data_16798 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone resonance assignments of domain 3 of the non-structural 5A (NS5A) protein from Hepatitis C Virus (JFH-1) ; _BMRB_accession_number 16798 _BMRB_flat_file_name bmr16798.str _Entry_type original _Submission_date 2010-03-29 _Accession_date 2010-03-29 _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 Verdegem Dries . . 2 Badillo Aurelie . . 3 Wieruszeski Jean-Michel . . 4 Landrieu Isabelle . . 5 Bartenschlager Ralf . . 6 Penin Francois . . 7 Lippens Guy . . 8 Hanoulle Xavier . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 97 "13C chemical shifts" 306 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-01 update BMRB 'update entry citation' 2011-05-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16799 '(JFH-1) in presence of 50%TFE' 16800 '(Con1) in presence of 50%TFE' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Domain 3 of NS5A Protein from the Hepatitis C Virus Has Intrinsic {alpha}-Helical Propensity and Is a Substrate of Cyclophilin A.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21489988 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Verdegem Dries . . 2 Badillo Aurelie . . 3 Wieruszeski Jean-Michel . . 4 Landrieu Isabelle . . 5 Leroy Arnaud . . 6 Bartenschlager Ralf . . 7 Penin Francois . . 8 Lippens Guy . . 9 Hanoulle Xavier . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20441 _Page_last 20454 _Year 2011 _Details . loop_ _Keyword HCV NMR NS5A stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HCV (JFH-1) NS5A-D3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NS5A-D3 $NS5A-D3 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_NS5A-D3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS5A-D3 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'involved in HCV particles production and assembly' stop_ _Details ; The first Methionine residue is a cloning artifact. The last 8 residues represent a non-native affinity tag. This is the domain 3 of the HCV (JFH-1, genotype 2a) NS5A protein. ; ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MRTVGLSESTISEALQQLAI KTFGQPPSSGDAGSSTGAGA AESGGPTSPGEPAPSETGSA SSMPPLEGEPGDPDLESDQV ELQPPPQGGGVAPGSGSGSW STCSEEDDTTVLQHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 354 MET 2 355 ARG 3 356 THR 4 357 VAL 5 358 GLY 6 359 LEU 7 360 SER 8 361 GLU 9 362 SER 10 363 THR 11 364 ILE 12 365 SER 13 366 GLU 14 367 ALA 15 368 LEU 16 369 GLN 17 370 GLN 18 371 LEU 19 372 ALA 20 373 ILE 21 374 LYS 22 375 THR 23 376 PHE 24 377 GLY 25 378 GLN 26 379 PRO 27 380 PRO 28 381 SER 29 382 SER 30 383 GLY 31 384 ASP 32 385 ALA 33 386 GLY 34 387 SER 35 388 SER 36 389 THR 37 390 GLY 38 391 ALA 39 392 GLY 40 393 ALA 41 394 ALA 42 395 GLU 43 396 SER 44 397 GLY 45 398 GLY 46 399 PRO 47 400 THR 48 401 SER 49 402 PRO 50 403 GLY 51 404 GLU 52 405 PRO 53 406 ALA 54 407 PRO 55 408 SER 56 409 GLU 57 410 THR 58 411 GLY 59 