data_16886 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NS2 [27-59] ; _BMRB_accession_number 16886 _BMRB_flat_file_name bmr16886.str _Entry_type original _Submission_date 2010-04-21 _Accession_date 2010-04-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Hepatitis C Virus NS2 protein 27 to 59 sequence ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Montserret Roland . . 2 Bartenschlager Ralf . . 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" 216 "13C chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-19 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15579 'HCV NS2 [1-27]' 16892 'HCV NS2 [60-99]' stop_ _Original_release_date 2011-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and functional studies of nonstructural protein 2 of the hepatitis C virus reveal its key role as organizer of virion assembly.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21187906 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jirasko Vlastimil . . 2 Montserret Roland . . 3 Lee 'Ji Young' . . 4 Gouttenoire Jerome . . 5 Moradpour Darius . . 6 Penin Francois . . 7 Bartenschlager Ralf . . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_name_full 'PLoS pathogens' _Journal_volume 6 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2010 _Details . loop_ _Keyword 'Hepatitis C Virus' 'membrane protein' 'NS2 protein' 'structural and functional characterization' 'viral protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HCV NS2 [27-59]' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HCV NS2 [27-59]' $NS2 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_NS2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HCV NS2 [27-59]' _Molecular_mass 4054.897 _Mol_thiol_state 'not present' loop_ _Biological_function 'membrane protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 33 _Mol_residue_sequence ; KLFLARLIWWLQYFITRAEA HLQVWIPPLNVRG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 27 LYS 2 28 LEU 3 29 PHE 4 30 LEU 5 31 ALA 6 32 ARG 7 33 LEU 8 34 ILE 9 35 TRP 10 36 TRP 11 37 LEU 12 38 GLN 13 39 TYR 14 40 PHE 15 41 ILE 16 42 THR 17 43 ARG 18 44 ALA 19 45 GLU 20 46 ALA 21 47 HIS 22 48 LEU 23 49 GLN 24 50 VAL 25 51 TRP 26 52 ILE 27 53 PRO 28 54 PRO 29 55 LEU 30 56 ASN 31 57 VAL 32 58 ARG 33 59 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-01 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 2KWT "Solution Structure Of Ns2 [27-59]" 100.00 33 100.00 100.00 6.25e-14 DBJ BAA01728 "polyprotein precursor [Hepatitis C virus]" 100.00 3010 96.97 100.00 