data_19059 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ns5a308 ; _BMRB_accession_number 19059 _BMRB_flat_file_name bmr19059.str _Entry_type original _Submission_date 2013-02-27 _Accession_date 2013-02-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'HCV - NS5A protein - D2 domain - 308-327 sequence' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Montserret Roland . . 2 Badillo Aurelie . . 3 Hanoulle Xavier . . 4 Lippens Guy . . 5 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" 131 "13C chemical shifts" 81 "15N chemical shifts" 14 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-03 original author . stop_ _Original_release_date 2014-03-03 save_ ############################# # Citation for this entry # ############################# save_ns5a308 _Saveframe_category entry_citation _Citation_full . _Citation_title ns5a308 _Citation_status 'in preparation' _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 Badillo Aurelie . . 3 Hanoulle Xavier . . 4 Lippens Guy . . 5 Penin Francois . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _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 ns5a308 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ns5a308 $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 2414.867 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 20 _Mol_residue_sequence ; KFPRAMPIWARPDYNPPLLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 308 LYS 2 309 PHE 3 310 PRO 4 311 ARG 5 312 ALA 6 313 MET 7 314 PRO 8 315 ILE 9 316 TRP 10 317 ALA 11 318 ARG 12 319 PRO 13 320 ASP 14 321 TYR 15 322 ASN 16 323 PRO 17 324 PRO 18 325 LEU 19 326 LEU 20 327 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2M5L Ns5a308 100.00 20 100.00 100.00 2.09e-04 DBJ BAD73970 "polyprotein, partial [Hepatitis C virus subtype 1b]" 100.00 3010 100.00 100.00 1.25e-04 DBJ BAF56924 "polyprotein, partial [Hepatitis C virus subtype 1b]" 95.00 447 100.00 100.00 2.43e-02 DBJ BAF56926 "polyprotein, partial [Hepatitis C virus subtype 1b]" 100.00 447 100.00 100.00 4.74e-03 DBJ BAF56930 "polyprotein, partial [Hepatitis C virus subtype 1b]" 100.00 447 100.00 100.00 5.75e-03 DBJ BAF56934 "polyprotein, partial [Hepatitis C virus subtype 1b]" 100.00 447 100.00 100.00 7.75e-03 EMBL CAB41950 "polyprotein [Hepatitis C virus]" 100.00 3012 100.00 100.00 1.31e-04 EMBL CAB41951 "polyprotein [Hepatitis C virus]" 95.00 3010 100.00 100.00 5.38e-04 EMBL CAB46677 "polyprotein [Hepatitis C virus subtype 1b]" 100.00 3010 100.00 100.00 1.14e-04 EMBL CAB46911 "non-structural polyprotein [Hepatitis C virus]" 100.00 2201 100.00 100.00 8.81e-05 EMBL CAB46913 "non-structural polyprotein [Hepatitis C virus]" 100.00 1985 100.00 100.00 1.02e-04 GB AAC41018 "polyprotein, partial [Hepatitis C virus]" 100.00 447 100.00 100.00 6.45e-03 GB AAG22682 "NS5A, partial [Hepatitis C virus subtype 1b]" 100.00 447 100.00 100.00 4.97e-03 GB AAG22683 "NS5A, partial [Hepatitis C virus subtype 1b]" 100.00 447 100.00 100.00 9.21e-03 GB