data_17011 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; s34r structure ; _BMRB_accession_number 17011 _BMRB_flat_file_name bmr17011.str _Entry_type original _Submission_date 2010-06-21 _Accession_date 2010-06-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'E2[296-331] segment of Hepaptitis C Virus' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Montserret Roland . . 2 Dubuisson Jean . . 3 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" 205 "13C chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-10 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification of new functional regions in hepatitis C virus envelope glycoprotein E2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21147916 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Albecka Anna . . 2 Montserret Roland . . 3 Krey Thomas . . 4 Tarr Alexander W. . 5 Diesis Eric . . 6 Ball Jonathan K. . 7 Descamps Veronique . . 8 Duverlie Gilles . . 9 Rey Felix . . 10 Penin Francois . . 11 Dubuisson Jean . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_volume 85 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1777 _Page_last 1792 _Year 2011 _Details . loop_ _Keyword 'Membrane protein' 'E2 structural protein' 'HCV virus' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E2[296-331] segment of Hepaptitis C Virus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label s34r $s34r 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_s34r _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common s34r _Molecular_mass 4031.715 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; SDLPALSTGLLHLHQNIVDV QYMYGLSPAITKYVVR ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 LEU 4 PRO 5 ALA 6 LEU 7 SER 8 THR 9 GLY 10 LEU 11 LEU 12 HIS 13 LEU 14 HIS 15 GLN 16 ASN 17 ILE 18 VAL 19 ASP 20 VAL 21 GLN 22 TYR 23 MET 24 TYR 25 GLY 26 LEU 27 SER 28 PRO 29 ALA 30 ILE 31 THR 32 LYS 33 TYR 34 VAL 35 VAL 36 ARG 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 2KZQ "S34r Structure" 100.00 36 100.00 100.00 3.79e-16 DBJ BAA00969 "structural protein, partial [Hepatitis C virus]" 100.00 737 97.22 100.00 4.75e-15 DBJ BAB32872 "polyprotein [Hepatitis C virus (isolate JFH-1)] [Hepatitis C virus JFH-1]" 100.00 3033 100.00 100.00 7.42e-15 DBJ BAB32875 "polyprotein [Hepatitis C virus]" 100.00 3033 97.22 100.00 1.74e-14 DBJ BAB32876 "polyprotein [Hepatitis C virus]" 100.00 3032 97.22 100.00 1.71e-14 DBJ BAB32877 "polyprotein [Hepatitis C virus]" 100.00 3033 97.22 100.00 1.97e-14 GB AAF25611 "polyprotein [Hepatitis C virus subtype 2a]" 100.00 3032 97.22 97.22 4.77e-14 GB AAF59943 "polyprotein [Hepatitis C virus subtype 2a]" 100.00 3033 97.22 100.00 1.95e-14 GB AAF59944 "polyprotein [Hepatitis C virus subtype 2a]" 100.00 3033 97.22 100.00 1.95e-14 GB ABP88215 "envelope glycoprotein [synthetic construct]" 100.00 584 97.22 100.00 3.85e-15 GB ADU33368 "polyprotein [Hepatitis C virus]" 100.00 3033 97.22 100.00 2.28e-14 SP P27960 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 737 97.22 100.00 4.75e-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 7.42e-15 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $s34r 'hepatitris C virus' 00.026.0.03.001. 11103 virus . Hepacivirus 'hepatitris C virus' 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 $s34r '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 trifluoroethanol 50 % 'natural abundance' H2O 50 % 'natural abundance' DSS 0.01 % 'natural abundance' $s34r 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_ ######################### # 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-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 . K pH 6 . 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 na 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '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 s34r _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 SER HA H 4.22 0.01 1 2 1 1 SER HB2 H 4.05 0.01 1 3 1 1 SER HB3 H 4.05 0.01 1 4 1 1 SER CA C 58.00 0.01 1 5 1 1 SER CB C 63.71 0.01 1 6 2 2 ASP H H 8.73 0.01 1 7 2 2 ASP HA H 4.97 0.01 1 8 2 2 ASP HB2 H 3.03 0.01 2 9 2 2 ASP HB3 H 2.86 0.01 2 10 2 2 ASP CA C 53.42 0.01 1 11 2 2 ASP CB C 39.03 0.01 1 12 3 3 LEU H H 8.17 0.01 1 13 3 3 LEU HA H 4.55 0.01 1 14 3 3 LEU HB2 H 1.73 0.01 2 15 3 3 LEU HB3 H 1.67 0.01 2 16 3 3 LEU HD1 H 1.01 0.01 2 17 3 3 LEU HD2 H 0.97 0.01 2 18 3 3 LEU CA C 57.05 0.01 1 19 3 3 LEU CB C 41.65 0.01 1 20 3 3 LEU CD1 C 24.86 0.01 2 21 3 3 LEU CD2 C 25.11 0.01 2 22 4 4 PRO HA H 4.38 0.01 1 23 4 4 PRO HB2 H 2.38 0.01 2 24 4 4 PRO HB3 H 1.95 0.01 2 25 4 4 PRO HD2 H 3.81 0.01 2 26 4 4 PRO HD3 H 3.74 0.01 2 27 4 4 PRO HG2 H 2.17 0.01 2 28 4 4 PRO HG3 H 2.01 0.01 2 29 4 4 PRO CA C 65.96 0.01 1 30 4 4 PRO CB C 