' 30029 'GCN4p pH 1.5' 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 '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_ 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 4.4 . 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 4.6 . 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 169.869 0.000 1 2 2 2 SER C C 174.927 0.000 1 3 2 2 SER CA C 57.706 0.000 1 4 2 2 SER CB C 64.987 0.000 1 5 2 2 SER H H 8.655 0.000 1 6 2 2 SER HA H 4.606 0.006 1 7 2 2 SER HB3 H 4.103 0.000 2 8 2 2 SER HB2 H 3.887 0.014 2 9 2 2 SER HG H 2.051 0.006 1 10 2 2 SER N N 115.440 0.000 1 11 3 3 MET C C 177.436 0.000 1 12 3 3 MET CA C 58.646 0.000 1 13 3 3 MET CB C 32.104 0.000 1 14 3 3 MET H H 8.914 0.007 1 15 3 3 MET HA H 4.179 0.019 1 16 3 3 MET HB3 H 2.524 0.022 2 17 3 3 MET HB2 H 2.079 0.014 2 18 3 3 MET N N 122.381 0.000 1 19 4 4 LYS C C 177.860 0.000 1 20 4 4 LYS CA C 59.006 0.000 1 21 4 4 LYS CB C 32.415 0.000 1 22 4 4 LYS CD C 27.300 0.000 1 23 4 4 LYS H H 8.221 0.022 1 24 4 4 LYS HA H 4.107 0.000 1 25 4 4 LYS HB3 H 1.725 0.004 1 26 4 4 LYS HB2 H 1.725 0.004 1 27 4 4 LYS HD3 H 0.888 0.000 2 28 4 4 LYS HD2 H 1.751 0.000 2 29 4 4 LYS HE3 H 3.322 0.004 1 30 4 4 LYS HG3 H 1.998 0.000 2 31 4 4 LYS HG2 H 1.356 0.000 2 32 4 4 LYS N N 119.588 0.000 1 33 5 5 GLN C C 179.608 0.000 1 34 5 5 GLN CA C 59.100 0.000 1 35 5 5 GLN CB C 28.473 0.000 1 36 5 5 GLN CG C 35.094 0.000 1 37 5 5 GLN H H 7.800 0.005 1 38 5 5 GLN HA H 4.106 0.013 1 39 5 5 GLN HB3 H 1.725 0.009 1 40 5 5 GLN HB2 H 1.725 0.009 1 41 5 5 GLN HE21 H 7.585 0.000 1 42 5 5 GLN HE22 H 6.892 0.010 1 43 5 5 GLN HG3 H 2.421 0.018 2 44 5 5 GLN HG2 H 2.416 0.013 2 45 5 5 GLN N N 116.850 0.000 1 46 5 5 GLN NE2 N 111.678 0.000 1 47 6 6 LEU C C 179.408 0.000 1 48 6 6 LEU CA C 57.936 0.000 1 49 6 6 LEU CB C 42.755 0.000 1 50 6 6 LEU CD1 C 22.000 0.000 2 51 6 6 LEU CD2 C 23.100 0.000 2 52 6 6 LEU CG C 27.750 0.000 1 53 6 6 LEU H H 7.891 0.000 1 54 6 6 LEU HA H 4.161 0.010 1 55 6 6 LEU HB3 H 1.428 0.015 2 56 6 6 LEU HB2 H 1.974 0.008 2 57 6 6 LEU HD1 H 0.848 0.026 2 58 6 6 LEU HD2 H 0.865 0.012 2 59 6 6 LEU HG H 1.788 0.005 1 60 6 6 LEU N N 120.694 0.000 1 61 7 7 GLU C C 178.297 0.000 1 62 7 7 GLU CA C 59.580 0.020 1 63 7 7 GLU CB C 28.188 0.000 1 64 7 7 GLU CG C 34.753 0.000 1 65 7 7 GLU H H 8.546 0.012 1 66 7 7 GLU HA H 3.919 0.017 1 67 7 7 GLU HB3 H 2.237 0.000 2 68 7 7 GLU HB2 H 2.093 0.000 2 69 7 7 GLU HG3 H 2.504 0.008 2 70 7 7 GLU HG2 H 2.177 0.011 2 71 7 7 GLU N N 120.490 0.000 1 72 8 8 ASP C C 178.449 0.000 1 73 8 8 ASP CA