data_19204 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for BAF155 SWIRM ; _BMRB_accession_number 19204 _BMRB_flat_file_name bmr19204.str _Entry_type original _Submission_date 2013-04-30 _Accession_date 2013-04-30 _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 Moon Sunjin . . 2 Lee Weontae . . 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" 280 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-09 update BMRB 'update entry citation' 2013-05-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (15)N, and (13)C resonance assignments and secondary structure of the SWIRM domain of human BAF155, a chromatin remodeling complex component.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23996527 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moon Sunjin . . 2 Shin Joon . . 3 Lee Dongju . . 4 Seong Rho H. . 5 Lee Weontae . . stop_ _Journal_abbreviation 'Mol. Cells' _Journal_name_full 'Molecules and cells' _Journal_volume 36 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 333 _Page_last 339 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BAF155 SWIRM domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BAF155 SWIRM domain' $BAF155_SWIRM_domain 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_BAF155_SWIRM_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BAF155_SWIRM_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; IIIPSYASWFDYNCIHVIER RALPEFFNGKNKSKTPEIYL AYRNFMIDTYRLNPQEYLTS TACRRNLTGDVCAVMRVHAF LEQWGLVNYQVDPESRPM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 446 ILE 2 447 ILE 3 448 ILE 4 449 PRO 5 450 SER 6 451 TYR 7 452 ALA 8 453 SER 9 454 TRP 10 455 PHE 11 456 ASP 12 457 TYR 13 458 ASN 14 459 CYS 15 460 ILE 16 461 HIS 17 462 VAL 18 463 ILE 19 464 GLU 20 465 ARG 21 466 ARG 22 467 ALA 23 468 LEU 24 469 PRO 25 470 GLU 26 471 PHE 27 472 PHE 28 473 ASN 29 474 GLY 30 475 LYS 31 476 ASN 32 477 LYS 33 478 SER 34 479 LYS 35 480 THR 36 481 PRO 37 482 GLU 38 483 ILE 39 484 TYR 40 485 LEU 41 486 ALA 42 487 TYR 43 488 ARG 44 489 ASN 45 490 PHE 46 491 MET 47 492 ILE 48 493 ASP 49 494 THR 50 495 TYR 51 496 ARG 52 497 LEU 53 498 ASN 54 499 PRO 55 500 GLN 56 501 GLU 57 502 TYR 58 503 LEU 59 504 THR 60 505 SER 61 506 THR 62 507 ALA 63 508 CYS 64 509 ARG 65 510 ARG 66 511 ASN 67 512 LEU 68 513 THR 69 514 GLY 70 515 ASP 71 516 VAL 72 517 CYS 73 518 ALA 74 519 VAL 75 520 MET 76 521 ARG 77 522 VAL 78 523 HIS 79 524 ALA 80 525 PHE 81 526 LEU 82 527 GLU 83 528 GLN 84 529 TRP 85 530 GLY 86 531 LEU 87 532 VAL 88 533 ASN 89 534 TYR 90 535 GLN 91 536 VAL 92 537 ASP 93 538 PRO 94 539 GLU 95 540 SER 96 541 ARG 97 542 PRO 98 543 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 DBJ BAE25395 "unnamed protein product [Mus musculus]" 100.00 1104 100.00 100.00 1.76e-63 DBJ BAE25713 "unnamed protein product [Mus musculus]" 100.00 1098 100.00 100.00 6.92e-64 DBJ BAE25978 "unnamed protein product [Mus musculus]" 100.00 1104 100.00 100.00 1.61e-63 DBJ BAG63721 "unnamed protein product [Homo sapiens]" 54.08 612 100.00 100.00 3.01e-29 DBJ BAG63813 "unnamed protein product [Homo sapiens]" 100.00 996 100.00 100.00 2.29e-63 GB AAB42085 "SRG3 [Mus musculus]" 100.00 1100 96.94 96.94 1.83e-59 GB AAC50693 "SWI/SNF complex 155 KDa subunit [Homo sapiens]" 100.00 1104 96.94 97.96 6.40e-61 GB AAH21862 "SMARCC1 protein, partial [Homo sapiens]" 100.00 817 100.00 100.00 1.45e-64 GB AAH32564 "SMARCC1 protein, partial [Homo sapiens]" 100.00 814 98.98 98.98 1.29e-63 GB AAH39843 "SMARCC1 protein, partial [Homo sapiens]" 100.00 817 100.00 100.00 1.45e-64 REF NP_001100331 "SWI/SNF complex subunit SMARCC1 [Rattus norvegicus]" 100.00 1078 100.00 100.00 5.23e-64 REF NP_003065 "SWI/SNF complex subunit SMARCC1 [Homo sapiens]" 100.00 1105 100.00 100.00 1.06e-63 REF NP_033237 "SWI/SNF complex subunit SMARCC1 [Mus musculus]" 100.00 1104 100.00 100.00 1.76e-63 REF XP_001154676 "PREDICTED: SWI/SNF complex subunit SMARCC1 isoform X1 [Pan troglodytes]" 100.00 1105 100.00 100.00 1.19e-63 REF XP_001366921 "PREDICTED: SWI/SNF complex subunit SMARCC1 [Monodelphis domestica]" 100.00 1107 100.00 100.00 7.35e-64 SP P97496 "RecName: Full=SWI/SNF complex subunit SMARCC1; AltName: Full=BRG1-associated factor 155; AltName: Full=SWI/SNF complex 155 kDa " 100.00 1104 100.00 100.00 1.76e-63 SP Q92922 "RecName: Full=SWI/SNF complex subunit SMARCC1; AltName: Full=BRG1-associated factor 155; Short=BAF155; AltName: Full=SWI/SNF co" 100.00 1105 100.00 100.00 1.06e-63 