31.99 0.01 1 31 4 4 PRO CD C 51.14 0.01 1 32 4 4 PRO CG C 28.43 0.01 1 33 5 5 ALA H H 7.78 0.01 1 34 5 5 ALA HA H 4.25 0.01 1 35 5 5 ALA HB H 1.51 0.01 1 36 5 5 ALA CA C 54.96 0.01 1 37 5 5 ALA CB C 18.90 0.01 1 38 6 6 LEU H H 7.99 0.01 1 39 6 6 LEU HA H 4.28 0.01 1 40 6 6 LEU HB2 H 1.75 0.01 1 41 6 6 LEU HB3 H 1.75 0.01 1 42 6 6 LEU HD1 H 0.93 0.01 1 43 6 6 LEU HD2 H 0.93 0.01 1 44 6 6 LEU CA C 58.02 0.01 1 45 6 6 LEU CB C 43.05 0.01 1 46 6 6 LEU CD1 C 23.39 0.01 2 47 7 7 SER H H 8.25 0.01 1 48 7 7 SER HA H 4.24 0.01 1 49 7 7 SER CA C 61.86 0.01 1 50 8 8 THR H H 7.95 0.01 1 51 8 8 THR HA H 4.08 0.01 1 52 8 8 THR HB H 4.31 0.01 1 53 8 8 THR HG2 H 1.32 0.01 1 54 8 8 THR CA C 66.70 0.01 1 55 8 8 THR CB C 69.60 0.01 1 56 8 8 THR CG2 C 22.13 0.01 1 57 9 9 GLY H H 8.25 0.01 1 58 9 9 GLY HA2 H 3.96 0.01 1 59 9 9 GLY HA3 H 3.96 0.01 1 60 9 9 GLY CA C 47.95 0.01 1 61 10 10 LEU H H 8.28 0.01 1 62 10 10 LEU HA H 4.24 0.01 1 63 10 10 LEU HB2 H 1.94 0.01 2 64 10 10 LEU HB3 H 1.61 0.01 2 65 10 10 LEU HD1 H 0.98 0.01 2 66 10 10 LEU HD2 H 0.94 0.01 2 67 10 10 LEU CA C 58.73 0.01 1 68 10 10 LEU CB C 42.63 0.01 1 69 10 10 LEU CD1 C 24.48 0.01 2 70 10 10 LEU CD2 C 24.19 0.01 2 71 11 11 LEU H H 8.16 0.01 1 72 11 11 LEU HA H 4.19 0.01 1 73 11 11 LEU HB2 H 1.91 0.01 2 74 11 11 LEU HB3 H 1.68 0.01 2 75 11 11 LEU HD2 H 0.90 0.01 2 76 11 11 LEU HG H 1.77 0.01 1 77 11 11 LEU CA C 58.59 0.01 1 78 11 11 LEU CB C 42.33 0.01 1 79 11 11 LEU CD2 C 23.86 0.01 2 80 11 11 LEU CG C 27.80 0.01 1 81 12 12 HIS H H 8.20 0.01 1 82 12 12 HIS HA H 4.49 0.01 1 83 12 12 HIS HB2 H 3.44 0.01 1 84 12 12 HIS HB3 H 3.44 0.01 1 85 12 12 HIS HD2 H 7.40 0.01 1 86 12 12 HIS HE1 H 8.59 0.01 1 87 12 12 HIS CA C 59.38 0.01 1 88 12 12 HIS CB C 28.65 0.01 1 89 12 12 HIS CD2 C 120.84 0.01 1 90 12 12 HIS CE1 C 137.01 0.01 1 91 13 13 LEU H H 8.44 0.01 1 92 13 13 LEU HA H 4.22 0.01 1 93 13 13 LEU HB2 H 1.94 0.01 2 94 13 13 LEU HB3 H 1.84 0.01 2 95 13 13 LEU HD1 H 1.00 0.01 2 96 13 13 LEU HD2 H 0.95 0.01 2 97 13 13 LEU HG H 1.74 0.01 1 98 13 13 LEU CA C 59.10 0.01 1 99 13 13 LEU CB C 42.59 0.01 1 100 13 13 LEU CD1 C 24.01 0.01 2 101 13 13 LEU CD2 C 24.81 0.01 2 102 13 13 LEU CG C 27.82 0.01 1 103 14 14 HIS H H 8.58 0.01 1 104 14 14 HIS HA H 4.26 0.01 1 105 14 14 HIS HB2 H 3.44 0.01 1 106 14 14 HIS HB3 H 3.44 0.01 1 107 14 14 HIS HD2 H 7.28 0.01 1 108 14 14 HIS HE1 H 8.51 0.01 1 109 14 