C 57.000 0.000 1 74 8 8 ASP CB C 39.248 0.000 1 75 8 8 ASP H H 8.568 0.003 1 76 8 8 ASP HA H 4.364 0.018 1 77 8 8 ASP HB3 H 2.703 0.011 2 78 8 8 ASP HB2 H 2.885 0.009 2 79 8 8 ASP N N 119.579 0.000 1 80 9 9 LYS C C 178.417 0.000 1 81 9 9 LYS CA C 58.623 0.000 1 82 9 9 LYS CB C 31.389 0.000 1 83 9 9 LYS CE C 42.994 0.000 1 84 9 9 LYS CG C 24.697 0.000 1 85 9 9 LYS H H 7.894 0.011 1 86 9 9 LYS HA H 4.179 0.006 1 87 9 9 LYS HB3 H 1.689 0.018 2 88 9 9 LYS HB2 H 1.997 0.015 2 89 9 9 LYS HD3 H 0.879 0.007 2 90 9 9 LYS HD2 H 1.613 0.010 2 91 9 9 LYS HE3 H 3.065 0.001 2 92 9 9 LYS HE2 H 3.343 0.000 2 93 9 9 LYS HG3 H 1.503 0.008 2 94 9 9 LYS HG2 H 1.705 0.000 2 95 9 9 LYS N N 122.658 0.000 1 96 10 10 VAL C C 177.150 0.000 1 97 10 10 VAL CA C 67.707 0.000 1 98 10 10 VAL CB C 31.730 0.000 1 99 10 10 VAL CG1 C 24.400 0.000 2 100 10 10 VAL CG2 C 20.153 0.000 2 101 10 10 VAL H H 8.393 0.018 1 102 10 10 VAL HA H 3.421 0.017 1 103 10 10 VAL HB H 2.229 0.018 1 104 10 10 VAL HG1 H 0.877 0.005 1 105 10 10 VAL HG2 H 0.877 0.005 1 106 10 10 VAL N N 119.542 0.000 1 107 11 11 GLU C C 179.287 0.000 1 108 11 11 GLU CA C 59.282 0.000 1 109 11 11 GLU CB C 28.265 0.000 1 110 11 11 GLU CG C 35.947 0.000 1 111 11 11 GLU H H 7.886 0.018 1 112 11 11 GLU HA H 3.993 0.013 1 113 11 11 GLU HB3 H 2.080 0.009 2 114 11 11 GLU HB2 H 2.165 0.001 2 115 11 11 GLU HG3 H 2.158 0.000 1 116 11 11 GLU HG2 H 2.158 0.000 1 117 11 11 GLU N N 116.832 0.000 1 118 12 12 GLU C C 179.315 0.000 1 119 12 12 GLU CA C 59.308 0.000 1 120 12 12 GLU CB C 29.224 0.000 1 121 12 12 GLU CG C 35.500 0.000 1 122 12 12 GLU H H 8.248 0.009 1 123 12 12 GLU HA H 4.113 0.010 1 124 12 12 GLU HB3 H 2.142 0.015 2 125 12 12 GLU HB2 H 2.140 0.015 2 126 12 12 GLU HG3 H 2.386 0.010 2 127 12 12 GLU HG2 H 2.383 0.010 2 128 12 12 GLU N N 120.609 0.000 1 129 13 13 LEU C C 179.426 0.000 1 130 13 13 LEU CA C 58.058 0.000 1 131 13 13 LEU CB C 43.464 0.000 1 132 13 13 LEU CD1 C 22.847 0.000 2 133 13 13 LEU CD2 C 24.491 0.000 2 134 13 13 LEU CG C 27.350 0.000 1 135 13 13 LEU H H 8.631 0.006 1 136 13 13 LEU HA H 4.001 0.014 1 137 13 13 LEU HB3 H 1.238 0.014 2 138 13 13 LEU HB2 H 2.074 0.008 2 139 13 13 LEU HD1 H 0.825 0.008 2 140 13 13 LEU HD2 H 0.883 0.002 2 141 13 13 LEU HG H 1.899 0.007 1 142 13 13 LEU N N 120.593 0.000 1 143 14 14 LEU C C 179.683 0.000 1 144 14 14 LEU CA C 58.270 0.000 1 145 14 14 LEU CB C 42.045 0.000 1 146 14 14 LEU CD1 C 23.400 0.000 1 147 14 14 LEU CG C 26.450 0.000 1 148 14 14 LEU H H 8.993 0.007 1 149 14 14 LEU HA H 4.050 0.014 1 