data_18568 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ns4b40 ; _BMRB_accession_number 18568 _BMRB_flat_file_name bmr18568.str _Entry_type original _Submission_date 2012-07-05 _Accession_date 2012-07-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'membrane segment 1-40 of Hepatitis C virus NS4B 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" 237 "13C chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-14 update author 'update entry citation' 2013-06-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Aminoterminal Amphipathic alpha-Helix AH1 of Hepatitis C Virus Nonstructural Protein 4B Possesses a Dual Role in RNA Replication and Virus Production' _Citation_status accepted _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 'PLOS Pathogens' _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 NS4B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NS4B $NS4B 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_NS4B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 4385.087 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 40 _Mol_residue_sequence ; ASRAALIEEGQRIAEMLKSK IQGLLQQASKQAQDIQPAMQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 SER 3 3 ARG 4 4 ALA 5 5 ALA 6 6 LEU 7 7 ILE 8 8 GLU 9 9 GLU 10 10 GLY 11 11 GLN 12 12 ARG 13 13 ILE 14 14 ALA 15 15 GLU 16 16 MET 17 17 LEU 18 18 LYS 19 19 SER 20 20 LYS 21 21 ILE 22 22 GLN 23 23 GLY 24 24 LEU 25 25 LEU 26 26 GLN 27 27 GLN 28 28 ALA 29 29 SER 30 30 LYS 31 31 GLN 32 32 ALA 33 33 GLN 34 34 ASP 35 35 ILE 36 36 GLN 37 37 PRO 38 38 ALA 39 39 MET 40 40 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 PDB 2LVG "Nmr Structure Of Hcv Non-structural Protein Ab, Ns4b(1-40)" 100.00 40 100.00 100.00 2.31e-16 DBJ BAA00792 "polyprotein [Hepatitis C virus]" 100.00 3033 97.50 100.00 1.09e-15 DBJ BAB32872 "polyprotein [Hepatitis C virus (isolate JFH-1)] [Hepatitis C virus JFH-1]" 100.00 3033 100.00 100.00 2.26e-16 DBJ BAB32874 "polyprotein [Hepatitis C virus]" 100.00 3033 97.50 100.00 1.09e-15 DBJ BAB32875 "polyprotein [Hepatitis C virus]" 100.00 3033 97.50 100.00 1.09e-15 DBJ BAD06942 "hepatitis C virus nonstructural protein [Hepatitis C virus]" 100.00 2004 100.00 100.00 1.02e-15 GB AAC53944 "nonstructural protein, partial [Hepatitis C virus]" 100.00 138 97.50 100.00 8.54e-16 GB AAC53945 "nonstructural protein, partial [Hepatitis C virus]" 100.00 138 97.50 100.00 9.19e-16 GB AAF25610 "polyprotein [Hepatitis C virus subtype 2a]" 100.00 3033 97.50 100.00 1.09e-15 GB AAF25613 "polyprotein [Hepatitis C virus subtype 2a]" 100.00 3033 97.50 100.00 1.09e-15 GB ABX82715 "polyprotein [Recombinant Hepatitis C virus S52/JFH1]" 100.00 3035 100.00 100.00 2.26e-16 SP