14 HIS CA C 58.77 0.01 1 110 14 14 HIS CB C 28.65 0.01 1 111 14 14 HIS CD2 C 120.68 0.01 1 112 14 14 HIS CE1 C 136.74 0.01 1 113 15 15 GLN H H 8.23 0.01 1 114 15 15 GLN HA H 3.99 0.01 1 115 15 15 GLN HB2 H 2.30 0.01 2 116 15 15 GLN HB3 H 2.22 0.01 2 117 15 15 GLN HE21 H 7.27 0.01 2 118 15 15 GLN HE22 H 6.63 0.01 2 119 15 15 GLN HG2 H 2.50 0.01 2 120 15 15 GLN HG3 H 2.45 0.01 2 121 15 15 GLN CA C 59.12 0.01 1 122 15 15 GLN CB C 29.27 0.01 1 123 15 15 GLN CG C 34.50 0.01 1 124 16 16 ASN H H 8.15 0.01 1 125 16 16 ASN HA H 4.54 0.01 1 126 16 16 ASN HB2 H 3.04 0.01 2 127 16 16 ASN HB3 H 2.87 0.01 2 128 16 16 ASN HD21 H 7.05 0.01 2 129 16 16 ASN HD22 H 6.62 0.01 2 130 16 16 ASN CA C 56.82 0.01 1 131 16 16 ASN CB C 38.88 0.01 1 132 17 17 ILE H H 8.11 0.01 1 133 17 17 ILE HA H 3.83 0.01 1 134 17 17 ILE HB H 1.97 0.01 1 135 17 17 ILE HD1 H 0.87 0.01 1 136 17 17 ILE HG12 H 1.77 0.01 2 137 17 17 ILE HG13 H 1.21 0.01 2 138 17 17 ILE HG2 H 0.93 0.01 1 139 17 17 ILE CA C 65.53 0.01 1 140 17 17 ILE CB C 38.82 0.01 1 141 17 17 ILE CD1 C 13.17 0.01 1 142 17 17 ILE CG1 C 29.38 0.01 1 143 17 17 ILE CG2 C 17.51 0.01 1 144 18 18 VAL H H 7.93 0.01 1 145 18 18 VAL HA H 3.74 0.01 1 146 18 18 VAL HB H 2.13 0.01 1 147 18 18 VAL HG1 H 0.95 0.01 2 148 18 18 VAL HG2 H 0.91 0.01 2 149 18 18 VAL CA C 66.84 0.01 1 150 18 18 VAL CB C 32.36 0.01 1 151 18 18 VAL CG1 C 21.61 0.01 2 152 18 18 VAL CG2 C 22.52 0.01 2 153 19 19 ASP H H 8.24 0.01 1 154 19 19 ASP HA H 4.58 0.01 1 155 19 19 ASP HB2 H 3.24 0.01 2 156 19 19 ASP HB3 H 2.93 0.01 2 157 19 19 ASP CA C 56.59 0.01 1 158 19 19 ASP CB C 38.09 0.01 1 159 20 20 VAL H H 8.19 0.01 1 160 20 20 VAL HA H 3.84 0.01 1 161 20 20 VAL HB H 2.30 0.01 1 162 20 20 VAL HG1 H 1.15 0.01 2 163 20 20 VAL HG2 H 1.01 0.01 2 164 20 20 VAL CA C 67.25 0.01 1 165 20 20 VAL CB C 32.53 0.01 1 166 20 20 VAL CG1 C 22.84 0.01 2 167 20 20 VAL CG2 C 21.64 0.01 2 168 21 21 GLN H H 8.23 0.01 1 169 21 21 GLN HA H 4.06 0.01 1 170 21 21 GLN HB2 H 2.29 0.01 2 171 21 21 GLN HB3 H 2.12 0.01 2 172 21 21 GLN HE21 H 6.87 0.01 2 173 21 21 GLN HE22 H 6.41 0.01 2 174 21 21 GLN HG2 H 2.54 0.01 2 175 21 21 GLN HG3 H 2.34 0.01 2 176 21 21 GLN CA C 59.78 0.01 1 177 21 21 GLN CB C 28.98 0.01 1 178 21 21 GLN CG C 34.81 0.01 1 179 22 22 TYR H H 8.40 0.01 1 180 22 22 TYR HA H 4.39 0.01 1 181 22 22 TYR HB2 H 3.21 0.01 1 182 22 22 TYR HB3 H 3.21 0.01 1 183 22 22 