data_17685 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal Pdr1 activating domain of Zuo1 ; _BMRB_accession_number 17685 _BMRB_flat_file_name bmr17685.str _Entry_type original _Submission_date 2011-06-02 _Accession_date 2011-06-02 _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 Volkman B. F. . 2 Waltner J. K. . 3 Peterson F. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 510 "13C chemical shifts" 373 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-27 update BMRB 'update entry citation' 2012-10-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Unfolding of the C-terminal domain of the J-protein Zuo1 releases autoinhibition and activates Pdr1-dependent transcription.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23036859 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ducett Jeanette K. . 2 Peterson Francis C. . 3 Hoover Lindsey A. . 4 Prunuske Amy J. . 5 Volkman Brian F. . 6 Craig Elizabeth A. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19 _Page_last 31 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Zuo1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Zuo1 $Zuo1 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_Zuo1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Zuo1 _Molecular_mass 11836.323 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MRGSHHHHHHHHGSENLYFQ GSKAAKKKNKRAIRNSAKEA DYFGDADKATTIDEQVGLIV DSLNDEELVSTADKIKANAA GAKEVLKESAKTIVDSGKLP SSLLSYFV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 326 MET 2 327 ARG 3 328 GLY 4 329 SER 5 330 HIS 6 331 HIS 7 332 HIS 8 333 HIS 9 334 HIS 10 335 HIS 11 336 HIS 12 337 HIS 13 338 GLY 14 339 SER 15 340 GLU 16 341 ASN 17 342 LEU 18 343 TYR 19 344 PHE 20 345 GLN 21 346 GLY 22 347 SER 23 348 LYS 24 349 ALA 25 350 ALA 26 351 LYS 27 352 LYS 28 353 LYS 29 354 ASN 30 355 LYS 31 356 ARG 32 357 ALA 33 358 ILE 34 359 ARG 35 360 ASN 36 361 SER 37 362 ALA 38 363 LYS 39 364 GLU 40 365 ALA 41 366 ASP 42 367 TYR 43 368 PHE 44 369 GLY 45 370 ASP 46 371 ALA 47 372 ASP 48 373 LYS 49 374 ALA 50 375 THR 51 376 THR 52 377 ILE 53 378 ASP 54 379 GLU 55 380 GLN 56 381 VAL 57 382 GLY 58 383 LEU 59 384 ILE 60 385 VAL 61 386 ASP 62 387 SER 63 388 LEU 64 389 ASN 65 390 ASP 66 391 GLU 67 392 GLU 68 393 LEU 69 394 VAL 70 395 SER 71 396 THR 72 397 ALA 73 398 ASP 74 399 LYS 75 400 ILE 76 401 LYS 77 402 ALA 78 403 ASN 79 404 ALA 80 405 ALA 81 406 GLY 82 407 ALA 83 408 LYS 84 409 GLU 85 410 VAL 86 411 LEU 87 412 LYS 88 413 GLU 89 414 SER 90 415 ALA 91 416 LYS 92 417 THR 93 418 ILE 94 419 VAL 95 420 ASP 96 421 SER 97 422 GLY 98 423 LYS 99 424 LEU 100 425 PRO 101 426 SER 102 427 SER 103 428 LEU 104 429 LEU 105 430 SER 106 431 TYR 107 432 PHE 108 433 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 2LWX "Solution Structure Of The C-terminal Pdr1-activating Domain Of The J- Protein Zuo1" 100.00 108 100.00 100.00 2.73e-70 DBJ GAA23651 "K7_Zuo1p [Saccharomyces cerevisiae Kyokai no. 7]" 70.37 433 98.68 98.68 3.24e-40 EMBL CAY80044 "Zuo1p [Saccharomyces cerevisiae EC1118]" 70.37 433 98.68 98.68 3.02e-40 GB AHY79619 "Zuo1p [Saccharomyces cerevisiae YJM993]" 70.37 433 98.68 98.68 3.08e-40 GB AJP39050 "Zuo1p [Saccharomyces cerevisiae YJM1078]" 70.37 433 98.68 98.68 3.08e-40 GB AJR76370 "Zuo1p [Saccharomyces cerevisiae YJM189]" 70.37 433 98.68 98.68 3.24e-40 GB AJR76866 "Zuo1p [Saccharomyces cerevisiae YJM193]" 70.37 433 98.68 98.68 3.24e-40 GB AJR77364 "Zuo1p [Saccharomyces cerevisiae YJM195]" 70.37 433 98.68 98.68 3.24e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Zuo1 yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae Zuo1 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 $Zuo1 'recombinant technology' . Escherichia coli BL21[pREP4] pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '1.2 mM Zuo1 (348-433) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride, 1 mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Zuo1 1.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TopSpin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_(AROMATIC)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample 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' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 283 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS 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 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Zuo1 _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 1 346 21 GLY H H 8.144 0.02 1 2 346 21 GLY HA2 H 3.959 0.02 2 3 346 21 GLY HA3 H 3.959 0.02 2 4 346 21 GLY C C 174.966 0.1 1 5 346 21 GLY CA C 45.730 0.1 1 6 346 21 GLY N N 109.416 0.1 1 7 347 22 SER H H 