AAG22685 "NS5A, partial [Hepatitis C virus subtype 1b]" 100.00 447 100.00 100.00 9.39e-03 GB AAG22686 "NS5A, partial [Hepatitis C virus subtype 1b]" 100.00 447 100.00 100.00 5.92e-03 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 1.14e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Organism_acronym _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Details $entity . HCV 333284 Viruses . Hepacivirus 'Hepatitis C Virus' 'con 1' 'strain con 1 - genotype 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 _Details $entity 'chemical synthesis' . none none . none 'unlabeled sample' $entity 'recombinant technology' . Escherichia coli . pt7-7 '15N 13C labeled sample' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'unlabelled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 10 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' H20 95 % 'natural abundance' D20 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'labelled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H20 95 % 'natural abundance' D20 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 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' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.30 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 600 _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-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCOCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCACB' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 40 10 mM pH 6.5 0.2 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 TSP C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ns5a308 _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 1 308 1 LYS HA H 3.88 0.01 1 2 308 1 LYS HB2 H 1.82 0.01 1 3 308 1 LYS HB3 H 1.82 0.01 1 4 308 1 LYS HG2 H 1.38 0.01 1 5 308 1 LYS HG3 H 1.38 0.01 1 6 308 1 LYS HD2 H 1.68 0.01 1 7 308 1 LYS HD3 H 1.68 0.01 1 8 308 1 LYS HE2 H 2.99 0.01 1 9 308 1 LYS HE3 H 2.99 0.01 1 10 308 1 LYS C C 175.67 0.01 1 11 308 1 LYS CA C 56.82 0.01 1 12 308 1 LYS CB C 33.14 0.01 1 13 308 1 LYS CG C 23.49 0.01 1 14 308 1 LYS CD C 28.71 0.01 1 15 308 1 LYS CE C 41.49 0.01 1 16 309 2 PHE H H 7.35 0.01 1 17 309 2 PHE HA H 4.94 0.01 1 18 309 2 PHE HB2 H 3.21 0.01 2 19 309 2 PHE HB3 H 2.96 0.01 2 20 309 2 PHE CA C 55.41 0.01 1 21 309 2 PHE CB C 39.17 0.01 1 22 309 2 PHE N N 121.84 0.01 1 23 310 3 PRO HA H 4.46 0.01 1 24 310 3 PRO HB2 H 2.29 0.01 2 25 310 3 PRO HB3 H 1.92 0.01 2 26 310 3 PRO HG2 H 2.00 0.01 1 27 310 3 PRO HG3 H 2.00 0.01 1 28 310 3 PRO HD2 H 3.84 0.01 2 29 310 3 PRO HD3 H 3.54 0.01 2 30 310 3 PRO C C 176.64 0.01 1 31 310 3 PRO CA C 63.29 0.01 1 32 310 3 PRO CB C 32.13 0.01 1 33 310 3 PRO CG C 27.43 0.01 1 34 310 3 PRO CD C 50.80 0.01 1 35 311 4 ARG H H 8.30 0.01 1 36 311 4 ARG HA H 4.29 0.01 1 37 311 4 ARG HB2 H 1.84 0.01 2 38 311 4 ARG HB3 H 1.79 0.01 2 39 311 4 ARG HG2 H 1.67 0.01 1 40 311 4 ARG HG3 H 1.67 0.01 1 41 311 4 ARG HD2 H 3.21 0.01 1 42 311 4 ARG HD3 H 3.21 0.01 