TYR HD1 H 7.16 0.01 3 184 22 22 TYR HD2 H 7.16 0.01 3 185 22 22 TYR HE1 H 6.82 0.01 3 186 22 22 TYR HE2 H 6.82 0.01 3 187 22 22 TYR CA C 61.29 0.01 1 188 22 22 TYR CB C 39.04 0.01 1 189 22 22 TYR CD1 C 133.68 0.01 3 190 22 22 TYR CD2 C 133.68 0.01 3 191 22 22 TYR CE1 C 118.86 0.01 3 192 22 22 TYR CE2 C 118.86 0.01 3 193 23 23 MET H H 8.27 0.01 1 194 23 23 MET HA H 4.19 0.01 1 195 23 23 MET HB2 H 2.19 0.01 2 196 23 23 MET HB3 H 2.00 0.01 2 197 23 23 MET HE H 2.06 0.01 1 198 23 23 MET HG2 H 2.64 0.01 2 199 23 23 MET HG3 H 2.55 0.01 2 200 23 23 MET CA C 59.03 0.01 1 201 23 23 MET CB C 33.06 0.01 1 202 23 23 MET CE C 16.85 0.01 1 203 23 23 MET CG C 32.88 0.01 1 204 24 24 TYR H H 8.42 0.01 1 205 24 24 TYR HA H 4.46 0.01 1 206 24 24 TYR HB2 H 3.20 0.01 2 207 24 24 TYR HB3 H 3.08 0.01 2 208 24 24 TYR HD1 H 7.20 0.01 3 209 24 24 TYR HD2 H 7.20 0.01 3 210 24 24 TYR HE1 H 6.85 0.01 3 211 24 24 TYR HE2 H 6.85 0.01 3 212 24 24 TYR CA C 60.45 0.01 1 213 24 24 TYR CB C 39.04 0.01 1 214 24 24 TYR CD1 C 133.70 0.01 3 215 24 24 TYR CD2 C 133.70 0.01 3 216 24 24 TYR CE1 C 118.90 0.01 3 217 24 24 TYR CE2 C 118.90 0.01 3 218 25 25 GLY H H 8.00 0.01 1 219 25 25 GLY HA2 H 3.98 0.01 1 220 25 25 GLY HA3 H 3.98 0.01 1 221 25 25 GLY CA C 46.63 0.01 1 222 26 26 LEU H H 7.80 0.01 1 223 26 26 LEU HA H 4.44 0.01 1 224 26 26 LEU HB2 H 1.75 0.01 2 225 26 26 LEU HB3 H 1.65 0.01 2 226 26 26 LEU HD1 H 0.92 0.01 2 227 26 26 LEU HD2 H 0.88 0.01 2 228 26 26 LEU CA C 56.09 0.01 1 229 26 26 LEU CB C 43.46 0.01 1 230 26 26 LEU CD1 C 25.13 0.01 2 231 26 26 LEU CD2 C 23.58 0.01 2 232 27 27 SER H H 7.89 0.01 1 233 27 27 SER HA H 4.57 0.01 1 234 27 27 SER CA C 60.17 0.01 1 235 28 28 PRO HA H 4.44 0.01 1 236 28 28 PRO HB2 H 2.38 0.01 2 237 28 28 PRO HB3 H 1.92 0.01 2 238 28 28 PRO HD2 H 3.90 0.01 2 239 28 28 PRO HD3 H 3.71 0.01 2 240 28 28 PRO HG2 H 2.11 0.01 2 241 28 28 PRO HG3 H 2.00 0.01 2 242 28 28 PRO CA C 65.87 0.01 1 243 28 28 PRO CB C 32.22 0.01 1 244 28 28 PRO CD C 51.58 0.01 1 245 28 28 PRO CG C 28.36 0.01 1 246 29 29 ALA H H 7.75 0.01 1 247 29 29 ALA HA H 4.21 0.01 1 248 29 29 ALA HB H 1.49 0.01 1 249 29 29 ALA CA C 55.26 0.01 1 250 29 29 ALA CB C 18.91 0.01 1 251 30 30 ILE H H 7.84 0.01 1 252 30 30 ILE HA H 4.10 0.01 1 253 30 30 ILE HB H 2.03 0.01 1 254 30 30 ILE HD1 H 0.93 0.01 1 255 30 30 ILE HG12 H 1.64 0.01 2 256 30 30 ILE HG13 H 1.33 0.01 2 257 30 30 