data_15987 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of plasmid copy control protein ORF56 from sulfolobus islandicus ; _BMRB_accession_number 15987 _BMRB_flat_file_name bmr15987.str _Entry_type original _Submission_date 2008-10-15 _Accession_date 2008-10-15 _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 Weininger Ulrich . . 2 Balbach Jochen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 361 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2009-11-12 update BMRB 'complete entry citation' 2009-10-16 original author 'original release' stop_ _Original_release_date 2008-10-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure-based stability analysis of an extremely stable dimeric DNA binding protein from Sulfolobus islandicus. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19788170 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weininger Ulrich . . 2 Zeeb Markus . . 3 Neumann Piotr . . 4 Low Christian . . 5 Stubbs Milton T. . 6 Lipps Georg . . 7 Balbach Jochen . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 48 _Journal_issue 42 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10030 _Page_last 10037 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ORF56 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'METHIONINE, chain 1' $entity_2 'METHIONINE, chain 2' $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ORF56 _Molecular_mass 149.207 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; GRPYKLLNGIKLGVYIPQEW HDRLMEIAKEKNLTLSDVCR LAIKEYLDNHDKQKK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ARG 3 PRO 4 TYR 5 LYS 6 LEU 7 LEU 8 ASN 9 GLY 10 ILE 11 LYS 12 LEU 13 GLY 14 VAL 15 TYR 16 ILE 17 PRO 18 GLN 19 GLU 20 TRP 21 HIS 22 ASP 23 ARG 24 LEU 25 MET 26 GLU 27 ILE 28 ALA 29 LYS 30 GLU 31 LYS 32 ASN 33 LEU 34 THR 35 LEU 36 SER 37 ASP 38 VAL 39 CYS 40 ARG 41 LEU 42 ALA 43 ILE 44 LYS 45 GLU 46 TYR 47 LEU 48 ASP 49 ASN 50 HIS 51 ASP 52 LYS 53 GLN 54 LYS 55 LYS 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 _Details $entity_2 'Sulfolobus islandicus' 43080 Archaea . Sulfolobus islandicus 'plasmid pRN1' 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_2 'recombinant technology' 'E. coli' Escherichia coli BL21 pET28c stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1 mM '[U-13C; U-15N]' $entity_2 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 400 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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' 0.05 . M pH 5.