412 SER 60 413 ALA 61 414 SER 62 415 SER 63 416 MET 64 417 PRO 65 418 PRO 66 419 LEU 67 420 GLU 68 421 GLY 69 422 GLU 70 423 PRO 71 424 GLY 72 425 ASP 73 426 PRO 74 427 ASP 75 428 LEU 76 429 GLU 77 430 SER 78 431 ASP 79 432 GLN 80 433 VAL 81 434 GLU 82 435 LEU 83 436 GLN 84 437 PRO 85 438 PRO 86 439 PRO 87 440 GLN 88 441 GLY 89 442 GLY 90 443 GLY 91 444 VAL 92 445 ALA 93 446 PRO 94 447 GLY 95 448 SER 96 449 GLY 97 450 SER 98 451 GLY 99 452 SER 100 453 TRP 101 454 SER 102 455 THR 103 456 CYS 104 457 SER 105 458 GLU 106 459 GLU 107 460 ASP 108 461 ASP 109 462 THR 110 463 THR 111 464 VAL 112 465 LEU 113 466 GLN 114 467 HIS 115 468 HIS 116 469 HIS 117 470 HIS 118 471 HIS 119 472 HIS 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 BMRB 16799 HCV_(JFH-1)_NS5A-D3 100.00 119 100.00 100.00 4.56e-74 DBJ BAB32872 "polyprotein [Hepatitis C virus (isolate JFH-1)] [Hepatitis C virus JFH-1]" 92.44 3033 100.00 100.00 6.52e-61 DBJ BAD06942 "hepatitis C virus nonstructural protein [Hepatitis C virus]" 92.44 2004 100.00 100.00 7.20e-61 DBJ BAF34893 "HCV polyprotein [Hepatitis C virus full-length replicon pFGR-JFH1]" 92.44 3033 100.00 100.00 6.52e-61 GB ABX82715 "polyprotein [Recombinant Hepatitis C virus S52/JFH1]" 92.44 3035 100.00 100.00 6.59e-61 GB ABY68009 "polyprotein [synthetic construct]" 92.44 3029 100.00 100.00 6.91e-61 GB ABY68010 "polyprotein [synthetic construct]" 92.44 3029 100.00 100.00 6.39e-61 GB ABY68011 "polyprotein [synthetic construct]" 92.44 3029 100.00 100.00 6.64e-61 GB ABY68012 "polyprotein [Recombinant Hepatitis C virus H77C/JFH-1]" 92.44 3029 100.00 100.00 6.09e-61 SP Q99IB8 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 92.44 3033 100.00 100.00 6.52e-61 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 $NS5A-D3 'Hepatitis C Virus' 11103 Virus . Hepacivirus 'Hepatitis C Virus' JFH-1 'Genotype 2a' 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 $NS5A-D3 'recombinant technology' . Escherichia coli BL21(DE3)Star pT7.7 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 $NS5A-D3 500 uM '[U-95% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' THP 1 mM 'natural abundance' D2O 5 % '[U-99.9% 2H]' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_In_house_product_plane_algorithm _Saveframe_category software _Name In_house_product_plane_algorithm _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Dries Verdegem & Guy Lippens' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCANNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCANNH' _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' 30 . mM pH 6.3 . 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 . 