data_15951 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HCV p7 tm2 ; _BMRB_accession_number 15951 _BMRB_flat_file_name bmr15951.str _Entry_type new _Submission_date 2008-09-12 _Accession_date 2008-09-12 _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 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" 168 "13C chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'update entry citation' 2010-08-12 update BMRB 'update entry citation' 2009-06-01 update BMRB 'complete entry citation' 2009-05-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 6087 'HCV p7' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure and Ion Channel Activity of the p7 Protein from Hepatitis C Virus.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20667830 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Montserret Roland . . 2 Saint Nathalie . . 3 Vanbelle Christophe . . 4 Salvay 'Andres Gerardo' . . 5 Simorre Jean-Pierre . . 6 Ebel Christine . . 7 Sapay Nicolas . . 8 Renisio Jean-Guillaume . . 9 Bockmann Anja . . 10 Steinmann Eike . . 11 Pietschmann Thomas . . 12 Dubuisson Jean . . 13 Chipot Christophe . . 14 Penin Francois . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 31446 _Page_last 31461 _Year 2010 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'Structural and functional analysis of the HCV p7 protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19009258 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saint Nathalie . . 2 Montserret Roland . . 3 Chipot Christophe . . 4 Penin Francois . . stop_ _Journal_abbreviation 'Methods Mol. Biol.' _Journal_name_full 'Methods in molecular biology' _Journal_volume 510 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 125 _Page_last 43 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name p7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p7tm2 $p7tm2 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_p7tm2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p7tm2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; RLVPGAAYALYGVWPLLLLL LALPPRAYA ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 LEU 3 VAL 4 PRO 5 GLY 6 ALA 7 ALA 8 TYR 9 ALA 10 LEU 11 TYR 12 GLY 13 VAL 14 TRP 15 PRO 16 LEU 17 LEU 18 LEU 19 LEU 20 LEU 21 LEU 22 ALA 23 LEU 24 PRO 25 PRO 26 ARG 27 ALA 28 TYR 29 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2K8J "Solution Structure Of Hcv P7 Tm2" 100.00 29 100.00 100.00 5.32e-08 DBJ BAA01943 "polyprotein [Hepatitis C virus]" 100.00 3010 100.00 100.00 1.21e-07 DBJ BAA03375 "polyprotein [Hepatitis C virus]" 100.00 3010 100.00 100.00 1.15e-07 DBJ BAA03905 "polyprotein precursor [Hepatitis C virus genotype 2]" 100.00 2284 100.00 100.00 1.04e-07 DBJ BAA05974 "fusion protein, composed of HCV p21 (NS2), E.coli dihydroforate reductase, substrate polypeptide for HCV serine proteinase and " 100.00 847 100.00 100.00 1.58e-07 DBJ BAA05975 "fusion protein, composed of HCV p21 (NS2), HCV p70 (NS3) and TAX of HTLV-I [synthetic construct]" 100.00 1288 100.00 100.00 1.21e-07 EMBL CAB41951 "polyprotein [Hepatitis C virus]" 100.00 3010 100.00 100.00 1.32e-07 EMBL CAB46677 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 100.00 100.00 1.23e-07 EMBL CAC81096 "non-structural protein, partial [Hepatitis C virus subtype 1b]" 100.00 70 100.00 100.00 2.33e-08 EMBL CAC83165 "p7/NS2 protein, partial [Hepatitis C virus subtype 1b]" 100.00 70 100.00 100.00 3.70e-08 EMBL CAC83167 "p7/NS2 protein, partial [Hepatitis C virus subtype 1b]" 100.00 70 100.00 100.00 3.55e-08 GB AAA45721 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 100.00 100.00 1.34e-07 GB AAA52748 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 100.00 100.00 1.34e-07 GB AAA86907 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 100.00 100.00 1.22e-07 GB AAA86919 "polyprotein, partial [Hepatitis C virus]" 51.72 802 100.00 100.00 7.59e+00 GB AAD50312 "polyprotein precursor [Hepatitis C virus subtype 1b]" 100.00 3010 100.00 100.00 1.27e-07 PRF 1904413A "polyprotein [Hepatitis C virus]" 100.00 3010 100.00 100.00 1.21e-07 SP P26662 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3010 100.00 100.00 1.23e-07 SP P29846 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3010 100.00 100.00 1.26e-07 SP Q00269 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3010 100.00 100.00 1.21e-07 SP Q9WMX2 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3010 100.00 100.00 1.23e-07 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 $p7tm2 'Hepatitis C virus' 11103 Viruses . Hepacivirus 'Hepatitis C virus' 'Shimothono 1b' 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 $p7tm2 'chemical synthesis' . . . . none 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 $p7tm2 1 mM 'natural abundance' trifluoroethanol 90 % 'natural abundance' H2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 temperature 298 0.1 K pH 7 . pH pressure 1 . atm 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 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 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 NOESY' '2D 1H-1H TOCSY' '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 p7tm2 _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 ARG HA H 4.08 0.01 