P26660 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3033 97.50 100.00 1.09e-15 SP Q99IB8 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3033 100.00 100.00 2.26e-16 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $NS4B 'Hepatitis C Virus' 11103 Viruses . Hepacivirus 'Hepatitis C virus' ; Viruses ssRNA positive-strand viruses, no DNA stage Flaviviridae Hepacivirus Recombinant Hepatitis C virus J6/JFH1 ; 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 $NS4B '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 H2O 40 v/v 'natural abundance' D2O 10 v/v '[U-100% 2H]' TFE 50 v/v '[U-100% 2H]' DSS 0.2 uM 'natural abundance' $NS4B 1.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing 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_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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-1H_TOCSY_3 _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 pH 5 . pH pressure 1 . atm temperature 298 0.1 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 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 '2D 1H-13C HSQC' '2D 1H-1H NOESY' 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 NS4B _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 ALA HA H 4.165 0.010 1 2 1 1 ALA HB H 1.567 0.010 1 3 1 1 ALA CA C 51.245 0.010 1 4 1 1 ALA CB C 18.479 0.010 1 5 2 2 SER H H 8.262 0.010 1 6 2 2 SER HA H 4.685 0.010 1 7 2 2 SER HB2 H 4.173 0.010 2 8 2 2 SER HB3 H 3.986 0.010 2 9 2 2 SER CA C 56.622 0.010 1 10 2 2 SER CB C 63.957 0.010 1 11 3 3 ARG H H 8.777 0.010 1 12 3 3 ARG HA H 4.167 0.010 1 13 3 3 ARG HB2 H 1.942 0.010 1 14 3 3 ARG HB3 H 1.942 0.010 1 15 3 3 ARG HG2 H 1.819 0.010 2 16 3 3 ARG HG3 H 1.748 0.010 2 17 3 3 ARG HD2 H 3.255 0.010 1 18 3 3 ARG HD3 H 3.255 0.010 1 19 3 3 ARG HE H 7.143 0.010 1 20 3 3 ARG CA C 58.445 0.010 1 21 3 3 ARG CB C 29.484 0.010 1 22 3 3 ARG CG C 27.019 0.010 1 23 3 3 ARG CD C 42.673 0.010 1 24 4 4 ALA H H 8.076 0.010 1 25 4 4 ALA HA H 4.080 0.010 1 26 4 4 ALA HB H 1.448 0.010 1 27 4 4 ALA CA C 54.654 0.010 1 28 4 4 ALA CB C 17.268 0.010 1 29 5 5 ALA H H 7.720 0.010 1 30 5 5 ALA HA H 4.144 0.010 1 31 5 5 ALA HB H 1.546 0.010 1 32 5 5 ALA CA C 54.459 0.010 1 33 5 5 ALA CB C 17.502 0.010 1 34 6 6 LEU H H 7.682 0.010 1 35 6 6 LEU HA H 4.179 0.010 1 36 6 6 LEU HB2 H 1.970 0.010 2 37 6 6 LEU HB3 H 1.800 0.010 2 38 6 6 LEU HG H 1.798 0.010 1 39 6 6 LEU HD1 H 0.942 0.010 2 40 6 6 LEU HD2 H 0.923 0.010 2 41 6 6 LEU CA C 57.440 0.010 1 42 6 6 LEU CB C 41.251 0.010 1 43 6 6 LEU CG C 26.503 0.010 1 44 6 6 LEU CD1 C 23.481 0.010 2 45 6 6 LEU CD2 C 22.296 0.010 2 46 7 7 ILE H H 8.113 0.010 1 47 7 7 ILE HA H 3.808 0.010 1 48 7 7 ILE HB H 2.013 