8.311 0.02 1 8 347 22 SER HA H 4.355 0.02 1 9 347 22 SER HB2 H 4.000 0.02 2 10 347 22 SER HB3 H 3.901 0.02 2 11 347 22 SER C C 176.272 0.1 1 12 347 22 SER CA C 59.651 0.1 1 13 347 22 SER CB C 63.231 0.1 1 14 347 22 SER N N 116.741 0.1 1 15 348 23 LYS H H 8.611 0.02 1 16 348 23 LYS HA H 4.142 0.02 1 17 348 23 LYS HB2 H 1.929 0.02 2 18 348 23 LYS HB3 H 1.929 0.02 2 19 348 23 LYS HG2 H 1.566 0.02 2 20 348 23 LYS HG3 H 1.463 0.02 2 21 348 23 LYS HD2 H 1.730 0.02 2 22 348 23 LYS HD3 H 1.730 0.02 2 23 348 23 LYS HE2 H 2.980 0.02 2 24 348 23 LYS HE3 H 2.980 0.02 2 25 348 23 LYS C C 178.743 0.1 1 26 348 23 LYS CA C 59.304 0.1 1 27 348 23 LYS CB C 32.301 0.1 1 28 348 23 LYS CG C 25.196 0.1 1 29 348 23 LYS CD C 29.530 0.1 1 30 348 23 LYS CE C 41.874 0.1 1 31 348 23 LYS N N 124.398 0.1 1 32 349 24 ALA H H 8.245 0.02 1 33 349 24 ALA HA H 4.137 0.02 1 34 349 24 ALA HB H 1.442 0.02 1 35 349 24 ALA C C 179.869 0.1 1 36 349 24 ALA CA C 54.811 0.1 1 37 349 24 ALA CB C 18.284 0.1 1 38 349 24 ALA N N 122.494 0.1 1 39 350 25 ALA H H 8.014 0.02 1 40 350 25 ALA HA H 4.136 0.02 1 41 350 25 ALA HB H 1.442 0.02 1 42 350 25 ALA C C 178.743 0.1 1 43 350 25 ALA CA C 54.632 0.1 1 44 350 25 ALA CB C 18.299 0.1 1 45 350 25 ALA N N 121.576 0.1 1 46 351 26 LYS H H 7.831 0.02 1 47 351 26 LYS HA H 4.196 0.02 1 48 351 26 LYS HB2 H 1.928 0.02 2 49 351 26 LYS HB3 H 1.928 0.02 2 50 351 26 LYS HG2 H 1.483 0.02 2 51 351 26 LYS HG3 H 1.328 0.02 2 52 351 26 LYS HD2 H 1.733 0.02 2 53 351 26 LYS HD3 H 1.733 0.02 2 54 351 26 LYS HE2 H 2.976 0.02 2 55 351 26 LYS HE3 H 2.976 0.02 2 56 351 26 LYS C C 178.485 0.1 1 57 351 26 LYS CA C 60.014 0.1 1 58 351 26 LYS CB C 32.511 0.1 1 59 351 26 LYS CG C 25.065 0.1 1 60 351 26 LYS CD C 30.186 0.1 1 61 351 26 LYS CE C 41.900 0.1 1 62 351 26 LYS N N 119.618 0.1 1 63 352 27 LYS H H 7.905 0.02 1 64 352 27 LYS HA H 3.958 0.02 1 65 352 27 LYS HB2 H 1.929 0.02 2 66 352 27 LYS HB3 H 1.929 0.02 2 67 352 27 LYS HG2 H 1.451 0.02 2 68 352 27 LYS HG3 H 1.451 0.02 2 69 352 27 LYS HD2 H 1.730 0.02 2 70 352 27 LYS HD3 H 1.730 0.02 2 71 352 27 LYS HE2 H 2.974 0.02 2 72 352 27 LYS HE3 H 2.974 0.02 2 73 352 27 LYS C C 179.564 0.1 1 74 352 27 LYS CA C 60.092 0.1 1 75 352 27 LYS CB C 32.550 0.1 1 76 352 27 LYS CG C 25.459 0.1 1 77 352 27 LYS CD C 29.924 0.1 1 78 352 27 LYS CE C 42.191 0.1 1 79 352 27 LYS N N 118.080 0.1 1 80 353 28 LYS H H 7.934 0.02 1 81 353 28 LYS HA H 4.023 0.02 1 82 353 28 LYS HB2 H 1.935 0.02 2 83 353 28 LYS HB3 H 1.935 0.02 2 84 353 28 LYS HG2 H 1.448 0.02 2 85 353 28 LYS HG3 H 1.448 0.02 2 86 353 28 LYS HD2 H 1.727 0.02 2 87 353 28 LYS HD3 H 1.727 0.02 2 88 353 28 LYS HE2 H 2.978 0.02 2 89 353 28 LYS HE3 H 2.978 0.02 2 90 353 28 LYS C C 179.270 0.1 1 91 353 28 LYS CA C 59.806 0.1 1 92 353 28 LYS CB C 32.324 0.1 1 93 353 28 LYS CG C 25.358 0.1 1 94 353 28 LYS CD C 29.530 0.1 1 95 353 28 LYS CE C 41.929 0.1 1 96 353 28 LYS N N 119.878 0.1 1 97 354 29 ASN H H 8.524 0.02 1 98 354 29 ASN HA H 4.557 0.02 1 99 354 29 ASN HB2 H 2.395 0.02 2 100 354 29 ASN HB3 H 2.845 0.02 2 101 354 29 ASN HD21 H 7.697 0.02 2 102 354 29 ASN HD22 H 7.127 0.02 2 103 354 29 ASN C C 177.395 0.1 1 104 354 29 ASN CA C 56.167 0.1 1 105 354 29 ASN CB C 37.928 0.1 1 106 354 29 ASN N N 119.780 0.1 1 107 354 29 ASN ND2 N 112.838 0.1 1 108 355 30 LYS H H 8.599 0.02 1 109 355 30 LYS HA H 3.820 0.02 1 110 355 30 LYS HB2 H 1.968 0.02 2 111 355 30 LYS HB3 H 1.807 0.02 2 112 355 30 LYS HG2 H 2.007 0.02 2 113 355 30 LYS HG3 H 1.205 0.02 2 114 355 30 LYS HD2 H 1.735 0.02 2 115 355 30 LYS HD3 H 1.652 0.02 2 116 355 30 LYS HE2 H 3.033 0.02 2 117 355 30 LYS HE3 H 2.773 0.02 2 118 355 30 LYS C C 178.266 0.1 1 119 355 30 LYS CA C 61.698 0.1 1 120 355 30 LYS CB C 33.000 0.1 1 121 355 30 LYS CG C 27.948 0.1 1 122 355 30 LYS CD C 30.214 0.1 1 123 355 30 LYS CE C 42.514 0.1 1 124 355 30 LYS N N 118.850 0.1 1 125 356 31 ARG H H 7.809 0.02 1 126 356 31 ARG HA H 3.940 0.02 1 127 356 31 ARG HB2 H 1.942 0.02 2 128 356 31 ARG HB3 H 1.942 0.02 2 129 356 31 ARG HG2 H 1.736 0.02 2 130 356 31 ARG HG3 H 1.683 0.02 2 131 356 31 ARG HD2 H 3.211 0.02 2 132 356 31 ARG HD3 H 3.211 0.02 2 133 356 31 ARG C C 177.676 0.1 1 134 356 31 ARG CA C 59.316 0.1 1 135 356 31 ARG CB C 30.266 0.1 1 136 356 31 ARG CG C 26.977 0.1 1 137 356 31 ARG CD C 43.844 0.1 1 138 356 31 ARG N N 118.226 0.1 1 139 357 32 ALA H H 8.155 0.02 1 140 357 32 ALA HA H 4.104 0.02 1 141 357 32 ALA HB H 1.589 0.02 1 142 357 32 ALA C C 181.157 0.1 1 143 357 32 ALA CA C 55.118 0.1 1 144 357 32 ALA CB C 18.064 0.1 1 145 357 32 ALA N N 120.780 0.1 1 146 358 33 ILE H H 7.929 0.02 1 147 358 33 ILE HA H 3.590 0.02 1 148 358 33 ILE HB H 1.723 0.02 1 