1 2 1 1 ARG HB2 H 1.99 0.01 1 3 1 1 ARG HB3 H 1.99 0.01 1 4 1 1 ARG HD2 H 3.24 0.01 1 5 1 1 ARG HD3 H 3.24 0.01 1 6 1 1 ARG HE H 7.23 0.01 1 7 1 1 ARG HG2 H 1.73 0.01 2 8 1 1 ARG HG3 H 1.67 0.01 2 9 1 1 ARG CA C 56.46 0.01 1 10 1 1 ARG CB C 31.88 0.01 1 11 1 1 ARG CD C 44.13 0.01 1 12 1 1 ARG CG C 27.05 0.01 1 13 2 2 LEU H H 8.47 0.01 1 14 2 2 LEU HA H 4.50 0.01 1 15 2 2 LEU HB2 H 1.66 0.01 2 16 2 2 LEU HB3 H 1.62 0.01 2 17 2 2 LEU HD1 H 0.95 0.01 2 18 2 2 LEU HD2 H 0.91 0.01 2 19 2 2 LEU CA C 56.34 0.01 1 20 2 2 LEU CB C 43.69 0.01 1 21 3 3 VAL H H 7.78 0.01 1 22 3 3 VAL HA H 4.55 0.01 1 23 3 3 VAL HB H 2.16 0.01 1 24 3 3 VAL HG1 H 0.99 0.01 2 25 3 3 VAL HG2 H 0.96 0.01 2 26 3 3 VAL CA C 60.38 0.01 1 27 3 3 VAL CB C 33.98 0.01 1 28 3 3 VAL CG1 C 21.83 0.01 2 29 3 3 VAL CG2 C 20.60 0.01 2 30 4 4 PRO HA H 4.37 0.01 1 31 4 4 PRO HB2 H 2.30 0.01 2 32 4 4 PRO HB3 H 1.99 0.01 2 33 4 4 PRO HD2 H 3.86 0.01 2 34 4 4 PRO HD3 H 3.71 0.01 2 35 4 4 PRO HG2 H 2.12 0.01 2 36 4 4 PRO HG3 H 1.99 0.01 2 37 4 4 PRO CA C 64.80 0.01 1 38 4 4 PRO CB C 32.66 0.01 1 39 4 4 PRO CD C 51.69 0.01 1 40 4 4 PRO CG C 28.17 0.01 1 41 5 5 GLY H H 8.15 0.01 1 42 5 5 GLY HA2 H 4.03 0.01 2 43 5 5 GLY HA3 H 3.90 0.01 2 44 5 5 GLY CA C 46.82 0.01 1 45 6 6 ALA H H 7.85 0.01 1 46 6 6 ALA HA H 4.24 0.01 1 47 6 6 ALA HB H 1.44 0.01 1 48 6 6 ALA CA C 54.77 0.01 1 49 6 6 ALA CB C 19.38 0.01 1 50 7 7 ALA H H 7.92 0.01 1 51 7 7 ALA HA H 4.14 0.01 1 52 7 7 ALA HB H 1.38 0.01 1 53 7 7 ALA CA C 55.10 0.01 1 54 7 7 ALA CB C 18.85 0.01 1 55 8 8 TYR H H 7.58 0.01 1 56 8 8 TYR HA H 4.37 0.01 1 57 8 8 TYR HB2 H 3.11 0.01 2 58 8 8 TYR HB3 H 3.05 0.01 2 59 8 8 TYR HD1 H 7.11 0.01 1 60 8 8 TYR HD2 H 7.11 0.01 1 61 8 8 TYR HE1 H 6.83 0.01 1 62 8 8 TYR HE2 H 6.83 0.01 1 63 8 8 TYR CA C 60.43 0.01 1 64 8 8 TYR CB C 39.01 0.01 1 65 8 8 TYR CD1 C 134.18 0.01 1 66 8 8 TYR CD2 C 134.18 0.01 1 67 8 8 TYR CE1 C 119.13 0.01 1 68 8 8 TYR CE2 C 119.13 0.01 1 69 9 9 ALA H H 7.73 0.01 1 70 9 9 ALA HA H 4.21 0.01 1 71 9 9 ALA HB H 1.46 0.01 1 72 9 9 ALA CA C 55.02 0.01 1 73 9 9 ALA CB C 19.18 0.01 1 74 10 10 LEU H H 7.76 0.01 1 75 10 10 LEU HA H 4.24 0.01 1 76 10 10 LEU HB2 H 1.63 0.01 2 77 10 10 LEU HB3 H 1.44 0.01 2 78 10 10 LEU HD1 H 0.89 0.01 2 79 10 10 LEU HD2 H 0.82 0.01 2 80 10 10 LEU CA C 57.20 0.01 1 81 10 10 LEU CB C 43.09 0.01 1 82 11 11 TYR HA H 4.45 0.01 1 83 11 11 TYR HB2 H 3.17 0.01 2 84 11 11 TYR HB3 H 3.06 0.01 2 85 11 11 TYR HD1 H 7.13 0.01 1 86 11 11 TYR HD2 H 7.13 0.01 1 87 11 11 TYR HE1 H 6.82 0.01 1 88 11 11 TYR HE2 H 6.82 0.01 1 89 11 11 TYR CA C 60.16 0.01 1 90 11 11 TYR CB C 39.42 0.01 1 91 11 11 TYR CD1 