data_25147 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Struture of -24 DNA binding domain of sigma 54 from E. coli ; _BMRB_accession_number 25147 _BMRB_flat_file_name bmr25147.str _Entry_type original _Submission_date 2014-08-12 _Accession_date 2014-08-12 _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 Wemmer David . . 2 Gao Zhijuan . . 3 Pelton Jeffrey . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 408 "13C chemical shifts" 281 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-24 original BMRB . stop_ _Original_release_date 2015-08-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Struture of -24 DNA binding domain of sigma 54 from E. coli ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gao Zhijuan . . 2 Pelton Jeffrey . . 3 Wemmer David . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA binding domain of sigma 54 from E.coli' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 9160.573 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; EASSTAIRALVKKLIAAENP AKPLSDSKLTSLLSEQGIMV ARRTVAKYRESLSIPPSNQR KQLVANSSSVDKLAAALEHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 414 GLU 2 415 ALA 3 416 SER 4 417 SER 5 418 THR 6 419 ALA 7 420 ILE 8 421 ARG 9 422 ALA 10 423 LEU 11 424 VAL 12 425 LYS 13 426 LYS 14 427 LEU 15 428 ILE 16 429 ALA 17 430 ALA 18 431 GLU 19 432 ASN 20 433 PRO 21 434 ALA 22 435 LYS 23 436 PRO 24 437 LEU 25 438 SER 26 439 ASP 27 440 SER 28 441 LYS 29 442 LEU 30 443 THR 31 444 SER 32 445 LEU 33 446 LEU 34 447 SER 35 448 GLU 36 449 GLN 37 450 GLY 38 451 ILE 39 452 MET 40 453 VAL 41 454 ALA 42 455 ARG 43 456 ARG 44 457 THR 45 458 VAL 46 459 ALA 47 460 LYS 48 461 TYR 49 462 ARG 50 463 GLU 51 464 SER 52 465 LEU 53 466 SER 54 467 ILE 55 468 PRO 56 469 PRO 57 470 SER 58 471 ASN 59 472 GLN 60 473 ARG 61 474 LYS 62 475 GLN 63 476 LEU 64 477 VAL 65 478 ALA 66 479 ASN 67 480 SER 68 481 SER 69 482 SER 70 483 VAL 71 484 ASP 72 485 LYS 73 486 LEU 74 487 ALA 75 488 ALA 76 489 ALA 77 490 LEU 78 491 GLU 79 492 HIS 80 493 HIS 81 494 HIS 82 495 HIS 83 496 HIS 84 497 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MT3 "Struture Of -24 Dna Binding Domain Of Sigma 54 From E.coli" 100.00 84 100.00 100.00 3.27e-50 DBJ BAA02315 "rpoN [Escherichia coli K-12]" 76.19 477 100.00 100.00 3.05e-32 DBJ BAB37504 "RNA polymerase sigma(54 or 60) factor RpoN [Escherichia coli O157:H7 str. Sakai]" 76.19 477 100.00 100.00 2.71e-32 DBJ BAE73474 "RNA polymerase sigma-54 factor RpoN [Sodalis glossinidius str. 