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 carbons' ppm 0 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.00 TSP N 15 'methyl protons' ppm 0 internal 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-15N HSQC' '3D HNCO' '3D HNCACO' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCANNH' 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 NS5A-D3 _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 1 355 2 ARG C C 176.129 0.107 1 2 355 2 ARG CA C 56.265 0.272 1 3 355 2 ARG CB C 30.974 0.272 1 4 356 3 THR H H 8.440 0.007 1 5 356 3 THR C C 174.406 0.107 1 6 356 3 THR CA C 62.013 0.272 1 7 356 3 THR CB C 69.933 0.272 1 8 356 3 THR N N 117.548 0.098 1 9 357 4 VAL H H 8.263 0.007 1 10 357 4 VAL C C 176.434 0.107 1 11 357 4 VAL CA C 62.524 0.272 1 12 357 4 VAL CB C 32.890 0.272 1 13 357 4 VAL N N 123.077 0.098 1 14 358 5 GLY H H 8.563 0.007 1 15 358 5 GLY C C 174.066 0.107 1 16 358 5 GLY CA C 45.225 0.272 1 17 358 5 GLY N N 112.893 0.098 1 18 359 6 LEU H H 8.182 0.007 1 19 359 6 LEU C C 177.700 0.107 1 20 359 6 LEU CA C 55.304 0.272 1 21 359 6 LEU CB C 42.598 0.272 1 22 359 6 LEU N N 121.904 0.098 1 23 360 7 SER H H 8.440 0.007 1 24 360 7 SER C C 174.699 0.107 1 25 360 7 SER CA C 58.565 0.272 1 26 360 7 SER CB C 63.802 0.272 1 27 360 7 SER N N 116.694 0.098 1 28 361 8 GLU H H 8.546 0.007 1 29 361 8 GLU C C 176.856 0.107 1 30 361 8 GLU CA C 57.159 0.272 1 31 361 8 GLU CB C 30.207 0.272 1 32 361 8 GLU N N 122.736 0.098 1 33 362 9 SER H H 8.386 0.007 1 34 362 9 SER C C 175.016 0.107 1 35 362 9 SER CA C 58.884 0.272 1 36 362 9 SER CB C 63.729 0.272 1 37 362 9 SER N N 116.270 0.098 1 38 363 10 THR H H 8.195 0.007 1 39 363 10 THR C C 174.981 0.107 1 40 363 10 THR CA C 62.524 0.272 1 41 363 10 THR CB C 69.677 0.272 1 42 363 10 THR N N 116.468 0.098 1 43 364 11 ILE H H 8.150 0.007 1 44 364 11 ILE C C 176.575 0.107 1 45 364 11 ILE CA C 61.886 0.272 1 46 364 11 ILE CB C 38.638 0.272 1 47 364 11 ILE N N 122.980 0.098 1 48 365 12 SER H H 8.318 0.007 1 49 365 12 SER C C 175.403 0.107 1 50 365 12 SER CA C 59.075 0.272 1 51 365 12 SER CB C 63.674 0.272 1 52 365 12 SER N N 119.162 0.098 1 53 366 13 GLU H H 8.509 0.007 1 54 366 13 GLU C C 177.243 0.107 1 55 366 13 GLU CA C 57.926 0.272 1 56 366 13 GLU CB C 29.952 0.272 1 57 366 13 GLU N N 123.492 0.098 1 58 367 14 ALA H H 8.209 0.007 1 59 367 14 ALA C C 179.013 0.107 1 60 367 14 ALA CA C 53.645 0.272 1 61 367 14 ALA CB C 18.711 0.272 1 62 367 14 ALA N N 123.371 0.098 1 63 368 15 LEU H H 8.032 0.007 1 64 368 15 LEU C C 178.568 0.107 1 65 368 15 LEU CA C 56.138 0.272 1 66 368 15 LEU CB C 41.959 0.272 1 67 368 15 LEU N N 119.847 0.098 1 68 369 16 GLN H H 8.195 0.007 1 69 369 16 GLN C C 176.903 0.107 1 70 369 16 GLN CA C 57.032 0.272 1 71 369 16 GLN CB C 29.058 0.272 1 72 369 16 GLN N N 120.434 0.098 1 73 370 17 GLN H H 8.236 0.007 1 74 370 17 GLN C C 176.669 0.107 1 75 370 17 GLN CA C 56.648 0.272 1 76 370 17 GLN CB C 28.994 0.272 1 77 370 17 GLN N N 119.798 0.098 1 78 371 18 LEU H H 8.045 0.007 1 79 371 18 LEU C C 177.559 0.107 1 80 371 18 LEU CA C 55.754 0.272 1 81 371 18 LEU CB C 42.342 0.272 1 82 371 18 LEU N N 121.952 0.098 1 83 372 19 ALA H H 