C 133.85 0.01 1 92 11 11 TYR CD2 C 133.85 0.01 1 93 11 11 TYR CE1 C 119.02 0.01 1 94 11 11 TYR CE2 C 119.02 0.01 1 95 12 12 GLY H H 7.91 0.01 1 96 12 12 GLY HA2 H 3.90 0.01 1 97 12 12 GLY HA3 H 3.90 0.01 1 98 12 12 GLY CA C 46.72 0.01 1 99 13 13 VAL H H 7.65 0.01 1 100 13 13 VAL HA H 4.33 0.01 1 101 13 13 VAL HB H 2.27 0.01 1 102 13 13 VAL HG1 H 0.95 0.01 2 103 13 13 VAL HG2 H 0.93 0.01 2 104 13 13 VAL CA C 62.93 0.01 1 105 13 13 VAL CB C 33.51 0.01 1 106 13 13 VAL CG1 C 20.85 0.01 2 107 13 13 VAL CG2 C 21.56 0.01 2 108 14 14 TRP H H 7.78 0.01 1 109 14 14 TRP HA H 4.80 0.01 1 110 14 14 TRP HB2 H 3.43 0.01 2 111 14 14 TRP HB3 H 3.38 0.01 2 112 14 14 TRP HD1 H 7.27 0.01 1 113 14 14 TRP HE1 H 9.63 0.01 1 114 14 14 TRP HE3 H 7.55 0.01 1 115 14 14 TRP HH2 H 7.18 0.01 1 116 14 14 TRP HZ2 H 7.43 0.01 1 117 14 14 TRP HZ3 H 7.07 0.01 1 118 14 14 TRP CB C 29.03 0.01 1 119 14 14 TRP CD1 C 127.38 0.01 1 120 14 14 TRP CE3 C 121.74 0.01 1 121 14 14 TRP CH2 C 125.77 0.01 1 122 14 14 TRP CZ2 C 115.40 0.01 1 123 14 14 TRP CZ3 C 122.91 0.01 1 124 15 15 PRO HA H 4.19 0.01 1 125 15 15 PRO HB2 H 2.24 0.01 2 126 15 15 PRO HB3 H 1.73 0.01 2 127 15 15 PRO HD2 H 3.52 0.01 2 128 15 15 PRO HD3 H 3.44 0.01 2 129 15 15 PRO HG2 H 1.93 0.01 2 130 15 15 PRO HG3 H 1.53 0.01 2 131 15 15 PRO CA C 66.86 0.01 1 132 15 15 PRO CB C 31.92 0.01 1 133 15 15 PRO CD C 51.18 0.01 1 134 15 15 PRO CG C 28.78 0.01 1 135 16 16 LEU H H 7.11 0.01 1 136 16 16 LEU HA H 4.18 0.01 1 137 16 16 LEU HB2 H 1.70 0.01 2 138 16 16 LEU HB3 H 1.62 0.01 2 139 16 16 LEU HD1 H 0.93 0.01 2 140 16 16 LEU HD2 H 0.89 0.01 2 141 16 16 LEU CA C 58.17 0.01 1 142 16 16 LEU CB C 42.76 0.01 1 143 17 17 LEU H H 7.70 0.01 1 144 17 17 LEU HA H 4.03 0.01 1 145 17 17 LEU HB2 H 1.77 0.01 2 146 17 17 LEU HB3 H 1.64 0.01 2 147 17 17 LEU HD1 H 0.90 0.01 2 148 17 17 LEU HD2 H 0.87 0.01 2 149 17 17 LEU CA C 59.06 0.01 1 150 18 18 LEU H H 7.79 0.01 1 151 18 18 LEU HA H 4.01 0.01 1 152 18 18 LEU HB2 H 1.76 0.01 2 153 18 18 LEU HB3 H 1.53 0.01 2 154 18 18 LEU HD1 H 0.89 0.01 2 155 18 18 LEU HD2 H 0.83 0.01 2 156 18 18 LEU HG H 1.70 0.01 1 157 18 18 LEU CA C 58.91 0.01 1 158 18 18 LEU CB C 42.50 0.01 1 159 18 18 LEU CG C 27.97 0.01 1 160 19 19 LEU H H 7.44 0.01 1 161 19 19 LEU HA H 4.14 0.01 1 162 19 19 LEU HB2 H 1.86 0.01 2 163 19 19 LEU HB3 H 1.78 0.01 2 164 19 19 LEU HD1 H 0.94 0.01 2 165 19 19 LEU HD2 H 0.89 0.01 2 166 19 19 LEU CA C 58.86 0.01 1 167 19 19 LEU CB C 42.79 0.01 1 168 20 20 LEU H H 8.07 0.01 1 169 20 20 LEU HA H 4.12 0.01 1 170 20 20 LEU HB2 H 1.95 0.01 2 171 20 20 LEU HB3 H 1.54 0.01 2 172 20 20 LEU HD1 H 0.88 0.01 2 173 20 20 