data_19517 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Micelle-solubilized transmembrane domain of the hepatitis C virus glycoprotein E1 ; _BMRB_accession_number 19517 _BMRB_flat_file_name bmr19517.str _Entry_type original _Submission_date 2013-09-21 _Accession_date 2013-09-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Entry contains assigned backbone resonances of E1-TM, the transmembrane domain of hepatitis C virus glycoprotein E1, solubilized in (a) SDS micelles, (b) LPPG micelles.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zazrin Hadas . . 2 Shaked Hadassa . . 3 Chill Jordan H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 61 "13C chemical shifts" 171 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-12 original author . stop_ _Original_release_date 2014-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Architecture of the hepatitis C virus E1 glycoprotein transmembrane domain studied by NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24192053 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zazrin Hadas . . 2 Shaked Hadassa . . 3 Chill Jordan H. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1838 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 784 _Page_last 792 _Year 2014 _Details . loop_ _Keyword HCV 'membrane protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name E1TM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label E1TM $E1TM stop_ _System_molecular_weight 6263 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Transmembrane domain of the hepatitis C virus glycoprotein E1' save_ ######################## # Monomeric polymers # ######################## save_E1TM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E1TM _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 54 _Mol_residue_sequence ; DPEREKAHWGVLAGIAYYSM VGNWAKVLIVLLLFAGVDAE REKDPHHHHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 345 ASP 2 346 PRO 3 347 GLU 4 348 ARG 5 349 GLU 6 350 LYS 7 351 ALA 8 352 HIS 9 353 TRP 10 354 GLY 11 355 VAL 12 356 LEU 13 357 ALA 14 358 GLY 15 359 ILE 16 360 ALA 17 361 TYR 18 362 TYR 19 363 SER 20 364 MET 21 365 VAL 22 366 GLY 23 367 ASN 24 368 TRP 25 369 ALA 26 370 LYS 27 371 VAL 28 372 LEU 29 373 ILE 30 374 VAL 31 375 LEU 32 376 LEU 33 377 LEU 34 378 PHE 35 379 ALA 36 380 GLY 37 381 VAL 38 382 ASP 39 383 ALA 40 384 GLU 41 385 ARG 42 386 GLU 43 387 LYS 44 388 ASP 45 389 PRO 46 390 HIS 47 391 HIS 48 392 HIS 49 393 HIS 50 394 HIS 51 395 HIS 52 396 HIS 53 397 HIS 54 398 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 EMBL CAD53672 "polyprotein, partial [Hepatitis C virus]" 62.96 88 97.06 100.00 1.06e-13 EMBL CAD53673 "polyprotein, partial [Hepatitis C virus]" 62.96 88 97.06 100.00 1.29e-13 EMBL CAD53674 "polyprotein, partial [Hepatitis C virus]" 62.96 88 97.06 100.00 