TPG DAA17059 "TPA: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin c2-like [Bos taurus]" 100.00 1165 100.00 100.00 7.05e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BAF155_SWIRM_domain Human 9606 Eukaryota Metazoa Homo sapiens 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 $BAF155_SWIRM_domain 'purified from the natural source' . Escherichia coli . pMAL-c2X 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 $BAF155_SWIRM_domain 0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 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' 0.1 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name 'BAF155 SWIRM domain' _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 1 446 1 ILE HA H 4.534 0.005 . 2 446 1 ILE HB H 1.911 0.004 . 3 446 1 ILE HG12 H 1.467 0.005 . 4 446 1 ILE HG13 H 1.384 0.005 . 5 446 1 ILE HG2 H 0.896 0.005 . 6 446 1 ILE HD1 H 0.900 0.005 . 7 446 1 ILE CA C 60.177 0.029 . 8 446 1 ILE CB C 38.483 0.036 . 9 446 1 ILE CG1 C 27.582 0.019 . 10 446 1 ILE CG2 C 17.711 0.019 . 11 446 1 ILE CD1 C 12.189 0.001 . 12 447 2 ILE H H 7.939 0.001 . 13 447 2 ILE HA H 4.353 0.004 . 14 447 2 ILE HB H 1.760 0.004 . 15 447 2 ILE HG12 H 1.531 0.007 . 16 447 2 ILE HG13 H 1.153 0.004 . 17 447 2 ILE HG2 H 0.917 0.006 . 18 447 2 ILE HD1 H 0.901 0.005 . 19 447 2 ILE CA C 60.604 0.010 . 20 447 2 ILE CB C 40.196 0.012 . 21 447 2 ILE CG1 C 27.253 0.010 . 22 447 2 ILE CG2 C 17.661 0.034 . 23 447 2 ILE CD1 C 12.969 0.023 . 24 447 2 ILE N N 126.498 0.013 . 25 448 3 ILE H H 7.981 0.001 . 26 448 3 ILE HA H 4.481 0.004 . 27 448 3 ILE HB H 1.583 0.004 . 28 448 3 ILE HG12 H 1.250 0.005 . 29 448 3 ILE HG13 H 0.953 0.005 . 30 448 3 ILE HG2 H 0.764 0.005 . 31 448 3 ILE HD1 H 0.656 0.005 . 32 448 3 ILE CA C 57.684 0.041 . 33 448 3 ILE CB C 39.263 0.006 . 34 448 3 ILE CG1 C 25.753 0.009 . 35 448 3 ILE CG2 C 17.910 0.017 . 36 448 3 ILE CD1 C 13.322 0.004 . 37 448 3 ILE N N 122.819 0.037 . 38 451 6 TYR HA H 4.870 0.018 . 39 451 6 TYR HB2 H 3.656 0.003 . 40 451 6 TYR HB3 H 3.168 0.009 . 41 451 6 TYR HD1 H 7.271 0.000 . 42 451 6 TYR CA C 56.860 0.062 . 43 451 6 TYR CB C 37.093 0.008 . 44 452 7 ALA H H 7.554 0.003 . 45 452 7 ALA HA H 4.470 0.005 . 46 452 7 ALA HB H 1.258 0.008 . 47 452 7 ALA CA C 51.554 0.056 . 48 452 7 ALA CB C 18.301 0.013 . 49 452 7 ALA N N 124.216 0.025 . 50 453 8 SER H H 7.454 0.005 . 51 453 8 SER HA H 3.989 0.007 . 52 453 8 SER HB2 H 4.124 0.004 . 53 453 8 SER HB3 H 4.124 0.004 . 54 453 8 SER CA C 61.351 0.030 . 55 453 8 SER CB C 63.303 0.049 . 56 453 8 SER N N 113.673 0.046 . 57 454 9 TRP H H 6.541 0.006 . 58 454 9 TRP HA H 4.323 0.003 . 59 454 9 TRP HB2 H 2.865 0.006 . 60 454 9 TRP HB3 H 2.729 0.006 . 61 454 9 TRP CA C 55.202 0.024 . 62 454 9 TRP CB C 28.396 0.012 . 63 454 9 TRP N N 117.918 0.038 . 64 455 10 PHE H H 6.695 0.003 . 65 455 10 PHE HA H 3.622 0.003 . 66 455 10 PHE HB2 H 2.329 0.009 . 67 455 10 PHE HB3 H 1.585 0.002 . 68 455 10 PHE HD1 H 6.915 0.001 . 69 455 10 PHE CA C 61.353 0.044 . 70 455 10 PHE CB C 38.880 0.015 . 71 455 10 PHE N N 123.512 0.036 . 72 456 11 ASP H H 7.091 0.004 . 73 456 11 ASP HA H 4.332 0.008 . 74 456 11 ASP HB2 H 2.788 0.005 . 75 456 11 ASP HB3 H 2.414 0.007 . 76 456 11 ASP CA C 53.287 0.022 . 77 456 11 ASP CB C 44.545 0.023 . 78 456 11 ASP N N 127.463 0.054 . 79 457 12 TYR H H 8.369 0.006 . 80 457 12 TYR HA H 3.806 0.005 . 81 457 12 TYR HB2 H 3.096 0.009 . 82 457 12 TYR HB3 H 2.751 0.006 . 83 457 12 TYR HD1 H 7.092 0.006 . 84 457 12 TYR HE1 H 6.978 0.012 . 85 457 12 TYR CA C 61.345 0.015 . 86 457 12 TYR CB C 40.806 0.052 . 87 457 12 TYR N N 127.598 0.050 . 88 458 13 ASN H H 8.575 0.002 . 89 458 13 ASN HA H 4.822 0.005 . 90 458 13 ASN HB2 H 3.021 0.005 . 91 458 13 ASN HB3 H 2.815 0.005 . 92 458 13 ASN CA C 53.918 0.040 . 93 458 13 ASN CB C 40.402 0.028 . 94 458 13 ASN N N 111.088 0.044 . 95 459 14 CYS H H 7.836 0.002 . 96 459 14 CYS HA H 4.931 0.011 . 97 459 14 CYS HB2 H 3.054 0.005 . 98 459 14 CYS HB3 H 2.852 0.006 . 99 459 14 CYS CA C 57.394 0.027 . 100 459 14 CYS CB C 32.195 0.017 . 101 459 14 CYS N N 116.601 0.006 . 102 460 15 ILE H H 8.378 0.003 . 103 460 15 ILE HA H 4.574 0.005 . 104 460 15 ILE HB H 1.708 0.011 . 105 460 15 ILE HG12 H 1.821 0.004 . 106 460 15 ILE HG13 H 1.079 0.004 . 107 460 15 ILE HG2 H 1.286 0.005 . 108 460 15 ILE HD1 H 0.829 0.006 . 109 460 15 ILE CA C 61.656 0.023 . 110 460 15 ILE CB C 40.649 0.065 . 111 460 15 ILE CG1 C 28.799 0.005 . 112 460 15 ILE CG2 C 15.121 0.003 . 