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'METHIONINE, 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 2 1 GLY HA2 H 3.880 0.010 . 2 2 1 GLY HA3 H 3.880 0.010 . 3 3 2 ARG H H 8.676 0.010 1 4 3 2 ARG HA H 4.608 0.010 1 5 3 2 ARG HB2 H 1.763 0.010 . 6 3 2 ARG HB3 H 1.763 0.010 . 7 3 2 ARG HD2 H 3.165 0.010 . 8 3 2 ARG HD3 H 3.165 0.010 . 9 3 2 ARG HE H 7.282 0.010 1 10 3 2 ARG HG2 H 1.656 0.010 . 11 3 2 ARG HG3 H 1.656 0.010 . 12 4 3 PRO HA H 4.419 0.010 1 13 4 3 PRO HB2 H 1.815 0.010 2 14 4 3 PRO HB3 H 2.243 0.010 2 15 4 3 PRO HD2 H 3.598 0.010 2 16 4 3 PRO HD3 H 3.809 0.010 2 17 4 3 PRO HG2 H 2.003 0.010 . 18 4 3 PRO HG3 H 2.003 0.010 . 19 5 4 TYR H H 8.180 0.010 1 20 5 4 TYR HA H 4.449 0.010 1 21 5 4 TYR HB2 H 2.949 0.010 . 22 5 4 TYR HB3 H 2.949 0.010 . 23 5 4 TYR HD1 H 7.064 0.010 . 24 5 4 TYR HD2 H 7.064 0.010 . 25 5 4 TYR HE1 H 6.773 0.010 . 26 5 4 TYR HE2 H 6.773 0.010 . 27 6 5 LYS H H 8.129 0.010 1 28 6 5 LYS HA H 4.135 0.010 1 29 6 5 LYS HB2 H 1.620 0.010 . 30 6 5 LYS HB3 H 1.620 0.010 . 31 6 5 LYS HD2 H 1.600 0.010 . 32 6 5 LYS HD3 H 1.600 0.010 . 33 6 5 LYS HE2 H 2.936 0.010 . 34 6 5 LYS HE3 H 2.936 0.010 . 35 6 5 LYS HG2 H 1.258 0.010 . 36 6 5 LYS HG3 H 1.258 0.010 . 37 7 6 LEU H H 7.959 0.010 1 38 7 6 LEU HA H 4.200 0.010 1 39 7 6 LEU HB2 H 1.428 0.010 . 40 7 6 LEU HB3 H 1.428 0.010 . 41 7 6 LEU HD1 H 0.755 0.010 . 42 7 6 LEU HD2 H 0.695 0.010 . 43 7 6 LEU HG H 1.377 0.010 1 44 8 7 LEU H H 8.116 0.010 1 45 8 7 LEU HA H 4.177 0.010 1 46 8 7 LEU HB2 H 1.530 0.010 . 47 8 7 LEU HB3 H 1.530 0.010 . 48 8 7 LEU HD1 H 0.816 0.010 . 49 8 7 LEU HD2 H 0.755 0.010 . 50 8 7 LEU HG H 1.530 0.010 1 51 9 8 ASN H H 8.390 0.010 1 52 9 8 ASN HA H 4.562 0.010 1 53 9 8 ASN HB2 H 2.689 0.010 2 54 9 8 ASN HB3 H 2.689 0.010 2 55 9 8 ASN HD21 H 7.525 0.010 2 56 9 8 ASN HD22 H 6.817 0.010 2 57 10 9 GLY H H 7.889 0.010 1 58 10 9 GLY HA2 H 3.608 0.010 2 59 10 9 GLY HA3 H 4.077 0.010 2 60 11 10 ILE H H 8.883 0.010 1 61 11 10 ILE HA H 4.404 0.010 1 62 11 10 ILE HB H 1.597 0.010 1 63 11 10 ILE HD1 H 0.533 0.010 . 64 11 10 ILE HG12 H 0.954 0.010 2 65 11 10 ILE HG13 H 1.258 0.010 2 66 11 10 ILE HG2 H 0.557 0.010 . 67 12 11 LYS H H 8.432 0.010 1 68 12 11 LYS HA H 3.920 0.010 1 69 12 11 LYS HB2 H 1.197 0.010 2 70 12 11 LYS HB3 H 1.521 0.010 2 71 12 11 LYS HD2 H 1.428 0.010 . 72 12 11 LYS HD3 H 1.428 0.010 . 