0.010 1 49 7 7 ILE HG12 H 1.793 0.010 2 50 7 7 ILE HG13 H 1.215 0.010 2 51 7 7 ILE HG2 H 0.959 0.010 1 52 7 7 ILE HD1 H 0.887 0.010 1 53 7 7 ILE CA C 64.746 0.010 1 54 7 7 ILE CB C 37.452 0.010 1 55 7 7 ILE CG1 C 28.364 0.010 1 56 7 7 ILE CG2 C 16.080 0.010 1 57 7 7 ILE CD1 C 11.775 0.010 1 58 8 8 GLU H H 8.321 0.010 1 59 8 8 GLU HA H 4.123 0.010 1 60 8 8 GLU HB2 H 2.279 0.010 2 61 8 8 GLU HB3 H 2.204 0.010 2 62 8 8 GLU HG2 H 2.647 0.010 2 63 8 8 GLU HG3 H 2.526 0.010 2 64 8 8 GLU CA C 58.600 0.010 1 65 8 8 GLU CB C 27.233 0.010 1 66 8 8 GLU CG C 32.367 0.010 1 67 9 9 GLU H H 8.413 0.010 1 68 9 9 GLU HA H 4.211 0.010 1 69 9 9 GLU HB2 H 2.322 0.010 2 70 9 9 GLU HB3 H 2.230 0.010 2 71 9 9 GLU HG2 H 2.566 0.010 1 72 9 9 GLU HG3 H 2.566 0.010 1 73 9 9 GLU CA C 58.403 0.010 1 74 9 9 GLU CB C 26.989 0.010 1 75 9 9 GLU CG C 31.510 0.010 1 76 10 10 GLY H H 8.432 0.010 1 77 10 10 GLY HA2 H 3.960 0.010 2 78 10 10 GLY HA3 H 3.869 0.010 2 79 10 10 GLY CA C 46.648 0.010 1 80 11 11 GLN H H 8.203 0.010 1 81 11 11 GLN HA H 4.173 0.010 1 82 11 11 GLN HB2 H 2.263 0.010 2 83 11 11 GLN HB3 H 2.261 0.010 2 84 11 11 GLN HG2 H 2.599 0.010 2 85 11 11 GLN HG3 H 2.440 0.010 2 86 11 11 GLN CA C 58.337 0.010 1 87 11 11 GLN CB C 27.847 0.010 1 88 11 11 GLN CG C 33.468 0.010 1 89 12 12 ARG H H 8.004 0.010 1 90 12 12 ARG HA H 4.126 0.010 1 91 12 12 ARG HB2 H 2.124 0.010 2 92 12 12 ARG HB3 H 2.046 0.010 2 93 12 12 ARG HG2 H 1.936 0.010 2 94 12 12 ARG HG3 H 1.750 0.010 2 95 12 12 ARG HD2 H 3.271 0.010 1 96 12 12 ARG HD3 H 3.271 0.010 1 97 12 12 ARG HE H 7.142 0.010 1 98 12 12 ARG CA C 59.070 0.010 1 99 12 12 ARG CB C 29.230 0.010 1 100 12 12 ARG CG C 27.136 0.010 1 101 12 12 ARG CD C 42.692 0.010 1 102 13 13 ILE H H 8.360 0.010 1 103 13 13 ILE HA H 3.787 0.010 1 104 13 13 ILE HB H 2.021 0.010 1 105 13 13 ILE HG12 H 1.860 0.010 2 106 13 13 ILE HG13 H 1.201 0.010 2 107 13 13 ILE HG2 H 0.970 0.010 1 108 13 13 ILE HD1 H 0.923 0.010 1 109 13 13 ILE CA C 64.843 0.010 1 110 13 13 ILE CB C 37.413 0.010 1 111 13 13 ILE CG1 C 28.470 0.010 1 112 13 13 ILE CG2 C 16.080 0.010 1 113 13 13 ILE CD1 C 11.697 0.010 1 114 14 14 ALA H H 8.186 0.010 1 115 14 14 ALA HA H 4.108 0.010 1 116 14 14 ALA HB H 1.583 0.010 1 117 14 14 ALA CA C 55.278 0.010 1 118 14 14 ALA CB C 17.124 0.010 1 119 15 15 GLU H H 8.165 0.010 1 120 15 15 GLU HA H 4.123 0.010 1 121 15 15 GLU HB2 H 2.357 0.010 2 122 15 15 GLU HB3 H 2.225 0.010 2 123 15 15 GLU HG2 H 2.701 0.010 2 124 15 15 GLU HG3 H 2.626 0.010 2 125 15 15 GLU CA C 58.371 0.010 1 126 15 15 GLU CB C 27.185 0.010 1 127 15 15 GLU CG C 32.182 0.010 1 128 16 16 MET H H 8.327 0.010 1 129 16 16 MET HA H 4.202 0.010 1 130 16 16 MET HB2 H 2.385 0.010 2 131 16 16 MET