113 460 15 ILE CD1 C 19.200 0.000 . 114 460 15 ILE N N 121.164 0.049 . 115 461 16 HIS H H 10.263 0.002 . 116 461 16 HIS HA H 4.528 0.006 . 117 461 16 HIS HB2 H 3.837 0.004 . 118 461 16 HIS HB3 H 2.871 0.005 . 119 461 16 HIS CA C 57.849 0.075 . 120 461 16 HIS CB C 34.399 0.024 . 121 461 16 HIS N N 133.287 0.036 . 122 462 17 VAL H H 7.740 0.003 . 123 462 17 VAL HA H 3.528 0.004 . 124 462 17 VAL HB H 1.898 0.008 . 125 462 17 VAL HG1 H 0.852 0.006 . 126 462 17 VAL HG2 H 0.785 0.006 . 127 462 17 VAL CA C 66.626 0.035 . 128 462 17 VAL CB C 31.485 0.047 . 129 462 17 VAL CG1 C 21.973 0.013 . 130 462 17 VAL CG2 C 20.548 0.019 . 131 462 17 VAL N N 128.070 0.040 . 132 463 18 ILE H H 11.307 0.008 . 133 463 18 ILE HA H 3.288 0.003 . 134 463 18 ILE HB H 0.376 0.007 . 135 463 18 ILE HG12 H 1.362 0.006 . 136 463 18 ILE HG13 H 0.673 0.005 . 137 463 18 ILE HG2 H 0.100 0.005 . 138 463 18 ILE HD1 H -0.455 0.008 . 139 463 18 ILE CA C 66.758 0.012 . 140 463 18 ILE CB C 38.262 0.026 . 141 463 18 ILE CG1 C 30.750 0.013 . 142 463 18 ILE CG2 C 16.398 0.021 . 143 463 18 ILE CD1 C 12.007 0.017 . 144 463 18 ILE N N 125.909 0.028 . 145 464 19 GLU H H 6.850 0.003 . 146 464 19 GLU HA H 3.513 0.003 . 147 464 19 GLU HB2 H 2.367 0.005 . 148 464 19 GLU HB3 H 1.923 0.003 . 149 464 19 GLU HG2 H 2.689 0.001 . 150 464 19 GLU HG3 H 2.689 0.001 . 151 464 19 GLU CA C 59.038 0.047 . 152 464 19 GLU CB C 29.634 0.069 . 153 464 19 GLU N N 117.399 0.013 . 154 465 20 ARG H H 6.703 0.002 . 155 465 20 ARG HA H 3.229 0.008 . 156 465 20 ARG HB2 H 1.335 0.004 . 157 465 20 ARG HB3 H 1.069 0.006 . 158 465 20 ARG HG2 H 0.886 0.010 . 159 465 20 ARG HG3 H 0.848 0.004 . 160 465 20 ARG HD2 H 2.815 0.006 . 161 465 20 ARG HD3 H 2.698 0.006 . 162 465 20 ARG CA C 58.437 0.062 . 163 465 20 ARG CB C 29.848 0.029 . 164 465 20 ARG CG C 27.599 0.001 . 165 465 20 ARG CD C 43.400 0.000 . 166 465 20 ARG N N 114.922 0.037 . 167 466 21 ARG H H 7.956 0.007 . 168 466 21 ARG HA H 3.939 0.003 . 169 466 21 ARG HB2 H 1.815 0.007 . 170 466 21 ARG HB3 H 1.681 0.005 . 171 466 21 ARG HG2 H 1.734 0.007 . 172 466 21 ARG HG3 H 1.590 0.005 . 173 466 21 ARG HD2 H 3.085 0.006 . 174 466 21 ARG HD3 H 3.085 0.006 . 175 466 21 ARG CA C 58.110 0.032 . 176 466 21 ARG CB C 30.701 0.013 . 177 466 21 ARG CG C 27.941 0.014 . 178 466 21 ARG CD C 43.737 0.034 . 179 466 21 ARG N N 115.300 0.001 . 180 467 22 ALA H H 7.235 0.003 . 181 467 22 ALA HA H 4.334 0.009 . 182 467 22 ALA HB H 1.601 0.012 . 183 467 22 ALA CA C 54.409 0.044 . 184 467 22 ALA CB C 21.716 0.063 . 185 467 22 ALA N N 120.378 0.035 . 186 468 23 LEU H H 7.203 0.003 . 187 468 23 LEU HA H 5.077 0.008 . 188 468 23 LEU HB2 H 1.745 0.004 . 189 468 23 LEU HB3 H 1.745 0.004 . 190 468 23 LEU HG H 1.343 0.006 . 191 468 23 LEU HD1 H 1.088 0.006 . 192 468 23 LEU HD2 H 0.866 0.006 . 193 468 23 LEU CA C 52.396 0.057 . 194 468 23 LEU CB C 42.461 0.030 . 195 468 23 LEU CG C 26.513 0.010 . 196 468 23 LEU CD1 C 25.508 0.037 . 197 468 23 LEU CD2 C 28.160 0.029 . 198 468 23 LEU N N 118.289 0.023 . 199 469 24 PRO HA H 4.606 0.005 . 200 469 24 PRO HB2 H 2.398 0.005 . 201 469 24 PRO HB3 H 2.096 0.004 . 202 469 24 PRO HG2 H 2.071 0.006 . 203 469 24 PRO HG3 H 2.008 0.004 . 204 469 24 PRO HD2 H 3.575 0.004 . 205 469 24 PRO HD3 H 3.430 0.006 . 206 469 24 PRO CA C 65.484 0.057 . 207 469 24 PRO CB C 32.483 0.025 . 208 469 24 PRO CG C 27.573 0.019 . 209 469 24 PRO CD C 50.779 0.010 . 210 470 25 GLU H H 9.628 0.006 . 211 470 25 GLU HA H 4.230 0.005 . 212 470 25 GLU HB2 H 1.966 0.003 . 213 470 25 GLU HB3 H 1.913 0.005 . 214 470 25 GLU CA C 58.214 0.016 . 215 470 25 GLU CB C 28.096 0.012 . 216 470 25 GLU N N 119.402 0.009 . 217 471 26 PHE H H 7.104 0.002 . 218 471 26 PHE HA H 4.051 0.004 . 219 471 26 PHE HB2 H 2.237 0.005 . 220 471 26 PHE HB3 H 1.859 0.006 . 221 471 26 PHE HD1 H 7.288 0.003 . 222 471 26 PHE CA C 59.537 0.018 . 223 471 26 PHE CB C 38.718 0.033 . 224 471 26 PHE N N 115.199 0.013 . 225 472 27 PHE H H 7.478 0.002 . 226 472 27 PHE HA H 4.774 0.010 . 227 472 27 PHE HB2 H 3.544 0.009 . 228 472 27 PHE HB3 H 2.640 0.006 . 229 472 27 PHE HD1 H 7.446 0.003 . 230 472 27 PHE CA C 58.371 0.052 . 231 472 27 PHE CB C 41.548 0.008 . 232 472 27 PHE N N 113.201 0.003 . 233 473 28 ASN H H 7.431 0.007 . 234 473 28 ASN HA H 4.733 0.007 . 235 473 28 ASN HB2 H 3.267 0.006 . 236 473 28 ASN HB3 H 2.924 0.006 . 237 473 28 ASN CA C 53.005 0.052 . 238 473 28 ASN CB C 38.570 0.023 . 239 473 28 ASN N N 116.292 0.026 . 