73 12 11 LYS HG2 H 1.375 0.010 . 74 12 11 LYS HG3 H 1.375 0.010 . 75 13 12 LEU H H 8.896 0.010 1 76 13 12 LEU HA H 4.500 0.010 1 77 13 12 LEU HB2 H 1.652 0.010 2 78 13 12 LEU HB3 H 1.515 0.010 2 79 13 12 LEU HD1 H 0.850 0.010 . 80 13 12 LEU HD2 H 0.816 0.010 . 81 13 12 LEU HG H 1.592 0.010 1 82 14 13 GLY H H 8.545 0.010 1 83 14 13 GLY HA2 H 3.323 0.010 2 84 14 13 GLY HA3 H 4.918 0.010 2 85 15 14 VAL H H 8.419 0.010 1 86 15 14 VAL HA H 4.369 0.010 1 87 15 14 VAL HB H 1.944 0.010 1 88 15 14 VAL HG1 H 0.889 0.010 . 89 15 14 VAL HG2 H 0.842 0.010 . 90 16 15 TYR H H 8.680 0.010 1 91 16 15 TYR HA H 4.963 0.010 1 92 16 15 TYR HB2 H 2.572 0.010 2 93 16 15 TYR HB3 H 2.770 0.010 2 94 16 15 TYR HD1 H 6.876 0.010 . 95 16 15 TYR HD2 H 6.876 0.010 . 96 16 15 TYR HE1 H 6.678 0.010 . 97 16 15 TYR HE2 H 6.678 0.010 . 98 17 16 ILE H H 8.794 0.010 1 99 17 16 ILE HA H 4.670 0.010 1 100 17 16 ILE HB H 1.944 0.010 1 101 17 16 ILE HD1 H 0.863 0.010 . 102 17 16 ILE HG12 H 1.148 0.010 2 103 17 16 ILE HG13 H 1.575 0.010 2 104 17 16 ILE HG2 H 1.015 0.010 . 105 18 17 PRO HA H 4.356 0.010 1 106 18 17 PRO HB2 H 1.227 0.010 2 107 18 17 PRO HB3 H 1.950 0.010 2 108 18 17 PRO HD2 H 2.225 0.010 2 109 18 17 PRO HD3 H 2.820 0.010 2 110 18 17 PRO HG2 H 0.504 0.010 2 111 18 17 PRO HG3 H 1.227 0.010 2 112 19 18 GLN H H 9.107 0.010 1 113 19 18 GLN HA H 3.772 0.010 1 114 19 18 GLN HB2 H 2.027 0.010 2 115 19 18 GLN HB3 H 2.199 0.010 2 116 19 18 GLN HE21 H 7.759 0.010 2 117 19 18 GLN HE22 H 6.715 0.010 2 118 19 18 GLN HG2 H 2.365 0.010 2 119 19 18 GLN HG3 H 2.404 0.010 2 120 20 19 GLU H H 9.483 0.010 1 121 20 19 GLU HA H 4.244 0.010 1 122 20 19 GLU HB2 H 2.122 0.010 . 123 20 19 GLU HB3 H 2.122 0.010 . 124 20 19 GLU HG2 H 2.205 0.010 . 125 20 19 GLU HG3 H 2.205 0.010 . 126 21 20 TRP H H 7.250 0.010 1 127 21 20 TRP HA H 4.608 0.010 1 128 21 20 TRP HB2 H 3.098 0.010 2 129 21 20 TRP HB3 H 3.455 0.010 2 130 21 20 TRP HD1 H 7.146 0.010 1 131 21 20 TRP HE1 H 10.401 0.010 1 132 21 20 TRP HE3 H 7.530 0.010 1 133 21 20 TRP HH2 H 7.250 0.010 1 134 21 20 TRP HZ2 H 7.530 0.010 1 135 21 20 TRP HZ3 H 7.083 0.010 1 136 22 21 HIS H H 8.005 0.010 1 137 22 21 HIS HA H 3.887 0.010 1 138 22 21 HIS HB2 H 2.946 0.010 2 139 22 21 HIS HB3 H 3.785 0.010 2 140 22 21 HIS HD2 H 6.900 0.010 1 141 22 21 HIS HE1 H 7.937 0.010 1 142 23 22 ASP H H 8.843 0.010 1 143 23 22 ASP HA H 4.364 0.010 1 144 23 22 ASP HB2 H 2.861 0.010 2 145 23 22 ASP HB3 H 2.881 0.010 2 146 24 23 ARG H H 7.746 0.010 1 147 24 23 ARG HA H 4.203 0.010 1 148 24 23 ARG HB2 H 2.002 0.010 . 