149 358 33 ILE HG12 H 2.066 0.02 2 150 358 33 ILE HG13 H 0.613 0.02 2 151 358 33 ILE HG2 H 0.690 0.02 1 152 358 33 ILE HD1 H 0.929 0.02 1 153 358 33 ILE C C 179.458 0.1 1 154 358 33 ILE CA C 65.775 0.1 1 155 358 33 ILE CB C 38.592 0.1 1 156 358 33 ILE CG1 C 28.595 0.1 1 157 358 33 ILE CG2 C 18.892 0.1 1 158 358 33 ILE CD1 C 15.647 0.1 1 159 358 33 ILE N N 116.468 0.1 1 160 359 34 ARG H H 8.672 0.02 1 161 359 34 ARG HA H 3.998 0.02 1 162 359 34 ARG HB2 H 1.944 0.02 2 163 359 34 ARG HB3 H 1.944 0.02 2 164 359 34 ARG HG2 H 1.556 0.02 2 165 359 34 ARG HG3 H 1.556 0.02 2 166 359 34 ARG HD2 H 3.209 0.02 2 167 359 34 ARG HD3 H 3.209 0.02 2 168 359 34 ARG HE H 7.503 0.02 1 169 359 34 ARG C C 179.124 0.1 1 170 359 34 ARG CA C 60.029 0.1 1 171 359 34 ARG CB C 30.576 0.1 1 172 359 34 ARG CG C 29.136 0.1 1 173 359 34 ARG CD C 43.450 0.1 1 174 359 34 ARG N N 119.937 0.1 1 175 359 34 ARG NE N 84.176 0.1 1 176 360 35 ASN H H 8.454 0.02 1 177 360 35 ASN HA H 4.575 0.02 1 178 360 35 ASN HB2 H 2.903 0.02 2 179 360 35 ASN HB3 H 2.845 0.02 2 180 360 35 ASN HD21 H 7.746 0.02 2 181 360 35 ASN HD22 H 6.877 0.02 2 182 360 35 ASN C C 175.723 0.1 1 183 360 35 ASN CA C 54.215 0.1 1 184 360 35 ASN CB C 38.575 0.1 1 185 360 35 ASN N N 116.359 0.1 1 186 360 35 ASN ND2 N 111.303 0.1 1 187 361 36 SER H H 7.617 0.02 1 188 361 36 SER HA H 3.995 0.02 1 189 361 36 SER HB2 H 4.196 0.02 2 190 361 36 SER HB3 H 3.907 0.02 2 191 361 36 SER HG H 5.183 0.02 1 192 361 36 SER C C 176.129 0.1 1 193 361 36 SER CA C 62.349 0.1 1 194 361 36 SER CB C 63.664 0.1 1 195 361 36 SER N N 115.734 0.1 1 196 362 37 ALA H H 6.868 0.02 1 197 362 37 ALA HA H 3.770 0.02 1 198 362 37 ALA HB H 1.220 0.02 . 199 362 37 ALA C C 178.482 0.1 1 200 362 37 ALA CA C 54.821 0.1 1 201 362 37 ALA CB C 18.347 0.1 1 202 362 37 ALA N N 124.421 0.1 1 203 363 38 LYS H H 8.317 0.02 1 204 363 38 LYS HA H 2.913 0.02 1 205 363 38 LYS HB2 H 1.958 0.02 2 206 363 38 LYS HB3 H 1.757 0.02 2 207 363 38 LYS HG2 H 1.421 0.02 2 208 363 38 LYS HG3 H 1.421 0.02 2 209 363 38 LYS HD2 H 1.765 0.02 2 210 363 38 LYS HD3 H 1.765 0.02 2 211 363 38 LYS HE2 H 3.060 0.02 2 212 363 38 LYS HE3 H 3.060 0.02 2 213 363 38 LYS C C 180.669 0.1 1 214 363 38 LYS CA C 59.567 0.1 1 215 363 38 LYS CB C 31.563 0.1 1 216 363 38 LYS CG C 24.539 0.1 1 217 363 38 LYS CD C 29.566 0.1 1 218 363 38 LYS CE C 42.191 0.1 1 219 363 38 LYS N N 122.319 0.1 1 220 364 39 GLU H H 7.935 0.02 1 221 364 39 GLU HA H 4.015 0.02 1 222 364 39 GLU HB2 H 2.047 0.02 2 223 364 39 GLU HB3 H 1.883 0.02 2 224 364 39 GLU HG2 H 2.388 0.02 2 225 364 39 GLU HG3 H 2.280 0.02 2 226 364 39 GLU C C 176.609 0.1 1 227 364 39 GLU CA C 58.674 0.1 1 228 364 39 GLU CB C 29.058 0.1 1 229 364 39 GLU CG C 36.884 0.1 1 230 364 39 GLU N N 118.666 0.1 1 231 365 40 ALA H H 7.049 0.02 1 232 365 40 ALA HA H 4.663 0.02 1 233 365 40 ALA HB H 1.491 0.02 1 234 365 40 ALA C C 177.688 0.1 1 235 365 40 ALA CA C 50.931 0.1 1 236 365 40 ALA CB C 18.566 0.1 1 237 365 40 ALA N N 121.145 0.1 1 238 366 41 ASP H H 8.099 0.02 1 239 366 41 ASP HA H 4.338 0.02 1 240 366 41 ASP HB2 H 3.043 0.02 2 241 366 41 ASP HB3 H 2.603 0.02 2 242 366 41 ASP C C 175.644 0.1 1 243 366 41 ASP CA C 55.898 0.1 1 244 366 41 ASP CB C 39.353 0.1 1 245 366 41 ASP N N 121.103 0.1 1 246 367 42 TYR H H 8.364 0.02 1 247 367 42 TYR HA H 2.485 0.02 1 248 367 42 TYR HB2 H 2.954 0.02 2 249 367 42 TYR HB3 H 2.344 0.02 2 250 367 42 TYR HD1 H 6.715 0.02 3 251 367 42 TYR HD2 H 6.715 0.02 3 252 367 42 TYR HE1 H 6.883 0.02 3 253 367 42 TYR HE2 H 6.883 0.02 3 254 367 42 TYR C C 174.307 0.1 1 255 367 42 TYR CA C 61.064 0.1 1 256 367 42 TYR CB C 34.242 0.1 1 257 367 42 TYR CD1 C 131.791 0.1 3 258 367 42 TYR CE1 C 119.102 0.1 3 259 367 42 TYR N N 110.700 0.1 1 260 368 43 PHE H H 7.666 0.02 1 261 368 43 PHE HA H 4.666 0.02 1 262 368 43 PHE HB2 H 3.887 0.02 2 263 368 43 PHE HB3 H 3.577 0.02 2 264 368 43 PHE HD1 H 7.646 0.02 3 265 368 43 PHE HD2 H 7.646 0.02 3 266 368 43 PHE HE1 H 7.278 0.02 3 267 368 43 PHE HE2 H 7.278 0.02 3 268 368 43 PHE HZ H 6.967 0.02 1 269 368 43 PHE C C 177.162 0.1 1 270 368 43 PHE CA C 56.561 0.1 1 271 368 43 PHE CB C 36.514 0.1 1 272 368 43 PHE CD1 C 133.344 0.1 3 273 368 43 PHE CE1 C 130.496 0.1 3 274 368 43 PHE CZ C 127.906 0.1 1 275 368 43 PHE N N 111.305 0.1 1 276 369 44 GLY H H 7.671 0.02 1 277 369 44 GLY HA2 H 4.511 0.02 2 278 369 44 GLY HA3 H 3.984 0.02 2 279 369 44 GLY C C 174.446 0.1 1 280 369 44 GLY CA C 45.780 0.1 1 281 369 44 GLY N N 106.300 0.1 1 282 370 45 ASP H H 8.331 0.02 1 283 370 45 ASP HA H 5.323 0.02 1 284 370 45 ASP HB2 H 2.997 0.02 2 285 370 45 ASP HB3 H 2.997 0.02 2 286 370 45 ASP C C 176.360 0.1 1 287 370 45 