data_25570 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the C-terminal membrane domain of HCV NS5B protein ; _BMRB_accession_number 25570 _BMRB_flat_file_name bmr25570.str _Entry_type original _Submission_date 2015-04-15 _Accession_date 2015-04-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Structure of the C-terminal membrane domain of HCV NS5B protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Montserret Roland . . 2 Penin Francois . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 170 "13C chemical shifts" 102 "15N chemical shifts" 24 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-18 original BMRB . stop_ _Original_release_date 2016-04-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the C-terminal membrane domain of HCV NS5B protein ; _Citation_status 'in preparation' _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 Montserret Roland . . 2 Penin Francois . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ns5bc _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ns5bc $ns5bc 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_ns5bc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 3483.139 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; HSVSHARPRWFWFSLLLLAA GVGIYLLPNR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 SER 3 3 VAL 4 4 SER 5 5 HIS 6 6 ALA 7 7 ARG 8 8 PRO 9 9 ARG 10 10 TRP 11 11 PHE 12 12 TRP 13 13 PHE 14 14 SER 15 15 LEU 16 16 LEU 17 17 LEU 18 18 LEU 19 19 ALA 20 20 ALA 21 21 GLY 22 22 VAL 23 23 GLY 24 24 ILE 25 25 TYR 26 26 LEU 27 27 LEU 28 28 PRO 29 29 ASN 30 30 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB AF009606 . . . . . . UNP P27958 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Details $ns5bc . 31646 Viruses . Hepacivirus 'Hepatitis C virus' 'genotype 1a' 'accession number SwissProt/Uniprot AF009606' 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 $ns5bc 'chemical synthesis' . . . . . 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 $ns5bc 1.4 mM 'natural abundance' SDS 1 M [U-2H] H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.34 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 1000 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H 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 pressure 1 . atm temperature 298 0.2 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' 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 