'morsitans']" 76.19 477 98.44 98.44 8.42e-32 DBJ BAE77246 "RNA polymerase, sigma 54 (sigma N) factor [Escherichia coli str. K12 substr. W3110]" 76.19 477 100.00 100.00 2.85e-32 DBJ BAG79010 "RNA polymerase sigma-54 factor [Escherichia coli SE11]" 76.19 477 100.00 100.00 2.48e-32 EMBL CAA81617 "sigma factor [Escherichia coli K-12]" 76.19 477 100.00 100.00 2.85e-32 EMBL CAD07837 "RNA polymerase sigma-54 factor (sigma-N) [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 76.19 477 100.00 100.00 2.96e-32 EMBL CAP77662 "RNA polymerase sigma-54 factor [Escherichia coli LF82]" 76.19 477 100.00 100.00 2.71e-32 EMBL CAQ33535 "RNA polymerase, sigma 54 (sigma N) factor, subunit of RNA polymerase sigma 54 [Escherichia coli BL21(DE3)]" 76.19 477 100.00 100.00 2.71e-32 EMBL CAR00164 "RNA polymerase, sigma 54 (sigma N) factor [Escherichia coli IAI1]" 76.19 477 100.00 100.00 2.74e-32 GB AAA27224 "sigma factor 54 [Salmonella enterica subsp. enterica serovar Typhimurium]" 76.19 477 100.00 100.00 2.99e-32 GB AAA58004 "sigma-N (sigma-54) [Escherichia coli str. K-12 substr. MG1655]" 76.19 477 100.00 100.00 2.85e-32 GB AAA62790 "sigma-54 [Escherichia coli]" 76.19 477 100.00 100.00 3.05e-32 GB AAB60163 "sigma-N (sigma-54) [Escherichia coli str. K12 substr. W3110]" 76.19 477 100.00 100.00 2.85e-32 GB AAC76234 "RNA polymerase, sigma 54 (sigma N) factor [Escherichia coli str. K-12 substr. MG1655]" 76.19 477 100.00 100.00 2.85e-32 PIR AG0905 "RNA polymerase sigma-54 factor (sigma-N) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 76.19 477 100.00 100.00 2.96e-32 REF NP_312108 "RNA polymerase factor sigma-54 [Escherichia coli O157:H7 str. Sakai]" 76.19 477 100.00 100.00 2.71e-32 REF NP_417669 "RNA polymerase, sigma 54 (sigma N) factor [Escherichia coli str. K-12 substr. MG1655]" 76.19 477 100.00 100.00 2.85e-32 REF NP_457699 "RNA polymerase sigma-54 factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 76.19 477 100.00 100.00 2.96e-32 REF NP_462230 "RNA polymerase factor sigma-54 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 76.19 477 100.00 100.00 2.99e-32 REF NP_709001 "RNA polymerase factor sigma-54 [Shigella flexneri 2a str. 301]" 76.19 477 100.00 100.00 2.79e-32 SP P24255 "RecName: Full=RNA polymerase sigma-54 factor" 76.19 477 100.00 100.00 2.85e-32 SP P26979 "RecName: Full=RNA polymerase sigma-54 factor" 76.19 477 100.00 100.00 2.99e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli 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 $entity 'recombinant technology' . Escherichia coli . pET29a 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 $entity . mM . 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCACO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.2 . M pH 6.0 . 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 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 CBCA(CO)NH' '3D C(CO)NH' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' '3D HCCH-COSY' '3D HCACO' '3D HNCO' 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 entity _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 1 415 2 ALA H H 8.534 0.020 1 2 415 2 ALA HA H 4.280 0.020 1 3 415 2 ALA HB H 1.208 0.020 1 4 415 2 ALA C C 176.888 0.300 1 5 415 2 ALA CA C 52.211 0.300 1 6 415 2 ALA CB C 19.095 0.300 1 7 415 2 ALA N N 126.479 0.300 1 8 416 3 SER H H 8.196 0.020 1 9 416 3 SER