1.06e-13 EMBL CAD53675 "polyprotein, partial [Hepatitis C virus]" 61.11 88 96.97 100.00 7.15e-13 EMBL CAD53676 "polyprotein, partial [Hepatitis C virus]" 62.96 88 97.06 100.00 1.19e-13 GB AAK27140 "polyprotein, partial [Hepatitis C virus]" 61.11 315 96.97 100.00 2.61e-12 GB AAK27141 "polyprotein, partial [Hepatitis C virus]" 61.11 315 96.97 100.00 2.42e-12 GB AAK59220 "polyprotein, partial [Hepatitis C virus]" 62.96 169 97.06 100.00 1.14e-13 GB AAU93985 "polyprotein, partial [Hepatitis C virus]" 62.96 426 97.06 100.00 4.31e-13 GB AAU93986 "polyprotein, partial [Hepatitis C virus]" 62.96 426 100.00 100.00 4.31e-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 $E1TM 'Hepatitis C virus' 11103 Viruses . Hepacivirus 'Hepatitis C virus' C 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 $E1TM 'recombinant technology' . Escherichia coli BL21 pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details sample_1 loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $E1TM . mM 0.3 0.6 '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 93 % . . 'natural abundance' D2O 7 % . . '[U-99% 2H]' 'sodium chloride' 20 mM . . 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' SDS 300 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details sample_2 loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $E1TM . mM 0.3 0.6 '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 93 % . . 'natural abundance' D2O 7 % . . '[U-99% 2H]' 'sodium chloride' 20 mM . . 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' LPPG 40 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _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' 180 10 mM pH 6.7 0.1 pH pressure 1 . atm temperature 318 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; 13C,15N shifts referenced to DSS 1H shifts referenced to H2O ; 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 na indirect . . . 0.251449530 water H 1 protons ppm 4.54 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na 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 '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CA)CO' '3D HN(CO)CACB' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name E1TM _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 1 351 7 ALA H H 7.85 0.01 . 2 351 7 ALA C C 179.2 0.1 . 3 351 7 ALA CA C 52.1 0.1 . 4 351 7 ALA CB C 18.1 0.1 . 5 351 7 ALA N N 123.2 0.1 . 6 352 8 HIS H H 7.98 0.01 . 7 352 8 HIS C C 176.6 0.1 . 8 352 8 HIS CA C 54.9 0.1 . 9 352 8 HIS CB C 27.7 0.1 . 10 352 8 HIS N N 116.5 0.1 . 11 353 9 TRP H H 7.85 0.01 . 12 353 9 TRP C C 177.1 0.1 . 13 353 9 TRP CA C 58.2 0.1 . 14 353 9 TRP CB C 29 0.1 . 15 353 9 TRP N N 120.4 0.1 . 16 354 10 GLY H H 8.34 0.01 . 17 354 10 GLY C C 175.5 0.1 . 18 354 10 GLY CA C 46 0.1 . 19 354 10 GLY N N 108.6 0.1 . 20 355 11 VAL H H 7.74 0.01 . 