ASP CA C 53.322 0.1 1 288 370 45 ASP CB C 41.391 0.1 1 289 370 45 ASP N N 122.876 0.1 1 290 371 46 ALA H H 8.282 0.02 1 291 371 46 ALA HA H 3.600 0.02 1 292 371 46 ALA HB H 1.461 0.02 1 293 371 46 ALA C C 179.111 0.1 1 294 371 46 ALA CA C 56.038 0.1 1 295 371 46 ALA CB C 17.942 0.1 1 296 371 46 ALA N N 121.771 0.1 1 297 372 47 ASP H H 9.068 0.02 1 298 372 47 ASP HA H 4.359 0.02 1 299 372 47 ASP HB2 H 2.717 0.02 2 300 372 47 ASP HB3 H 2.717 0.02 2 301 372 47 ASP C C 177.019 0.1 1 302 372 47 ASP CA C 55.832 0.1 1 303 372 47 ASP CB C 39.190 0.1 1 304 372 47 ASP N N 116.273 0.1 1 305 373 48 LYS H H 8.050 0.02 1 306 373 48 LYS HA H 4.723 0.02 1 307 373 48 LYS HB2 H 2.063 0.02 2 308 373 48 LYS HB3 H 1.675 0.02 2 309 373 48 LYS HG2 H 1.477 0.02 2 310 373 48 LYS HG3 H 1.325 0.02 2 311 373 48 LYS HD2 H 1.804 0.02 2 312 373 48 LYS HD3 H 1.610 0.02 2 313 373 48 LYS HE2 H 3.102 0.02 2 314 373 48 LYS HE3 H 3.033 0.02 2 315 373 48 LYS C C 175.542 0.1 1 316 373 48 LYS CA C 54.787 0.1 1 317 373 48 LYS CB C 32.179 0.1 1 318 373 48 LYS CG C 24.933 0.1 1 319 373 48 LYS CD C 29.792 0.1 1 320 373 48 LYS CE C 42.191 0.1 1 321 373 48 LYS N N 120.180 0.1 1 322 374 49 ALA H H 7.045 0.02 1 323 374 49 ALA HA H 3.068 0.02 1 324 374 49 ALA HB H 0.593 0.02 1 325 374 49 ALA C C 177.781 0.1 1 326 374 49 ALA CA C 56.962 0.1 1 327 374 49 ALA CB C 17.855 0.1 1 328 374 49 ALA N N 122.498 0.1 1 329 375 50 THR H H 8.285 0.02 1 330 375 50 THR HA H 4.044 0.02 1 331 375 50 THR HB H 4.142 0.02 1 332 375 50 THR HG2 H 1.266 0.02 1 333 375 50 THR C C 177.647 0.1 1 334 375 50 THR CA C 66.201 0.1 1 335 375 50 THR CB C 68.334 0.1 1 336 375 50 THR CG2 C 22.121 0.1 1 337 375 50 THR N N 108.573 0.1 1 338 376 51 THR H H 7.359 0.02 1 339 376 51 THR HA H 4.147 0.02 1 340 376 51 THR HB H 4.186 0.02 1 341 376 51 THR HG2 H 1.269 0.02 1 342 376 51 THR C C 175.499 0.1 1 343 376 51 THR CA C 66.145 0.1 1 344 376 51 THR CB C 69.382 0.1 1 345 376 51 THR CG2 C 21.474 0.1 1 346 376 51 THR N N 120.018 0.1 1 347 377 52 ILE H H 8.346 0.02 1 348 377 52 ILE HA H 3.168 0.02 1 349 377 52 ILE HB H 1.605 0.02 1 350 377 52 ILE HG12 H 1.041 0.02 2 351 377 52 ILE HG13 H -0.728 0.02 2 352 377 52 ILE HG2 H 0.949 0.02 2 353 377 52 ILE HD1 H 0.590 0.02 1 354 377 52 ILE C C 177.879 0.1 1 355 377 52 ILE CA C 67.070 0.1 1 356 377 52 ILE CB C 38.257 0.1 1 357 377 52 ILE CG1 C 28.272 0.1 1 358 377 52 ILE CG2 C 17.589 0.1 1 359 377 52 ILE CD1 C 15.971 0.1 1 360 377 52 ILE N N 122.319 0.1 1 361 378 53 ASP H H 8.991 0.02 1 362 378 53 ASP HA H 4.739 0.02 1 363 378 53 ASP HB2 H 2.798 0.02 2 364 378 53 ASP HB3 H 2.701 0.02 2 365 378 53 ASP C C 180.094 0.1 1 366 378 53 ASP CA C 58.044 0.1 1 367 378 53 ASP CB C 39.648 0.1 1 368 378 53 ASP N N 117.696 0.1 1 369 379 54 GLU H H 7.946 0.02 1 370 379 54 GLU HA H 4.174 0.02 1 371 379 54 GLU HB2 H 2.361 0.02 2 372 379 54 GLU HB3 H 2.361 0.02 2 373 379 54 GLU HG2 H 2.363 0.02 2 374 379 54 GLU HG3 H 2.363 0.02 2 375 379 54 GLU C C 179.679 0.1 1 376 379 54 GLU CA C 59.572 0.1 1 377 379 54 GLU CB C 29.324 0.1 1 378 379 54 GLU CG C 34.126 0.1 1 379 379 54 GLU N N 121.956 0.1 1 380 380 55 GLN H H 8.357 0.02 1 381 380 55 GLN HA H 4.171 0.02 1 382 380 55 GLN HB2 H 2.361 0.02 2 383 380 55 GLN HB3 H 2.361 0.02 2 384 380 55 GLN HG2 H 2.450 0.02 2 385 380 55 GLN HG3 H 2.377 0.02 2 386 380 55 GLN HE21 H 7.257 0.02 2 387 380 55 GLN HE22 H 6.526 0.02 2 388 380 55 GLN C C 178.288 0.1 1 389 380 55 GLN CA C 59.994 0.1 1 390 380 55 GLN CB C 29.566 0.1 1 391 380 55 GLN CG C 35.717 0.1 1 392 380 55 GLN N N 120.733 0.1 1 393 380 55 GLN NE2 N 106.719 0.1 1 394 381 56 VAL H H 9.484 0.02 1 395 381 56 VAL HA H 3.536 0.02 1 396 381 56 VAL HB H 2.549 0.02 1 397 381 56 VAL HG1 H 1.354 0.02 2 398 381 56 VAL HG2 H 1.024 0.02 2 399 381 56 VAL C C 178.220 0.1 1 400 381 56 VAL CA C 67.557 0.1 1 401 381 56 VAL CB C 31.349 0.1 1 402 381 56 VAL CG1 C 25.358 0.1 2 403 381 56 VAL CG2 C 24.063 0.1 2 404 381 56 VAL N N 120.353 0.1 1 405 382 57 GLY H H 8.169 0.02 1 406 382 57 GLY HA2 H 3.911 0.02 2 407 382 57 GLY HA3 H 3.641 0.02 2 408 382 57 GLY C C 174.843 0.1 1 409 382 57 GLY CA C 47.694 0.1 1 410 382 57 GLY N N 106.926 0.1 1 411 383 58 LEU H H 7.568 0.02 1 412 383 58 LEU HA H 4.151 0.02 1 413 383 58 LEU HB2 H 2.147 0.02 2 414 383 58 LEU HB3 H 1.393 0.02 2 415 383 58 LEU HG H 1.919 0.02 1 416 383 58 LEU HD1 H 1.061 0.02 2 417 383 58 LEU HD2 H 0.984 0.02 2 418 383 58 LEU C C 180.087 0.1 1 419 383 58 LEU CA C 57.974 0.1 1 420 383 58 LEU CB C 42.125 0.1 1 421 383 58 LEU CG C 26.640 0.1 1 422 383 58 LEU CD1 C 26.653 0.1 2 423 383 58 LEU CD2 C 23.100 0.1 2 424 383 58 LEU N N 120.610 0.1 1 425 384 59 ILE H H 8.057 0.02 1 426 