HA H 4.449 0.020 1 10 416 3 SER HB2 H 4.120 0.020 2 11 416 3 SER HB3 H 3.898 0.020 2 12 416 3 SER C C 174.791 0.300 1 13 416 3 SER CA C 57.839 0.300 1 14 416 3 SER CB C 64.723 0.300 1 15 416 3 SER N N 115.855 0.300 1 16 417 4 SER H H 8.733 0.020 1 17 417 4 SER HA H 4.245 0.020 1 18 417 4 SER HB2 H 4.030 0.020 2 19 417 4 SER HB3 H 4.030 0.020 2 20 417 4 SER CA C 60.659 0.300 1 21 417 4 SER CB C 63.153 0.300 1 22 417 4 SER N N 117.712 0.300 1 23 418 5 THR H H 7.985 0.020 1 24 418 5 THR HA H 3.832 0.020 1 25 418 5 THR HB H 4.066 0.020 1 26 418 5 THR HG2 H 1.190 0.020 1 27 418 5 THR CA C 65.956 0.300 1 28 418 5 THR CB C 68.476 0.300 1 29 418 5 THR CG2 C 21.519 0.300 1 30 418 5 THR N N 117.253 0.300 1 31 419 6 ALA H H 7.799 0.020 1 32 419 6 ALA HA H 4.100 0.020 1 33 419 6 ALA HB H 1.353 0.020 1 34 419 6 ALA C C 180.414 0.300 1 35 419 6 ALA CA C 55.026 0.300 1 36 419 6 ALA CB C 18.460 0.300 1 37 419 6 ALA N N 125.391 0.300 1 38 420 7 ILE H H 8.065 0.020 1 39 420 7 ILE HA H 3.353 0.020 1 40 420 7 ILE HB H 1.392 0.020 1 41 420 7 ILE HG12 H 1.690 0.020 2 42 420 7 ILE HG13 H 0.670 0.020 2 43 420 7 ILE HG2 H 0.390 0.020 1 44 420 7 ILE HD1 H 0.686 0.020 1 45 420 7 ILE C C 177.112 0.300 1 46 420 7 ILE CA C 65.961 0.300 1 47 420 7 ILE CB C 37.564 0.300 1 48 420 7 ILE CG1 C 28.779 0.300 1 49 420 7 ILE CG2 C 17.711 0.300 1 50 420 7 ILE CD1 C 12.832 0.300 1 51 420 7 ILE N N 119.148 0.300 1 52 422 9 ALA H H 7.518 0.020 1 53 422 9 ALA HA H 4.010 0.020 1 54 422 9 ALA HB H 1.400 0.020 1 55 422 9 ALA C C 180.414 0.300 1 56 422 9 ALA CA C 55.039 0.300 1 57 422 9 ALA CB C 18.152 0.300 1 58 422 9 ALA N N 117.860 0.300 1 59 423 10 LEU H H 7.638 0.020 1 60 423 10 LEU HA H 4.090 0.020 1 61 423 10 LEU HB2 H 1.690 0.020 2 62 423 10 LEU HB3 H 1.497 0.020 2 63 423 10 LEU HG H 1.580 0.020 1 64 423 10 LEU HD1 H 0.720 0.020 1 65 423 10 LEU HD2 H 0.753 0.020 1 66 423 10 LEU C C 178.272 0.300 1 67 423 10 LEU CA C 57.842 0.300 1 68 423 10 LEU CB C 42.225 0.300 1 69 423 10 LEU CG C 27.400 0.300 1 70 423 10 LEU CD1 C 24.900 0.300 1 71 423 10 LEU CD2 C 24.600 0.300 1 72 423 10 LEU N N 120.710 0.300 1 73 424 11 VAL H H 8.308 0.020 1 74 424 11 VAL HA H 3.310 0.020 1 75 424 11 VAL HB H 2.080 0.020 1 76 424 11 VAL HG1 H 0.920 0.020 1 77 424 11 VAL HG2 H 0.734 0.020 1 78 424 11 VAL C C 176.665 0.300 1 79 424 11 VAL CA C 68.149 0.300 1 80 424 11 VAL CB C 31.571 0.300 1 81 424 11 VAL CG1 C 23.424 0.300 1 82 424 11 VAL CG2 C 20.805 0.300 1 83 424 11 VAL N N 119.444 0.300 1 84 425 12 LYS H H 7.774 0.020 1 85 425 12 LYS HA H 3.600 0.020 1 86 425 12 LYS HB2 H 1.911 0.020 2 87 425 12 LYS HB3 H 1.840 0.020 2 88 425 12 LYS HG2 H 1.343 0.020 2 89 425 12 LYS HG3 H 1.343 0.020 2 90 425 12 LYS HD2 H 1.623 0.020 2 91 425 12 LYS HD3 H 1.623 0.020 2 92 425 12 LYS HE3 H 2.917 0.020 2 93 425 12 LYS CA C 60.356 0.300 1 94 425 12 LYS CB C 32.834 0.300 1 95 425 12 LYS CG C 24.614 0.300 1 96 425 12 LYS CD C 29.017 0.300 1 