ns5bc _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 HIS HA H 4.261 0.01 1 2 1 1 HIS HB2 H 3.246 0.005 1 3 1 1 HIS HB3 H 3.246 0.005 1 4 1 1 HIS HD2 H 7.368 0.01 1 5 1 1 HIS HE1 H 8.618 0.01 1 6 1 1 HIS CA C 55.309 0.1 1 7 1 1 HIS CB C 29.192 0.1 1 8 1 1 HIS CD2 C 122.325 0.1 1 9 1 1 HIS CE1 C 138.095 0.1 1 10 2 2 SER H H 8.406 0.001 1 11 2 2 SER HA H 4.552 0.001 1 12 2 2 SER HB2 H 3.706 0.01 2 13 2 2 SER HB3 H 3.672 0.01 2 14 2 2 SER CA C 58.308 0.1 1 15 2 2 SER CB C 64.680 0.008 1 16 2 2 SER N N 118.292 0.1 1 17 3 3 VAL H H 8.049 0.003 1 18 3 3 VAL HA H 4.171 0.001 1 19 3 3 VAL HB H 2.037 0.002 1 20 3 3 VAL HG1 H 0.790 0.01 1 21 3 3 VAL HG2 H 0.766 0.01 1 22 3 3 VAL CA C 62.309 0.1 1 23 3 3 VAL CB C 33.033 0.1 1 24 3 3 VAL CG1 C 21.744 0.1 2 25 3 3 VAL CG2 C 20.639 0.1 2 26 3 3 VAL N N 120.313 0.1 1 27 4 4 SER H H 8.172 0.001 1 28 4 4 SER HA H 4.228 0.002 1 29 4 4 SER HB2 H 3.742 0.001 2 30 4 4 SER HB3 H 3.671 0.01 2 31 4 4 SER CA C 59.230 0.1 1 32 4 4 SER CB C 64.237 0.007 1 33 4 4 SER N N 118.475 0.1 1 34 5 5 HIS H H 8.074 0.003 1 35 5 5 HIS HA H 4.595 0.001 1 36 5 5 HIS HB2 H 3.213 0.001 2 37 5 5 HIS HB3 H 3.037 0.001 2 38 5 5 HIS HD2 H 7.177 0.01 1 39 5 5 HIS HE1 H 8.410 0.01 1 40 5 5 HIS CA C 55.502 0.1 1 41 5 5 HIS CB C 28.866 0.003 1 42 5 5 HIS CD2 C 120.751 0.1 1 43 5 5 HIS CE1 C 136.729 0.1 1 44 5 5 HIS N N 119.435 0.1 1 45 6 6 ALA H H 8.141 0.004 1 46 6 6 ALA HA H 4.250 0.001 1 47 6 6 ALA HB H 1.232 0.002 1 48 6 6 ALA CA C 53.201 0.1 1 49 6 6 ALA CB C 19.496 0.1 1 50 6 6 ALA N N 123.886 0.1 1 51 7 7 ARG H H 8.005 0.005 1 52 7 7 ARG HA H 4.299 0.002 1 53 7 7 ARG HB2 H 1.816 0.002 2 54 7 7 ARG HB3 H 1.692 0.01 2 55 7 7 ARG HD2 H 3.051 0.01 1 56 7 7 ARG HD3 H 3.051 0.01 1 57 7 7 ARG HE H 6.960 0.01 1 58 7 7 ARG CA C 55.179 0.1 1 59 7 7 ARG CB C 31.075 0.012 1 60 7 7 ARG CD C 43.855 0.1 1 61 7 7 ARG N N 115.319 0.1 1 62 8 8 PRO HA H 4.271 0.001 1 63 8 8 PRO HB2 H 2.139 0.01 2 64 8 8 PRO HB3 H 1.729 0.01 2 65 8 8 PRO HG2 H 1.900 0.01 1 66 8 8 PRO HG3 H 1.900 0.01 1 67 8 8 PRO HD2 H 3.470 0.010 1 68 8 8 PRO HD3 H 3.470 0.010 1 69 8 8 PRO CA C 64.761 0.1 1 70 8 8 PRO CB C 31.878 0.037 1 71 8 8 PRO CG C 27.984 0.1 1 72 8 8 PRO CD C 51.183 0.1 1 73 9 9 ARG H H 8.418 0.003 1 74 9 9 ARG HA H 3.978 0.001 1 75 9 9 ARG HB2 H 1.913 0.008 2 76 9 9 ARG HB3 H 1.805 0.001 2 77 9 9 ARG HG2 H 1.706 0.01 2 78 9 9 ARG HG3 H 1.530 