6.14e-14 DBJ BAB18800 "polyprotein [Hepatitis C virus]" 100.00 3010 96.97 96.97 1.65e-13 DBJ BAB18808 "polyprotein [Hepatitis C virus]" 100.00 3010 96.97 100.00 7.29e-14 DBJ BAD73970 "polyprotein, partial [Hepatitis C virus subtype 1b]" 100.00 3010 96.97 100.00 7.08e-14 DBJ BAD73971 "polyprotein, partial [Hepatitis C virus subtype 1b]" 100.00 3010 96.97 100.00 7.87e-14 EMBL CAB46677 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 100.00 100.00 2.85e-14 EMBL CAB46911 "non-structural polyprotein [Hepatitis C virus]" 100.00 2201 100.00 100.00 1.06e-14 EMBL CAB46915 "non-structural polyprotein [Hepatitis C virus]" 100.00 2201 100.00 100.00 1.06e-14 GB AAD56184 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 96.97 96.97 2.44e-13 GB AAD56185 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 96.97 96.97 2.33e-13 GB AAD56192 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 96.97 100.00 6.31e-14 GB AAD56193 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 96.97 100.00 6.44e-14 GB AAF65942 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 96.97 100.00 6.31e-14 SP P29846 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3010 96.97 100.00 4.92e-14 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 2.85e-14 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NS2 'Hepatitis C Virus' 11103 virus . Hepacivirus 'Hepatitis 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_type _Vector_name $NS2 'chemical synthesis' . none none . none none stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'mixture of 50% Trifluoro Ethanol D2OH and 50% H2O (v/v).' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS2 1.2 mM 'natural abundance' TFE 50 '% v/v' [U-2H] 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 2.19 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 'ionic strength' 0 . M pH 6 . 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 'DSS in sample for direct 1H referencing' 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 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_ _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 'HCV NS2 [27-59]' _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 27 1 LYS HA H 4.13 0.01 1 2 27 1 LYS HB2 H 1.97 0.01 1 3 27 1 LYS HB3 H 1.97 0.01 1 4 27 1 LYS HD2 H 1.80 0.01 1 5 27 1 LYS HD3 H 1.80 0.01 1 6 27 1 LYS HE2 H 3.07 0.01 1 7 27 1 LYS HE3 H 3.07 0.01 1 8 27 1 LYS HG2 H 1.56 0.01 1 9 27 1 LYS HG3 H 1.56 0.01 1 10 27 1 LYS HZ H 7.67 0.01 1 11 27 1 LYS CA C 56.62 0.01 1 12 27 1 LYS CB C 34.12 0.01 1 13 27 1 