150 14 14 LEU HB3 H 1.885 0.005 2 151 14 14 LEU HB2 H 1.404 0.013 2 152 14 14 LEU HD1 H 0.810 0.017 2 153 14 14 LEU HD2 H 0.782 0.000 2 154 14 14 LEU HG H 1.778 0.011 1 155 14 14 LEU N N 121.828 0.000 1 156 15 15 SER C C 177.779 0.000 1 157 15 15 SER CA C 61.497 0.000 1 158 15 15 SER CB C 62.694 0.000 1 159 15 15 SER H H 7.803 0.014 1 160 15 15 SER HA H 4.130 0.000 1 161 15 15 SER HB3 H 3.982 0.000 1 162 15 15 SER HB2 H 3.982 0.000 1 163 15 15 SER N N 114.278 0.000 1 164 16 16 LYS C C 178.674 0.000 1 165 16 16 LYS CA C 59.921 0.000 1 166 16 16 LYS CB C 32.886 0.000 1 167 16 16 LYS CD C 27.900 0.000 1 168 16 16 LYS CE C 42.047 0.000 1 169 16 16 LYS CG C 27.807 0.000 1 170 16 16 LYS H H 8.344 0.007 1 171 16 16 LYS HA H 4.161 0.008 1 172 16 16 LYS HB3 H 1.724 0.006 2 173 16 16 LYS HB2 H 1.905 0.019 2 174 16 16 LYS HD3 H 1.766 0.016 2 175 16 16 LYS HD2 H 0.861 0.000 2 176 16 16 LYS HE3 H 2.993 0.012 1 177 16 16 LYS HE2 H 2.993 0.012 1 178 16 16 LYS HG3 H 1.430 0.004 2 179 16 16 LYS HG2 H 1.429 0.003 2 180 16 16 LYS N N 122.215 0.000 1 181 17 17 ASN C C 176.837 0.000 1 182 17 17 ASN CA C 57.473 0.000 1 183 17 17 ASN CB C 38.933 0.000 1 184 17 17 ASN H H 8.838 0.011 1 185 17 17 ASN HA H 4.359 0.006 1 186 17 17 ASN HB3 H 2.714 0.008 2 187 17 17 ASN HB2 H 3.252 0.009 2 188 17 17 ASN HD21 H 6.511 0.000 1 189 17 17 ASN HD22 H 7.629 0.000 1 190 17 17 ASN N N 119.450 0.000 1 191 17 17 ASN ND2 N 122.832 0.014 1 192 18 18 TYR C C 178.120 0.000 1 193 18 18 TYR CA C 60.886 0.067 1 194 18 18 TYR CB C 37.871 0.000 1 195 18 18 TYR H H 8.284 0.013 1 196 18 18 TYR HA H 4.363 0.014 1 197 18 18 TYR HB3 H 3.145 0.012 2 198 18 18 TYR HB2 H 3.232 0.013 2 199 18 18 TYR HD1 H 7.346 0.015 1 200 18 18 TYR HD2 H 7.346 0.015 1 201 18 18 TYR HE1 H 7.083 0.005 1 202 18 18 TYR HE2 H 7.083 0.005 1 203 18 18 TYR N N 120.068 0.000 1 204 19 19 HIS C C 177.940 0.000 1 205 19 19 HIS CA C 59.323 0.000 1 206 19 19 HIS CB C 28.106 0.000 1 207 19 19 HIS H H 7.987 0.015 1 208 19 19 HIS HA H 4.352 0.009 1 209 19 19 HIS HB3 H 3.445 0.021 1 210 19 19 HIS HD1 H 7.404 0.000 1 211 19 19 HIS HE1 H 8.287 0.000 1 212 19 19 HIS N N 116.680 0.000 1 213 20 20 LEU C C 178.627 0.000 1 214 20 20 LEU CA C 58.199 0.000 1 215 20 20 LEU CB C 43.578 0.000 1 216 20 20 LEU CD1 C 23.850 0.000 1 217 20 20 LEU CG C 27.397 0.000 1 218 20 20 LEU H H 8.683 0.018 1 219 20 20 LEU HA H 4.036 0.021 1 220 20 20 LEU HB3 H 1.257 0.016 1 221 20 20 LEU HB2 H 1.257 0.016 1 222 20 20 LEU HD1 H 0.840 0.011 2 223 20 20 LEU HD2 H 0.795 0.000 2 224 20 20 LEU