21 355 11 VAL C C 177.1 0.1 . 22 355 11 VAL CA C 64.3 0.1 . 23 355 11 VAL CB C 30.9 0.1 . 24 355 11 VAL N N 120.4 0.1 . 25 356 12 LEU H H 7.78 0.01 . 26 356 12 LEU C C 178.4 0.1 . 27 356 12 LEU CA C 56.5 0.1 . 28 356 12 LEU CB C 40.8 0.1 . 29 356 12 LEU N N 119.6 0.1 . 30 357 13 ALA H H 8.05 0.01 . 31 357 13 ALA C C 179.4 0.1 . 32 357 13 ALA CA C 53.6 0.1 . 33 357 13 ALA CB C 17.2 0.1 . 34 357 13 ALA N N 122.1 0.1 . 35 358 14 GLY H H 8.11 0.01 . 36 358 14 GLY C C 175 0.1 . 37 358 14 GLY CA C 45.9 0.1 . 38 358 14 GLY N N 105.8 0.1 . 39 359 15 ILE H H 7.93 0.01 . 40 359 15 ILE C C 178.3 0.1 . 41 359 15 ILE CA C 56.3 0.1 . 42 359 15 ILE CB C 40 0.1 . 43 359 15 ILE N N 121.7 0.1 . 44 360 16 ALA H H 7.95 0.01 . 45 360 16 ALA C C 178.6 0.1 . 46 360 16 ALA CA C 53.9 0.1 . 47 360 16 ALA CB C 16.9 0.1 . 48 360 16 ALA N N 121.2 0.1 . 49 361 17 TYR H H 7.57 0.01 . 50 361 17 TYR C C 176.9 0.1 . 51 361 17 TYR CA C 59.5 0.1 . 52 361 17 TYR CB C 37.7 0.1 . 53 361 17 TYR N N 115.3 0.1 . 54 362 18 TYR H H 7.99 0.01 . 55 362 18 TYR C C 176.8 0.1 . 56 362 18 TYR CA C 59.7 0.1 . 57 362 18 TYR CB C 37.5 0.1 . 58 362 18 TYR N N 119 0.1 . 59 363 19 SER H H 7.90 0.01 . 60 363 19 SER C C 174.9 0.1 . 61 363 19 SER CA C 59.6 0.1 . 62 363 19 SER CB C 62.8 0.1 . 63 363 19 SER N N 114.5 0.1 . 64 364 20 MET H H 7.80 0.01 . 65 364 20 MET C C 176.4 0.1 . 66 364 20 MET CA C 56 0.1 . 67 364 20 MET CB C 31.9 0.1 . 68 364 20 MET N N 120.3 0.1 . 69 365 21 VAL H H 7.41 0.01 . 70 365 21 VAL C C 176.3 0.1 . 71 365 21 VAL CA C 62.3 0.1 . 72 365 21 VAL CB C 31.1 0.1 . 73 365 21 VAL N N 116.8 0.1 . 74 366 22 GLY H H 7.99 0.01 . 75 366 22 GLY C C 174.2 0.1 . 76 366 22 GLY CA C 44.8 0.1 . 77 366 22 GLY N N 110.4 0.1 . 78 367 23 ASN H H 8.14 0.01 . 79 367 23 ASN C C 176.3 0.1 . 80 367 23 ASN CA C 54.4 0.1 . 81 367 23 ASN CB C 37.9 0.1 . 82 367 23 ASN N N 118.6 0.1 . 83 368 24 TRP H H 7.98 0.01 . 84 368 24 TRP CA C 58.9 0.1 . 85 368 24 TRP N N 120 0.1 . 86 369 25 ALA C C 178.8 0.1 . 87 369 25 ALA CA C 53.6 0.1 . 88 369 25 ALA CB C 17.3 0.1 . 89 370 26 LYS H H 7.87 0.01 . 90 370 26 LYS C C 177.6 0.1 . 91 370 26 LYS CA C 59.6 0.1 . 92 370 26 LYS CB C 31.6 0.1 . 93 370 26 LYS N N 117.5 0.1 . 94 371 27 VAL H H 7.46 0.01 . 95 371 27 VAL C C 176.9 0.1 . 96 371 27 VAL CA C 65.7 0.1 . 97 371 27 VAL CB C 30.5 0.1 . 98 371 27 VAL N N 117 0.1 . 99 372 28 LEU H H 7.93 0.01 . 100 372 28 LEU C C 177.9 0.1 . 101 372 28 LEU CA C 57.6 0.1 . 102 372 28 LEU CB C 40.5 0.1 . 103 372 28 LEU N N 119 0.1 . 104 373 29 ILE H H 7.98 0.01 . 105 373 29 ILE C C 176.8 0.1 . 106 373 29 ILE CA C 64.6 0.1 . 107 373 29 ILE CB C 36.4 0.1 . 108 373 29 ILE N N 117 0.1 . 109 374 30 VAL H H 7.56 0.01 . 110 374 30 VAL C C 177.1 0.1 . 111 374 30 VAL CA C 66.5 0.1 . 112 374 30 VAL CB C 30 0.1 . 113 374 30 VAL N N 119.1 0.1 . 114 375 31 LEU H H 8.14 0.01 . 