LYS CD C 29.81 0.01 1 14 27 1 LYS CE C 42.79 0.01 1 15 27 1 LYS CG C 24.96 0.01 1 16 28 2 LEU H H 8.72 0.01 1 17 28 2 LEU HA H 4.46 0.01 1 18 28 2 LEU HB2 H 1.73 0.01 1 19 28 2 LEU HB3 H 1.73 0.01 1 20 28 2 LEU HD1 H 0.99 0.01 1 21 28 2 LEU HD2 H 0.99 0.01 1 22 28 2 LEU CA C 56.66 0.06 1 23 28 2 LEU CB C 43.22 0.01 1 24 29 3 PHE H H 8.32 0.01 1 25 29 3 PHE HA H 4.59 0.01 1 26 29 3 PHE HB2 H 3.21 0.01 2 27 29 3 PHE HB3 H 3.25 0.01 2 28 29 3 PHE HD1 H 7.31 0.01 1 29 29 3 PHE HD2 H 7.31 0.01 1 30 29 3 PHE CB C 39.80 0.03 1 31 29 3 PHE CD1 C 132.5 0.01 1 32 29 3 PHE CD2 C 132.5 0.01 1 33 30 4 LEU H H 7.67 0.01 1 34 30 4 LEU HA H 4.14 0.01 1 35 30 4 LEU HB2 H 1.66 0.01 2 36 30 4 LEU HB3 H 1.71 0.01 2 37 30 4 LEU HD1 H 1.03 0.01 1 38 30 4 LEU HD2 H 1.03 0.01 1 39 30 4 LEU CA C 58.37 0.01 1 40 30 4 LEU CB C 43.17 0.01 1 41 30 4 LEU CD1 C 24.29 0.01 1 42 30 4 LEU CD2 C 24.29 0.01 1 43 31 5 ALA H H 7.61 0.01 1 44 31 5 ALA HA H 4.06 0.01 1 45 31 5 ALA HB H 1.45 0.01 1 46 31 5 ALA CA C 56.15 0.01 1 47 31 5 ALA CB C 18.79 0.01 1 48 32 6 ARG H H 7.60 0.01 1 49 32 6 ARG HA H 4.20 0.01 1 50 32 6 ARG HB2 H 1.97 0.01 1 51 32 6 ARG HB3 H 1.97 0.01 1 52 32 6 ARG HD2 H 3.22 0.01 1 53 32 6 ARG HD3 H 3.22 0.01 1 54 32 6 ARG HE H 7.16 0.01 1 55 32 6 ARG HG2 H 1.76 0.01 2 56 32 6 ARG HG3 H 1.84 0.01 2 57 32 6 ARG CA C 59.63 0.01 1 58 32 6 ARG CB C 30.92 0.01 1 59 32 6 ARG CD C 44.18 0.01 1 60 32 6 ARG CG C 28.25 0.01 1 61 33 7 LEU H H 7.69 0.01 1 62 33 7 LEU HA H 4.41 0.01 1 63 33 7 LEU HB2 H 2.00 0.01 1 64 33 7 LEU HB3 H 2.00 0.01 1 65 33 7 LEU HD1 H 0.96 0.01 1 66 33 7 LEU HD2 H 0.96 0.01 1 67 33 7 LEU CA C 58.85 0.01 1 68 33 7 LEU CB C 42.94 0.01 1 69 34 8 ILE H H 8.20 0.01 1 70 34 8 ILE HA H 3.84 0.01 1 71 34 8 ILE HB H 2.00 0.01 1 72 34 8 ILE HD1 H 0.89 0.01 1 73 34 8 ILE HG12 H 1.32 0.01 2 74 34 8 ILE HG13 H 1.75 0.01 2 75 34 8 ILE HG2 H 0.98 0.01 1 76 34 8 ILE CA C 65.76 0.01 1 77 34 8 ILE CB C 38.42 0.01 1 78 34 8 ILE CD1 C 13.03 0.01 1 79 34 8 ILE CG1 C 29.69 0.02 1 80 34 8 ILE CG2 C 17.77 0.01 1 81 35 9 TRP H H 8.14 0.01 1 82 35 9 TRP HA H 4.21 0.01 1 83 35 9 TRP HB2 H 3.42 0.01 2 84 35 9 TRP HB3 H 3.53 0.01 2 85 35 9 TRP HD1 H 7.05 0.01 1 86 35 9 TRP HE1 H 9.43 0.01 1 87 35 9 TRP HE3 H 7.11 0.01 1 88 35 9 TRP HH2 H 6.83 0.01 1 89 35 9 TRP HZ2 H 7.28 0.01 1 90 35 9 TRP HZ3 H 7.11 0.01 1 91 35 9 TRP CA C 62.92 0.01 1 92 35 9 TRP CB C 29.80 0.01 1 93 35 9 TRP CD1 C 127.35 0.01 1 94 35 9 TRP CE3 C 121.4 0.01 1 95 35 9 TRP CH2 C 125.1 0.01 1 96 35 9 TRP CZ2 C 114.72 0.01 1 97 35 9 TRP CZ3 C 122.6 0.01 1 98 36 10 