8.100 0.007 1 84 372 19 ALA C C 178.028 0.107 1 85 372 19 ALA CA C 52.944 0.272 1 86 372 19 ALA CB C 18.967 0.272 1 87 372 19 ALA N N 123.959 0.098 1 88 373 20 ILE H H 7.936 0.007 1 89 373 20 ILE C C 176.703 0.107 1 90 373 20 ILE CA C 61.758 0.272 1 91 373 20 ILE CB C 38.638 0.272 1 92 373 20 ILE N N 119.455 0.098 1 93 374 21 LYS H H 8.277 0.007 1 94 374 21 LYS C C 176.680 0.107 1 95 374 21 LYS CA C 56.648 0.272 1 96 374 21 LYS CB C 33.018 0.272 1 97 374 21 LYS N N 124.546 0.098 1 98 375 22 THR H H 8.018 0.007 1 99 375 22 THR C C 174.254 0.107 1 100 375 22 THR CA C 62.013 0.272 1 101 375 22 THR CB C 69.933 0.272 1 102 375 22 THR N N 114.579 0.098 1 103 376 23 PHE H H 8.280 0.007 1 104 376 23 PHE C C 176.270 0.107 1 105 376 23 PHE CA C 58.054 0.272 1 106 376 23 PHE CB C 39.787 0.272 1 107 376 23 PHE N N 122.197 0.098 1 108 377 24 GLY H H 8.345 0.007 1 109 377 24 GLY C C 173.609 0.107 1 110 377 24 GLY CA C 45.152 0.272 1 111 377 24 GLY N N 110.764 0.098 1 112 378 25 GLN H H 8.168 0.007 1 113 378 25 GLN C C 173.691 0.107 1 114 378 25 GLN CA C 53.583 0.272 1 115 378 25 GLN CB C 28.930 0.272 1 116 378 25 GLN N N 120.678 0.098 1 117 380 27 PRO C C 177.067 0.107 1 118 380 27 PRO CA C 63.163 0.272 1 119 380 27 PRO CB C 32.123 0.272 1 120 381 28 SER H H 8.508 0.007 1 121 381 28 SER C C 174.852 0.107 1 122 381 28 SER CA C 58.309 0.272 1 123 381 28 SER CB C 63.929 0.272 1 124 381 28 SER N N 116.222 0.098 1 125 382 29 SER H H 8.454 0.007 1 126 382 29 SER C C 175.098 0.107 1 127 382 29 SER CA C 58.692 0.272 1 128 382 29 SER CB C 63.929 0.272 1 129 382 29 SER N N 117.827 0.098 1 130 383 30 GLY H H 8.427 0.007 1 131 383 30 GLY C C 173.926 0.107 1 132 383 30 GLY CA C 45.408 0.272 1 133 383 30 GLY N N 110.737 0.098 1 134 384 31 ASP H H 8.223 0.007 1 135 384 31 ASP C C 176.423 0.107 1 136 384 31 ASP CA C 54.349 0.272 1 137 384 31 ASP CB C 41.448 0.272 1 138 384 31 ASP N N 120.628 0.098 1 139 385 32 ALA H H 8.415 0.007 1 140 385 32 ALA C C 178.544 0.107 1 141 385 32 ALA CA C 53.072 0.272 1 142 385 32 ALA CB C 19.094 0.272 1 143 385 32 ALA N N 124.951 0.098 1 144 386 33 GLY H H 8.454 0.007 1 145 386 33 GLY C C 174.512 0.107 1 146 386 33 GLY CA C 45.472 0.272 1 147 386 33 GLY N N 107.899 0.098 1 148 387 34 SER H H 8.180 0.007 1 149 387 34 SER C C 174.969 0.107 1 150 387 34 SER CA C 58.437 0.272 1 151 387 34 SER CB C 63.929 0.272 1 152 387 34 SER N N 115.462 0.098 1 153 388 35 SER H H 8.486 0.007 1 154 388 35 SER C C 175.028 0.107 1 155 388 35 SER CA C 58.565 0.272 1 156 388 35 SER CB C 63.802 0.272 1 157 388 35 SER N N 117.980 0.098 1 158 389 36 THR H H 8.236 0.007 1 159 389 36 THR C C 175.285 0.107 1 160 389 36 THR CA C 62.141 0.272 1 161 389 36 THR CB C 69.805 0.272 1 162 389 36 THR N N 115.195 0.098 1 163 390 37 GLY H H 8.400 0.007 1 164 390 37 GLY C C 174.043 0.107 1 165 390 37 GLY CA C 45.408 0.272 1 166 390 37 GLY N N 111.252 0.098 1 167 391 38 ALA H H 8.263 0.007 1 