data_15559 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NS4A(40-69) ; _BMRB_accession_number 15559 _BMRB_flat_file_name bmr15559.str _Entry_type original _Submission_date 2007-11-19 _Accession_date 2007-11-19 _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" 188 "13C chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-26 update BMRB 'complete entry citation' 2009-05-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification of a novel determinant for membrane association in hepatitis C virus nonstructural protein 4B' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19357161 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gouttenoire Jerome . . 2 Castet Valerie . . 3 Montserret Roland . . 4 Arora Naveen . . 5 Raussens Vincent . . 6 Ruysschaert Jean-Marie . . 7 Diesis Eric . . 8 Blum Hubert E. . 9 Penin Francois . . 10 Moradpour Darius . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_name_full 'Journal of virology' _Journal_volume 83 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6257 _Page_last 6268 _Year 2009 _Details . loop_ _Keyword HCV 'Membrane association' NS4B stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NS4B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $NS4B(40-69) 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(40-69) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS4B(40-69) _Molecular_mass 3601.153 _Mol_thiol_state 'not present' loop_ _Biological_function 'membrane association segment' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; QTNWQKLEVFWAKHMWNFIS GIQYLAGLST ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 THR 3 ASN 4 TRP 5 GLN 6 LYS 7 LEU 8 GLU 9 VAL 10 PHE 11 TRP 12 ALA 13 LYS 14 HIS 15 MET 16 TRP 17 ASN 18 PHE 19 ILE 20 SER 21 GLY 22 ILE 23 GLN 24 TYR 25 LEU 26 ALA 27 GLY 28 LEU 29 SER 30 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2JXF "The Solution Structure Of Hcv Ns4b(40-69)" 100.00 30 100.00 100.00 2.69e-12 GB AAA45534 "polyprotein [Hepatitis C virus subtype 1a]" 100.00 3011 100.00 100.00 9.38e-13 GB AAB00217 "NS4 protein, partial [Hepatitis C virus]" 70.00 198 100.00 100.00 6.61e-06 GB AAB00219 "NS4 protein, partial [Hepatitis C virus]" 66.67 197 100.00 100.00 5.93e-05 GB AAB00224 "NS4 protein, partial [Hepatitis C virus]" 56.67 191 100.00 100.00 1.18e-02 GB AAB66324 "polyprotein [Hepatitis C virus subtype 1a]" 100.00 3011 100.00 100.00 1.06e-12 REF NP_671491 "polyprotein [Hepatitis C virus]" 100.00 3011 100.00 100.00 1.06e-12 REF NP_751926 "NS4B protein [Hepatitis C virus]" 100.00 261 100.00 100.00 1.20e-12 SP P27958 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3011 100.00 100.00 9.38e-13 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 $NS4B(40-69) . 