384 59 ILE HA H 3.416 0.02 1 427 384 59 ILE HB H 2.047 0.02 1 428 384 59 ILE HG12 H 0.484 0.02 2 429 384 59 ILE HG13 H 1.993 0.02 2 430 384 59 ILE HG2 H 0.663 0.02 1 431 384 59 ILE HD1 H 0.391 0.02 1 432 384 59 ILE C C 178.310 0.1 1 433 384 59 ILE CA C 66.069 0.1 1 434 384 59 ILE CB C 38.233 0.1 1 435 384 59 ILE CG1 C 30.214 0.1 1 436 384 59 ILE CG2 C 15.971 0.1 1 437 384 59 ILE CD1 C 14.352 0.1 1 438 384 59 ILE N N 120.213 0.1 1 439 385 60 VAL H H 8.672 0.02 1 440 385 60 VAL HA H 3.560 0.02 1 441 385 60 VAL HB H 2.238 0.02 1 442 385 60 VAL HG1 H 1.065 0.02 2 443 385 60 VAL HG2 H 1.105 0.02 2 444 385 60 VAL C C 177.921 0.1 1 445 385 60 VAL CA C 66.702 0.1 1 446 385 60 VAL CB C 31.565 0.1 1 447 385 60 VAL CG1 C 22.445 0.1 2 448 385 60 VAL CG2 C 23.226 0.1 2 449 385 60 VAL N N 115.546 0.1 1 450 386 61 ASP H H 7.988 0.02 1 451 386 61 ASP HA H 4.571 0.02 1 452 386 61 ASP HB2 H 2.801 0.02 2 453 386 61 ASP HB3 H 2.801 0.02 2 454 386 61 ASP C C 177.238 0.1 1 455 386 61 ASP CA C 56.184 0.1 1 456 386 61 ASP CB C 40.632 0.1 1 457 386 61 ASP N N 117.831 0.1 1 458 387 62 SER H H 7.755 0.02 1 459 387 62 SER HA H 4.577 0.02 1 460 387 62 SER HB2 H 4.018 0.02 2 461 387 62 SER HB3 H 3.858 0.02 2 462 387 62 SER C C 173.645 0.1 1 463 387 62 SER CA C 59.694 0.1 1 464 387 62 SER CB C 64.588 0.1 1 465 387 62 SER N N 114.761 0.1 1 466 388 63 LEU H H 7.083 0.02 1 467 388 63 LEU HA H 4.506 0.02 1 468 388 63 LEU HB2 H 1.759 0.02 2 469 388 63 LEU HB3 H 1.475 0.02 2 470 388 63 LEU HG H 2.296 0.02 1 471 388 63 LEU HD1 H 0.747 0.02 2 472 388 63 LEU HD2 H 0.705 0.02 2 473 388 63 LEU C C 177.071 0.1 1 474 388 63 LEU CA C 54.490 0.1 1 475 388 63 LEU CB C 42.414 0.1 1 476 388 63 LEU CG C 25.358 0.1 1 477 388 63 LEU CD1 C 26.006 0.1 2 478 388 63 LEU CD2 C 22.121 0.1 2 479 388 63 LEU N N 121.610 0.1 1 480 389 64 ASN H H 9.587 0.02 1 481 389 64 ASN HA H 4.748 0.02 1 482 389 64 ASN HB2 H 3.398 0.02 2 483 389 64 ASN HB3 H 2.919 0.02 2 484 389 64 ASN HD21 H 7.432 0.02 2 485 389 64 ASN HD22 H 7.007 0.02 2 486 389 64 ASN C C 175.144 0.1 1 487 389 64 ASN CA C 51.898 0.1 1 488 389 64 ASN CB C 37.762 0.1 1 489 389 64 ASN N N 122.154 0.1 1 490 389 64 ASN ND2 N 111.000 0.1 1 491 390 65 ASP H H 8.504 0.02 1 492 390 65 ASP HA H 4.288 0.02 1 493 390 65 ASP HB2 H 2.651 0.02 2 494 390 65 ASP HB3 H 2.651 0.02 2 495 390 65 ASP C C 178.601 0.1 1 496 390 65 ASP CA C 58.992 0.1 1 497 390 65 ASP CB C 40.168 0.1 1 498 390 65 ASP N N 116.882 0.1 1 499 391 66 GLU H H 8.318 0.02 1 500 391 66 GLU HA H 4.048 0.02 1 501 391 66 GLU HB2 H 2.138 0.02 2 502 391 66 GLU HB3 H 2.138 0.02 2 503 391 66 GLU HG2 H 2.330 0.02 2 504 391 66 GLU HG3 H 2.330 0.02 2 505 391 66 GLU C C 179.549 0.1 1 506 391 66 GLU CA C 59.943 0.1 1 507 391 66 GLU CB C 29.119 0.1 1 508 391 66 GLU CG C 36.884 0.1 1 509 391 66 GLU N N 119.807 0.1 1 510 392 67 GLU H H 8.709 0.02 1 511 392 67 GLU HA H 4.151 0.02 1 512 392 67 GLU HB2 H 2.266 0.02 2 513 392 67 GLU HB3 H 1.952 0.02 2 514 392 67 GLU HG2 H 2.540 0.02 2 515 392 67 GLU HG3 H 2.540 0.02 2 516 392 67 GLU C C 180.544 0.1 1 517 392 67 GLU CA C 58.307 0.1 1 518 392 67 GLU CB C 30.933 0.1 1 519 392 67 GLU CG C 36.621 0.1 1 520 392 67 GLU N N 121.747 0.1 1 521 393 68 LEU H H 8.930 0.02 1 522 393 68 LEU HA H 3.923 0.02 1 523 393 68 LEU HB2 H 2.091 0.02 2 524 393 68 LEU HB3 H 1.477 0.02 2 525 393 68 LEU HG H 1.719 0.02 1 526 393 68 LEU HD1 H 1.033 0.02 2 527 393 68 LEU HD2 H 0.998 0.02 2 528 393 68 LEU C C 178.151 0.1 1 529 393 68 LEU CA C 58.642 0.1 1 530 393 68 LEU CB C 42.304 0.1 1 531 393 68 LEU CG C 26.977 0.1 1 532 393 68 LEU CD1 C 25.628 0.1 2 533 393 68 LEU CD2 C 26.247 0.1 2 534 393 68 LEU N N 123.523 0.1 1 535 394 69 VAL H H 7.304 0.02 1 536 394 69 VAL HA H 3.527 0.02 1 537 394 69 VAL HB H 2.163 0.02 1 538 394 69 VAL HG1 H 1.100 0.02 2 539 394 69 VAL HG2 H 0.963 0.02 2 540 394 69 VAL C C 177.701 0.1 1 541 394 69 VAL CA C 66.494 0.1 1 542 394 69 VAL CB C 32.103 0.1 1 543 394 69 VAL CG1 C 22.769 0.1 2 544 394 69 VAL CG2 C 21.150 0.1 2 545 394 69 VAL N N 118.071 0.1 1 546 395 70 SER H H 7.906 0.02 1 547 395 70 SER HA H 4.238 0.02 1 548 395 70 SER HB2 H 3.963 0.02 2 549 395 70 SER HB3 H 3.963 0.02 2 550 395 70 SER C C 177.618 0.1 1 551 395 70 SER CA C 61.410 0.1 1 552 395 70 SER CB C 63.002 0.1 1 553 395 70 SER N N 112.686 0.1 1 554 396 71 THR H H 8.511 0.02 1 555 396 71 THR HA H 3.767 0.02 1 556 396 71 THR HB H 4.105 0.02 1 557 396 71 THR HG1 H 5.183 0.02 1 558 396 71 THR HG2 H 1.019 0.02 1 559 396 71 THR C C 175.404 0.1 1 560 396 71 THR CA C 67.763 0.1 1 561 396 71 THR CB C 68.498 0.1 1 562 396 71 THR CG2 C 20.850 0.1 1 563 396 71 THR N N 118.003 0.1 1 564 397 72 ALA H H 8.268 