168 391 38 ALA C C 178.403 0.107 1 169 391 38 ALA CA C 52.689 0.272 1 170 391 38 ALA CB C 19.350 0.272 1 171 391 38 ALA N N 124.029 0.098 1 172 392 39 GLY H H 8.468 0.007 1 173 392 39 GLY C C 174.043 0.107 1 174 392 39 GLY CA C 45.280 0.272 1 175 392 39 GLY N N 108.487 0.098 1 176 393 40 ALA H H 8.154 0.007 1 177 393 40 ALA C C 177.770 0.107 1 178 393 40 ALA CA C 52.495 0.272 1 179 393 40 ALA CB C 19.350 0.272 1 180 393 40 ALA N N 123.959 0.098 1 181 394 41 ALA H H 8.349 0.007 1 182 394 41 ALA C C 178.087 0.107 1 183 394 41 ALA CA C 52.689 0.272 1 184 394 41 ALA CB C 19.222 0.272 1 185 394 41 ALA N N 123.315 0.098 1 186 395 42 GLU H H 8.413 0.007 1 187 395 42 GLU C C 176.798 0.107 1 188 395 42 GLU CA C 56.712 0.272 1 189 395 42 GLU CB C 30.207 0.272 1 190 395 42 GLU N N 120.092 0.098 1 191 396 43 SER H H 8.361 0.007 1 192 396 43 SER C C 175.098 0.107 1 193 396 43 SER CA C 58.565 0.272 1 194 396 43 SER CB C 63.929 0.272 1 195 396 43 SER N N 116.666 0.098 1 196 397 44 GLY H H 8.468 0.007 1 197 397 44 GLY C C 174.383 0.107 1 198 397 44 GLY CA C 45.344 0.272 1 199 397 44 GLY N N 110.984 0.098 1 200 398 45 GLY H H 8.170 0.007 1 201 398 45 GLY C C 171.874 0.107 1 202 398 45 GLY CA C 44.514 0.272 1 203 398 45 GLY N N 108.907 0.098 1 204 399 46 PRO C C 177.524 0.107 1 205 399 46 PRO CA C 63.291 0.272 1 206 399 46 PRO CB C 32.251 0.272 1 207 400 47 THR H H 8.345 0.007 1 208 400 47 THR C C 174.535 0.107 1 209 400 47 THR CA C 61.886 0.272 1 210 400 47 THR CB C 70.061 0.272 1 211 400 47 THR N N 114.385 0.098 1 212 401 48 SER H H 8.372 0.007 1 213 401 48 SER C C 174.535 0.107 1 214 401 48 SER CA C 56.393 0.272 1 215 401 48 SER CB C 63.546 0.272 1 216 401 48 SER N N 119.404 0.098 1 217 402 49 PRO C C 177.395 0.107 1 218 402 49 PRO CA C 63.610 0.272 1 219 402 49 PRO CB C 32.123 0.272 1 220 403 50 GLY H H 8.400 0.007 1 221 403 50 GLY C C 173.726 0.107 1 222 403 50 GLY CA C 45.025 0.272 1 223 403 50 GLY N N 109.193 0.098 1 224 404 51 GLU H H 8.168 0.007 1 225 404 51 GLU C C 174.535 0.107 1 226 404 51 GLU CA C 54.222 0.272 1 227 404 51 GLU CB C 29.952 0.272 1 228 404 51 GLU N N 121.854 0.098 1 229 405 52 PRO C C 176.340 0.107 1 230 405 52 PRO CA C 62.907 0.272 1 231 405 52 PRO CB C 32.123 0.272 1 232 406 53 ALA H H 8.481 0.007 1 233 406 53 ALA C C 175.825 0.107 1 234 406 53 ALA CA C 50.389 0.272 1 235 406 53 ALA CB C 18.009 0.272 1 236 406 53 ALA N N 125.870 0.098 1 237 407 54 PRO C C 177.137 0.107 1 238 407 54 PRO CA C 63.291 0.272 1 239 407 54 PRO CB C 32.123 0.272 1 240 408 55 SER H H 8.413 0.007 1 241 408 55 SER C C 174.863 0.107 1 242 408 55 SER CA C 58.437 0.272 1 243 408 55 SER CB C 63.929 0.272 1 244 408 55 SER N N 115.835 0.098 1 245 409 56 GLU H H 8.563 0.007 1 246 409 56 GLU C C 176.903 0.107 1 247 409 56 GLU CA C 56.648 0.272 1 248 409 56 GLU CB C 30.335 0.272 1 249 409 56 GLU N N 123.098 0.098 1 250 410 57 THR H H 8.263 0.007 1 251 410 57 THR C C 175.391 