0.01 2 79 9 9 ARG HD2 H 3.123 0.01 1 80 9 9 ARG HD3 H 3.123 0.01 1 81 9 9 ARG HE H 7.010 0.01 1 82 9 9 ARG CA C 60.525 0.1 1 83 9 9 ARG CB C 30.217 0.1 1 84 9 9 ARG CD C 44.339 0.1 1 85 10 10 TRP H H 7.449 0.004 1 86 10 10 TRP HA H 4.275 0.002 1 87 10 10 TRP HB2 H 3.301 0.061 2 88 10 10 TRP HE3 H 7.218 0.01 1 89 10 10 TRP HZ2 H 7.369 0.01 1 90 10 10 TRP HZ3 H 6.853 0.01 1 91 10 10 TRP HH2 H 6.982 0.01 1 92 10 10 TRP CA C 59.269 0.1 1 93 10 10 TRP CE3 C 121.292 0.1 1 94 10 10 TRP CZ2 C 115.019 0.1 1 95 10 10 TRP CZ3 C 121.554 0.1 1 96 10 10 TRP CH2 C 124.534 0.1 1 97 10 10 TRP N N 112.718 0.1 1 98 11 11 PHE HB2 H 2.842 0.01 2 99 11 11 PHE HB3 H 2.795 0.01 2 100 11 11 PHE CB C 38.444 0.1 1 101 12 12 TRP HA H 4.269 0.002 1 102 12 12 TRP HB2 H 3.160 0.001 2 103 12 12 TRP HB3 H 2.936 0.001 2 104 12 12 TRP HE3 H 7.343 0.01 1 105 12 12 TRP HZ2 H 7.427 0.01 1 106 12 12 TRP HZ3 H 6.805 0.01 1 107 12 12 TRP HH2 H 7.054 0.01 1 108 12 12 TRP CE3 C 121.184 0.1 1 109 12 12 TRP CZ2 C 115.344 0.1 1 110 12 12 TRP CZ3 C 121.633 0.1 1 111 12 12 TRP CH2 C 124.740 0.1 1 112 13 13 PHE H H 7.954 0.027 1 113 13 13 PHE HA H 4.205 0.003 1 114 13 13 PHE HB2 H 3.045 0.002 1 115 13 13 PHE HB3 H 3.045 0.002 1 116 13 13 PHE HD1 H 7.065 0.01 1 117 13 13 PHE HD2 H 7.065 0.01 1 118 13 13 PHE CA C 61.211 0.1 1 119 13 13 PHE CB C 39.699 0.1 1 120 13 13 PHE CD1 C 131.359 0.1 1 121 13 13 PHE CD2 C 131.359 0.1 1 122 13 13 PHE N N 121.217 0.1 1 123 14 14 SER H H 7.990 0.020 1 124 14 14 SER HA H 3.882 0.005 1 125 14 14 SER HB2 H 3.692 0.001 1 126 14 14 SER HB3 H 3.692 0.001 1 127 14 14 SER CA C 63.844 0.1 1 128 14 14 SER CB C 63.332 0.1 1 129 14 14 SER N N 119.689 0.1 1 130 15 15 LEU H H 7.356 0.002 1 131 15 15 LEU HA H 3.769 0.003 1 132 15 15 LEU HB2 H 1.527 0.003 2 133 15 15 LEU HB3 H 1.333 0.003 2 134 15 15 LEU HG H 1.324 0.01 1 135 15 15 LEU HD1 H 0.560 0.01 1 136 15 15 LEU HD2 H 0.532 0.01 1 137 15 15 LEU CA C 58.314 0.1 1 138 15 15 LEU CB C 41.922 0.1 1 139 15 15 LEU CG C 26.997 0.1 1 140 15 15 LEU CD1 C 24.043 0.1 2 141 15 15 LEU CD2 C 25.807 0.1 2 142 15 15 LEU N N 120.731 0.1 1 143 16 16 LEU H H 7.596 0.005 1 144 16 16 LEU HA H 3.840 0.002 1 145 16 16 LEU HB2 H 1.675 0.002 2 146 16 16 LEU HB3 H 1.602 0.003 2 147 16 16 LEU HG H 1.612 0.01 1 148 16 16 LEU HD1 H 0.766 0.01 1 149 16 16 LEU HD2 H 0.726 0.01 1 150 16 16 LEU CA C 58.498 0.1 1 151 16 16 LEU CB C 41.934 0.012 1 152 16 