115 375 31 LEU C C 178.8 0.1 . 116 375 31 LEU CA C 57.9 0.1 . 117 375 31 LEU CB C 40.4 0.1 . 118 375 31 LEU N N 119.4 0.1 . 119 376 32 LEU H H 8.23 0.01 . 120 376 32 LEU C C 178.4 0.1 . 121 376 32 LEU CA C 57 0.1 . 122 376 32 LEU CB C 40.4 0.1 . 123 376 32 LEU N N 119.7 0.1 . 124 377 33 LEU H H 8.31 0.01 . 125 377 33 LEU C C 178.9 0.1 . 126 377 33 LEU CA C 57.5 0.1 . 127 377 33 LEU CB C 40.6 0.1 . 128 377 33 LEU N N 118.6 0.1 . 129 378 34 PHE H H 8.46 0.01 . 130 378 34 PHE C C 177.6 0.1 . 131 378 34 PHE CA C 60.4 0.1 . 132 378 34 PHE CB C 37.7 0.1 . 133 378 34 PHE N N 118.6 0.1 . 134 379 35 ALA H H 8.65 0.01 . 135 379 35 ALA CA C 54.4 0.1 . 136 379 35 ALA N N 122 0.1 . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CA)CO' '3D HN(CO)CACB' 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 E1TM _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 1 351 7 ALA H H 8.00 0.01 . 2 351 7 ALA C C 177.6 0.1 . 3 351 7 ALA CA C 51.8 0.1 . 4 351 7 ALA CB C 18.0 0.1 . 5 351 7 ALA N N 124.6 0.1 . 6 352 8 HIS H H 8.16 0.01 . 7 352 8 HIS C C 178.2 0.1 . 8 352 8 HIS CA C 55.2 0.1 . 9 352 8 HIS CB C 28.3 0.1 . 10 352 8 HIS N N 118.5 0.1 . 11 353 9 TRP H H 7.91 0.01 . 12 353 9 TRP C C 177.1 0.1 . 13 353 9 TRP CA C 57.8 0.1 . 14 353 9 TRP CB C 28.7 0.1 . 15 353 9 TRP N N 121 0.1 . 16 354 10 GLY H H 8.25 0.01 . 17 354 10 GLY C C 176 0.1 . 18 354 10 GLY CA C 46.0 0.1 . 19 354 10 GLY N N 108.6 0.1 . 20 355 11 VAL H H 7.63 0.01 . 21 355 11 VAL C C 177.5 0.1 . 22 355 11 VAL CA C 63.9 0.1 . 23 355 11 VAL CB C 30.6 0.1 . 24 355 11 VAL N N 120.8 0.1 . 25 356 12 LEU H H 8.23 0.01 . 26 356 12 LEU C C 178.5 0.1 . 27 356 12 LEU CA C 57.4 0.1 . 28 356 12 LEU N N 119.9 0.1 . 29 357 13 ALA H H 7.92 0.01 . 30 357 13 ALA C C 179.4 0.1 . 31 357 13 ALA CA C 52.4 0.1 . 32 357 13 ALA CB C 17.1 0.1 . 33 357 13 ALA N N 121 0.1 . 34 358 14 GLY H H 7.90 0.01 . 35 358 14 GLY C C 176 0.1 . 36 358 14 GLY CA C 45.9 0.1 . 37 358 14 GLY N N 105.1 0.1 . 38 359 15 ILE H H 7.72 0.01 . 39 359 15 ILE C C 177.6 0.1 . 40 359 15 ILE CA C 56.0 0.1 . 41 359 15 ILE CB C 37.9 0.1 . 42 359 15 ILE N N 121.3 0.1 . 43 360 16 ALA C C 178.7 0.1 . 44 360 16 ALA CA C 53.7 0.1 . 45 360 16 ALA CB C 17.1 0.1 . 46 361 17 TYR H H 7.82 0.01 . 47 361 17 TYR C C 177.1 0.1 . 48 361 17 TYR CA C 59.8 0.1 . 49 361 17 TYR CB C 36.5 0.1 . 50 361 17 TYR N N 117.4 0.1 . 51 362 18 TYR H H 7.97 0.01 . 52 362 18 TYR C C 177.6 0.1 . 53 362 18 TYR CA C 60.1 0.1 . 54 362 18 TYR CB C 36.8 0.1 . 55 362 18 TYR N N 115.2 0.1 . 56 363 19 SER H H 7.82 0.01 . 57 363 19 SER C C 175.7 0.1 . 58 363 19 SER CA C 60.6 0.1 . 59 363 19 SER CB C 62.3 0.1 . 60 363 19 SER N N 115.2 0.1 . 61 364 20 MET H H 7.69 0.01 . 62 364 20 MET C C 177.3 0.1 . 63 364 20 MET CA C 57.1 0.1 . 64 364 20 MET CB C 31.3 0.1 . 65 364 20 MET N N 120.6 0.1 . 