0.107 1 252 410 57 THR CA C 62.269 0.272 1 253 410 57 THR CB C 69.805 0.272 1 254 410 57 THR N N 114.521 0.098 1 255 411 58 GLY H H 8.454 0.007 1 256 411 58 GLY C C 174.336 0.107 1 257 411 58 GLY CA C 45.408 0.272 1 258 411 58 GLY N N 111.474 0.098 1 259 412 59 SER H H 8.264 0.007 1 260 412 59 SER C C 174.582 0.107 1 261 412 59 SER CA C 58.309 0.272 1 262 412 59 SER CB C 63.929 0.272 1 263 412 59 SER N N 115.820 0.098 1 264 413 60 ALA H H 8.467 0.007 1 265 413 60 ALA C C 177.981 0.107 1 266 413 60 ALA CA C 52.816 0.272 1 267 413 60 ALA CB C 19.222 0.272 1 268 413 60 ALA N N 126.180 0.098 1 269 414 61 SER H H 8.304 0.007 1 270 414 61 SER C C 174.582 0.107 1 271 414 61 SER CA C 58.437 0.272 1 272 414 61 SER CB C 63.929 0.272 1 273 414 61 SER N N 114.806 0.098 1 274 415 62 SER H H 8.291 0.007 1 275 415 62 SER C C 174.066 0.107 1 276 415 62 SER CA C 58.309 0.272 1 277 415 62 SER CB C 63.929 0.272 1 278 415 62 SER N N 117.804 0.098 1 279 416 63 MET H H 8.318 0.007 1 280 416 63 MET C C 173.762 0.107 1 281 416 63 MET CA C 53.327 0.272 1 282 416 63 MET CB C 32.507 0.272 1 283 416 63 MET N N 123.345 0.098 1 284 418 65 PRO C C 176.950 0.107 1 285 418 65 PRO CA C 62.780 0.272 1 286 418 65 PRO CB C 31.996 0.272 1 287 419 66 LEU H H 8.386 0.007 1 288 419 66 LEU C C 177.536 0.107 1 289 419 66 LEU CA C 55.243 0.272 1 290 419 66 LEU CB C 42.470 0.272 1 291 419 66 LEU N N 122.900 0.098 1 292 420 67 GLU H H 8.468 0.007 1 293 420 67 GLU C C 176.739 0.107 1 294 420 67 GLU CA C 56.521 0.272 1 295 420 67 GLU CB C 30.463 0.272 1 296 420 67 GLU N N 121.968 0.098 1 297 421 68 GLY H H 8.383 0.007 1 298 421 68 GLY C C 173.609 0.107 1 299 421 68 GLY CA C 44.897 0.272 1 300 421 68 GLY N N 110.175 0.098 1 301 422 69 GLU H H 8.312 0.007 1 302 422 69 GLU C C 174.899 0.107 1 303 422 69 GLU CA C 54.222 0.272 1 304 422 69 GLU CB C 29.824 0.272 1 305 422 69 GLU N N 121.667 0.098 1 306 423 70 PRO C C 177.489 0.107 1 307 423 70 PRO CA C 63.546 0.272 1 308 423 70 PRO CB C 32.123 0.272 1 309 424 71 GLY H H 8.440 0.007 1 310 424 71 GLY C C 173.504 0.107 1 311 424 71 GLY CA C 44.769 0.272 1 312 424 71 GLY N N 109.221 0.098 1 313 425 72 ASP H H 8.277 0.007 1 314 425 72 ASP C C 174.969 0.107 1 315 425 72 ASP CA C 52.434 0.272 1 316 425 72 ASP CB C 41.065 0.272 1 317 425 72 ASP N N 121.895 0.098 1 318 426 73 PRO C C 176.950 0.107 1 319 426 73 PRO CA C 63.546 0.272 1 320 426 73 PRO CB C 32.187 0.272 1 321 427 74 ASP H H 8.468 0.007 1 322 427 74 ASP C C 176.458 0.107 1 323 427 74 ASP CA C 54.605 0.272 1 324 427 74 ASP CB C 40.937 0.272 1 325 427 74 ASP N N 119.969 0.098 1 326 428 75 LEU H H 8.032 0.007 1 327 428 75 LEU C C 177.677 0.107 1 328 428 75 LEU CA C 55.371 0.272 1 329 428 75 LEU CB C 42.470 0.272 1 330 428 75 LEU N N 122.293 0.098 1 331 429 76 GLU H H 8.359 0.007 1 332 429 76 GLU C C 176.774 0.107 1 333 429 76 GLU CA C 56.648 0.272 1 334 429 76 GLU CB C 30.207 0.272 1 335 429 76 GLU N N 