ILE HG2 H 1.02 0.01 1 258 30 30 ILE CA C 64.08 0.01 1 259 30 30 ILE CB C 39.27 0.01 1 260 30 30 ILE CD1 C 13.12 0.01 1 261 30 30 ILE CG1 C 28.97 0.01 1 262 30 30 ILE CG2 C 17.91 0.01 1 263 31 31 THR H H 7.98 0.01 1 264 31 31 THR HA H 3.99 0.01 1 265 31 31 THR HB H 4.27 0.01 1 266 31 31 THR HG2 H 1.28 0.01 1 267 31 31 THR CA C 66.33 0.01 1 268 31 31 THR CB C 69.81 0.01 1 269 31 31 THR CG2 C 22.10 0.01 1 270 32 32 LYS H H 7.71 0.01 1 271 32 32 LYS HA H 4.08 0.01 1 272 32 32 LYS HB2 H 1.79 0.01 2 273 32 32 LYS HB3 H 1.72 0.01 2 274 32 32 LYS HD2 H 1.61 0.01 1 275 32 32 LYS HD3 H 1.61 0.01 1 276 32 32 LYS HE2 H 2.91 0.01 1 277 32 32 LYS HE3 H 2.91 0.01 1 278 32 32 LYS HG2 H 1.25 0.01 1 279 32 32 LYS HG3 H 1.25 0.01 1 280 32 32 LYS HZ H 7.56 0.01 1 281 32 32 LYS CA C 59.24 0.01 1 282 32 32 LYS CB C 32.97 0.01 1 283 32 32 LYS CD C 29.81 0.01 1 284 32 32 LYS CE C 42.75 0.01 1 285 32 32 LYS CG C 25.42 0.01 1 286 33 33 TYR H H 7.79 0.01 1 287 33 33 TYR HA H 4.47 0.01 1 288 33 33 TYR HB2 H 3.25 0.01 2 289 33 33 TYR HB3 H 3.06 0.01 2 290 33 33 TYR HD1 H 7.19 0.01 3 291 33 33 TYR HD2 H 7.19 0.01 3 292 33 33 TYR HE1 H 6.84 0.01 3 293 33 33 TYR HE2 H 6.84 0.01 3 294 33 33 TYR CA C 60.43 0.01 1 295 33 33 TYR CB C 39.46 0.01 1 296 33 33 TYR CD1 C 133.68 0.01 3 297 33 33 TYR CD2 C 133.68 0.01 3 298 33 33 TYR CE1 C 118.90 0.01 3 299 33 33 TYR CE2 C 118.90 0.01 3 300 34 34 VAL H H 7.95 0.01 1 301 34 34 VAL HA H 3.99 0.01 1 302 34 34 VAL HB H 2.25 0.01 1 303 34 34 VAL HG1 H 1.08 0.01 2 304 34 34 VAL HG2 H 0.99 0.01 2 305 34 34 VAL CA C 65.18 0.01 1 306 34 34 VAL CB C 33.36 0.01 1 307 34 34 VAL CG1 C 21.72 0.01 2 308 34 34 VAL CG2 C 21.45 0.01 2 309 35 35 VAL H H 7.97 0.01 1 310 35 35 VAL HA H 4.02 0.01 1 311 35 35 VAL HB H 2.22 0.01 1 312 35 35 VAL HG1 H 1.03 0.01 2 313 35 35 VAL HG2 H 0.99 0.01 2 314 35 35 VAL CA C 64.39 0.01 1 315 35 35 VAL CB C 32.77 0.01 1 316 35 35 VAL CG1 C 21.34 0.01 2 317 35 35 VAL CG2 C 21.45 0.01 2 318 36 36 ARG H H 7.80 0.01 1 319 36 36 ARG HA H 4.32 0.01 1 320 36 36 ARG HB2 H 1.94 0.01 2 321 36 36 ARG HB3 H 1.88 0.01 2 322 36 36 ARG HD2 H 3.21 0.01 1 323 36 36 ARG HD3 H 3.21 0.01 1 324 36 36 ARG HE H 7.18 0.01 1 325 36 36 ARG HG2 H 1.69 0.01 1 326 36 36 ARG HG3 H 1.69 0.01 1 327 36 36 ARG CA C 56.64 0.01 1 328 36 36 ARG CB C 31.25 0.01 1 329 36 36 ARG CD C 43.88 0.01 1 330 36 36 ARG CG C 27.89 0.01 1 stop_ save_