LEU HD2 H 0.85 0.01 2 174 20 20 LEU CA C 58.59 0.01 1 175 20 20 LEU CB C 42.78 0.01 1 176 21 21 LEU H H 8.10 0.01 1 177 21 21 LEU HA H 4.26 0.01 1 178 21 21 LEU HB2 H 1.91 0.01 2 179 21 21 LEU HB3 H 1.56 0.01 2 180 21 21 LEU HD1 H 0.89 0.01 1 181 21 21 LEU HD2 H 0.89 0.01 1 182 21 21 LEU CA C 57.16 0.01 1 183 21 21 LEU CB C 43.23 0.01 1 184 22 22 ALA H H 7.79 0.01 1 185 22 22 ALA HA H 4.36 0.01 1 186 22 22 ALA HB H 1.53 0.01 1 187 22 22 ALA CA C 53.81 0.01 1 188 22 22 ALA CB C 19.99 0.01 1 189 23 23 LEU H H 7.62 0.01 1 190 23 23 LEU HA H 4.61 0.01 1 191 23 23 LEU HB2 H 1.86 0.01 2 192 23 23 LEU HB3 H 1.51 0.01 2 193 23 23 LEU HD1 H 0.95 0.01 2 194 23 23 LEU HD2 H 0.92 0.01 2 195 23 23 LEU HG H 1.94 0.01 1 196 23 23 LEU CA C 54.62 0.01 1 197 23 23 LEU CB C 42.71 0.01 1 198 23 23 LEU CG C 27.63 0.01 1 199 24 24 PRO HA H 4.71 0.01 1 200 24 24 PRO HB2 H 2.38 0.01 2 201 24 24 PRO HB3 H 1.94 0.01 2 202 24 24 PRO HD2 H 3.93 0.01 2 203 24 24 PRO HD3 H 3.59 0.01 2 204 24 24 PRO HG2 H 2.12 0.01 2 205 24 24 PRO HG3 H 2.10 0.01 2 206 24 24 PRO CB C 31.47 0.01 1 207 24 24 PRO CD C 51.11 0.01 1 208 25 25 PRO HA H 4.36 0.01 1 209 25 25 PRO HB2 H 2.31 0.01 2 210 25 25 PRO HB3 H 1.93 0.01 2 211 25 25 PRO HD2 H 3.86 0.01 2 212 25 25 PRO HD3 H 3.65 0.01 2 213 25 25 PRO HG2 H 2.09 0.01 1 214 25 25 PRO HG3 H 2.09 0.01 1 215 25 25 PRO CA C 64.80 0.01 1 216 25 25 PRO CB C 32.51 0.01 1 217 25 25 PRO CD C 51.19 0.01 1 218 26 26 ARG H H 7.83 0.01 1 219 26 26 ARG HA H 4.26 0.01 1 220 26 26 ARG HB2 H 1.83 0.01 2 221 26 26 ARG HB3 H 1.80 0.01 2 222 26 26 ARG HD2 H 3.21 0.01 1 223 26 26 ARG HD3 H 3.21 0.01 1 224 26 26 ARG HE H 7.15 0.01 1 225 26 26 ARG HG2 H 1.67 0.01 1 226 26 26 ARG HG3 H 1.67 0.01 1 227 26 26 ARG CA C 57.27 0.01 1 228 26 26 ARG CB C 31.63 0.01 1 229 26 26 ARG CD C 44.18 0.01 1 230 26 26 ARG CG C 27.01 0.01 1 231 27 27 ALA H H 8.03 0.01 1 232 27 27 ALA HA H 4.27 0.01 1 233 27 27 ALA HB H 1.36 0.01 1 234 27 27 ALA CA C 53.88 0.01 1 235 27 27 ALA CB C 19.92 0.01 1 236 28 28 TYR H H 7.58 0.01 1 237 28 28 TYR HA H 4.62 0.01 1 238 28 28 TYR HB2 H 3.10 0.01 2 239 28 28 TYR HB3 H 3.00 0.01 2 240 28 28 TYR HD1 H 7.11 0.01 1 241 28 28 TYR HD2 H 7.11 0.01 1 242 28 28 TYR HE1 H 6.84 0.01 1 243 28 28 TYR HE2 H 6.84 0.01 1 244 28 28 TYR CA C 58.24 0.01 1 245 28 28 TYR CB C 39.91 0.01 1 246 28 28 TYR CD1 C 133.78 0.01 1 247 28 28 TYR CD2 C 133.78 0.01 1 248 28 28 TYR CE1 C 119.05 0.01 1 249 28 28 TYR CE2 C 119.05 0.01 1 250 29 29 ALA H H 7.76 0.01 1 251 29 29 ALA HA H 4.38 0.01 1 252 29 29 ALA HB H 1.43 0.01 1 253 29 29 ALA CA C 52.59 0.01 1 254 29 29 ALA CB C 19.87 0.01 1 stop_ save_