121.483 0.098 1 336 430 77 SER H H 8.263 0.007 1 337 430 77 SER C C 174.488 0.107 1 338 430 77 SER CA C 58.692 0.272 1 339 430 77 SER CB C 64.057 0.272 1 340 430 77 SER N N 116.515 0.098 1 341 431 78 ASP H H 8.413 0.007 1 342 431 78 ASP C C 176.270 0.107 1 343 431 78 ASP CA C 54.540 0.272 1 344 431 78 ASP CB C 41.000 0.272 1 345 431 78 ASP N N 122.391 0.098 1 346 432 79 GLN H H 8.277 0.007 1 347 432 79 GLN C C 176.024 0.107 1 348 432 79 GLN CA C 55.754 0.272 1 349 432 79 GLN CB C 29.378 0.272 1 350 432 79 GLN N N 120.253 0.098 1 351 433 80 VAL H H 8.114 0.007 1 352 433 80 VAL C C 176.106 0.107 1 353 433 80 VAL CA C 62.524 0.272 1 354 433 80 VAL CB C 32.890 0.272 1 355 433 80 VAL N N 121.511 0.098 1 356 434 81 GLU H H 8.509 0.007 1 357 434 81 GLU C C 176.200 0.107 1 358 434 81 GLU CA C 56.393 0.272 1 359 434 81 GLU CB C 30.335 0.272 1 360 434 81 GLU N N 124.606 0.098 1 361 435 82 LEU H H 8.318 0.007 1 362 435 82 LEU C C 177.114 0.107 1 363 435 82 LEU CA C 55.116 0.272 1 364 435 82 LEU CB C 42.470 0.272 1 365 435 82 LEU N N 124.257 0.098 1 366 436 83 GLN H H 8.383 0.007 1 367 436 83 GLN C C 173.445 0.107 1 368 436 83 GLN CA C 53.455 0.272 1 369 436 83 GLN CB C 28.930 0.272 1 370 436 83 GLN N N 122.463 0.098 1 371 439 86 PRO C C 177.231 0.107 1 372 439 86 PRO CA C 63.100 0.272 1 373 439 86 PRO CB C 31.996 0.272 1 374 440 87 GLN H H 8.577 0.007 1 375 440 87 GLN C C 176.786 0.107 1 376 440 87 GLN CA C 56.010 0.272 1 377 440 87 GLN CB C 29.569 0.272 1 378 440 87 GLN N N 120.679 0.098 1 379 441 88 GLY H H 8.521 0.007 1 380 441 88 GLY C C 174.723 0.107 1 381 441 88 GLY CA C 45.408 0.272 1 382 441 88 GLY N N 110.472 0.098 1 383 442 89 GLY H H 8.357 0.007 1 384 442 89 GLY C C 174.699 0.107 1 385 442 89 GLY CA C 45.408 0.272 1 386 442 89 GLY N N 108.662 0.098 1 387 443 90 GLY H H 8.331 0.007 1 388 443 90 GLY C C 173.902 0.107 1 389 443 90 GLY CA C 45.152 0.272 1 390 443 90 GLY N N 108.786 0.098 1 391 444 91 VAL H H 8.005 0.007 1 392 444 91 VAL C C 175.789 0.107 1 393 444 91 VAL CA C 61.886 0.272 1 394 444 91 VAL CB C 32.956 0.272 1 395 444 91 VAL N N 119.061 0.098 1 396 445 92 ALA H H 8.481 0.007 1 397 445 92 ALA C C 175.637 0.107 1 398 445 92 ALA CA C 50.517 0.272 1 399 445 92 ALA CB C 18.073 0.272 1 400 445 92 ALA N N 129.565 0.098 1 401 446 93 PRO C C 177.712 0.107 1 402 446 93 PRO CA C 63.418 0.272 1 403 446 93 PRO CB C 31.996 0.272 1 404 447 94 GLY H H 8.495 0.007 1 405 447 94 GLY C C 174.524 0.107 1 406 447 94 GLY CA C 45.408 0.272 1 407 447 94 GLY N N 109.663 0.098 1 408 448 95 SER H H 8.236 0.007 1 409 448 95 SER C C 175.239 0.107 1 410 448 95 SER CA C 58.692 0.272 1 411 448 95 SER CB C 64.057 0.272 1 412 448 95 SER N N 115.560 0.098 1 413 449 96 GLY H H 8.536 0.007 1 414 449 96 GLY C C 174.418 0.107 1 415 449 96 GLY CA C 45.408 0.272 1 416 449 96 GLY N N 110.984 0.098 1 417 450 97 SER H H 8.303 0.007 1 418 450 97 SER C C 175.133 0.107 1 419 450 97 SER CA