TRP H H 8.34 0.01 1 99 36 10 TRP HA H 4.37 0.01 1 100 36 10 TRP HB2 H 3.56 0.01 1 101 36 10 TRP HB3 H 3.56 0.01 1 102 36 10 TRP HD1 H 7.33 0.01 1 103 36 10 TRP HE1 H 9.51 0.01 1 104 36 10 TRP HE3 H 7.58 0.01 1 105 36 10 TRP HH2 H 7.11 0.01 1 106 36 10 TRP HZ2 H 7.38 0.01 1 107 36 10 TRP HZ3 H 6.85 0.01 1 108 36 10 TRP CA C 61.83 0.01 1 109 36 10 TRP CB C 29.95 0.01 1 110 36 10 TRP CD1 C 127.50 0.01 1 111 36 10 TRP CE3 C 122.0 0.01 1 112 36 10 TRP CH2 C 125.2 0.01 1 113 36 10 TRP CZ2 C 114.92 0.01 1 114 36 10 TRP CZ3 C 122.7 0.01 1 115 37 11 LEU H H 8.80 0.01 1 116 37 11 LEU HA H 4.18 0.01 1 117 37 11 LEU HB2 H 1.72 0.01 2 118 37 11 LEU HB3 H 2.01 0.01 2 119 37 11 LEU HD1 H 1.00 0.01 1 120 37 11 LEU HD2 H 1.00 0.01 1 121 37 11 LEU CB C 42.89 0.01 1 122 38 12 GLN H H 8.38 0.01 1 123 38 12 GLN HA H 3.97 0.01 1 124 38 12 GLN HB2 H 2.00 0.01 2 125 38 12 GLN HB3 H 2.22 0.01 2 126 38 12 GLN HG2 H 2.24 0.01 2 127 38 12 GLN HG3 H 2.63 0.01 2 128 38 12 GLN CA C 60.24 0.01 1 129 38 12 GLN CB C 29.08 0.02 1 130 38 12 GLN CG C 35.08 0.01 1 131 39 13 TYR H H 8.20 0.01 1 132 39 13 TYR HA H 3.85 0.01 1 133 39 13 TYR HB2 H 2.35 0.01 2 134 39 13 TYR HB3 H 2.95 0.01 2 135 39 13 TYR HD1 H 6.72 0.01 1 136 39 13 TYR HD2 H 6.72 0.01 1 137 39 13 TYR HE1 H 6.76 0.01 1 138 39 13 TYR HE2 H 6.76 0.01 1 139 39 13 TYR CA C 62.39 0.01 1 140 39 13 TYR CB C 38.76 0.01 1 141 39 13 TYR CD1 C 134.1 0.01 1 142 39 13 TYR CD2 C 134.1 0.01 1 143 39 13 TYR CE1 C 118.4 0.01 1 144 39 13 TYR CE2 C 118.4 0.01 1 145 40 14 PHE H H 8.68 0.01 1 146 40 14 PHE HA H 3.98 0.01 1 147 40 14 PHE HB2 H 2.84 0.01 2 148 40 14 PHE HB3 H 3.09 0.01 2 149 40 14 PHE HD1 H 7.24 0.01 1 150 40 14 PHE HD2 H 7.24 0.01 1 151 40 14 PHE CA C 62.66 0.01 1 152 40 14 PHE CB C 39.72 0.01 1 153 40 14 PHE CD1 C 132.5 0.01 1 154 40 14 PHE CD2 C 132.5 0.01 1 155 41 15 ILE H H 8.83 0.01 1 156 41 15 ILE HA H 3.67 0.01 1 157 41 15 ILE HB H 1.94 0.01 1 158 41 15 ILE HD1 H 0.88 0.01 1 159 41 15 ILE HG12 H 1.22 0.01 2 160 41 15 ILE HG13 H 1.91 0.01 2 161 41 15 ILE HG2 H 0.91 0.01 1 162 41 15 ILE CA C 66.19 0.01 1 163 41 15 ILE CB C 38.88 0.01 1 164 41 15 ILE CD1 C 12.68 0.01 1 165 41 15 ILE CG1 C 30.08 0.01 1 166 41 15 ILE CG2 C 17.59 0.01 1 167 42 16 THR H H 8.00 0.01 1 168 42 16 THR HA H 3.93 0.01 1 169 42 16 THR HB H 4.19 0.01 1 170 42 16 THR HG2 H 1.26 0.01 1 171 42 16 THR CA C 67.56 0.01 1 172 42 16 THR CB C 69.89 0.01 1 173 42 16 THR CG2 C 21.86 0.01 1 174 43 17 ARG H H 7.79 0.01 1 175 43 17 ARG HA H 3.94 0.01 1 176 43 17 ARG HB2 H 1.66 0.01 2 177 43 17 ARG HB3 H 1.72 0.01 