240 474 29 GLY H H 8.533 0.002 . 241 474 29 GLY HA2 H 4.034 0.004 . 242 474 29 GLY HA3 H 3.954 0.002 . 243 474 29 GLY CA C 46.550 0.023 . 244 474 29 GLY N N 109.646 0.048 . 245 475 30 LYS H H 7.655 0.003 . 246 475 30 LYS HA H 4.236 0.003 . 247 475 30 LYS HB2 H 1.881 0.003 . 248 475 30 LYS HB3 H 1.691 0.004 . 249 475 30 LYS HG2 H 1.376 0.005 . 250 475 30 LYS HG3 H 1.292 0.004 . 251 475 30 LYS HD2 H 1.667 0.004 . 252 475 30 LYS HD3 H 1.667 0.004 . 253 475 30 LYS HE2 H 3.042 0.005 . 254 475 30 LYS HE3 H 3.008 0.004 . 255 475 30 LYS CA C 57.691 0.016 . 256 475 30 LYS CB C 33.310 0.030 . 257 475 30 LYS CG C 25.451 0.002 . 258 475 30 LYS CD C 28.970 0.000 . 259 475 30 LYS CE C 42.400 0.000 . 260 475 30 LYS N N 118.302 0.021 . 261 476 31 ASN H H 8.762 0.003 . 262 476 31 ASN HA H 5.023 0.005 . 263 476 31 ASN HB2 H 2.835 0.005 . 264 476 31 ASN HB3 H 2.746 0.003 . 265 476 31 ASN CA C 52.350 0.004 . 266 476 31 ASN CB C 41.018 0.005 . 267 476 31 ASN N N 118.521 0.032 . 268 477 32 LYS HA H 4.035 0.010 . 269 477 32 LYS HB2 H 1.913 0.006 . 270 477 32 LYS HB3 H 1.913 0.006 . 271 477 32 LYS HG2 H 1.548 0.004 . 272 477 32 LYS HG3 H 1.548 0.004 . 273 477 32 LYS HD2 H 1.741 0.005 . 274 477 32 LYS HD3 H 1.741 0.005 . 275 477 32 LYS HE2 H 3.071 0.006 . 276 477 32 LYS HE3 H 3.071 0.006 . 277 477 32 LYS CA C 58.882 0.050 . 278 477 32 LYS CB C 32.256 0.042 . 279 477 32 LYS CG C 25.022 0.044 . 280 477 32 LYS CD C 29.280 0.001 . 281 477 32 LYS CE C 42.360 0.000 . 282 478 33 SER H H 8.301 0.003 . 283 478 33 SER HA H 4.539 0.005 . 284 478 33 SER HB2 H 4.016 0.005 . 285 478 33 SER HB3 H 4.016 0.005 . 286 478 33 SER CA C 58.921 0.017 . 287 478 33 SER CB C 63.826 0.019 . 288 478 33 SER N N 111.329 0.038 . 289 479 34 LYS H H 7.479 0.003 . 290 479 34 LYS HA H 4.432 0.005 . 291 479 34 LYS HB2 H 1.642 0.009 . 292 479 34 LYS HB3 H 0.965 0.006 . 293 479 34 LYS HG2 H 1.091 0.005 . 294 479 34 LYS HG3 H 0.939 0.005 . 295 479 34 LYS HD2 H 1.095 0.003 . 296 479 34 LYS HD3 H 0.987 0.005 . 297 479 34 LYS HE2 H 2.768 0.008 . 298 479 34 LYS HE3 H 2.680 0.005 . 299 479 34 LYS CA C 56.764 0.028 . 300 479 34 LYS CB C 34.603 0.016 . 301 479 34 LYS CG C 25.199 0.003 . 302 479 34 LYS CD C 30.161 0.007 . 303 479 34 LYS CE C 42.520 0.000 . 304 479 34 LYS N N 121.760 0.056 . 305 480 35 THR H H 6.325 0.002 . 306 480 35 THR HA H 5.132 0.002 . 307 480 35 THR HB H 4.833 0.005 . 308 480 35 THR HG2 H 1.280 0.002 . 309 480 35 THR CA C 58.664 0.024 . 310 480 35 THR CB C 70.172 0.000 . 311 480 35 THR CG2 C 21.980 0.000 . 312 480 35 THR N N 111.540 0.044 . 313 481 36 PRO HA H 3.942 0.002 . 314 481 36 PRO HB2 H 2.506 0.002 . 315 481 36 PRO HB3 H 2.087 0.005 . 316 481 36 PRO HG2 H 2.427 0.000 . 317 481 36 PRO HG3 H 2.140 0.003 . 318 481 36 PRO HD2 H 4.096 0.001 . 319 481 36 PRO HD3 H 4.008 0.004 . 320 481 36 PRO CA C 65.650 0.012 . 321 481 36 PRO CB C 32.340 0.015 . 322 481 36 PRO CG C 28.790 0.001 . 323 481 36 PRO CD C 51.001 0.001 . 324 482 37 GLU H H 8.257 0.002 . 325 482 37 GLU HA H 3.999 0.004 . 326 482 37 GLU HB2 H 2.113 0.003 . 327 482 37 GLU HB3 H 1.970 0.004 . 328 482 37 GLU HG2 H 2.532 0.009 . 329 482 37 GLU HG3 H 2.307 0.003 . 330 482 37 GLU CA C 60.802 0.040 . 331 482 37 GLU CB C 29.073 0.029 . 332 482 37 GLU N N 114.620 0.029 . 333 483 38 ILE H H 7.582 0.001 . 334 483 38 ILE HA H 3.716 0.005 . 335 483 38 ILE HB H 1.788 0.005 . 336 483 38 ILE HG12 H 1.593 0.004 . 337 483 38 ILE HG13 H 1.245 0.008 . 338 483 38 ILE HG2 H 0.908 0.004 . 339 483 38 ILE HD1 H 0.705 0.007 . 340 483 38 ILE CA C 64.145 0.021 . 341 483 38 ILE CB C 38.592 0.029 . 342 483 38 ILE CG1 C 29.453 0.020 . 343 483 38 ILE CG2 C 12.311 0.001 . 344 483 38 ILE CD1 C 16.810 0.022 . 345 483 38 ILE N N 123.410 0.017 . 346 484 39 TYR H H 8.009 0.003 . 347 484 39 TYR HA H 3.243 0.002 . 348 484 39 TYR HB2 H 2.781 0.003 . 349 484 39 TYR HB3 H 2.142 0.005 . 350 484 39 TYR HD1 H 7.306 0.001 . 351 484 39 TYR HE1 H 6.996 0.001 . 352 484 39 TYR CA C 62.156 0.012 . 353 484 39 TYR CB C 37.000 0.006 . 354 484 39 TYR N N 119.405 0.013 . 355 485 40 LEU H H 7.954 0.002 . 356 485 40 LEU HA H 3.434 0.007 . 357 485 40 LEU HB2 H 1.699 0.005 . 358 485 40 LEU HB3 H 1.598 0.007 . 359 485 40 LEU HG H 1.688 0.004 . 360 485 40 LEU HD1 H 0.829 0.007 . 361 485 40 LEU CA C 58.557 0.034 . 362 485 40 LEU CB C 43.012 0.025 . 363 485 40 LEU CG C 27.153 0.047 . 364 485 40 LEU CD1 C 25.014 0.030 . 365 485 40 LEU N N 117.599 0.004 . 366 486 41 ALA H H 7.384 0.002 . 