66 365 21 VAL H H 7.66 0.01 . 67 365 21 VAL C C 177.4 0.1 . 68 365 21 VAL CA C 64.4 0.1 . 69 365 21 VAL CB C 30.2 0.1 . 70 365 21 VAL N N 117.4 0.1 . 71 366 22 GLY H H 7.88 0.01 . 72 366 22 GLY C C 175 0.1 . 73 366 22 GLY CA C 45.7 0.1 . 74 366 22 GLY N N 107.6 0.1 . 75 367 23 ASN H H 7.71 0.01 . 76 367 23 ASN C C 176.8 0.1 . 77 367 23 ASN CA C 54.3 0.1 . 78 367 23 ASN CB C 38.2 0.1 . 79 367 23 ASN N N 118.3 0.1 . 80 368 24 TRP H H 7.77 0.01 . 81 368 24 TRP C C 177.2 0.1 . 82 368 24 TRP CA C 58.8 0.1 . 83 368 24 TRP CB C 28.3 0.1 . 84 368 24 TRP N N 121.3 0.1 . 85 369 25 ALA H H 7.99 0.01 . 86 369 25 ALA C C 178.9 0.1 . 87 369 25 ALA CA C 54.5 0.1 . 88 369 25 ALA CB C 16.8 0.1 . 89 369 25 ALA N N 121.2 0.1 . 90 370 26 LYS H H 7.47 0.01 . 91 370 26 LYS C C 178.1 0.1 . 92 370 26 LYS CA C 58.6 0.1 . 93 370 26 LYS CB C 31.1 0.1 . 94 370 26 LYS N N 116.3 0.1 . 95 371 27 VAL H H 7.46 0.01 . 96 371 27 VAL C C 177.4 0.1 . 97 371 27 VAL CA C 65.1 0.1 . 98 371 27 VAL CB C 30.4 0.1 . 99 371 27 VAL N N 118 0.1 . 100 372 28 LEU H H 7.69 0.01 . 101 372 28 LEU C C 178.1 0.1 . 102 372 28 LEU CA C 57.2 0.1 . 103 372 28 LEU CB C 40.2 0.1 . 104 372 28 LEU N N 119.1 0.1 . 105 373 29 ILE H H 7.71 0.01 . 106 373 29 ILE C C 177.6 0.1 . 107 373 29 ILE CA C 63.8 0.1 . 108 373 29 ILE CB C 36.0 0.1 . 109 373 29 ILE N N 117.6 0.1 . 110 374 30 VAL H H 7.52 0.01 . 111 374 30 VAL C C 177.9 0.1 . 112 374 30 VAL CA C 65.7 0.1 . 113 374 30 VAL CB C 29.9 0.1 . 114 374 30 VAL N N 119.5 0.1 . 115 375 31 LEU H H 7.83 0.01 . 116 375 31 LEU C C 176.8 0.1 . 117 375 31 LEU CA C 57.3 0.1 . 118 375 31 LEU N N 119.8 0.1 . 119 376 32 LEU H H 7.93 0.01 . 120 376 32 LEU CA C 55.8 0.1 . 121 376 32 LEU CB C 37.4 0.1 . 122 376 32 LEU N N 118.9 0.1 . 123 377 33 LEU H H 7.93 0.01 . 124 377 33 LEU C C 179.5 0.1 . 125 377 33 LEU CA C 56.4 0.1 . 126 377 33 LEU CB C 40.5 0.1 . 127 377 33 LEU N N 118.9 0.1 . 128 378 34 PHE H H 7.96 0.01 . 129 378 34 PHE CA C 58.6 0.1 . 130 378 34 PHE N N 118.9 0.1 . 131 379 35 ALA H H 7.85 0.01 . 132 379 35 ALA C C 177.7 0.1 . 133 379 35 ALA CA C 52.4 0.1 . 134 379 35 ALA CB C 18.0 0.1 . 135 379 35 ALA N N 121.2 0.1 . 136 380 36 GLY H H 7.81 0.01 . 137 380 36 GLY C C 174.5 0.1 . 138 380 36 GLY CA C 44.9 0.1 . 139 380 36 GLY N N 106.2 0.1 . 140 381 37 VAL H H 7.71 0.01 . 141 381 37 VAL C C 176.2 0.1 . 142 381 37 VAL CA C 62.0 0.1 . 143 381 37 VAL CB C 33.0 0.1 . 144 381 37 VAL N N 119.7 0.1 . 145 382 38 ASP H H 8.44 0.01 . 146 382 38 ASP C C 176.1 0.1 . 147 382 38 ASP CA C 53.5 0.1 . 148 382 38 ASP CB C 40.1 0.1 . 149 382 38 ASP N N 122.8 0.1 . 150 383 39 ALA H H 7.99 0.01 . 151 383 39 ALA C C 178 0.1 . 152 383 39 ALA CA C 52.6 0.1 . 153 383 39 ALA CB C 18.1 0.1 . 154 383 39 ALA N N 125.2 0.1 . 155 384 40 GLU H H 8.08 0.01 . 156 384 40 GLU CA C 56.0 0.1 . 157 384 40 GLU N N 118.3 0.1 . stop_ save_