149 24 23 ARG HB3 H 2.002 0.010 . 150 24 23 ARG HD2 H 3.138 0.010 2 151 24 23 ARG HD3 H 3.406 0.010 2 152 24 23 ARG HE H 7.753 0.010 1 153 24 23 ARG HG2 H 1.931 0.010 . 154 24 23 ARG HG3 H 1.931 0.010 . 155 25 24 LEU H H 8.474 0.010 1 156 25 24 LEU HA H 3.940 0.010 1 157 25 24 LEU HB2 H 1.197 0.010 2 158 25 24 LEU HB3 H 1.905 0.010 2 159 25 24 LEU HD1 H 0.887 0.010 . 160 25 24 LEU HD2 H 0.695 0.010 . 161 25 24 LEU HG H 0.882 0.010 1 162 26 25 MET H H 8.044 0.010 1 163 26 25 MET HA H 4.205 0.010 1 164 26 25 MET HB2 H 2.122 0.010 2 165 26 25 MET HB3 H 2.204 0.010 2 166 26 25 MET HE H 2.092 0.010 . 167 26 25 MET HG2 H 2.318 0.010 2 168 26 25 MET HG3 H 2.531 0.010 2 169 27 26 GLU H H 7.709 0.010 1 170 27 26 GLU HA H 4.139 0.010 1 171 27 26 GLU HB2 H 2.200 0.010 2 172 27 26 GLU HB3 H 2.308 0.010 2 173 27 26 GLU HG2 H 2.500 0.010 . 174 27 26 GLU HG3 H 2.500 0.010 . 175 28 27 ILE H H 7.828 0.010 1 176 28 27 ILE HA H 3.666 0.010 1 177 28 27 ILE HB H 1.855 0.010 1 178 28 27 ILE HD1 H 0.708 0.010 . 179 28 27 ILE HG12 H 0.882 0.010 2 180 28 27 ILE HG13 H 1.530 0.010 2 181 28 27 ILE HG2 H 0.794 0.010 . 182 29 28 ALA H H 8.459 0.010 1 183 29 28 ALA HA H 3.610 0.010 1 184 29 28 ALA HB H 1.379 0.010 . 185 30 29 LYS H H 8.015 0.010 1 186 30 29 LYS HA H 4.144 0.010 1 187 30 29 LYS HB2 H 1.456 0.010 2 188 30 29 LYS HB3 H 1.995 0.010 2 189 30 29 LYS HD2 H 1.737 0.010 . 190 30 29 LYS HD3 H 1.737 0.010 . 191 30 29 LYS HE2 H 3.004 0.010 . 192 30 29 LYS HE3 H 3.004 0.010 . 193 30 29 LYS HG2 H 1.600 0.010 . 194 30 29 LYS HG3 H 1.600 0.010 . 195 30 29 LYS HZ H 8.006 0.010 . 196 31 30 GLU H H 8.096 0.010 1 197 31 30 GLU HA H 4.064 0.010 1 198 31 30 GLU HB2 H 2.210 0.010 2 199 31 30 GLU HB3 H 2.308 0.010 2 200 31 30 GLU HG2 H 2.531 0.010 . 201 31 30 GLU HG3 H 2.531 0.010 . 202 32 31 LYS H H 8.033 0.010 1 203 32 31 LYS HA H 4.313 0.010 1 204 32 31 LYS HB2 H 1.502 0.010 2 205 32 31 LYS HB3 H 1.999 0.010 2 206 32 31 LYS HD2 H 1.609 0.010 . 207 32 31 LYS HD3 H 1.609 0.010 . 208 32 31 LYS HG2 H 1.502 0.010 . 209 32 31 LYS HG3 H 1.502 0.010 . 210 33 32 ASN H H 7.959 0.010 1 211 33 32 ASN HA H 4.419 0.010 1 212 33 32 ASN HB2 H 2.786 0.010 2 213 33 32 ASN HB3 H 3.195 0.010 2 214 33 32 ASN HD21 H 7.533 0.010 2 215 33 32 ASN HD22 H 6.842 0.010 2 216 34 33 LEU H H 8.538 0.010 1 217 34 33 LEU HA H 4.925 0.010 1 218 34 33 LEU HB2 H 1.340 0.010 2 219 34 33 LEU HB3 H 1.944 0.010 2 220 34 33 LEU HD1 H 0.963 0.010 . 