367 486 41 ALA HA H 4.178 0.009 . 368 486 41 ALA HB H 1.571 0.012 . 369 486 41 ALA CA C 55.309 0.036 . 370 486 41 ALA CB C 18.084 0.065 . 371 486 41 ALA N N 119.543 0.037 . 372 487 42 TYR H H 8.535 0.003 . 373 487 42 TYR HA H 4.557 0.009 . 374 487 42 TYR HB2 H 3.480 0.005 . 375 487 42 TYR HB3 H 2.946 0.007 . 376 487 42 TYR HD1 H 6.997 0.004 . 377 487 42 TYR CA C 58.562 0.010 . 378 487 42 TYR CB C 37.942 0.011 . 379 487 42 TYR N N 118.904 0.010 . 380 488 43 ARG H H 9.006 0.005 . 381 488 43 ARG HA H 3.690 0.006 . 382 488 43 ARG HB2 H 1.586 0.004 . 383 488 43 ARG HB3 H 1.288 0.003 . 384 488 43 ARG HG2 H 2.054 0.000 . 385 488 43 ARG HG3 H 2.054 0.000 . 386 488 43 ARG CA C 59.413 0.082 . 387 488 43 ARG CB C 31.512 0.076 . 388 488 43 ARG N N 119.224 0.053 . 389 489 44 ASN H H 8.824 0.005 . 390 489 44 ASN HA H 4.481 0.004 . 391 489 44 ASN HB2 H 2.969 0.005 . 392 489 44 ASN HB3 H 2.868 0.005 . 393 489 44 ASN CA C 55.652 0.049 . 394 489 44 ASN CB C 35.769 0.003 . 395 489 44 ASN N N 117.015 0.044 . 396 490 45 PHE H H 7.772 0.002 . 397 490 45 PHE HA H 4.496 0.006 . 398 490 45 PHE HB2 H 3.562 0.008 . 399 490 45 PHE HB3 H 3.445 0.009 . 400 490 45 PHE HD1 H 7.282 0.007 . 401 490 45 PHE CA C 62.371 0.014 . 402 490 45 PHE CB C 39.457 0.020 . 403 490 45 PHE N N 119.903 0.010 . 404 491 46 MET H H 7.980 0.003 . 405 491 46 MET HA H 3.733 0.005 . 406 491 46 MET HB2 H 2.386 0.007 . 407 491 46 MET HB3 H 1.724 0.003 . 408 491 46 MET CA C 61.385 0.042 . 409 491 46 MET CB C 32.526 0.058 . 410 491 46 MET N N 121.198 0.023 . 411 492 47 ILE H H 8.060 0.002 . 412 492 47 ILE HA H 3.626 0.005 . 413 492 47 ILE HB H 2.020 0.005 . 414 492 47 ILE HG12 H 1.854 0.006 . 415 492 47 ILE HG13 H 1.065 0.009 . 416 492 47 ILE HG2 H 1.078 0.004 . 417 492 47 ILE HD1 H 0.712 0.004 . 418 492 47 ILE CA C 65.830 0.048 . 419 492 47 ILE CB C 38.636 0.057 . 420 492 47 ILE CG1 C 28.872 0.002 . 421 492 47 ILE CG2 C 15.955 0.036 . 422 492 47 ILE CD1 C 15.130 0.022 . 423 492 47 ILE N N 118.744 0.042 . 424 493 48 ASP H H 8.907 0.003 . 425 493 48 ASP HA H 4.324 0.006 . 426 493 48 ASP HB2 H 2.867 0.005 . 427 493 48 ASP HB3 H 2.581 0.008 . 428 493 48 ASP CA C 57.707 0.024 . 429 493 48 ASP CB C 40.141 0.004 . 430 493 48 ASP N N 119.267 0.045 . 431 494 49 THR H H 7.931 0.003 . 432 494 49 THR HA H 3.663 0.004 . 433 494 49 THR HB H 3.823 0.003 . 434 494 49 THR HG2 H 1.119 0.011 . 435 494 49 THR CA C 67.358 0.016 . 436 494 49 THR CB C 68.311 0.010 . 437 494 49 THR CG2 C 21.730 0.000 . 438 494 49 THR N N 115.915 0.043 . 439 495 50 TYR H H 8.312 0.003 . 440 495 50 TYR HA H 4.489 0.007 . 441 495 50 TYR HB2 H 3.264 0.004 . 442 495 50 TYR HB3 H 3.149 0.005 . 443 495 50 TYR CA C 61.298 0.006 . 444 495 50 TYR CB C 39.241 0.009 . 445 495 50 TYR N N 122.806 0.019 . 446 496 51 ARG H H 8.169 0.003 . 447 496 51 ARG HA H 3.467 0.005 . 448 496 51 ARG HB2 H 1.920 0.005 . 449 496 51 ARG HB3 H 1.920 0.005 . 450 496 51 ARG HG2 H 1.966 0.004 . 451 496 51 ARG HG3 H 1.930 0.007 . 452 496 51 ARG HD2 H 3.237 0.004 . 453 496 51 ARG HD3 H 3.237 0.004 . 454 496 51 ARG CA C 59.631 0.027 . 455 496 51 ARG CB C 29.997 0.012 . 456 496 51 ARG CG C 27.611 0.039 . 457 496 51 ARG N N 113.933 0.040 . 458 497 52 LEU H H 7.089 0.003 . 459 497 52 LEU HA H 4.132 0.007 . 460 497 52 LEU HB2 H 1.843 0.007 . 461 497 52 LEU HB3 H 1.551 0.005 . 462 497 52 LEU HG H 1.939 0.007 . 463 497 52 LEU HD1 H 0.960 0.007 . 464 497 52 LEU HD2 H 0.917 0.007 . 465 497 52 LEU CA C 57.146 0.029 . 466 497 52 LEU CB C 43.001 0.016 . 467 497 52 LEU CG C 26.400 0.001 . 468 497 52 LEU CD1 C 25.413 0.024 . 469 497 52 LEU CD2 C 23.277 0.039 . 470 497 52 LEU N N 118.303 0.013 . 471 498 53 ASN H H 7.020 0.002 . 472 498 53 ASN HA H 4.955 0.006 . 473 498 53 ASN HB2 H 2.745 0.005 . 474 498 53 ASN HB3 H 2.641 0.005 . 475 498 53 ASN CA C 51.757 0.009 . 476 498 53 ASN CB C 39.693 0.027 . 477 498 53 ASN N N 111.867 0.037 . 478 499 54 PRO HA H 3.493 0.004 . 479 499 54 PRO HB2 H 1.774 0.005 . 480 499 54 PRO HB3 H 1.675 0.004 . 481 499 54 PRO HG2 H 1.870 0.003 . 482 499 54 PRO HG3 H 1.765 0.004 . 483 499 54 PRO HD2 H 3.588 0.006 . 484 499 54 PRO HD3 H 3.362 0.004 . 485 499 54 PRO CA C 64.171 0.009 . 486 499 54 PRO CB C 31.906 0.024 . 487 499 54 PRO CG C 27.350 0.000 . 488 499 54 PRO CD C 49.543 0.008 . 489 500 55 GLN H H 8.097 0.002 . 490 500 55 GLN HA H 4.375 0.007 . 491 500 55 GLN HB2 H 2.263 0.005 . 492 500 55 GLN HB3 H 2.157 0.004 . 493 500 55 GLN HG2 H 2.519 0.005 . 494 500 55 GLN HG3 H 2.453 0.004 . 