11103 . Viruses Hepatitis "C Virus" 'Hepatitis C virus' 'genotype 1a' 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 _Details $NS4B(40-69) 'chemical synthesis' . none none . none 'Free N and C termini' 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 $NS4B(40-69) 1 mM 'natural abundance' 'Trifluoro Ethanol D2OH' 50 '% v/v' 'natural abundance' H2O 50 '% v/v' '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_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _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 pH 6.5 . 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 'direct reference to internal DSS' 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 _Reference_correction_type _Correction_value DSS C 13 'methyl carbon' ppm 0 internal direct none none none 1.0 none 0 DSS H 1 'methyl protons' ppm 0 internal direct none none none 1.0 none 0 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' 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 entity _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 GLN H H 7.80 0.01 1 2 1 1 GLN HA H 4.41 0.01 1 3 1 1 GLN HB2 H 2.12 0.01 2 4 1 1 GLN HB3 H 2.46 0.01 2 5 1 1 GLN HG2 H 2.38 0.01 1 6 1 1 GLN HG3 H 2.38 0.01 1 7 1 1 GLN CB C 27.68 0.03 1 8 1 1 GLN CG C 31.68 0.03 1 9 2 2 THR H H 8.35 0.01 1 10 2 2 THR HA H 4.40 0.01 1 11 2 2 THR HB H 4.32 0.01 1 12 2 2 THR HG2 H 1.22 0.01 1 13 2 2 THR CG2 C 21.22 0.03 1 14 3 3 ASN H H 8.72 0.01 1 15 3 3 ASN HA H 4.59 0.01 1 16 3 3 ASN HB2 H 2.85 0.01 1 17 3 3 ASN HB3 H 2.85 0.01 1 18 3 3 ASN CB C 37.44 0.03 1 19 4 4 TRP H H 7.79 0.01 1 20 4 4 TRP HA H 4.54 0.01 1 21 4 4 TRP HB2 H 3.33 0.01 2 22 4 4 TRP HB3 H 3.39 0.01 2 23 4 4 TRP HD1 H 7.32 0.01 1 24 4 4 TRP HE3 H 7.57 0.01 1 25 4 4 TRP HZ2 H 7.51 0.01 1 26 4 4 TRP HZ3 H 7.17 0.01 1 27 4 4 TRP HH2 H 7.26 0.01 1 28 4 4 TRP CB C 28.71 0.03 1 29 4 4 TRP CD1 C 126.97 0.03 1 30 4 4 TRP CE3 C 120.72 0.03 1 31 4 4 TRP CZ2 C 114.45 0.03 1 32 4 4 TRP CZ3 C 122.27 0.03 1 33 4 4 TRP CH2 C 124.77 0.03 1 34 5 5 GLN H H 7.73 0.01 1 35 5 5 GLN HA H 3.98 0.01 1 36 5 5 GLN HB2 H 1.97 0.01 2 37 5 5 GLN HB3 H 2.15 0.01 2 38 5 5 GLN HG2 H 1.97 0.01 2 39 5 5 GLN HG3 H 2.24 0.01 2 40 5 5 GLN CB C 28.39 0.03 1 41 5 5 GLN CG C 34.51 0.03 1 42 6 6 LYS H H 7.82 0.01 1 43 6 6 LYS HA H 3.98 0.01 1 44 6 6 LYS HB2 H 1.95 0.01 2 45 6 6 LYS HB3 H 1.88 0.01 2 46 6 6 LYS HD2 H 1.73 0.01 1 47 6 6 LYS HD3 H 1.73 0.01 1 48 6 6 LYS HE2 H 2.95 0.01 1 49 6 6 LYS