97 425 12 LYS CE C 41.988 0.300 1 98 425 12 LYS N N 117.138 0.300 1 99 426 13 LYS H H 7.780 0.020 1 100 426 13 LYS HA H 3.940 0.020 1 101 426 13 LYS HB2 H 1.880 0.020 2 102 426 13 LYS HB3 H 1.880 0.020 2 103 426 13 LYS HG2 H 1.325 0.020 2 104 426 13 LYS HG3 H 1.325 0.020 2 105 426 13 LYS HD2 H 1.586 0.020 2 106 426 13 LYS HD3 H 1.586 0.020 2 107 426 13 LYS HE2 H 2.852 0.020 2 108 426 13 LYS HE3 H 2.852 0.020 2 109 426 13 LYS C C 179.209 0.300 1 110 426 13 LYS CA C 59.404 0.300 1 111 426 13 LYS CB C 33.143 0.300 1 112 426 13 LYS CG C 24.614 0.300 1 113 426 13 LYS CD C 29.374 0.300 1 114 426 13 LYS CE C 41.631 0.300 1 115 426 13 LYS N N 118.718 0.300 1 116 427 14 LEU H H 8.517 0.020 1 117 427 14 LEU HA H 3.930 0.020 1 118 427 14 LEU HB2 H 1.770 0.020 2 119 427 14 LEU HB3 H 1.040 0.020 2 120 427 14 LEU HG H 1.820 0.020 1 121 427 14 LEU HD1 H 0.784 0.020 1 122 427 14 LEU HD2 H 0.631 0.020 1 123 427 14 LEU C C 179.700 0.300 1 124 427 14 LEU CA C 57.994 0.300 1 125 427 14 LEU CB C 41.907 0.300 1 126 427 14 LEU CG C 27.100 0.300 1 127 427 14 LEU CD1 C 22.700 0.300 1 128 427 14 LEU CD2 C 26.400 0.300 1 129 427 14 LEU N N 120.081 0.300 1 130 428 15 ILE H H 7.848 0.020 1 131 428 15 ILE HA H 3.598 0.020 1 132 428 15 ILE HB H 1.656 0.020 1 133 428 15 ILE HG12 H 0.910 0.020 2 134 428 15 ILE HG13 H 1.860 0.020 2 135 428 15 ILE HG2 H 0.775 0.020 1 136 428 15 ILE HD1 H 0.660 0.020 1 137 428 15 ILE C C 178.540 0.300 1 138 428 15 ILE CA C 65.640 0.300 1 139 428 15 ILE CB C 37.853 0.300 1 140 428 15 ILE CG1 C 29.850 0.300 1 141 428 15 ILE CG2 C 16.283 0.300 1 142 428 15 ILE CD1 C 13.903 0.300 1 143 428 15 ILE N N 118.014 0.300 1 144 429 16 ALA H H 8.138 0.020 1 145 429 16 ALA HA H 4.065 0.020 1 146 429 16 ALA HB H 1.441 0.020 1 147 429 16 ALA CA C 54.722 0.300 1 148 429 16 ALA CB C 18.166 0.300 1 149 429 16 ALA N N 120.797 0.300 1 150 430 17 ALA H H 7.017 0.020 1 151 430 17 ALA HA H 4.412 0.020 1 152 430 17 ALA HB H 1.400 0.020 1 153 430 17 ALA C C 177.335 0.300 1 154 430 17 ALA CA C 51.588 0.300 1 155 430 17 ALA CB C 19.709 0.300 1 156 430 17 ALA N N 117.269 0.300 1 157 431 18 GLU H H 7.406 0.020 1 158 431 18 GLU HA H 4.200 0.020 1 159 431 18 GLU HB2 H 2.130 0.020 2 160 431 18 GLU HB3 H 2.130 0.020 2 161 431 18 GLU HG2 H 2.588 0.020 2 162 431 18 GLU HG3 H 2.588 0.020 2 163 431 18 GLU C C 174.791 0.300 1 164 431 18 GLU CA C 55.648 0.300 1 165 431 18 GLU CB C 29.409 0.300 1 166 431 18 GLU CG C 33.182 0.300 1 167 431 18 GLU N N 120.710 0.300 1 168 432 19 ASN H H 8.847 0.020 1 169 432 19 ASN HA H 4.795 0.020 1 170 432 19 ASN HB2 H 2.922 0.020 2 171 432 19 ASN HB3 H 2.800 0.020 2 172 432 19 ASN HD21 H 7.752 0.020 2 173 432 19 ASN HD22 H 7.084 0.020 2 174 432 19 ASN C C 175.460 0.300 1 175 432 19 ASN CA C 50.348 0.300 1 176 432 19 ASN CB C 39.082 0.300 1 177 432 19 ASN N N 121.962 0.300 1 178 433 20 PRO HA H 4.260 0.020 1 179 433 20 PRO HB2 H 1.875 0.020 2 180 433 20 PRO HB3 H 2.350 