495 500 55 GLN CA C 57.020 0.042 . 496 500 55 GLN CB C 28.498 0.030 . 497 500 55 GLN CG C 34.800 0.000 . 498 500 55 GLN N N 116.604 0.009 . 499 501 56 GLU H H 7.627 0.003 . 500 501 56 GLU HA H 4.620 0.005 . 501 501 56 GLU HB2 H 2.118 0.004 . 502 501 56 GLU HB3 H 1.917 0.003 . 503 501 56 GLU HG2 H 2.257 0.004 . 504 501 56 GLU HG3 H 2.257 0.004 . 505 501 56 GLU CA C 54.679 0.096 . 506 501 56 GLU CB C 32.139 0.040 . 507 501 56 GLU N N 121.508 0.020 . 508 502 57 TYR H H 8.701 0.002 . 509 502 57 TYR HA H 4.205 0.006 . 510 502 57 TYR HB2 H 3.042 0.004 . 511 502 57 TYR HB3 H 2.944 0.004 . 512 502 57 TYR HD1 H 6.935 0.002 . 513 502 57 TYR CA C 59.516 0.012 . 514 502 57 TYR CB C 39.138 0.046 . 515 502 57 TYR N N 125.412 0.020 . 516 503 58 LEU H H 9.869 0.009 . 517 503 58 LEU HA H 4.746 0.002 . 518 503 58 LEU HB2 H 1.960 0.006 . 519 503 58 LEU HB3 H 1.689 0.008 . 520 503 58 LEU HG H 1.383 0.007 . 521 503 58 LEU HD1 H 1.086 0.005 . 522 503 58 LEU HD2 H 0.999 0.006 . 523 503 58 LEU CA C 54.445 0.023 . 524 503 58 LEU CB C 42.732 0.028 . 525 503 58 LEU CG C 27.733 0.043 . 526 503 58 LEU CD1 C 24.234 0.014 . 527 503 58 LEU CD2 C 27.993 0.010 . 528 503 58 LEU N N 133.358 0.049 . 529 504 59 THR H H 8.599 0.002 . 530 504 59 THR HA H 4.695 0.003 . 531 504 59 THR HB H 4.819 0.004 . 532 504 59 THR HG2 H 1.649 0.004 . 533 504 59 THR CA C 60.781 0.111 . 534 504 59 THR CB C 71.568 0.023 . 535 504 59 THR CG2 C 22.600 0.023 . 536 504 59 THR N N 120.909 0.039 . 537 505 60 SER H H 9.001 0.003 . 538 505 60 SER HA H 3.704 0.004 . 539 505 60 SER HB2 H 3.447 0.002 . 540 505 60 SER HB3 H 3.447 0.002 . 541 505 60 SER CA C 61.749 0.022 . 542 505 60 SER CB C 61.693 0.003 . 543 505 60 SER N N 117.703 0.010 . 544 506 61 THR H H 7.449 0.003 . 545 506 61 THR HA H 3.857 0.004 . 546 506 61 THR HB H 4.171 0.004 . 547 506 61 THR HG2 H 1.270 0.004 . 548 506 61 THR CA C 66.312 0.019 . 549 506 61 THR CB C 68.966 0.010 . 550 506 61 THR CG2 C 22.150 0.000 . 551 506 61 THR N N 117.508 0.012 . 552 507 62 ALA H H 8.122 0.005 . 553 507 62 ALA HA H 4.141 0.005 . 554 507 62 ALA HB H 1.623 0.006 . 555 507 62 ALA CA C 55.562 0.039 . 556 507 62 ALA CB C 18.527 0.050 . 557 507 62 ALA N N 125.113 0.025 . 558 508 63 CYS H H 7.343 0.003 . 559 508 63 CYS HA H 4.388 0.003 . 560 508 63 CYS HB2 H 3.242 0.003 . 561 508 63 CYS HB3 H 2.703 0.003 . 562 508 63 CYS CA C 63.194 0.012 . 563 508 63 CYS CB C 27.359 0.037 . 564 508 63 CYS N N 114.390 0.043 . 565 509 64 ARG H H 7.907 0.004 . 566 509 64 ARG HA H 4.088 0.005 . 567 509 64 ARG HB2 H 2.057 0.005 . 568 509 64 ARG HB3 H 1.988 0.008 . 569 509 64 ARG HG2 H 1.892 0.007 . 570 509 64 ARG HG3 H 1.750 0.007 . 571 509 64 ARG HD2 H 3.293 0.005 . 572 509 64 ARG HD3 H 3.182 0.004 . 573 509 64 ARG CA C 58.724 0.023 . 574 509 64 ARG CB C 30.360 0.007 . 575 509 64 ARG CG C 27.630 0.001 . 576 509 64 ARG CD C 44.273 0.025 . 577 509 64 ARG N N 118.437 0.046 . 578 510 65 ARG H H 7.504 0.009 . 579 510 65 ARG HA H 4.158 0.008 . 580 510 65 ARG HB2 H 1.923 0.003 . 581 510 65 ARG HB3 H 1.923 0.003 . 582 510 65 ARG HG2 H 1.805 0.007 . 583 510 65 ARG HG3 H 1.687 0.006 . 584 510 65 ARG HD2 H 3.247 0.006 . 585 510 65 ARG HD3 H 3.247 0.006 . 586 510 65 ARG CA C 58.511 0.012 . 587 510 65 ARG CB C 30.506 0.016 . 588 510 65 ARG CG C 27.750 0.004 . 589 510 65 ARG CD C 43.640 0.001 . 590 510 65 ARG N N 116.550 0.054 . 591 511 66 ASN H H 7.245 0.005 . 592 511 66 ASN HA H 4.747 0.008 . 593 511 66 ASN HB2 H 2.566 0.007 . 594 511 66 ASN HB3 H 2.331 0.004 . 595 511 66 ASN CA C 54.549 0.017 . 596 511 66 ASN CB C 42.222 0.027 . 597 511 66 ASN N N 114.220 0.030 . 598 512 67 LEU H H 7.485 0.001 . 599 512 67 LEU HA H 4.521 0.006 . 600 512 67 LEU HB2 H 1.481 0.005 . 601 512 67 LEU HB3 H 0.910 0.008 . 602 512 67 LEU HG H 1.215 0.007 . 603 512 67 LEU HD1 H 0.669 0.005 . 604 512 67 LEU HD2 H 0.567 0.006 . 605 512 67 LEU CA C 53.954 0.020 . 606 512 67 LEU CB C 42.704 0.031 . 607 512 67 LEU CG C 26.400 0.000 . 608 512 67 LEU CD1 C 26.497 0.012 . 609 512 67 LEU CD2 C 22.063 0.018 . 610 512 67 LEU N N 120.117 0.031 . 611 513 68 THR H H 7.975 0.002 . 612 513 68 THR HA H 4.434 0.005 . 613 513 68 THR HB H 4.395 0.005 . 614 513 68 THR HG2 H 1.222 0.006 . 615 513 68 THR CA C 61.800 0.050 . 616 513 68 THR CB C 70.028 0.027 . 617 513 68 THR CG2 C 21.780 0.000 . 618 513 68 THR N N 112.812 0.042 . 619 514 69 GLY H H 8.081 0.002 . 620 514 69 GLY HA2 H 4.214 0.001 . 621 514 69 GLY HA3 H 4.064 0.004 . 