HB3 H 2.347 0.010 2 132 16 16 MET HG2 H 2.816 0.010 2 133 16 16 MET HG3 H 2.584 0.010 2 134 16 16 MET HE H 2.126 0.010 1 135 16 16 MET CA C 58.662 0.010 1 136 16 16 MET CB C 31.568 0.010 1 137 16 16 MET CG C 31.393 0.010 1 138 16 16 MET CE C 15.579 0.010 1 139 17 17 LEU H H 8.805 0.010 1 140 17 17 LEU HA H 4.130 0.010 1 141 17 17 LEU HB2 H 1.889 0.010 2 142 17 17 LEU HB3 H 1.679 0.010 2 143 17 17 LEU HG H 1.849 0.010 1 144 17 17 LEU HD1 H 0.968 0.010 2 145 17 17 LEU HD2 H 0.921 0.010 2 146 17 17 LEU CA C 58.044 0.010 1 147 17 17 LEU CB C 41.222 0.010 1 148 17 17 LEU CG C 26.323 0.010 1 149 17 17 LEU CD1 C 23.762 0.010 2 150 17 17 LEU CD2 C 22.320 0.010 2 151 18 18 LYS H H 8.458 0.010 1 152 18 18 LYS HA H 3.979 0.010 1 153 18 18 LYS HB2 H 2.003 0.010 1 154 18 18 LYS HB3 H 2.003 0.010 1 155 18 18 LYS HG2 H 1.679 0.010 2 156 18 18 LYS HG3 H 1.453 0.010 2 157 18 18 LYS HD2 H 1.733 0.010 1 158 18 18 LYS HD3 H 1.733 0.010 1 159 18 18 LYS HE2 H 2.985 0.010 1 160 18 18 LYS HE3 H 2.985 0.010 1 161 18 18 LYS HZ H 7.599 0.010 1 162 18 18 LYS CA C 59.895 0.010 1 163 18 18 LYS CB C 31.750 0.010 1 164 18 18 LYS CG C 24.667 0.010 1 165 18 18 LYS CD C 28.994 0.010 1 166 18 18 LYS CE C 41.445 0.010 1 167 19 19 SER H H 8.052 0.010 1 168 19 19 SER HA H 4.314 0.010 1 169 19 19 SER HB2 H 4.159 0.010 2 170 19 19 SER HB3 H 4.074 0.010 2 171 19 19 SER CA C 61.473 0.010 1 172 19 19 SER CB C 62.330 0.010 1 173 20 20 LYS H H 8.153 0.010 1 174 20 20 LYS HA H 4.238 0.010 1 175 20 20 LYS HB2 H 2.166 0.010 2 176 20 20 LYS HB3 H 2.059 0.010 2 177 20 20 LYS HG2 H 1.742 0.010 2 178 20 20 LYS HG3 H 1.555 0.010 2 179 20 20 LYS HD2 H 1.748 0.010 1 180 20 20 LYS HD3 H 1.748 0.010 1 181 20 20 LYS HE2 H 3.010 0.010 1 182 20 20 LYS HE3 H 3.010 0.010 1 183 20 20 LYS HZ H 7.621 0.010 1 184 20 20 LYS CA C 58.487 0.010 1 185 20 20 LYS CB C 31.605 0.010 1 186 20 20 LYS CG C 24.380 0.010 1 187 20 20 LYS CD C 28.371 0.010 1 188 20 20 LYS CE C 41.523 0.010 1 189 21 21 ILE H H 8.544 0.010 1 190 21 21 ILE HA H 3.810 0.010 1 191 21 21 ILE HB H 2.006 0.010 1 192 21 21 ILE HG12 H 1.803 0.010 2 193 21 21 ILE HG13 H 1.238 0.010 2 194 21 21 ILE HG2 H 0.985 0.010 1 195 21 21 ILE HD1 H 0.882 0.010 1 196 21 21 ILE CA C 64.295 0.010 1 197 21 21 ILE CB C 37.410 0.010 1 198 21 21 ILE CG1 C 28.390 0.010 1 199 21 21 ILE CG2 C 16.078 0.010 1 200 21 21 ILE CD1 C 11.430 0.010 1 201 22 22 GLN H H 8.553 0.010 1 202 22 22 GLN HA H 4.022 0.010 1 203 22 22 GLN HB2 H 2.306 0.010 2 204 22 22 GLN HB3 H 2.161 0.010 2 205 22 22 GLN HG2 H 2.626 0.010 2 206 22 22 GLN HG3 H 2.371 0.010 2 207 22 22 GLN CA C 59.395 0.010 1 208 22 22 GLN CB C 27.794 0.020 1 209 22 22 GLN CG C 33.873 0.010 1 210 23 23 GLY H H 8.051 0.010 1 