HE3 H 2.95 0.01 1 50 6 6 LYS HG2 H 1.39 0.01 2 51 6 6 LYS HG3 H 1.64 0.01 2 52 6 6 LYS HZ H 7.62 0.01 1 53 6 6 LYS CB C 32.44 0.03 1 54 6 6 LYS CD C 29.71 0.03 1 55 6 6 LYS CE C 42.14 0.03 1 56 6 6 LYS CG C 25.79 0.03 1 57 7 7 LEU H H 7.82 0.01 1 58 7 7 LEU HA H 4.19 0.01 1 59 7 7 LEU HB2 H 1.72 0.01 2 60 7 7 LEU HB3 H 1.80 0.01 2 61 7 7 LEU HD1 H 0.93 0.01 1 62 7 7 LEU HD2 H 0.88 0.01 1 63 7 7 LEU HG H 1.72 0.01 1 64 7 7 LEU CA C 57.96 0.03 1 65 7 7 LEU CB C 41.81 0.03 1 66 7 7 LEU CD1 C 24.37 0.03 2 67 7 7 LEU CD2 C 23.44 0.03 2 68 7 7 LEU CG C 26.98 0.03 1 69 8 8 GLU H H 8.15 0.01 1 70 8 8 GLU HA H 4.19 0.01 1 71 8 8 GLU HB2 H 2.24 0.01 2 72 8 8 GLU HB3 H 2.32 0.01 2 73 8 8 GLU HG2 H 2.44 0.01 2 74 8 8 GLU HG3 H 2.63 0.01 2 75 8 8 GLU CA C 59.70 0.03 1 76 8 8 GLU CB C 27.96 0.03 1 77 8 8 GLU CG C 33.01 0.03 1 78 9 9 VAL H H 8.03 0.01 1 79 9 9 VAL HA H 3.80 0.01 1 80 9 9 VAL HB H 2.25 0.01 1 81 9 9 VAL HG1 H 1.16 0.01 1 82 9 9 VAL HG2 H 1.02 0.01 1 83 9 9 VAL CA C 66.86 0.03 1 84 9 9 VAL CB C 34.48 0.03 1 85 9 9 VAL CG1 C 22.22 0.03 2 86 9 9 VAL CG2 C 20.82 0.03 2 87 10 10 PHE H H 8.29 0.01 1 88 10 10 PHE HA H 4.25 0.01 1 89 10 10 PHE HB2 H 3.33 0.01 2 90 10 10 PHE HB3 H 3.44 0.01 2 91 10 10 PHE HD1 H 7.12 0.01 1 92 10 10 PHE HD2 H 7.12 0.01 1 93 10 10 PHE HE1 H 7.12 0.01 1 94 10 10 PHE HE2 H 7.12 0.01 1 95 10 10 PHE HZ H 7.12 0.01 1 96 10 10 PHE CA C 61.99 0.01 1 97 10 10 PHE CB C 39.04 0.03 1 98 10 10 PHE CD1 C 131.67 0.03 1 99 10 10 PHE CD2 C 131.67 0.03 1 100 10 10 PHE CE1 C 131.06 0.03 1 101 10 10 PHE CE2 C 131.06 0.03 1 102 10 10 PHE CZ C 129.50 0.03 1 103 11 11 TRP H H 9.16 0.01 1 104 11 11 TRP HA H 4.42 0.01 1 105 11 11 TRP HB2 H 3.50 0.01 2 106 11 11 TRP HB3 H 3.58 0.01 2 107 11 11 TRP HD1 H 7.26 0.01 1 108 11 11 TRP HE3 H 7.64 0.01 1 109 11 11 TRP HH2 H 7.21 0.01 1 110 11 11 TRP HZ2 H 7.48 0.01 1 111 11 11 TRP HZ3 H 7.06 0.01 1 112 11 11 TRP CA C 61.31 0.03 1 113 11 11 TRP CB C 28.94 0.01 1 114 11 11 TRP CD1 C 126.35 0.01 1 115 11 11 TRP CE3 C 120.45 0.01 1 116 11 11 TRP CH2 C 124.41 0.01 1 117 11 11 TRP CZ2 C 114.41 0.01 1 118 11 11 TRP CZ3 C 121.63 0.01 1 119 12 12 ALA H H 8.90 0.01 1 120 12 12 ALA HA H 3.99 0.01 1 121 12 12 ALA HB H 1.66 0.01 1 122 12 12 ALA CA C 55.87 0.03 1 123 12 12 ALA CB C 17.62 0.03 1 124 13 13 LYS H H 8.56 0.01 1 125 13 13 LYS HA H 4.13 0.01 1 126 13 13 LYS HB2 H 1.95 0.01 2 127 13 13 LYS HB3 H 1.81 0.01 2 128 13 13 LYS HD2 H 1.67 0.01 1 129 13 13 LYS HD3 H 1.67 0.01 1 130 13 13 LYS HE2 H 2.94 0.01 1 131 13 13 LYS HE3 H 2.94 0.01 1 132 13 13 LYS HG2 H 1.50 0.01 2 133 13 13 LYS HG3 H 1.66 0.01 