221 34 33 LEU HD2 H 0.783 0.010 . 222 34 33 LEU HG H 1.630 0.010 1 223 35 34 THR H H 8.656 0.010 1 224 35 34 THR HA H 4.608 0.010 1 225 35 34 THR HB H 4.760 0.010 1 226 35 34 THR HG2 H 1.319 0.010 . 227 36 35 LEU H H 9.000 0.010 1 228 36 35 LEU HA H 3.908 0.010 1 229 36 35 LEU HB2 H 1.772 0.010 2 230 36 35 LEU HB3 H 1.860 0.010 2 231 36 35 LEU HD1 H 0.876 0.010 . 232 36 35 LEU HD2 H 0.708 0.010 . 233 36 35 LEU HG H 1.530 0.010 1 234 37 36 SER H H 8.656 0.010 1 235 37 36 SER HA H 4.059 0.010 1 236 37 36 SER HB2 H 3.870 0.010 . 237 37 36 SER HB3 H 3.870 0.010 . 238 38 37 ASP H H 7.984 0.010 1 239 38 37 ASP HA H 4.355 0.010 1 240 38 37 ASP HB2 H 2.688 0.010 2 241 38 37 ASP HB3 H 3.298 0.010 2 242 39 38 VAL H H 8.015 0.010 1 243 39 38 VAL HA H 3.576 0.010 1 244 39 38 VAL HB H 2.158 0.010 1 245 39 38 VAL HG1 H 0.990 0.010 . 246 39 38 VAL HG2 H 0.908 0.010 . 247 40 39 CYS H H 8.260 0.010 . 248 40 39 CYS HA H 3.777 0.010 . 249 40 39 CYS HB2 H 2.460 0.010 . 250 40 39 CYS HB3 H 3.117 0.010 . 251 41 40 ARG H H 8.206 0.010 1 252 41 40 ARG HA H 4.008 0.010 1 253 41 40 ARG HB2 H 1.777 0.010 2 254 41 40 ARG HB3 H 1.995 0.010 2 255 41 40 ARG HD2 H 3.295 0.010 2 256 41 40 ARG HD3 H 3.566 0.010 2 257 41 40 ARG HE H 7.700 0.010 1 258 41 40 ARG HG2 H 2.165 0.010 . 259 41 40 ARG HG3 H 2.165 0.010 . 260 42 41 LEU H H 7.822 0.010 1 261 42 41 LEU HA H 4.036 0.010 1 262 42 41 LEU HB2 H 1.403 0.010 2 263 42 41 LEU HB3 H 1.851 0.010 2 264 42 41 LEU HD1 H 0.933 0.010 . 265 42 41 LEU HD2 H 0.887 0.010 . 266 42 41 LEU HG H 1.790 0.010 1 267 43 42 ALA H H 7.741 0.010 1 268 43 42 ALA HA H 3.699 0.010 1 269 43 42 ALA HB H 1.011 0.010 . 270 44 43 ILE H H 8.043 0.010 1 271 44 43 ILE HA H 3.423 0.010 1 272 44 43 ILE HB H 2.018 0.010 1 273 44 43 ILE HD1 H 0.765 0.010 . 274 44 43 ILE HG12 H 1.092 0.010 2 275 44 43 ILE HG13 H 1.688 0.010 2 276 44 43 ILE HG2 H 0.886 0.010 . 277 45 44 LYS H H 8.432 0.010 1 278 45 44 LYS HA H 3.014 0.010 1 279 45 44 LYS HB2 H 1.542 0.010 2 280 45 44 LYS HB3 H 1.768 0.010 2 281 45 44 LYS HD2 H 1.602 0.010 . 282 45 44 LYS HD3 H 1.602 0.010 . 283 45 44 LYS HE2 H 2.923 0.010 . 284 45 44 LYS HE3 H 2.923 0.010 . 285 45 44 LYS HG2 H 1.240 0.010 . 286 45 44 LYS HG3 H 1.240 0.010 . 287 46 45 GLU H H 8.370 0.010 1 288 46 45 GLU HA H 4.002 0.010 1 289 46 45 GLU HB2 H 2.165 0.010 . 