211 23 23 GLY HA2 H 3.964 0.010 2 212 23 23 GLY HA3 H 3.873 0.010 2 213 23 23 GLY CA C 46.628 0.010 1 214 24 24 LEU H H 8.091 0.010 1 215 24 24 LEU HA H 4.243 0.010 1 216 24 24 LEU HB2 H 1.998 0.010 2 217 24 24 LEU HB3 H 1.806 0.010 2 218 24 24 LEU HG H 1.820 0.010 1 219 24 24 LEU HD1 H 0.962 0.010 2 220 24 24 LEU HD2 H 0.945 0.010 2 221 24 24 LEU CA C 57.176 0.010 1 222 24 24 LEU CB C 41.309 0.010 1 223 24 24 LEU CG C 26.446 0.010 1 224 24 24 LEU CD1 C 23.594 0.010 2 225 24 24 LEU CD2 C 22.671 0.010 2 226 25 25 LEU H H 8.572 0.010 1 227 25 25 LEU HA H 4.155 0.010 1 228 25 25 LEU HB2 H 1.998 0.010 2 229 25 25 LEU HB3 H 1.552 0.010 2 230 25 25 LEU HG H 1.947 0.010 1 231 25 25 LEU HD1 H 0.917 0.010 2 232 25 25 LEU HD2 H 0.885 0.010 2 233 25 25 LEU CA C 57.516 0.010 1 234 25 25 LEU CB C 41.034 0.010 1 235 25 25 LEU CG C 26.263 0.010 1 236 25 25 LEU CD1 C 24.221 0.010 2 237 25 25 LEU CD2 C 21.230 0.010 2 238 26 26 GLN H H 8.414 0.010 1 239 26 26 GLN HA H 4.085 0.010 1 240 26 26 GLN HB2 H 2.366 0.010 2 241 26 26 GLN HB3 H 2.241 0.010 2 242 26 26 GLN HG2 H 2.656 0.010 2 243 26 26 GLN HG3 H 2.430 0.010 2 244 26 26 GLN HE21 H 6.671 0.010 2 245 26 26 GLN HE22 H 7.206 0.010 2 246 26 26 GLN CA C 58.759 0.010 1 247 26 26 GLN CB C 27.923 0.010 1 248 26 26 GLN CG C 33.744 0.010 1 249 27 27 GLN H H 8.029 0.010 1 250 27 27 GLN HA H 4.154 0.010 1 251 27 27 GLN HB2 H 2.305 0.010 1 252 27 27 GLN HB3 H 2.305 0.010 1 253 27 27 GLN HG2 H 2.519 0.010 1 254 27 27 GLN HG3 H 2.519 0.010 1 255 27 27 GLN CA C 58.322 0.010 1 256 27 27 GLN CB C 27.841 0.010 1 257 27 27 GLN CG C 33.042 0.010 1 258 28 28 ALA H H 8.722 0.010 1 259 28 28 ALA HA H 4.181 0.010 1 260 28 28 ALA HB H 1.563 0.010 1 261 28 28 ALA CA C 54.493 0.010 1 262 28 28 ALA CB C 17.106 0.010 1 263 29 29 SER H H 8.171 0.010 1 264 29 29 SER HA H 4.278 0.010 1 265 29 29 SER HB2 H 4.093 0.010 2 266 29 29 SER HB3 H 4.038 0.010 2 267 29 29 SER CA C 60.571 0.010 1 268 29 29 SER CB C 62.519 0.010 1 269 30 30 LYS H H 7.768 0.010 1 270 30 30 LYS HA H 4.241 0.010 1 271 30 30 LYS HB2 H 2.018 0.010 1 272 30 30 LYS HB3 H 2.018 0.010 1 273 30 30 LYS HG2 H 1.646 0.010 2 274 30 30 LYS HG3 H 1.554 0.010 2 275 30 30 LYS HD2 H 1.756 0.010 1 276 30 30 LYS HD3 H 1.756 0.010 1 277 30 30 LYS HE2 H 3.038 0.010 1 278 30 30 LYS HE3 H 3.038 0.010 1 279 30 30 LYS HZ H 7.619 0.010 1 280 30 30 LYS CA C 57.769 0.010 1 281 30 30 LYS CB C 31.718 0.010 1 282 30 30 LYS CG C 24.354 0.010 1 283 30 30 LYS CD C 28.348 0.010 1 284 30 30 LYS CE C 41.537 0.010 1 285 31 31 GLN H H 8.052 0.010 1 286 31 31 GLN HA H 4.240 0.010 1 287 31 31 GLN HB2 H 2.220 0.010 1 288 31 31 GLN HB3 H 2.220 0.010 1 289 31 31 GLN HG2 H 2.516 0.010 2 290 31 31 GLN HG3 H 