0.020 2 181 433 20 PRO HG2 H 1.960 0.020 2 182 433 20 PRO HG3 H 1.850 0.020 2 183 433 20 PRO HD2 H 4.120 0.020 2 184 433 20 PRO HD3 H 3.792 0.020 2 185 433 20 PRO CA C 64.873 0.300 1 186 433 20 PRO CB C 31.635 0.300 1 187 433 20 PRO CG C 27.370 0.300 1 188 433 20 PRO CD C 50.795 0.300 1 189 434 21 ALA H H 7.772 0.020 1 190 434 21 ALA HA H 4.320 0.020 1 191 434 21 ALA HB H 1.330 0.020 1 192 434 21 ALA C C 178.093 0.300 1 193 434 21 ALA CA C 52.857 0.300 1 194 434 21 ALA CB C 19.404 0.300 1 195 434 21 ALA N N 116.670 0.300 1 196 435 22 LYS H H 7.876 0.020 1 197 435 22 LYS HA H 4.495 0.020 1 198 435 22 LYS HB2 H 1.770 0.020 2 199 435 22 LYS HB3 H 1.443 0.020 2 200 435 22 LYS HG2 H 1.235 0.020 2 201 435 22 LYS HG3 H 1.235 0.020 2 202 435 22 LYS HD2 H 1.615 0.020 2 203 435 22 LYS HD3 H 1.615 0.020 2 204 435 22 LYS HE2 H 2.930 0.020 2 205 435 22 LYS HE3 H 2.930 0.020 2 206 435 22 LYS C C 171.712 0.300 1 207 435 22 LYS CA C 53.766 0.300 1 208 435 22 LYS CB C 33.741 0.300 1 209 435 22 LYS CG C 24.614 0.300 1 210 435 22 LYS CD C 29.017 0.300 1 211 435 22 LYS CE C 42.107 0.300 1 212 435 22 LYS N N 118.105 0.300 1 213 436 23 PRO HA H 3.980 0.020 1 214 436 23 PRO HB2 H 1.487 0.020 2 215 436 23 PRO HB3 H 2.160 0.020 2 216 436 23 PRO HG2 H 1.710 0.020 2 217 436 23 PRO HD2 H 3.340 0.020 2 218 436 23 PRO HD3 H 3.290 0.020 2 219 436 23 PRO C C 176.665 0.300 1 220 436 23 PRO CA C 63.156 0.300 1 221 436 23 PRO CB C 31.754 0.300 1 222 436 23 PRO CG C 27.232 0.300 1 223 436 23 PRO CD C 49.605 0.300 1 224 437 24 LEU H H 8.475 0.020 1 225 437 24 LEU HA H 4.173 0.020 1 226 437 24 LEU HB2 H 1.625 0.020 2 227 437 24 LEU HB3 H 1.059 0.020 2 228 437 24 LEU HG H 1.990 0.020 1 229 437 24 LEU HD1 H 0.820 0.020 1 230 437 24 LEU HD2 H 0.710 0.020 1 231 437 24 LEU CA C 54.732 0.300 1 232 437 24 LEU CB C 43.148 0.300 1 233 437 24 LEU CG C 26.399 0.300 1 234 437 24 LEU CD1 C 22.710 0.300 1 235 437 24 LEU CD2 C 26.900 0.300 1 236 437 24 LEU N N 120.081 0.300 1 237 438 25 SER H H 8.737 0.020 1 238 438 25 SER HA H 4.464 0.020 1 239 438 25 SER HB2 H 4.080 0.020 2 240 438 25 SER C C 174.077 0.300 1 241 438 25 SER CA C 57.232 0.300 1 242 438 25 SER CB C 64.735 0.300 1 243 438 25 SER N N 122.890 0.300 1 244 439 26 ASP H H 9.080 0.020 1 245 439 26 ASP HA H 4.519 0.020 1 246 439 26 ASP HB2 H 2.620 0.020 2 247 439 26 ASP HB3 H 2.453 0.020 2 248 439 26 ASP C C 179.923 0.300 1 249 439 26 ASP CA C 58.233 0.300 1 250 439 26 ASP CB C 38.783 0.300 1 251 439 26 ASP N N 122.516 0.300 1 252 441 28 LYS H H 8.190 0.020 1 253 441 28 LYS HA H 4.193 0.020 1 254 441 28 LYS HB2 H 1.980 0.020 2 255 441 28 LYS HB3 H 1.910 0.020 2 256 441 28 LYS HG2 H 1.550 0.020 2 257 441 28 LYS HG3 H 1.330 0.020 2 258 441 28 LYS HD2 H 1.800 0.020 2 259 441 28 LYS HD3 H 1.650 0.020 2 260 441 28 LYS HE2 H 2.930 0.020 2 261 441 28 LYS HE3 H 2.800 0.020 2 262 441 28 LYS C C 178.986 0.300 1 263 441 28 LYS CA C 58.472 0.300 1 264 441 28 