16 LEU CG C 27.491 0.1 1 153 16 16 LEU CD1 C 24.778 0.1 2 154 16 16 LEU CD2 C 25.010 0.1 2 155 16 16 LEU N N 118.509 0.1 1 156 17 17 LEU H H 7.707 0.002 1 157 17 17 LEU HA H 3.752 0.003 1 158 17 17 LEU HB2 H 1.572 0.001 2 159 17 17 LEU HB3 H 1.360 0.003 2 160 17 17 LEU HG H 1.465 0.004 1 161 17 17 LEU HD1 H 0.625 0.01 1 162 17 17 LEU HD2 H 0.598 0.01 1 163 17 17 LEU CA C 58.432 0.1 1 164 17 17 LEU CB C 41.875 0.1 1 165 17 17 LEU CG C 27.162 0.1 1 166 17 17 LEU CD1 C 25.278 0.1 2 167 17 17 LEU CD2 C 24.071 0.1 2 168 17 17 LEU N N 117.930 0.1 1 169 18 18 LEU H H 7.891 0.001 1 170 18 18 LEU HA H 3.805 0.005 1 171 18 18 LEU HB2 H 1.572 0.005 2 172 18 18 LEU HB3 H 1.510 0.007 2 173 18 18 LEU HG H 1.542 0.01 1 174 18 18 LEU HD1 H 0.661 0.01 1 175 18 18 LEU HD2 H 0.639 0.01 1 176 18 18 LEU CA C 58.535 0.1 1 177 18 18 LEU CB C 42.110 0.1 1 178 18 18 LEU CG C 27.373 0.1 1 179 18 18 LEU CD1 C 24.734 0.1 2 180 18 18 LEU CD2 C 24.734 0.1 2 181 18 18 LEU N N 118.161 0.1 1 182 19 19 ALA H H 8.291 0.002 1 183 19 19 ALA HA H 3.699 0.004 1 184 19 19 ALA HB H 1.266 0.003 1 185 19 19 ALA CA C 55.820 0.1 1 186 19 19 ALA CB C 18.112 0.1 1 187 19 19 ALA N N 119.879 0.1 1 188 20 20 ALA H H 8.374 0.004 1 189 20 20 ALA HA H 3.815 0.001 1 190 20 20 ALA HB H 1.280 0.002 1 191 20 20 ALA CA C 55.525 0.1 1 192 20 20 ALA CB C 18.042 0.1 1 193 20 20 ALA N N 118.589 0.1 1 194 21 21 GLY H H 8.510 0.010 1 195 21 21 GLY HA2 H 3.550 0.004 2 196 21 21 GLY HA3 H 3.470 0.01 2 197 21 21 GLY CA C 48.257 0.012 1 198 21 21 GLY N N 105.030 0.1 1 199 22 22 VAL H H 8.465 0.003 1 200 22 22 VAL HA H 3.471 0.001 1 201 22 22 VAL HB H 2.103 0.003 1 202 22 22 VAL HG1 H 0.900 0.001 1 203 22 22 VAL HG2 H 0.804 0.007 1 204 22 22 VAL CA C 67.400 0.1 1 205 22 22 VAL CB C 31.779 0.1 1 206 22 22 VAL CG1 C 23.666 0.1 2 207 22 22 VAL CG2 C 22.426 0.1 2 208 22 22 VAL N N 121.301 0.1 1 209 23 23 GLY H H 8.571 0.001 1 210 23 23 GLY HA2 H 3.474 0.003 1 211 23 23 GLY HA3 H 3.474 0.003 1 212 23 23 GLY CA C 48.339 0.1 1 213 23 23 GLY N N 107.028 0.1 1 214 24 24 ILE H H 8.535 0.002 1 215 24 24 ILE HA H 3.554 0.003 1 216 24 24 ILE HB H 1.859 0.004 1 217 24 24 ILE HG12 H 1.738 0.01 2 218 24 24 ILE HG13 H 0.992 0.01 2 219 24 24 ILE HG2 H 0.742 0.01 1 220 24 24 ILE HD1 H 0.704 0.01 1 221 24 24 ILE CA C 65.057 0.1 1 222 24 24 ILE CB C 38.108 0.1 1 223 24 24 ILE CG1 C 30.038 0.1 1 224 24 24 ILE CG2 C 17.963 0.1 1 225 