622 514 69 GLY CA C 45.077 0.007 . 623 514 69 GLY N N 110.006 0.016 . 624 515 70 ASP H H 8.322 0.002 . 625 515 70 ASP HA H 4.629 0.003 . 626 515 70 ASP HB2 H 2.927 0.003 . 627 515 70 ASP HB3 H 2.780 0.005 . 628 515 70 ASP CA C 54.402 0.022 . 629 515 70 ASP CB C 41.839 0.007 . 630 515 70 ASP N N 120.997 0.093 . 631 516 71 VAL H H 8.543 0.001 . 632 516 71 VAL HA H 3.730 0.007 . 633 516 71 VAL HB H 2.185 0.007 . 634 516 71 VAL HG1 H 1.137 0.006 . 635 516 71 VAL HG2 H 1.114 0.004 . 636 516 71 VAL CA C 66.149 0.043 . 637 516 71 VAL CB C 31.999 0.023 . 638 516 71 VAL CG1 C 21.927 0.028 . 639 516 71 VAL CG2 C 21.325 0.010 . 640 516 71 VAL N N 125.961 0.050 . 641 517 72 CYS H H 8.176 0.002 . 642 517 72 CYS HA H 4.239 0.003 . 643 517 72 CYS HB2 H 3.106 0.006 . 644 517 72 CYS HB3 H 3.106 0.006 . 645 517 72 CYS CA C 62.610 0.011 . 646 517 72 CYS CB C 26.741 0.031 . 647 517 72 CYS N N 119.081 0.028 . 648 518 73 ALA H H 7.558 0.002 . 649 518 73 ALA HA H 4.433 0.011 . 650 518 73 ALA HB H 1.753 0.007 . 651 518 73 ALA CA C 55.446 0.048 . 652 518 73 ALA CB C 19.367 0.029 . 653 518 73 ALA N N 122.722 0.023 . 654 519 74 VAL H H 7.657 0.003 . 655 519 74 VAL HA H 3.337 0.005 . 656 519 74 VAL HB H 2.170 0.007 . 657 519 74 VAL HG1 H 0.720 0.006 . 658 519 74 VAL HG2 H 0.638 0.005 . 659 519 74 VAL CA C 67.660 0.088 . 660 519 74 VAL CB C 31.982 0.014 . 661 519 74 VAL CG1 C 22.092 0.004 . 662 519 74 VAL CG2 C 23.035 0.014 . 663 519 74 VAL N N 117.302 0.027 . 664 520 75 MET H H 8.198 0.002 . 665 520 75 MET HA H 4.206 0.006 . 666 520 75 MET HB2 H 2.898 0.005 . 667 520 75 MET HB3 H 2.632 0.005 . 668 520 75 MET HG2 H 2.357 0.006 . 669 520 75 MET HG3 H 2.357 0.006 . 670 520 75 MET CA C 59.554 0.025 . 671 520 75 MET CB C 32.623 0.019 . 672 520 75 MET CG C 32.670 0.000 . 673 520 75 MET N N 116.604 0.019 . 674 521 76 ARG H H 8.158 0.003 . 675 521 76 ARG HA H 4.329 0.004 . 676 521 76 ARG HB2 H 2.345 0.004 . 677 521 76 ARG HB3 H 2.083 0.006 . 678 521 76 ARG HG2 H 2.051 0.005 . 679 521 76 ARG HG3 H 1.927 0.006 . 680 521 76 ARG HD2 H 3.374 0.004 . 681 521 76 ARG HD3 H 3.374 0.004 . 682 521 76 ARG CA C 60.434 0.035 . 683 521 76 ARG CB C 30.718 0.062 . 684 521 76 ARG CG C 29.158 0.010 . 685 521 76 ARG N N 120.202 0.004 . 686 522 77 VAL H H 8.219 0.003 . 687 522 77 VAL HA H 4.017 0.003 . 688 522 77 VAL HB H 2.436 0.004 . 689 522 77 VAL HG1 H 1.546 0.010 . 690 522 77 VAL HG2 H 1.211 0.006 . 691 522 77 VAL CA C 68.050 0.087 . 692 522 77 VAL CB C 32.446 0.020 . 693 522 77 VAL CG1 C 24.853 0.036 . 694 522 77 VAL CG2 C 21.650 0.000 . 695 522 77 VAL N N 121.027 0.044 . 696 523 78 HIS H H 8.226 0.002 . 697 523 78 HIS HA H 4.119 0.003 . 698 523 78 HIS HB2 H 3.290 0.012 . 699 523 78 HIS HB3 H 3.203 0.006 . 700 523 78 HIS CA C 62.708 0.013 . 701 523 78 HIS CB C 31.774 0.025 . 702 523 78 HIS N N 119.694 0.106 . 703 524 79 ALA H H 8.362 0.002 . 704 524 79 ALA HA H 4.304 0.008 . 705 524 79 ALA HB H 1.783 0.006 . 706 524 79 ALA CA C 55.595 0.061 . 707 524 79 ALA CB C 18.723 0.052 . 708 524 79 ALA N N 118.656 0.061 . 709 525 80 PHE H H 7.987 0.003 . 710 525 80 PHE HA H 4.549 0.002 . 711 525 80 PHE HB2 H 3.582 0.002 . 712 525 80 PHE HB3 H 3.582 0.002 . 713 525 80 PHE HD1 H 7.496 0.002 . 714 525 80 PHE CA C 61.922 0.038 . 715 525 80 PHE CB C 40.000 0.016 . 716 525 80 PHE N N 120.648 0.042 . 717 526 81 LEU H H 8.470 0.002 . 718 526 81 LEU HA H 3.995 0.007 . 719 526 81 LEU HB2 H 2.007 0.007 . 720 526 81 LEU HB3 H 1.165 0.004 . 721 526 81 LEU HG H 2.476 0.005 . 722 526 81 LEU HD1 H 1.109 0.007 . 723 526 81 LEU HD2 H 0.997 0.007 . 724 526 81 LEU CA C 57.924 0.042 . 725 526 81 LEU CB C 42.259 0.024 . 726 526 81 LEU CG C 26.753 0.021 . 727 526 81 LEU CD1 C 28.570 0.001 . 728 526 81 LEU CD2 C 23.048 0.007 . 729 526 81 LEU N N 118.270 0.037 . 730 527 82 GLU H H 8.589 0.002 . 731 527 82 GLU HA H 4.074 0.007 . 732 527 82 GLU HB2 H 2.052 0.003 . 733 527 82 GLU HB3 H 1.893 0.005 . 734 527 82 GLU HG2 H 2.194 0.003 . 735 527 82 GLU HG3 H 2.194 0.003 . 736 527 82 GLU CA C 60.427 0.024 . 737 527 82 GLU CB C 30.102 0.017 . 738 527 82 GLU N N 119.962 0.058 . 739 528 83 GLN H H 8.281 0.002 . 740 528 83 GLN HA H 4.052 0.005 . 741 528 83 GLN HB2 H 2.291 0.004 . 742 528 83 GLN HB3 H 2.228 0.006 . 743 528 83 GLN HG2 H 2.155 0.004 . 744 528 83 GLN HG3 H 1.980 0.004 . 745 528 83 GLN CA C 59.209 0.050 . 746 528 83 GLN CB C 28.171 0.021 . 747 528 83 GLN CG C 33.530 0.000 . 748 528 83 GLN N N 122.410 0.016 . 749 529 84 TRP H H 7.316 0.004 . 