2 178 43 17 ARG HD2 H 2.87 0.01 1 179 43 17 ARG HD3 H 2.87 0.01 1 180 43 17 ARG HE H 6.96 0.01 1 181 43 17 ARG HG2 H 1.41 0.01 2 182 43 17 ARG HG3 H 1.51 0.01 2 183 43 17 ARG CA C 59.93 0.01 1 184 43 17 ARG CB C 30.43 0.01 1 185 43 17 ARG CD C 43.83 0.01 1 186 43 17 ARG CG C 28.09 0.01 1 187 44 18 ALA H H 8.21 0.01 1 188 44 18 ALA HA H 4.08 0.01 1 189 44 18 ALA HB H 1.39 0.01 1 190 44 18 ALA CA C 56.16 0.01 1 191 44 18 ALA CB C 18.44 0.01 1 192 45 19 GLU H H 8.47 0.01 1 193 45 19 GLU HA H 4.06 0.01 1 194 45 19 GLU HB2 H 2.13 0.01 2 195 45 19 GLU HB3 H 2.23 0.01 2 196 45 19 GLU HG2 H 2.46 0.01 2 197 45 19 GLU HG3 H 2.69 0.01 2 198 45 19 GLU CA C 59.35 0.01 1 199 45 19 GLU CB C 28.87 0.05 1 200 45 19 GLU CG C 33.87 0.04 1 201 46 20 ALA H H 7.91 0.01 1 202 46 20 ALA HA H 4.19 0.01 1 203 46 20 ALA HB H 1.45 0.01 1 204 46 20 ALA CA C 54.90 0.01 1 205 46 20 ALA CB C 18.78 0.01 1 206 47 21 HIS H H 7.88 0.01 1 207 47 21 HIS HA H 4.51 0.01 1 208 47 21 HIS HB2 H 3.31 0.01 2 209 47 21 HIS HB3 H 3.38 0.01 2 210 47 21 HIS HD2 H 7.33 0.01 1 211 47 21 HIS HE1 H 8.52 0.01 1 212 47 21 HIS CA C 57.83 0.01 1 213 47 21 HIS CB C 29.00 0.02 1 214 47 21 HIS CD2 C 121.0 0.01 1 215 47 21 HIS CE1 C 136.68 0.01 1 216 48 22 LEU H H 7.98 0.01 1 217 48 22 LEU HA H 4.36 0.01 1 218 48 22 LEU HB2 H 1.66 0.01 2 219 48 22 LEU HB3 H 1.80 0.01 2 220 48 22 LEU HD1 H 0.93 0.01 1 221 48 22 LEU HD2 H 0.93 0.01 1 222 48 22 LEU CA C 56.92 0.01 1 223 48 22 LEU CB C 43.29 0.01 1 224 49 23 GLN H H 7.96 0.01 1 225 49 23 GLN HA H 4.28 0.01 1 226 49 23 GLN HB2 H 2.08 0.01 1 227 49 23 GLN HB3 H 2.08 0.01 1 228 49 23 GLN HE21 H 7.30 0.01 2 229 49 23 GLN HE22 H 6.57 0.01 2 230 49 23 GLN HG2 H 2.39 0.01 1 231 49 23 GLN HG3 H 2.39 0.01 1 232 49 23 GLN CA C 57.24 0.01 1 233 49 23 GLN CB C 29.93 0.01 1 234 49 23 GLN CG C 34.70 0.01 1 235 50 24 VAL H H 7.63 0.01 1 236 50 24 VAL HA H 4.15 0.01 1 237 50 24 VAL HB H 2.10 0.01 1 238 50 24 VAL HG1 H 0.91 0.01 2 239 50 24 VAL HG2 H 0.94 0.01 2 240 50 24 VAL CA C 63.35 0.01 1 241 50 24 VAL CB C 33.81 0.01 1 242 50 24 VAL CG1 C 21.55 0.01 2 243 50 24 VAL CG2 C 20.86 0.01 2 244 51 25 TRP H H 7.88 0.01 1 245 51 25 TRP HA H 4.72 0.01 1 246 51 25 TRP HB2 H 3.21 0.01 2 247 51 25 TRP HB3 H 3.30 0.01 2 248 51 25 TRP HD1 H 7.24 0.01 1 249 51 25 TRP HE1 H 9.76 0.01 1 250 51 25 TRP HE3 H 7.61 0.01 1 251 51 25 TRP HH2 H 7.21 0.01 1 252 51 25 TRP HZ2 H 7.45 0.01 1 253 51 25 TRP HZ3 H 7.11 0.01 1 254 51 25 TRP CB C 30.74 0.01 1 255 51 25 TRP CD1 C 127.63 0.01 1 256 51 25 TRP CE3 C 121.7 0.01 1 257 51 25 TRP CH2 C 125.2 