0.02 1 565 397 72 ALA HA H 3.857 0.02 1 566 397 72 ALA HB H 1.477 0.02 1 567 397 72 ALA C C 180.173 0.1 1 568 397 72 ALA CA C 56.079 0.1 1 569 397 72 ALA CB C 17.767 0.1 1 570 397 72 ALA N N 123.373 0.1 1 571 398 73 ASP H H 8.585 0.02 1 572 398 73 ASP HA H 4.382 0.02 1 573 398 73 ASP HB2 H 2.887 0.02 2 574 398 73 ASP HB3 H 2.602 0.02 2 575 398 73 ASP C C 179.471 0.1 1 576 398 73 ASP CA C 57.692 0.1 1 577 398 73 ASP CB C 40.015 0.1 1 578 398 73 ASP N N 118.963 0.1 1 579 399 74 LYS H H 8.003 0.02 1 580 399 74 LYS HA H 4.050 0.02 1 581 399 74 LYS HB2 H 1.997 0.02 2 582 399 74 LYS HB3 H 1.893 0.02 2 583 399 74 LYS HG2 H 1.805 0.02 2 584 399 74 LYS HG3 H 1.454 0.02 2 585 399 74 LYS HD2 H 1.738 0.02 2 586 399 74 LYS HD3 H 1.642 0.02 2 587 399 74 LYS HE2 H 2.928 0.02 2 588 399 74 LYS HE3 H 2.928 0.02 2 589 399 74 LYS C C 180.082 0.1 1 590 399 74 LYS CA C 60.001 0.1 1 591 399 74 LYS CB C 34.080 0.1 1 592 399 74 LYS CG C 26.640 0.1 1 593 399 74 LYS CD C 30.186 0.1 1 594 399 74 LYS CE C 42.191 0.1 1 595 399 74 LYS N N 120.591 0.1 1 596 400 75 ILE H H 7.877 0.02 1 597 400 75 ILE HA H 3.687 0.02 1 598 400 75 ILE HB H 1.910 0.02 1 599 400 75 ILE HG12 H 1.045 0.02 2 600 400 75 ILE HG13 H 1.938 0.02 2 601 400 75 ILE HG2 H 0.975 0.02 1 602 400 75 ILE HD1 H 0.906 0.02 1 603 400 75 ILE C C 177.770 0.1 1 604 400 75 ILE CA C 64.860 0.1 1 605 400 75 ILE CB C 38.253 0.1 1 606 400 75 ILE CG1 C 30.449 0.1 1 607 400 75 ILE CG2 C 17.448 0.1 1 608 400 75 ILE CD1 C 14.029 0.1 1 609 400 75 ILE N N 120.602 0.1 1 610 401 76 LYS H H 8.260 0.02 1 611 401 76 LYS HA H 4.032 0.02 1 612 401 76 LYS HB2 H 1.940 0.02 2 613 401 76 LYS HB3 H 1.940 0.02 2 614 401 76 LYS HG2 H 1.530 0.02 2 615 401 76 LYS HG3 H 1.530 0.02 2 616 401 76 LYS HD2 H 1.733 0.02 2 617 401 76 LYS HD3 H 1.733 0.02 2 618 401 76 LYS HE2 H 2.984 0.02 2 619 401 76 LYS HE3 H 2.984 0.02 2 620 401 76 LYS C C 178.423 0.1 1 621 401 76 LYS CA C 58.735 0.1 1 622 401 76 LYS CB C 32.325 0.1 1 623 401 76 LYS CG C 25.065 0.1 1 624 401 76 LYS CD C 29.530 0.1 1 625 401 76 LYS CE C 42.191 0.1 1 626 401 76 LYS N N 120.036 0.1 1 627 402 77 ALA H H 7.564 0.02 1 628 402 77 ALA HA H 4.205 0.02 1 629 402 77 ALA HB H 1.477 0.02 1 630 402 77 ALA C C 177.949 0.1 1 631 402 77 ALA CA C 53.673 0.1 1 632 402 77 ALA CB C 19.018 0.1 1 633 402 77 ALA N N 118.655 0.1 1 634 403 78 ASN H H 7.397 0.02 1 635 403 78 ASN HA H 4.841 0.02 1 636 403 78 ASN HB2 H 2.841 0.02 2 637 403 78 ASN HB3 H 2.841 0.02 2 638 403 78 ASN HD21 H 7.711 0.02 2 639 403 78 ASN HD22 H 7.032 0.02 2 640 403 78 ASN C C 174.866 0.1 1 641 403 78 ASN CA C 52.485 0.1 1 642 403 78 ASN CB C 37.659 0.1 1 643 403 78 ASN N N 113.964 0.1 1 644 403 78 ASN ND2 N 111.131 0.1 1 645 404 79 ALA H H 9.143 0.02 1 646 404 79 ALA HA H 4.160 0.02 1 647 404 79 ALA HB H 1.519 0.02 1 648 404 79 ALA C C 180.575 0.1 1 649 404 79 ALA CA C 56.271 0.1 1 650 404 79 ALA CB C 18.357 0.1 1 651 404 79 ALA N N 131.057 0.1 1 652 405 80 ALA H H 8.315 0.02 1 653 405 80 ALA HA H 4.362 0.02 1 654 405 80 ALA HB H 1.543 0.02 1 655 405 80 ALA C C 179.218 0.1 1 656 405 80 ALA CA C 53.931 0.1 1 657 405 80 ALA CB C 18.226 0.1 1 658 405 80 ALA N N 117.862 0.1 1 659 406 81 GLY H H 7.908 0.02 1 660 406 81 GLY HA2 H 4.617 0.02 2 661 406 81 GLY HA3 H 3.731 0.02 2 662 406 81 GLY C C 175.175 0.1 1 663 406 81 GLY CA C 45.363 0.1 1 664 406 81 GLY N N 106.895 0.1 1 665 407 82 ALA H H 7.574 0.02 1 666 407 82 ALA HA H 3.971 0.02 1 667 407 82 ALA HB H 1.702 0.02 1 668 407 82 ALA C C 177.879 0.1 1 669 407 82 ALA CA C 56.076 0.1 1 670 407 82 ALA CB C 19.120 0.1 1 671 407 82 ALA N N 120.775 0.1 1 672 408 83 LYS H H 8.755 0.02 1 673 408 83 LYS HA H 3.352 0.02 1 674 408 83 LYS HB2 H 0.612 0.02 2 675 408 83 LYS HB3 H 1.491 0.02 2 676 408 83 LYS HG2 H 1.159 0.02 2 677 408 83 LYS HG3 H 0.670 0.02 2 678 408 83 LYS HD2 H 1.536 0.02 2 679 408 83 LYS HD3 H 1.460 0.02 2 680 408 83 LYS HE2 H 2.681 0.02 2 681 408 83 LYS HE3 H 2.681 0.02 2 682 408 83 LYS C C 178.064 0.1 1 683 408 83 LYS CA C 61.404 0.1 1 684 408 83 LYS CB C 31.311 0.1 1 685 408 83 LYS CG C 26.329 0.1 1 686 408 83 LYS CD C 29.890 0.1 1 687 408 83 LYS CE C 42.514 0.1 1 688 408 83 LYS N N 117.628 0.1 1 689 409 84 GLU H H 7.708 0.02 1 690 409 84 GLU HA H 3.994 0.02 1 691 409 84 GLU HB2 H 2.145 0.02 2 692 409 84 GLU HB3 H 2.145 0.02 2 693 409 84 GLU HG2 H 2.382 0.02 2 694 409 84 GLU HG3 H 2.382 0.02 2 695 409 84 GLU C C 179.508 0.1 1 696 409 84 GLU CA C 59.300 0.1 1 697 409 84 GLU CB C 28.978 0.1 1 698 409 84 GLU CG C 36.490 0.1 1 699 409 84 GLU N N 116.005 0.1 1 700 410 85 VAL H H 7.494 0.02 1 701 410 85 VAL HA H 3.786 0.02 1 702 410 85 VAL HB H 2.130 0.02 1 703 410 85 VAL HG1 