24 24 ILE CD1 C 13.768 0.1 1 226 24 24 ILE N N 119.763 0.1 1 227 25 25 TYR H H 8.074 0.007 1 228 25 25 TYR HA H 4.169 0.002 1 229 25 25 TYR HB2 H 3.136 0.002 2 230 25 25 TYR HB3 H 2.969 0.002 2 231 25 25 TYR HD1 H 6.889 0.01 1 232 25 25 TYR HD2 H 6.889 0.01 1 233 25 25 TYR HE1 H 6.654 0.01 1 234 25 25 TYR HE2 H 6.654 0.01 1 235 25 25 TYR CA C 61.643 0.1 1 236 25 25 TYR CB C 39.438 0.1 1 237 25 25 TYR CD1 C 133.222 0.1 1 238 25 25 TYR CD2 C 133.222 0.1 1 239 25 25 TYR CE1 C 118.457 0.1 1 240 25 25 TYR CE2 C 118.457 0.1 1 241 26 26 LEU H H 8.282 0.004 1 242 26 26 LEU HA H 3.927 0.01 1 243 26 26 LEU HB2 H 1.930 0.001 2 244 26 26 LEU HB3 H 1.833 0.002 2 245 26 26 LEU HD1 H 0.814 0.01 1 246 26 26 LEU HD2 H 0.809 0.01 1 247 26 26 LEU CA C 56.683 0.1 1 248 26 26 LEU CD1 C 23.129 0.1 2 249 26 26 LEU CD2 C 24.072 0.1 2 250 26 26 LEU N N 117.816 0.1 1 251 27 27 LEU H H 7.948 0.002 1 252 27 27 LEU HA H 4.171 0.005 1 253 27 27 LEU HB2 H 1.800 0.007 2 254 27 27 LEU HB3 H 1.500 0.001 2 255 27 27 LEU HD1 H 0.789 0.01 1 256 27 27 LEU HD2 H 0.776 0.01 1 257 27 27 LEU CA C 55.602 0.1 1 258 27 27 LEU CB C 41.068 0.018 1 259 27 27 LEU CD1 C 26.847 0.1 2 260 27 27 LEU CD2 C 26.069 0.1 2 261 27 27 LEU N N 115.292 0.1 1 262 28 28 PRO HA H 4.248 0.01 1 263 28 28 PRO HB2 H 2.162 0.001 2 264 28 28 PRO HB3 H 1.700 0.003 2 265 28 28 PRO HG2 H 1.924 0.01 1 266 28 28 PRO HG3 H 1.924 0.01 1 267 28 28 PRO HD2 H 3.713 0.065 2 268 28 28 PRO HD3 H 3.538 0.030 2 269 28 28 PRO CA C 64.901 0.1 1 270 28 28 PRO CB C 32.167 0.1 1 271 28 28 PRO CG C 27.185 0.1 1 272 28 28 PRO CD C 51.242 0.012 1 273 29 29 ASN H H 7.909 0.001 1 274 29 29 ASN HA H 4.681 0.006 1 275 29 29 ASN HB2 H 2.741 0.001 2 276 29 29 ASN HB3 H 2.651 0.001 2 277 29 29 ASN HD21 H 7.411 0.01 2 278 29 29 ASN HD22 H 6.801 0.01 2 279 29 29 ASN CA C 53.582 0.1 1 280 29 29 ASN CB C 39.534 0.019 1 281 29 29 ASN N N 114.088 0.1 1 282 29 29 ASN ND2 N 114.499 0.004 1 283 30 30 ARG H H 7.472 0.002 1 284 30 30 ARG HA H 4.365 0.01 1 285 30 30 ARG HB2 H 1.822 0.01 2 286 30 30 ARG HB3 H 1.675 0.01 2 287 30 30 ARG HG2 H 1.532 0.01 1 288 30 30 ARG HG3 H 1.532 0.01 1 289 30 30 ARG HD2 H 3.099 0.01 2 290 30 30 ARG HD3 H 2.990 0.01 2 291 30 30 ARG HE H 6.984 0.01 1 292 30 30 ARG CA C 54.893 0.1 1 293 30 30 ARG CB C 31.204 0.1 1 294 30 30 ARG CG C 27.538 0.1 1 295 30 30 ARG CD C 43.671 0.018 1 296 30 30 ARG N N 119.042 0.1 1 stop_ save_