2.477 0.010 2 291 31 31 GLN CA C 57.696 0.010 1 292 31 31 GLN CB C 28.165 0.010 1 293 31 31 GLN CG C 33.415 0.010 1 294 32 32 ALA H H 8.048 0.010 1 295 32 32 ALA HA H 4.239 0.010 1 296 32 32 ALA HB H 1.535 0.010 1 297 32 32 ALA CA C 53.441 0.010 1 298 32 32 ALA CB C 17.614 0.010 1 299 33 33 GLN H H 7.906 0.010 1 300 33 33 GLN HA H 4.276 0.010 1 301 33 33 GLN HB2 H 2.228 0.010 2 302 33 33 GLN HB3 H 2.167 0.010 2 303 33 33 GLN HG2 H 2.547 0.010 2 304 33 33 GLN HG3 H 2.462 0.010 2 305 33 33 GLN CA C 56.344 0.010 1 306 33 33 GLN CB C 28.546 0.010 1 307 33 33 GLN CG C 33.414 0.010 1 308 34 34 ASP H H 8.088 0.010 1 309 34 34 ASP HA H 4.776 0.010 1 310 34 34 ASP HB2 H 3.002 0.010 1 311 34 34 ASP HB3 H 3.002 0.010 1 312 34 34 ASP CA C 52.924 0.010 1 313 34 34 ASP CB C 37.328 0.010 1 314 35 35 ILE H H 7.711 0.010 1 315 35 35 ILE HA H 4.257 0.010 1 316 35 35 ILE HB H 1.994 0.010 1 317 35 35 ILE HG12 H 1.563 0.010 2 318 35 35 ILE HG13 H 1.281 0.010 2 319 35 35 ILE HG2 H 0.962 0.010 1 320 35 35 ILE HD1 H 0.920 0.010 1 321 35 35 ILE CA C 61.043 0.010 1 322 35 35 ILE CB C 38.261 0.010 1 323 35 35 ILE CG1 C 26.789 0.010 1 324 35 35 ILE CG2 C 16.623 0.010 1 325 35 35 ILE CD1 C 12.104 0.010 1 326 36 36 GLN H H 7.996 0.010 1 327 36 36 GLN HA H 4.620 0.010 1 328 36 36 GLN HB2 H 2.221 0.010 2 329 36 36 GLN HB3 H 2.066 0.010 2 330 36 36 GLN HG2 H 2.455 0.010 1 331 36 36 GLN HG3 H 2.455 0.010 1 332 36 36 GLN CA C 54.465 0.010 1 333 36 36 GLN CB C 28.075 0.010 1 334 36 36 GLN CG C 32.980 0.010 1 335 37 37 PRO HA H 4.393 0.010 1 336 37 37 PRO HB2 H 2.353 0.010 2 337 37 37 PRO HB3 H 1.955 0.010 2 338 37 37 PRO HG2 H 2.122 0.010 2 339 37 37 PRO HG3 H 2.035 0.010 2 340 37 37 PRO HD2 H 3.821 0.010 2 341 37 37 PRO HD3 H 3.728 0.010 2 342 37 37 PRO CA C 63.886 0.010 1 343 37 37 PRO CB C 31.128 0.010 1 344 37 37 PRO CG C 26.855 0.010 1 345 37 37 PRO CD C 50.026 0.010 1 346 38 38 ALA H H 8.013 0.010 1 347 38 38 ALA HA H 4.322 0.010 1 348 38 38 ALA HB H 1.473 0.010 1 349 38 38 ALA CA C 52.550 0.010 1 350 38 38 ALA CB C 18.003 0.010 1 351 39 39 MET HA H 4.473 0.010 1 352 39 39 MET HB2 H 2.207 0.010 2 353 39 39 MET HB3 H 2.117 0.010 2 354 39 39 MET HG2 H 2.661 0.010 2 355 39 39 MET HG3 H 2.584 0.010 2 356 39 39 MET HE H 2.126 0.010 1 357 39 39 MET CA C 55.365 0.010 1 358 39 39 MET CB C 32.250 0.010 1 359 39 39 MET CG C 31.720 0.010 1 360 39 39 MET CE C 15.950 0.010 1 361 40 40 GLN H H 7.993 0.010 1 362 40 40 GLN HA H 4.345 0.010 1 363 40 40 GLN HB2 H 2.208 0.010 2 364 40 40 GLN HB3 H 2.050 0.010 2 365 40 40 GLN HG2 H 2.406 0.010 1 366 40 40 GLN HG3 H 2.406 0.010 1 367 40 40 GLN CA C 55.191 0.010 1 368 40 40 GLN CB C 29.120 0.010 1 369 40 40 GLN CG C 33.311 0.010 1 stop_ save_