0.01 1 258 51 25 TRP CZ2 C 114.90 0.01 1 259 51 25 TRP CZ3 C 122.6 0.01 1 260 52 26 ILE H H 7.38 0.01 1 261 52 26 ILE HA H 4.41 0.01 1 262 52 26 ILE HB H 1.75 0.01 1 263 52 26 ILE HD1 H 0.83 0.01 1 264 52 26 ILE HG12 H 1.08 0.01 2 265 52 26 ILE HG13 H 1.45 0.01 2 266 52 26 ILE HG2 H 0.90 0.01 1 267 52 26 ILE CA C 59.06 0.01 1 268 52 26 ILE CB C 40.06 0.01 1 269 52 26 ILE CD1 C 12.90 0.01 1 270 52 26 ILE CG1 C 27.54 0.01 1 271 52 26 ILE CG2 C 17.59 0.01 1 272 53 27 PRO HA H 4.26 0.01 1 273 53 27 PRO HB2 H 1.87 0.01 2 274 53 27 PRO HB3 H 2.26 0.01 2 275 53 27 PRO HD2 H 3.54 0.01 2 276 53 27 PRO HD3 H 3.72 0.01 2 277 53 27 PRO HG2 H 1.89 0.01 2 278 53 27 PRO HG3 H 2.04 0.01 2 279 53 27 PRO CA C 63.01 0.01 1 280 53 27 PRO CB C 31.31 0.03 1 281 53 27 PRO CD C 51.22 0.01 1 282 53 27 PRO CG C 27.75 0.01 1 283 54 28 PRO HA H 4.49 0.01 1 284 54 28 PRO HB2 H 2.06 0.01 2 285 54 28 PRO HB3 H 2.24 0.01 2 286 54 28 PRO HD2 H 3.58 0.01 2 287 54 28 PRO HD3 H 3.74 0.01 2 288 54 28 PRO HG2 H 2.16 0.09 1 289 54 28 PRO HG3 H 2.16 0.09 1 290 54 28 PRO CA C 64.17 0.01 1 291 54 28 PRO CB C 31.77 0.01 1 292 54 28 PRO CD C 51.01 0.01 1 293 54 28 PRO CG C 28.09 0.01 1 294 55 29 LEU H H 7.71 0.01 1 295 55 29 LEU HA H 4.28 0.01 1 296 55 29 LEU HB2 H 1.64 0.01 1 297 55 29 LEU HB3 H 1.64 0.01 1 298 55 29 LEU HD1 H 0.90 0.01 2 299 55 29 LEU HD2 H 0.92 0.01 2 300 55 29 LEU CA C 56.78 0.10 1 301 55 29 LEU CB C 43.43 0.01 1 302 55 29 LEU CD1 C 23.76 0.01 2 303 55 29 LEU CD2 C 23.54 0.01 2 304 56 30 ASN H H 8.22 0.01 1 305 56 30 ASN HA H 4.73 0.01 1 306 56 30 ASN HB2 H 2.77 0.01 2 307 56 30 ASN HB3 H 2.88 0.01 2 308 56 30 ASN HD21 H 6.61 0.01 2 309 56 30 ASN HD22 H 7.39 0.01 2 310 56 30 ASN CB C 39.33 0.01 1 311 57 31 VAL H H 7.70 0.01 1 312 57 31 VAL HA H 4.16 0.01 1 313 57 31 VAL HB H 2.21 0.01 1 314 57 31 VAL HG1 H 0.98 0.01 2 315 57 31 VAL HG2 H 0.99 0.01 2 316 57 31 VAL CA C 63.57 0.04 1 317 57 31 VAL CB C 33.44 0.01 1 318 57 31 VAL CG1 C 21.50 0.01 2 319 57 31 VAL CG2 C 21.02 0.01 2 320 58 32 ARG H H 7.99 0.01 1 321 58 32 ARG HA H 4.46 0.01 1 322 58 32 ARG HB2 H 1.83 0.01 2 323 58 32 ARG HB3 H 1.96 0.01 2 324 58 32 ARG HD2 H 3.23 0.01 1 325 58 32 ARG HD3 H 3.23 0.01 1 326 58 32 ARG HE H 7.14 0.01 1 327 58 32 ARG HG2 H 1.72 0.01 1 328 58 32 ARG HG3 H 1.72 0.01 1 329 58 32 ARG CA C 56.73 0.01 1 330 58 32 ARG CB C 31.81 0.01 1 331 58 32 ARG CD C 44.18 0.01 1 332 58 32 ARG CG C 27.92 0.01 1 333 59 33 GLY H H 8.00 0.01 1 334 59 33 GLY HA2 H 4.02 0.01 1 335 59 33 GLY HA3 H 4.02 0.01 1 336 59 33 GLY CA C 44.66 0.01 1 stop_ save_