290 46 45 GLU HB3 H 2.165 0.010 . 291 46 45 GLU HG2 H 2.455 0.010 2 292 46 45 GLU HG3 H 2.720 0.010 2 293 47 46 TYR H H 7.703 0.010 1 294 47 46 TYR HA H 4.308 0.010 1 295 47 46 TYR HB2 H 3.068 0.010 2 296 47 46 TYR HB3 H 3.298 0.010 2 297 47 46 TYR HD1 H 6.788 0.010 . 298 47 46 TYR HD2 H 6.788 0.010 . 299 47 46 TYR HE1 H 6.437 0.010 . 300 47 46 TYR HE2 H 6.437 0.010 . 301 48 47 LEU H H 8.432 0.010 1 302 48 47 LEU HA H 3.709 0.010 1 303 48 47 LEU HB2 H 1.247 0.010 2 304 48 47 LEU HB3 H 1.698 0.010 2 305 48 47 LEU HD1 H 0.701 0.010 . 306 48 47 LEU HD2 H 0.346 0.010 . 307 48 47 LEU HG H 1.745 0.010 1 308 49 48 ASP H H 8.530 0.010 1 309 49 48 ASP HA H 4.255 0.010 1 310 49 48 ASP HB2 H 2.588 0.010 2 311 49 48 ASP HB3 H 2.720 0.010 2 312 50 49 ASN H H 7.934 0.010 1 313 50 49 ASN HA H 4.482 0.010 1 314 50 49 ASN HB2 H 2.450 0.010 2 315 50 49 ASN HB3 H 2.660 0.010 2 316 50 49 ASN HD21 H 7.635 0.010 2 317 50 49 ASN HD22 H 6.910 0.010 2 318 51 50 HIS H H 7.830 0.010 1 319 51 50 HIS HA H 4.424 0.010 1 320 51 50 HIS HB2 H 2.514 0.010 2 321 51 50 HIS HB3 H 3.156 0.010 2 322 51 50 HIS HD2 H 6.856 0.010 1 323 51 50 HIS HE1 H 7.830 0.010 1 324 52 51 ASP H H 8.052 0.010 1 325 52 51 ASP HA H 4.680 0.010 1 326 52 51 ASP HB2 H 2.688 0.010 2 327 52 51 ASP HB3 H 2.840 0.010 2 328 53 52 LYS H H 8.069 0.010 1 329 53 52 LYS HA H 4.220 0.010 1 330 53 52 LYS HB2 H 1.775 0.010 2 331 53 52 LYS HB3 H 1.820 0.010 2 332 53 52 LYS HD2 H 1.665 0.010 . 333 53 52 LYS HD3 H 1.665 0.010 . 334 53 52 LYS HE2 H 2.867 0.010 . 335 53 52 LYS HE3 H 2.867 0.010 . 336 53 52 LYS HG2 H 1.375 0.010 . 337 53 52 LYS HG3 H 1.375 0.010 . 338 54 53 GLN H H 8.246 0.010 1 339 54 53 GLN HA H 4.257 0.010 1 340 54 53 GLN HB2 H 1.958 0.010 2 341 54 53 GLN HB3 H 2.080 0.010 2 342 54 53 GLN HE21 H 7.537 0.010 2 343 54 53 GLN HE22 H 6.860 0.010 2 344 54 53 GLN HG2 H 2.336 0.010 . 345 54 53 GLN HG3 H 2.336 0.010 . 346 55 54 LYS H H 8.200 0.010 1 347 55 54 LYS HA H 4.266 0.010 1 348 55 54 LYS HB2 H 1.730 0.010 2 349 55 54 LYS HB3 H 1.830 0.010 2 350 55 54 LYS HD2 H 1.608 0.010 . 351 55 54 LYS HD3 H 1.608 0.010 . 352 55 54 LYS HE2 H 2.974 0.010 . 353 55 54 LYS HE3 H 2.974 0.010 . 354 55 54 LYS HG2 H 1.409 0.010 . 355 55 54 LYS HG3 H 1.409 0.010 . 356 56 55 LYS H H 8.018 0.010 1 357 56 55 LYS HA H 4.156 0.010 1 358 56 55 LYS HB2 H 1.699 0.010 2 359 56 55 LYS HB3 H 1.813 0.010 2 360 56 55 LYS HG2 H 1.380 0.010 . 361 56 55 LYS HG3 H 1.380 0.010 . stop_ save_