1 43 311 4 ARG C C 175.96 0.01 1 44 311 4 ARG CA C 56.29 0.01 1 45 311 4 ARG CB C 30.86 0.01 1 46 311 4 ARG CG C 26.97 0.01 1 47 311 4 ARG CD C 43.31 0.01 1 48 311 4 ARG N N 121.38 0.01 1 49 312 5 ALA H H 8.34 0.01 1 50 312 5 ALA HA H 4.32 0.01 1 51 312 5 ALA HB H 1.36 0.01 1 52 312 5 ALA C C 177.25 0.01 1 53 312 5 ALA CA C 52.29 0.01 1 54 312 5 ALA CB C 19.12 0.01 1 55 312 5 ALA N N 125.05 0.01 1 56 313 6 MET H H 8.22 0.01 1 57 313 6 MET HA H 4.66 0.01 1 58 313 6 MET HB2 H 1.93 0.01 2 59 313 6 MET HB3 H 1.87 0.01 2 60 313 6 MET HG2 H 2.50 0.01 1 61 313 6 MET HG3 H 2.50 0.01 1 62 313 6 MET HE H 2.04 0.01 1 63 313 6 MET CA C 53.15 0.01 1 64 313 6 MET CB C 32.67 0.01 1 65 313 6 MET CG C 31.73 0.01 1 66 313 6 MET CE C 16.98 0.01 1 67 313 6 MET N N 121.32 0.01 1 68 314 7 PRO HA H 4.27 0.01 1 69 314 7 PRO HB2 H 1.89 0.01 2 70 314 7 PRO HB3 H 1.00 0.01 2 71 314 7 PRO HG2 H 1.81 0.01 1 72 314 7 PRO HG3 H 1.81 0.01 1 73 314 7 PRO HD2 H 3.72 0.01 2 74 314 7 PRO HD3 H 3.38 0.01 2 75 314 7 PRO C C 177.16 0.01 1 76 314 7 PRO CA C 62.86 0.01 1 77 314 7 PRO CB C 31.71 0.01 1 78 314 7 PRO CG C 27.41 0.01 1 79 314 7 PRO CD C 50.54 0.01 1 80 315 8 ILE H H 8.20 0.01 1 81 315 8 ILE HA H 3.89 0.01 1 82 315 8 ILE HB H 1.79 0.01 1 83 315 8 ILE HG12 H 1.41 0.01 2 84 315 8 ILE HG13 H 1.15 0.01 2 85 315 8 ILE HG2 H 0.86 0.01 1 86 315 8 ILE HD1 H 0.86 0.01 1 87 315 8 ILE C C 176.02 0.01 1 88 315 8 ILE CA C 62.46 0.01 1 89 315 8 ILE CB C 38.47 0.01 1 90 315 8 ILE CG1 C 27.49 0.01 1 91 315 8 ILE CG2 C 17.39 0.01 1 92 315 8 ILE CD1 C 13.20 0.01 1 93 315 8 ILE N N 120.31 0.01 1 94 316 9 TRP H H 7.33 0.01 1 95 316 9 TRP HA H 4.43 0.01 1 96 316 9 TRP HB2 H 3.28 0.01 2 97 316 9 TRP HB3 H 3.15 0.01 2 98 316 9 TRP HD1 H 7.23 0.01 1 99 316 9 TRP HE1 H 10.27 0.01 1 100 316 9 TRP HE3 H 7.52 0.01 1 101 316 9 TRP HZ2 H 7.49 0.01 1 102 316 9 TRP HZ3 H 7.13 0.01 1 103 316 9 TRP HH2 H 7.23 0.01 1 104 316 9 TRP C C 175.73 0.01 1 105 316 9 TRP CA C 56.48 0.01 1 106 316 9 TRP CB C 29.00 0.01 1 107 316 9 TRP N N 120.42 0.01 1 108 317 10 ALA H H 7.63 0.01 1 109 317 10 ALA HA H 4.32 0.01 1 110 317 10 ALA HB H 1.13 0.01 1 111 317 10 ALA C C 176.73 0.01 1 112 317 10 ALA CA C 52.03 0.01 1 113 317 10 ALA CB C 19.36 0.01 1 114 317 10 ALA N N 125.11 0.01 1 115 318 11 ARG H H 7.84 0.01 1 116 318 11 ARG HA H 4.47 0.01 1 117 318 11 ARG HB2 H 1.87 0.01 2 118 318 11 ARG HB3 H 1.72 0.01 2 119 318 11 ARG HG2 H 1.67 0.01 2 120 318 11 ARG HG3 H 1.58 0.01 2 121 318 11 ARG HD2 H 3.15 0.01 1 122 318 11 ARG HD3 H 3.15 0.01 1 123 318 11 ARG HE H 7.33 0.01 1 124 318 11 ARG CA C 54.12 0.01 1 125 318 11 ARG CB C 30.37 0.01 1 126 318 11 ARG CG C 26.63 0.01 1 127 318 11 ARG CD C 43.39 0.01 1 128 318 11 ARG N N 120.77 0.01 1 129 319 12 PRO HA H 4.39 0.01 1 130 319 12 PRO HB2 H 2.26 0.01 2 131 319 12 PRO HB3 H 1.87 0.01 2 132 319 12 PRO HG2 H 2.02 0.01 1 133 319 12 PRO HG3 H 2.02 0.01 1 134 319 12 PRO HD2 H 3.77 0.01 2 135 319 12 PRO HD3 H 3.64 0.01 2 136 319 12 PRO C C 176.49 0.01 1 137 