750 529 84 TRP HA H 4.472 0.006 . 751 529 84 TRP HB2 H 3.623 0.010 . 752 529 84 TRP HB3 H 2.607 0.004 . 753 529 84 TRP HD1 H 7.672 0.002 . 754 529 84 TRP CA C 58.290 0.028 . 755 529 84 TRP CB C 29.986 0.028 . 756 529 84 TRP N N 117.565 0.040 . 757 530 85 GLY H H 7.520 0.004 . 758 530 85 GLY HA2 H 3.981 0.003 . 759 530 85 GLY HA3 H 3.732 0.006 . 760 530 85 GLY CA C 46.350 0.048 . 761 530 85 GLY N N 104.401 0.031 . 762 531 86 LEU H H 8.103 0.005 . 763 531 86 LEU HA H 3.956 0.007 . 764 531 86 LEU HB2 H 1.493 0.007 . 765 531 86 LEU HB3 H 0.986 0.006 . 766 531 86 LEU HG H 1.181 0.005 . 767 531 86 LEU HD1 H 0.235 0.007 . 768 531 86 LEU HD2 H 0.063 0.006 . 769 531 86 LEU CA C 55.710 0.045 . 770 531 86 LEU CB C 43.697 0.092 . 771 531 86 LEU CG C 27.198 0.007 . 772 531 86 LEU CD1 C 25.399 0.003 . 773 531 86 LEU CD2 C 22.350 0.001 . 774 531 86 LEU N N 118.811 0.031 . 775 532 87 VAL H H 6.552 0.004 . 776 532 87 VAL HA H 3.679 0.006 . 777 532 87 VAL HB H 1.223 0.007 . 778 532 87 VAL HG1 H 0.667 0.009 . 779 532 87 VAL HG2 H 0.245 0.006 . 780 532 87 VAL CA C 60.465 0.014 . 781 532 87 VAL CB C 35.140 0.030 . 782 532 87 VAL CG1 C 23.080 0.001 . 783 532 87 VAL CG2 C 18.550 0.000 . 784 532 87 VAL N N 105.311 0.023 . 785 534 89 TYR HA H 4.438 0.004 . 786 534 89 TYR HB2 H 3.315 0.004 . 787 534 89 TYR HB3 H 2.900 0.006 . 788 534 89 TYR HD1 H 7.050 0.005 . 789 534 89 TYR CA C 60.540 0.022 . 790 534 89 TYR CB C 40.252 0.011 . 791 535 90 GLN H H 7.885 0.003 . 792 535 90 GLN HA H 4.388 0.004 . 793 535 90 GLN HB2 H 2.306 0.005 . 794 535 90 GLN HB3 H 2.078 0.005 . 795 535 90 GLN HG2 H 2.405 0.006 . 796 535 90 GLN HG3 H 2.328 0.003 . 797 535 90 GLN CA C 55.340 0.111 . 798 535 90 GLN CB C 29.830 0.011 . 799 535 90 GLN CG C 36.030 0.000 . 800 535 90 GLN N N 114.489 0.031 . 801 536 91 VAL H H 6.776 0.002 . 802 536 91 VAL HA H 3.970 0.004 . 803 536 91 VAL HB H 2.004 0.013 . 804 536 91 VAL HG1 H 1.026 0.006 . 805 536 91 VAL CA C 62.382 0.012 . 806 536 91 VAL CB C 32.856 0.062 . 807 536 91 VAL CG1 C 22.035 0.013 . 808 536 91 VAL N N 118.352 0.054 . 809 537 92 ASP H H 8.690 0.003 . 810 537 92 ASP HA H 4.844 0.006 . 811 537 92 ASP HB2 H 2.851 0.003 . 812 537 92 ASP HB3 H 2.699 0.003 . 813 537 92 ASP CA C 52.929 0.040 . 814 537 92 ASP CB C 41.424 0.028 . 815 537 92 ASP N N 127.998 0.026 . 816 538 93 PRO HA H 4.167 0.005 . 817 538 93 PRO HB2 H 2.314 0.005 . 818 538 93 PRO HB3 H 1.999 0.004 . 819 538 93 PRO HG2 H 2.121 0.005 . 820 538 93 PRO HG3 H 2.032 0.003 . 821 538 93 PRO HD2 H 3.945 0.005 . 822 538 93 PRO HD3 H 3.884 0.006 . 823 538 93 PRO CA C 65.036 0.080 . 824 538 93 PRO CB C 32.342 0.010 . 825 538 93 PRO CG C 27.654 0.029 . 826 538 93 PRO CD C 51.051 0.003 . 827 539 94 GLU H H 8.505 0.002 . 828 539 94 GLU HA H 4.273 0.004 . 829 539 94 GLU HB2 H 2.169 0.006 . 830 539 94 GLU HB3 H 2.040 0.005 . 831 539 94 GLU HG2 H 2.377 0.007 . 832 539 94 GLU HG3 H 2.325 0.004 . 833 539 94 GLU CA C 57.644 0.012 . 834 539 94 GLU CB C 29.600 0.009 . 835 539 94 GLU N N 116.805 0.018 . 836 540 95 SER H H 8.007 0.002 . 837 540 95 SER HA H 4.547 0.004 . 838 540 95 SER HB2 H 4.070 0.004 . 839 540 95 SER HB3 H 3.988 0.005 . 840 540 95 SER CA C 58.648 0.044 . 841 540 95 SER CB C 64.201 0.015 . 842 540 95 SER N N 115.236 0.041 . 843 541 96 ARG H H 7.539 0.004 . 844 541 96 ARG HA H 4.400 0.005 . 845 541 96 ARG HB2 H 1.793 0.004 . 846 541 96 ARG HB3 H 1.717 0.004 . 847 541 96 ARG HG2 H 1.687 0.006 . 848 541 96 ARG HG3 H 1.554 0.006 . 849 541 96 ARG HD2 H 3.212 0.005 . 850 541 96 ARG HD3 H 3.212 0.005 . 851 541 96 ARG CA C 54.202 0.014 . 852 541 96 ARG CB C 30.428 0.016 . 853 541 96 ARG CG C 27.623 0.004 . 854 541 96 ARG CD C 43.623 0.002 . 855 541 96 ARG N N 122.726 0.029 . 856 542 97 PRO HA H 4.431 0.005 . 857 542 97 PRO HB2 H 2.264 0.003 . 858 542 97 PRO HB3 H 1.963 0.004 . 859 542 97 PRO HG2 H 1.945 0.006 . 860 542 97 PRO HG3 H 1.945 0.006 . 861 542 97 PRO HD2 H 3.471 0.007 . 862 542 97 PRO HD3 H 3.223 0.004 . 863 542 97 PRO CA C 63.563 0.021 . 864 542 97 PRO CB C 31.970 0.008 . 865 542 97 PRO CG C 27.621 0.001 . 866 542 97 PRO CD C 50.441 0.001 . 867 543 98 MET H H 7.891 0.002 . 868 543 98 MET HA H 4.309 0.004 . 869 543 98 MET HB2 H 2.134 0.007 . 870 543 98 MET HB3 H 1.994 0.005 . 871 543 98 MET HG2 H 2.627 0.002 . 872 543 98 MET HG3 H 2.574 0.003 . 873 543 98 MET CA C 57.310 0.046 . 874 543 98 MET CB C 34.335 0.033 . 875 543 98 MET CG C 32.538 0.000 . 876 543 98 MET N N 126.120 0.022 . stop_ save_