2 134 13 13 LYS HZ H 7.58 0.01 1 135 13 13 LYS CA C 58.94 0.03 1 136 13 13 LYS CB C 32.06 0.03 1 137 13 13 LYS CD C 28.96 0.03 1 138 13 13 LYS CE C 42.07 0.03 1 139 13 13 LYS CG C 25.29 0.03 1 140 14 14 HIS H H 8.00 0.01 1 141 14 14 HIS HA H 4.28 0.01 1 142 14 14 HIS HB2 H 3.01 0.01 2 143 14 14 HIS HB3 H 3.21 0.01 2 144 14 14 HIS HD2 H 6.96 0.01 1 145 14 14 HIS HE1 H 7.76 0.01 1 146 14 14 HIS CA C 59.35 0.03 1 147 14 14 HIS CB C 27.52 0.03 1 148 14 14 HIS CD2 C 119.80 0.03 1 149 14 14 HIS CE1 C 135.33 0.03 1 150 15 15 MET H H 8.45 0.01 1 151 15 15 MET HA H 4.37 0.01 1 152 15 15 MET HB2 H 1.94 0.01 2 153 15 15 MET HB3 H 1.98 0.01 2 154 15 15 MET HG2 H 2.23 0.01 2 155 15 15 MET HG3 H 2.29 0.01 2 156 15 15 MET HE H 1.99 0.01 1 157 15 15 MET CB C 30.98 0.03 1 158 15 15 MET CE C 15.77 0.03 1 159 15 15 MET CG C 31.55 0.03 1 160 16 16 TRP H H 8.55 0.01 1 161 16 16 TRP HA H 4.44 0.01 1 162 16 16 TRP HB2 H 3.38 0.01 2 163 16 16 TRP HB3 H 3.42 0.01 2 164 16 16 TRP HD1 H 7.19 0.01 1 165 16 16 TRP HE3 H 7.60 0.01 1 166 16 16 TRP HH2 H 7.22 0.01 1 167 16 16 TRP HZ2 H 7.47 0.01 1 168 16 16 TRP HZ3 H 7.12 0.01 1 169 16 16 TRP CB C 28.88 0.03 1 170 16 16 TRP CD1 C 126.49 0.03 1 171 16 16 TRP CE3 C 120.35 0.03 1 172 16 16 TRP CH2 C 124.41 0.03 1 173 16 16 TRP CZ2 C 114.37 0.03 1 174 16 16 TRP CZ3 C 121.78 0.03 1 175 17 17 ASN H H 8.15 0.01 1 176 17 17 ASN HA H 4.29 0.01 1 177 17 17 ASN HB2 H 2.77 0.01 2 178 17 17 ASN HB3 H 2.87 0.01 2 179 17 17 ASN CA C 56.39 0.03 1 180 17 17 ASN CB C 38.48 0.03 1 181 18 18 PHE H H 8.04 0.01 1 182 18 18 PHE HA H 4.36 0.01 1 183 18 18 PHE HB2 H 3.16 0.01 2 184 18 18 PHE HB3 H 3.31 0.01 2 185 18 18 PHE HD1 H 7.22 0.01 1 186 18 18 PHE HD2 H 7.22 0.01 1 187 18 18 PHE HE1 H 7.29 0.01 1 188 18 18 PHE HE2 H 7.29 0.01 1 189 18 18 PHE HZ H 7.28 0.01 1 190 18 18 PHE CB C 39.34 0.03 1 191 18 18 PHE CD1 C 131.59 0.03 1 192 18 18 PHE CD2 C 131.59 0.03 1 193 18 18 PHE CE1 C 131.09 0.03 1 194 18 18 PHE CE2 C 131.09 0.03 1 195 18 18 PHE CZ C 129.78 0.03 1 196 19 19 ILE H H 8.54 0.01 1 197 19 19 ILE HA H 3.65 0.01 1 198 19 19 ILE HB H 1.86 0.01 1 199 19 19 ILE HD1 H 0.88 0.01 1 200 19 19 ILE HG12 H 1.33 0.01 2 201 19 19 ILE HG13 H 1.76 0.01 2 202 19 19 ILE HG2 H 0.90 0.01 1 203 19 19 ILE CA C 64.28 0.03 1 204 19 19 ILE CB C 38.02 0.03 1 205 19 19 ILE CD1 C 12.09 0.03 1 206 19 19 ILE CG1 C 28.52 0.03 1 207 19 19 ILE CG2 C 16.85 0.03 1 208 20 20 SER H H 8.13 0.01 1 209 20 20 SER HA H 4.04 0.01 1 210 20 20 SER HB2 H 3.45 0.01 2 211 20 20 SER HB3 H 3.73 0.01 2 212 20 20 SER CA C 61.57 0.03 1 213 20 20 SER CB C 62.71 0.03 1 214 21 21 