319 12 PRO CA C 63.89 0.01 1 138 319 12 PRO CB C 31.88 0.01 1 139 319 12 PRO CG C 27.28 0.01 1 140 319 12 PRO CD C 50.42 0.01 1 141 320 13 ASP H H 8.32 0.01 1 142 320 13 ASP HA H 4.53 0.01 1 143 320 13 ASP HB2 H 2.66 0.01 1 144 320 13 ASP HB3 H 2.66 0.01 1 145 320 13 ASP C C 175.56 0.01 1 146 320 13 ASP CA C 54.06 0.01 1 147 320 13 ASP CB C 40.49 0.01 1 148 320 13 ASP N N 117.94 0.01 1 149 321 14 TYR H H 7.84 0.01 1 150 321 14 TYR HA H 4.53 0.01 1 151 321 14 TYR HB2 H 3.03 0.01 2 152 321 14 TYR HB3 H 2.96 0.01 2 153 321 14 TYR HD1 H 7.10 0.01 1 154 321 14 TYR HD2 H 7.10 0.01 1 155 321 14 TYR HE1 H 6.80 0.01 1 156 321 14 TYR HE2 H 6.80 0.01 1 157 321 14 TYR C C 174.72 0.01 1 158 321 14 TYR CA C 58.08 0.01 1 159 321 14 TYR CB C 39.14 0.01 1 160 321 14 TYR N N 120.58 0.01 1 161 322 15 ASN H H 8.18 0.01 1 162 322 15 ASN HA H 4.93 0.01 1 163 322 15 ASN HB2 H 2.66 0.01 2 164 322 15 ASN HB3 H 2.51 0.01 2 165 322 15 ASN HD21 H 7.51 0.01 2 166 322 15 ASN HD22 H 6.85 0.01 2 167 322 15 ASN CA C 50.81 0.01 1 168 322 15 ASN CB C 39.15 0.01 1 169 322 15 ASN N N 123.95 0.01 1 170 323 16 PRO HA H 4.49 0.01 1 171 323 16 PRO HB2 H 2.26 0.01 2 172 323 16 PRO HB3 H 1.93 0.01 2 173 323 16 PRO HG2 H 1.93 0.01 1 174 323 16 PRO HG3 H 1.93 0.01 1 175 323 16 PRO HD2 H 3.58 0.01 2 176 323 16 PRO HD3 H 3.38 0.01 2 177 323 16 PRO CA C 61.44 0.01 1 178 323 16 PRO CB C 30.93 0.01 1 179 323 16 PRO CG C 27.20 0.01 1 180 323 16 PRO CD C 50.44 0.01 1 181 324 17 PRO HA H 4.40 0.01 1 182 324 17 PRO HB2 H 2.26 0.01 2 183 324 17 PRO HB3 H 1.88 0.01 2 184 324 17 PRO HG2 H 2.03 0.01 1 185 324 17 PRO HG3 H 2.03 0.01 1 186 324 17 PRO HD2 H 3.77 0.01 2 187 324 17 PRO HD3 H 3.64 0.01 2 188 324 17 PRO C C 176.55 0.01 1 189 324 17 PRO CA C 62.95 0.01 1 190 324 17 PRO CB C 31.99 0.01 1 191 324 17 PRO CG C 27.38 0.01 1 192 324 17 PRO CD C 50.53 0.01 1 193 325 18 LEU H H 8.25 0.01 1 194 325 18 LEU HA H 4.35 0.01 1 195 325 18 LEU HB2 H 1.61 0.01 1 196 325 18 LEU HB3 H 1.61 0.01 1 197 325 18 LEU HD1 H 0.93 0.01 2 198 325 18 LEU HD2 H 0.88 0.01 2 199 325 18 LEU C C 177.03 0.01 1 200 325 18 LEU CA C 55.11 0.01 1 201 325 18 LEU CB C 42.38 0.01 1 202 325 18 LEU CD1 C 24.88 0.01 2 203 325 18 LEU CD2 C 23.71 0.01 2 204 325 18 LEU N N 122.42 0.01 1 205 326 19 LEU H H 8.27 0.01 1 206 326 19 LEU HA H 4.42 0.01 1 207 326 19 LEU HB2 H 1.63 0.01 1 208 326 19 LEU HB3 H 1.63 0.01 1 209 326 19 LEU HD1 H 0.93 0.01 2 210 326 19 LEU HD2 H 0.87 0.01 2 211 326 19 LEU C C 176.14 0.01 1 212 326 19 LEU CA C 55.12 0.01 1 213 326 19 LEU CB C 42.38 0.01 1 214 326 19 LEU CD1 C 24.90 0.01 2 215 326 19 LEU CD2 C 23.43 0.01 2 216 326 19 LEU N N 124.27 0.01 1 217 327 20 GLU H H 7.86 0.01 1 218 327 20 GLU HA H 4.14 0.01 1 219 327 20 GLU HB2 H 2.04 0.01 2 220 327 20 GLU HB3 H 1.89 0.01 2 221 327 20 GLU HG2 H 2.18 0.01 1 222 327 20 GLU HG3 H 2.18 0.01 1 223 327 20 GLU CA C 57.98 0.01 1 224 327 20 GLU CB C 31.42 0.01 1 225 327 20 GLU CG C 36.57 0.01 1 226 327 20 GLU N N 126.66 0.01 1 stop_ save_