HG H 2.055 0.011 1 225 20 20 LEU N N 120.891 0.000 1 226 21 21 GLU C C 179.736 0.000 1 227 21 21 GLU CA C 59.818 0.000 1 228 21 21 GLU CB C 28.434 0.000 1 229 21 21 GLU CG C 35.853 0.000 1 230 21 21 GLU H H 8.849 0.006 1 231 21 21 GLU HA H 4.005 0.012 1 232 21 21 GLU HB3 H 2.067 0.005 2 233 21 21 GLU HB2 H 2.160 0.007 2 234 21 21 GLU HG3 H 2.050 0.004 2 235 21 21 GLU HG2 H 2.446 0.012 2 236 21 21 GLU N N 119.035 0.000 1 237 22 22 ASN C C 177.580 0.000 1 238 22 22 ASN CA C 56.122 0.000 1 239 22 22 ASN CB C 38.256 0.000 1 240 22 22 ASN H H 7.791 0.020 1 241 22 22 ASN HA H 4.407 0.017 1 242 22 22 ASN HB3 H 2.792 0.015 2 243 22 22 ASN HB2 H 2.709 0.003 2 244 22 22 ASN HD21 H 7.344 0.000 1 245 22 22 ASN HD22 H 6.035 0.000 1 246 22 22 ASN N N 118.592 0.000 1 247 22 22 ASN ND2 N 111.069 0.014 1 248 23 23 GLU C C 178.162 0.000 1 249 23 23 GLU CA C 58.914 0.000 1 250 23 23 GLU CB C 29.494 0.000 1 251 23 23 GLU CG C 36.300 0.000 1 252 23 23 GLU H H 8.030 0.008 1 253 23 23 GLU HA H 4.344 0.008 1 254 23 23 GLU HB3 H 2.086 0.008 1 255 23 23 GLU HB2 H 2.086 0.008 1 256 23 23 GLU HG3 H 2.058 0.005 2 257 23 23 GLU HG2 H 2.055 0.003 2 258 23 23 GLU N N 122.907 0.000 1 259 24 24 VAL C C 177.070 0.000 1 260 24 24 VAL CA C 67.689 0.000 1 261 24 24 VAL CB C 31.766 0.000 1 262 24 24 VAL CG1 C 25.000 0.000 2 263 24 24 VAL CG2 C 21.547 0.000 2 264 24 24 VAL H H 8.652 0.009 1 265 24 24 VAL HA H 3.367 0.021 1 266 24 24 VAL HB H 2.036 0.020 1 267 24 24 VAL HG1 H 0.870 0.011 1 268 24 24 VAL HG2 H 0.870 0.011 1 269 24 24 VAL N N 119.655 0.000 1 270 25 25 ALA C C 180.359 0.000 1 271 25 25 ALA CA C 55.557 0.000 1 272 25 25 ALA CB C 18.123 0.000 1 273 25 25 ALA H H 7.766 0.009 1 274 25 25 ALA HA H 3.995 0.004 1 275 25 25 ALA HB H 1.441 0.006 1 276 25 25 ALA N N 119.643 0.000 1 277 26 26 ARG C C 179.147 0.000 1 278 26 26 ARG CA C 59.360 0.000 1 279 26 26 ARG CB C 30.715 0.000 1 280 26 26 ARG CG C 28.190 0.000 1 281 26 26 ARG H H 7.867 0.013 1 282 26 26 ARG HA H 3.985 0.006 1 283 26 26 ARG HB3 H 1.899 0.007 2 284 26 26 ARG HB2 H 1.622 0.007 2 285 26 26 ARG HD3 H 3.074 0.000 2 286 26 26 ARG HD2 H 3.531 0.000 2 287 26 26 ARG HG3 H 2.172 0.000 1 288 26 26 ARG HG2 H 2.172 0.000 1 289 26 26 ARG N N 118.786 0.000 1 290 27 27 LEU C C 178.931 0.000 1 291 27 27 LEU CA C 57.991 0.000 1 292 27 27 LEU CB C 43.867 0.000 1 293 27 27 LEU CD1 C 23.647 0.000 1 294 27 27 LEU CD2 C 23.647 0.000 1 295 27 27 LEU CG C 26.897 0.000 1 296 27 27 LEU H H 8.429 0.014 1 297 27 27 LEU HA H 3.989 0.022 1 298 27 27 LEU HB3 H 1.967 