C 58.565 0.272 1 420 450 97 SER CB C 63.929 0.272 1 421 450 97 SER N N 115.751 0.098 1 422 451 98 GLY H H 8.427 0.007 1 423 451 98 GLY C C 174.172 0.107 1 424 451 98 GLY CA C 45.408 0.272 1 425 451 98 GLY N N 110.866 0.098 1 426 452 99 SER H H 8.141 0.007 1 427 452 99 SER C C 174.254 0.107 1 428 452 99 SER CA C 58.309 0.272 1 429 452 99 SER CB C 63.802 0.272 1 430 452 99 SER N N 115.636 0.098 1 431 453 100 TRP H H 8.114 0.007 1 432 453 100 TRP C C 176.176 0.107 1 433 453 100 TRP CA C 57.287 0.272 1 434 453 100 TRP CB C 29.569 0.272 1 435 453 100 TRP N N 122.711 0.098 1 436 454 101 SER H H 8.113 0.007 1 437 454 101 SER C C 174.535 0.107 1 438 454 101 SER CA C 58.309 0.272 1 439 454 101 SER CB C 63.993 0.272 1 440 454 101 SER N N 117.201 0.098 1 441 455 102 THR H H 8.194 0.007 1 442 455 102 THR C C 174.477 0.107 1 443 455 102 THR CA C 62.013 0.272 1 444 455 102 THR CB C 69.805 0.272 1 445 455 102 THR N N 115.480 0.098 1 446 456 103 CYS H H 8.379 0.007 1 447 456 103 CYS C C 174.523 0.107 1 448 456 103 CYS CA C 58.437 0.272 1 449 456 103 CYS CB C 28.227 0.272 1 450 456 103 CYS N N 121.236 0.098 1 451 457 104 SER H H 8.522 0.007 1 452 457 104 SER C C 174.629 0.107 1 453 457 104 SER CA C 58.565 0.272 1 454 457 104 SER CB C 63.929 0.272 1 455 457 104 SER N N 118.768 0.098 1 456 458 105 GLU H H 8.563 0.007 1 457 458 105 GLU C C 176.610 0.107 1 458 458 105 GLU CA C 56.904 0.272 1 459 458 105 GLU CB C 30.207 0.272 1 460 458 105 GLU N N 122.958 0.098 1 461 459 106 GLU H H 8.372 0.007 1 462 459 106 GLU C C 176.200 0.107 1 463 459 106 GLU CA C 56.648 0.272 1 464 459 106 GLU CB C 30.463 0.272 1 465 459 106 GLU N N 120.938 0.098 1 466 460 107 ASP H H 8.277 0.007 1 467 460 107 ASP C C 176.036 0.107 1 468 460 107 ASP CA C 54.349 0.272 1 469 460 107 ASP CB C 41.448 0.272 1 470 460 107 ASP N N 121.359 0.098 1 471 461 108 ASP H H 8.372 0.007 1 472 461 108 ASP C C 177.114 0.107 1 473 461 108 ASP CA C 54.732 0.272 1 474 461 108 ASP CB C 41.065 0.272 1 475 461 108 ASP N N 121.366 0.098 1 476 462 109 THR H H 8.359 0.007 1 477 462 109 THR C C 175.637 0.107 1 478 462 109 THR CA C 63.035 0.272 1 479 462 109 THR CB C 69.422 0.272 1 480 462 109 THR N N 114.395 0.098 1 481 463 110 THR H H 8.263 0.007 1 482 463 110 THR C C 175.098 0.107 1 483 463 110 THR CA C 63.418 0.272 1 484 463 110 THR CB C 69.422 0.272 1 485 463 110 THR N N 116.544 0.098 1 486 464 111 VAL H H 7.895 0.007 1 487 464 111 VAL C C 176.317 0.107 1 488 464 111 VAL CA C 62.907 0.272 1 489 464 111 VAL CB C 32.379 0.272 1 490 464 111 VAL N N 121.857 0.098 1 491 465 112 LEU H H 8.141 0.007 1 492 465 112 LEU C C 177.395 0.107 1 493 465 112 LEU CA C 55.371 0.272 1 494 465 112 LEU CB C 42.150 0.272 1 495 465 112 LEU N N 124.545 0.098 1 496 466 113 GLN H H 8.209 0.007 1 497 466 113 GLN C C 177.395 0.107 1 498 466 113 GLN CA C 56.010 0.272 1 499 466 113 GLN CB C 29.313 0.272 1 500 466 113 GLN N N 120.093 0.098 1 stop_ save_