H 1.051 0.02 2 704 410 85 VAL HG2 H 1.007 0.02 2 705 410 85 VAL C C 179.087 0.1 1 706 410 85 VAL CA C 66.066 0.1 1 707 410 85 VAL CB C 32.060 0.1 1 708 410 85 VAL CG1 C 22.445 0.1 2 709 410 85 VAL CG2 C 22.769 0.1 2 710 410 85 VAL N N 120.216 0.1 1 711 411 86 LEU H H 8.371 0.02 1 712 411 86 LEU HA H 3.871 0.02 1 713 411 86 LEU HB2 H 1.917 0.02 2 714 411 86 LEU HB3 H 0.610 0.02 2 715 411 86 LEU HG H 1.784 0.02 1 716 411 86 LEU HD1 H 0.640 0.02 2 717 411 86 LEU HD2 H 1.007 0.02 2 718 411 86 LEU C C 178.844 0.1 1 719 411 86 LEU CA C 58.100 0.1 1 720 411 86 LEU CB C 42.047 0.1 1 721 411 86 LEU CG C 27.624 0.1 1 722 411 86 LEU CD1 C 22.175 0.1 2 723 411 86 LEU CD2 C 25.590 0.1 2 724 411 86 LEU N N 121.293 0.1 1 725 412 87 LYS H H 8.818 0.02 1 726 412 87 LYS HA H 4.206 0.02 1 727 412 87 LYS HB2 H 1.950 0.02 2 728 412 87 LYS HB3 H 2.010 0.02 2 729 412 87 LYS HG2 H 2.094 0.02 2 730 412 87 LYS HG3 H 1.868 0.02 2 731 412 87 LYS HD2 H 1.682 0.02 2 732 412 87 LYS HD3 H 1.642 0.02 2 733 412 87 LYS HE2 H 3.010 0.02 2 734 412 87 LYS HE3 H 2.898 0.02 2 735 412 87 LYS C C 179.347 0.1 1 736 412 87 LYS CA C 60.924 0.1 1 737 412 87 LYS CB C 32.216 0.1 1 738 412 87 LYS CG C 25.590 0.1 1 739 412 87 LYS CD C 29.500 0.1 1 740 412 87 LYS CE C 41.200 0.1 1 741 412 87 LYS N N 119.536 0.1 1 742 413 88 GLU H H 7.882 0.02 1 743 413 88 GLU HA H 4.127 0.02 1 744 413 88 GLU HB2 H 2.233 0.02 2 745 413 88 GLU HB3 H 2.233 0.02 2 746 413 88 GLU HG2 H 2.454 0.02 2 747 413 88 GLU HG3 H 2.378 0.02 2 748 413 88 GLU C C 179.469 0.1 1 749 413 88 GLU CA C 59.720 0.1 1 750 413 88 GLU CB C 29.021 0.1 1 751 413 88 GLU CG C 36.096 0.1 1 752 413 88 GLU N N 120.780 0.1 1 753 414 89 SER H H 8.296 0.02 1 754 414 89 SER HA H 3.765 0.02 1 755 414 89 SER HB2 H 3.766 0.02 2 756 414 89 SER HB3 H 3.766 0.02 2 757 414 89 SER C C 176.091 0.1 1 758 414 89 SER CA C 63.550 0.1 1 759 414 89 SER CB C 63.718 0.1 1 760 414 89 SER N N 116.823 0.1 1 761 415 90 ALA H H 8.805 0.02 1 762 415 90 ALA HA H 3.831 0.02 1 763 415 90 ALA HB H 1.463 0.02 2 764 415 90 ALA C C 177.963 0.1 1 765 415 90 ALA CA C 55.415 0.1 1 766 415 90 ALA CB C 19.432 0.1 1 767 415 90 ALA N N 123.230 0.1 1 768 416 91 LYS H H 8.085 0.02 1 769 416 91 LYS HA H 3.972 0.02 1 770 416 91 LYS HB2 H 2.132 0.02 2 771 416 91 LYS HB3 H 1.941 0.02 2 772 416 91 LYS HG2 H 1.572 0.02 2 773 416 91 LYS HG3 H 1.572 0.02 2 774 416 91 LYS HD2 H 1.729 0.02 2 775 416 91 LYS HD3 H 1.729 0.02 2 776 416 91 LYS HE2 H 3.055 0.02 2 777 416 91 LYS HE3 H 3.055 0.02 2 778 416 91 LYS C C 178.198 0.1 1 779 416 91 LYS CA C 59.817 0.1 1 780 416 91 LYS CB C 32.247 0.1 1 781 416 91 LYS CG C 24.933 0.1 1 782 416 91 LYS CD C 29.136 0.1 1 783 416 91 LYS CE C 42.514 0.1 1 784 416 91 LYS N N 117.753 0.1 1 785 417 92 THR H H 7.923 0.02 1 786 417 92 THR HA H 4.075 0.02 1 787 417 92 THR HB H 4.396 0.02 1 788 417 92 THR HG2 H 1.324 0.02 1 789 417 92 THR C C 177.541 0.1 1 790 417 92 THR CA C 66.473 0.1 1 791 417 92 THR CB C 69.070 0.1 1 792 417 92 THR CG2 C 21.781 0.1 1 793 417 92 THR N N 114.597 0.1 1 794 418 93 ILE H H 7.984 0.02 1 795 418 93 ILE HA H 3.662 0.02 1 796 418 93 ILE HB H 1.982 0.02 1 797 418 93 ILE HG12 H 0.956 0.02 2 798 418 93 ILE HG13 H 1.746 0.02 2 799 418 93 ILE HG2 H 0.884 0.02 1 800 418 93 ILE HD1 H 0.821 0.02 1 801 418 93 ILE C C 178.114 0.1 1 802 418 93 ILE CA C 65.626 0.1 1 803 418 93 ILE CB C 38.297 0.1 1 804 418 93 ILE CG1 C 29.890 0.1 1 805 418 93 ILE CG2 C 18.884 0.1 1 806 418 93 ILE CD1 C 16.618 0.1 1 807 418 93 ILE N N 124.160 0.1 1 808 419 94 VAL H H 8.551 0.02 1 809 419 94 VAL HA H 4.156 0.02 1 810 419 94 VAL HB H 2.235 0.02 1 811 419 94 VAL HG1 H 1.007 0.02 2 812 419 94 VAL HG2 H 1.064 0.02 2 813 419 94 VAL C C 181.424 0.1 1 814 419 94 VAL CA C 65.808 0.1 1 815 419 94 VAL CB C 31.892 0.1 1 816 419 94 VAL CG1 C 23.092 0.1 2 817 419 94 VAL CG2 C 21.797 0.1 2 818 419 94 VAL N N 121.566 0.1 1 819 420 95 ASP H H 9.354 0.02 1 820 420 95 ASP HA H 4.477 0.02 1 821 420 95 ASP HB2 H 2.905 0.02 2 822 420 95 ASP HB3 H 2.698 0.02 2 823 420 95 ASP C C 178.220 0.1 1 824 420 95 ASP CA C 57.548 0.1 1 825 420 95 ASP CB C 39.850 0.1 1 826 420 95 ASP N N 123.788 0.1 1 827 421 96 SER H H 7.862 0.02 1 828 421 96 SER HA H 4.526 0.02 1 829 421 96 SER HB2 H 4.135 0.02 2 830 421 96 SER HB3 H 4.135 0.02 2 831 421 96 SER C C 175.345 0.1 1 832 421 96 SER CA C 59.433 0.1 1 833 421 96 SER CB C 64.264 0.1 1 834 421 96 SER N N 111.960 0.1 1 835 422 97 GLY H H 8.063 0.02 1 836 422 97 GLY HA2 H 4.229 0.02 2 837 422 97 GLY HA3 H 3.980 0.02 2 838 422 97 GLY C C 175.158 0.1 1 839 422 97 GLY CA C 45.606 0.1 1 840 422 97 GLY N N 110.240 0.1 1 841 423 98 LYS H H 7.992 0.02 1 842 423 