0.008 2 299 27 27 LEU HB2 H 1.243 0.007 2 300 27 27 LEU HD1 H 0.797 0.019 2 301 27 27 LEU HD2 H 0.789 0.019 2 302 27 27 LEU HG H 1.628 0.007 1 303 27 27 LEU N N 120.003 0.000 1 304 28 28 LYS C C 178.995 0.000 1 305 28 28 LYS CA C 60.721 0.000 1 306 28 28 LYS CB C 32.426 0.000 1 307 28 28 LYS CD C 29.547 0.000 1 308 28 28 LYS CE C 43.591 0.000 1 309 28 28 LYS CG C 27.100 0.000 1 310 28 28 LYS H H 8.898 0.012 1 311 28 28 LYS HA H 3.810 0.004 1 312 28 28 LYS HB3 H 1.902 0.013 2 313 28 28 LYS HB2 H 1.637 0.018 2 314 28 28 LYS HD3 H 1.698 0.000 1 315 28 28 LYS HD2 H 0.868 0.000 1 316 28 28 LYS HE3 H 3.161 0.009 1 317 28 28 LYS HE2 H 3.161 0.009 1 318 28 28 LYS HG3 H 1.240 0.009 2 319 28 28 LYS HG2 H 1.712 0.006 2 320 28 28 LYS N N 118.039 0.000 1 321 29 29 LYS C C 178.964 0.000 1 322 29 29 LYS CA C 58.595 0.000 1 323 29 29 LYS CB C 32.331 0.000 1 324 29 29 LYS CD C 28.453 0.000 1 325 29 29 LYS CE C 41.747 0.000 1 326 29 29 LYS CG C 24.700 0.000 1 327 29 29 LYS H H 7.279 0.010 1 328 29 29 LYS HA H 4.169 0.009 1 329 29 29 LYS HB3 H 1.932 0.019 2 330 29 29 LYS HB2 H 1.709 0.011 2 331 29 29 LYS HD3 H 0.884 0.000 2 332 29 29 LYS HD2 H 1.668 0.006 2 333 29 29 LYS HE3 H 2.892 0.000 2 334 29 29 LYS HE2 H 2.955 0.000 2 335 29 29 LYS HG3 H 1.429 0.005 2 336 29 29 LYS HG2 H 1.426 0.002 2 337 29 29 LYS N N 116.795 0.000 1 338 30 30 LEU C C 178.720 0.000 1 339 30 30 LEU CA C 57.009 0.000 1 340 30 30 LEU CB C 42.698 0.000 1 341 30 30 LEU CD1 C 23.394 0.000 2 342 30 30 LEU CD2 C 25.447 0.000 2 343 30 30 LEU CG C 25.000 0.000 1 344 30 30 LEU H H 7.520 0.001 1 345 30 30 LEU HA H 4.171 0.006 1 346 30 30 LEU HB3 H 1.629 0.011 2 347 30 30 LEU HB2 H 1.969 0.018 2 348 30 30 LEU HD1 H 0.820 0.006 2 349 30 30 LEU HD2 H 0.869 0.000 2 350 30 30 LEU HG H 2.063 0.005 1 351 30 30 LEU N N 118.537 0.000 1 352 31 31 VAL C C 176.437 0.000 1 353 31 31 VAL CA C 62.437 0.000 1 354 31 31 VAL CB C 32.381 0.000 1 355 31 31 VAL CG1 C 22.491 0.000 1 356 31 31 VAL H H 7.657 0.017 1 357 31 31 VAL HA H 4.184 0.004 1 358 31 31 VAL HB H 2.254 0.007 1 359 31 31 VAL HG1 H 0.869 0.006 1 360 31 31 VAL N N 113.227 0.000 1 361 32 32 GLY C C 174.015 0.000 1 362 32 32 GLY CA C 46.142 0.000 1 363 32 32 GLY H H 7.842 0.013 1 364 32 32 GLY HA3 H 4.123 0.019 2 365 32 32 GLY HA2 H 3.896 0.007 2 366 32 32 GLY N N 109.411 0.000 1 367 33 33 GLU CA C 56.628 0.000 1 368 33 33 GLU CB C 30.702 0.000 1 369 33 33 GLU H H 7.894 0.014 1 370 33 33 GLU HA H 4.211 0.000 1 371 33 33 GLU HB3 H 2.260 0.005 1 372 33 33 GLU N N 124.253 0.000 1 stop_ save_