GLY H H 7.71 0.01 1 215 21 21 GLY HA2 H 3.93 0.01 1 216 21 21 GLY HA3 H 3.93 0.01 1 217 21 21 GLY CA C 46.77 0.03 1 218 22 22 ILE H H 7.78 0.01 1 219 22 22 ILE HA H 3.84 0.01 1 220 22 22 ILE HB H 1.91 0.01 1 221 22 22 ILE HD1 H 0.70 0.01 1 222 22 22 ILE HG12 H 1.10 0.01 2 223 22 22 ILE HG13 H 1.37 0.01 2 224 22 22 ILE HG2 H 0.85 0.01 1 225 22 22 ILE CA C 64.03 0.03 1 226 22 22 ILE CB C 37.14 0.03 1 227 22 22 ILE CD1 C 11.43 0.03 1 228 22 22 ILE CG1 C 27.84 0.03 1 229 22 22 ILE CG2 C 16.71 0.03 1 230 23 23 GLN H H 8.09 0.01 1 231 23 23 GLN HA H 3.97 0.01 1 232 23 23 GLN HB2 H 2.05 0.01 2 233 23 23 GLN HB3 H 2.16 0.01 2 234 23 23 GLN HG2 H 2.26 0.01 2 235 23 23 GLN HG3 H 2.45 0.01 2 236 23 23 GLN CB C 28.22 0.03 1 237 23 23 GLN CG C 33.99 0.03 1 238 24 24 TYR H H 7.93 0.01 1 239 24 24 TYR HA H 4.35 0.01 1 240 24 24 TYR HB2 H 3.19 0.01 2 241 24 24 TYR HB3 H 3.25 0.01 2 242 24 24 TYR HD1 H 7.14 0.01 1 243 24 24 TYR HD2 H 7.14 0.01 1 244 24 24 TYR HE1 H 6.83 0.01 1 245 24 24 TYR HE2 H 6.83 0.01 1 246 24 24 TYR CA C 60.77 0.03 1 247 24 24 TYR CB C 38.18 0.03 1 248 24 24 TYR CD1 C 132.96 0.03 1 249 24 24 TYR CD2 C 132.96 0.03 1 250 24 24 TYR CE1 C 118.09 0.03 1 251 24 24 TYR CE2 C 118.09 0.03 1 252 25 25 LEU H H 8.17 0.01 1 253 25 25 LEU HA H 4.03 0.01 1 254 25 25 LEU HB2 H 1.58 0.01 2 255 25 25 LEU HB3 H 1.92 0.01 2 256 25 25 LEU HD1 H 0.94 0.01 1 257 25 25 LEU HD2 H 0.94 0.01 1 258 25 25 LEU HG H 1.91 0.01 1 259 25 25 LEU CA C 57.53 0.03 1 260 25 25 LEU CB C 41.90 0.03 1 261 25 25 LEU CD1 C 23.85 0.03 2 262 25 25 LEU CD2 C 22.49 0.03 2 263 25 25 LEU CG C 26.80 0.03 1 264 26 26 ALA H H 8.60 0.01 1 265 26 26 ALA HA H 4.13 0.01 1 266 26 26 ALA HB H 1.48 0.01 1 267 26 26 ALA CA C 54.45 0.03 1 268 26 26 ALA CB C 17.77 0.03 1 269 27 27 GLY H H 7.88 0.01 1 270 27 27 GLY HA2 H 3.96 0.01 1 271 27 27 GLY HA3 H 3.96 0.01 1 272 27 27 GLY CA C 45.97 0.03 1 273 28 28 LEU H H 7.69 0.01 1 274 28 28 LEU HA H 4.34 0.01 1 275 28 28 LEU HB2 H 1.61 0.01 2 276 28 28 LEU HB3 H 1.79 0.01 2 277 28 28 LEU HD1 H 0.87 0.01 1 278 28 28 LEU HD2 H 0.82 0.01 1 279 28 28 LEU HG H 1.68 0.01 1 280 28 28 LEU CA C 55.93 0.03 1 281 28 28 LEU CB C 42.36 0.03 1 282 28 28 LEU CD1 C 24.77 0.03 2 283 28 28 LEU CD2 C 22.45 0.03 2 284 28 28 LEU CG C 26.49 0.03 1 285 29 29 SER H H 7.82 0.01 1 286 29 29 SER HA H 4.57 0.01 1 287 29 29 SER HB2 H 3.96 0.01 2 288 29 29 SER HB3 H 4.00 0.01 2 289 29 29 SER CB C 64.11 0.03 1 290 30 30 THR H H 7.74 0.01 1 291 30 30 THR HA H 4.55 0.01 1 292 30 30 THR HB H 4.43 0.01 1 293 30 30 THR HG2 H 1.28 0.01 1 294 30 30 THR CG2 C 21.27 0.03 1 stop_ save_