98 LYS HA H 4.083 0.02 1 843 423 98 LYS HB2 H 1.884 0.02 2 844 423 98 LYS HB3 H 1.884 0.02 2 845 423 98 LYS HG2 H 1.593 0.02 2 846 423 98 LYS HG3 H 1.477 0.02 2 847 423 98 LYS HD2 H 1.795 0.02 2 848 423 98 LYS HD3 H 1.733 0.02 2 849 423 98 LYS HE2 H 3.111 0.02 2 850 423 98 LYS HE3 H 3.073 0.02 2 851 423 98 LYS C C 176.681 0.1 1 852 423 98 LYS CA C 59.417 0.1 1 853 423 98 LYS CB C 33.453 0.1 1 854 423 98 LYS CG C 26.000 0.1 1 855 423 98 LYS CD C 29.900 0.1 1 856 423 98 LYS CE C 42.200 0.1 1 857 423 98 LYS N N 120.213 0.1 1 858 424 99 LEU H H 6.865 0.02 1 859 424 99 LEU HA H 4.848 0.02 1 860 424 99 LEU HB2 H 1.326 0.02 2 861 424 99 LEU HB3 H 1.261 0.02 2 862 424 99 LEU HG H 1.451 0.02 1 863 424 99 LEU HD1 H 0.845 0.02 2 864 424 99 LEU HD2 H 1.053 0.02 2 865 424 99 LEU C C 174.161 0.1 1 866 424 99 LEU CA C 52.225 0.1 1 867 424 99 LEU CB C 46.075 0.1 1 868 424 99 LEU CG C 27.300 0.1 1 869 424 99 LEU CD1 C 27.300 0.1 2 870 424 99 LEU CD2 C 23.740 0.1 2 871 424 99 LEU N N 114.357 0.1 1 872 425 100 PRO HA H 4.650 0.02 1 873 425 100 PRO HB2 H 2.087 0.02 2 874 425 100 PRO HB3 H 2.408 0.02 2 875 425 100 PRO HG2 H 2.068 0.02 2 876 425 100 PRO HG3 H 2.068 0.02 2 877 425 100 PRO HD2 H 3.859 0.02 2 878 425 100 PRO HD3 H 3.575 0.02 2 879 425 100 PRO C C 177.559 0.1 1 880 425 100 PRO CA C 61.643 0.1 1 881 425 100 PRO CB C 32.422 0.1 1 882 425 100 PRO CG C 27.300 0.1 1 883 425 100 PRO CD C 50.607 0.1 1 884 426 101 SER H H 8.999 0.02 1 885 426 101 SER HA H 3.824 0.02 1 886 426 101 SER HB2 H 3.947 0.02 2 887 426 101 SER HB3 H 3.947 0.02 2 888 426 101 SER C C 177.202 0.1 1 889 426 101 SER CA C 61.708 0.1 1 890 426 101 SER CB C 62.706 0.1 1 891 426 101 SER N N 117.043 0.1 1 892 427 102 SER H H 8.115 0.02 1 893 427 102 SER HA H 4.112 0.02 1 894 427 102 SER HB2 H 3.956 0.02 2 895 427 102 SER HB3 H 3.956 0.02 2 896 427 102 SER C C 176.526 0.1 1 897 427 102 SER CA C 60.650 0.1 1 898 427 102 SER CB C 62.213 0.1 1 899 427 102 SER N N 114.761 0.1 1 900 428 103 LEU H H 7.320 0.02 1 901 428 103 LEU HA H 4.435 0.02 1 902 428 103 LEU HB2 H 1.738 0.02 2 903 428 103 LEU HB3 H 1.738 0.02 2 904 428 103 LEU HG H 1.735 0.02 1 905 428 103 LEU HD1 H 1.035 0.02 2 906 428 103 LEU HD2 H 0.954 0.02 2 907 428 103 LEU C C 176.698 0.1 1 908 428 103 LEU CA C 55.847 0.1 1 909 428 103 LEU CB C 42.586 0.1 1 910 428 103 LEU CG C 28.216 0.1 1 911 428 103 LEU CD1 C 26.044 0.1 2 912 428 103 LEU CD2 C 23.100 0.1 2 913 428 103 LEU N N 120.408 0.1 1 914 429 104 LEU H H 7.325 0.02 1 915 429 104 LEU HA H 4.995 0.02 1 916 429 104 LEU HB2 H 1.492 0.02 2 917 429 104 LEU HB3 H 1.847 0.02 2 918 429 104 LEU HG H 1.392 0.02 1 919 429 104 LEU HD1 H 1.003 0.02 2 920 429 104 LEU HD2 H 0.826 0.02 2 921 429 104 LEU C C 178.320 0.1 1 922 429 104 LEU CA C 52.672 0.1 1 923 429 104 LEU CB C 43.039 0.1 1 924 429 104 LEU CG C 26.600 0.1 1 925 429 104 LEU CD1 C 24.711 0.1 2 926 429 104 LEU CD2 C 26.977 0.1 2 927 429 104 LEU N N 117.860 0.1 1 928 430 105 SER H H 6.990 0.02 1 929 430 105 SER HA H 4.259 0.02 1 930 430 105 SER HB2 H 4.062 0.02 2 931 430 105 SER HB3 H 4.062 0.02 2 932 430 105 SER C C 175.288 0.1 1 933 430 105 SER CA C 61.247 0.1 1 934 430 105 SER CB C 64.058 0.1 1 935 430 105 SER N N 112.664 0.1 1 936 431 106 TYR H H 10.433 0.02 1 937 431 106 TYR HA H 4.060 0.02 1 938 431 106 TYR HB2 H 2.748 0.02 2 939 431 106 TYR HB3 H 2.389 0.02 2 940 431 106 TYR HD1 H 5.735 0.02 3 941 431 106 TYR HD2 H 5.735 0.02 3 942 431 106 TYR HE1 H 6.415 0.02 3 943 431 106 TYR HE2 H 6.415 0.02 3 944 431 106 TYR C C 176.064 0.1 1 945 431 106 TYR CA C 61.449 0.1 1 946 431 106 TYR CB C 38.282 0.1 1 947 431 106 TYR CD1 C 133.085 0.1 3 948 431 106 TYR CE1 C 116.771 0.1 3 949 431 106 TYR N N 125.624 0.1 1 950 432 107 PHE H H 7.955 0.02 1 951 432 107 PHE HA H 4.314 0.02 1 952 432 107 PHE HB2 H 3.391 0.02 2 953 432 107 PHE HB3 H 2.614 0.02 2 954 432 107 PHE HD1 H 7.309 0.02 3 955 432 107 PHE HD2 H 7.309 0.02 3 956 432 107 PHE HE1 H 7.374 0.02 3 957 432 107 PHE HE2 H 7.374 0.02 3 958 432 107 PHE HZ H 7.238 0.02 1 959 432 107 PHE C C 173.901 0.1 1 960 432 107 PHE CA C 59.810 0.1 1 961 432 107 PHE CB C 43.249 0.1 1 962 432 107 PHE CD2 C 132.309 0.1 3 963 432 107 PHE CE2 C 131.791 0.1 3 964 432 107 PHE CZ C 129.978 0.1 1 965 432 107 PHE N N 113.203 0.1 1 966 433 108 VAL H H 7.399 0.02 1 967 433 108 VAL HA H 4.168 0.02 1 968 433 108 VAL HB H 2.152 0.02 1 969 433 108 VAL HG1 H 0.898 0.02 2 970 433 108 VAL HG2 H 0.845 0.02 2 971 433 108 VAL C C 180.272 0.1 1 972 433 108 VAL CA C 62.908 0.1 1 973 433 108 VAL CB C 33.451 0.1 1 974 433 108 VAL CG1 C 22.121 0.1 2 975 433 108 VAL CG2 C 20.179 0.1 2 976 433 108 VAL N N 119.967 0.1 1 stop_ save_