LYS CB C 31.590 0.300 1 265 441 28 LYS CG C 24.971 0.300 1 266 441 28 LYS CD C 28.303 0.300 1 267 441 28 LYS CE C 42.107 0.300 1 268 441 28 LYS N N 126.646 0.300 1 269 442 29 LEU H H 8.736 0.020 1 270 442 29 LEU HA H 3.932 0.020 1 271 442 29 LEU HB2 H 2.120 0.020 2 272 442 29 LEU HB3 H 1.222 0.020 2 273 442 29 LEU HG H 1.655 0.020 1 274 442 29 LEU C C 178.049 0.300 1 275 442 29 LEU CA C 59.092 0.300 1 276 442 29 LEU CB C 43.453 0.300 1 277 442 29 LEU N N 119.597 0.300 1 278 443 30 THR H H 7.872 0.020 1 279 443 30 THR HA H 3.684 0.020 1 280 443 30 THR HB H 4.362 0.020 1 281 443 30 THR HG2 H 1.230 0.020 1 282 443 30 THR CA C 68.464 0.300 1 283 443 30 THR CB C 67.736 0.300 1 284 443 30 THR CG2 C 21.281 0.300 1 285 443 30 THR N N 114.306 0.300 1 286 444 31 SER H H 7.807 0.020 1 287 444 31 SER HA H 4.304 0.020 1 288 444 31 SER HB2 H 4.021 0.020 2 289 444 31 SER HB3 H 4.021 0.020 2 290 444 31 SER CA C 61.908 0.300 1 291 444 31 SER CB C 63.000 0.300 1 292 444 31 SER N N 119.011 0.300 1 293 445 32 LEU H H 8.691 0.020 1 294 445 32 LEU HA H 4.065 0.020 1 295 445 32 LEU HB2 H 1.931 0.020 2 296 445 32 LEU HB3 H 1.350 0.020 2 297 445 32 LEU HG H 1.770 0.020 1 298 445 32 LEU HD1 H 0.848 0.020 2 299 445 32 LEU HD2 H 0.848 0.020 2 300 445 32 LEU C C 180.637 0.300 1 301 445 32 LEU CA C 58.472 0.300 1 302 445 32 LEU CB C 42.223 0.300 1 303 445 32 LEU CG C 26.946 0.300 1 304 445 32 LEU CD2 C 23.000 0.300 2 305 445 32 LEU N N 124.290 0.300 1 306 446 33 LEU H H 8.316 0.020 1 307 446 33 LEU HA H 3.880 0.020 1 308 446 33 LEU HB2 H 1.810 0.020 2 309 446 33 LEU HB3 H 1.520 0.020 2 310 446 33 LEU HG H 1.673 0.020 1 311 446 33 LEU HD1 H 0.610 0.020 1 312 446 33 LEU HD2 H 0.580 0.020 1 313 446 33 LEU C C 179.477 0.300 1 314 446 33 LEU CA C 59.087 0.300 1 315 446 33 LEU CB C 40.027 0.300 1 316 446 33 LEU CG C 25.508 0.300 1 317 446 33 LEU CD1 C 24.005 0.300 1 318 446 33 LEU CD2 C 25.809 0.300 1 319 446 33 LEU N N 120.394 0.300 1 320 447 34 SER H H 7.940 0.020 1 321 447 34 SER HA H 4.150 0.020 1 322 447 34 SER HB2 H 4.050 0.020 2 323 447 34 SER HB3 H 4.050 0.020 2 324 447 34 SER CA C 61.907 0.300 1 325 447 34 SER CB C 62.534 0.300 1 326 447 34 SER N N 117.100 0.300 1 327 448 35 GLU H H 7.826 0.020 1 328 448 35 GLU HA H 4.100 0.020 1 329 448 35 GLU HB2 H 2.180 0.020 2 330 448 35 GLU HB3 H 2.124 0.020 2 331 448 35 GLU HG2 H 2.520 0.020 2 332 448 35 GLU HG3 H 2.277 0.020 2 333 448 35 GLU C C 177.602 0.300 1 334 448 35 GLU CA C 59.096 0.300 1 335 448 35 GLU CB C 29.679 0.300 1 336 448 35 GLU CG C 36.256 0.300 1 337 448 35 GLU N N 122.587 0.300 1 338 449 36 GLN H H 7.407 0.020 1 339 449 36 GLN HA H 4.451 0.020 1 340 449 36 GLN HB2 H 2.370 0.020 2 341 449 36 GLN HB3 H 1.970 0.020 2 342 449 36 GLN HG2 H 2.420 0.020 2 343 449 36 GLN HG3 H 2.345 0.020 2 344 449 36 GLN HE21 H 6.416 0.020 2 345 449 36 GLN HE22 H 7.500 0.020 2 346 449 36 GLN C C 175.460 0.300 1 347 449 36 GLN CA C 55.032 0.300 1 348 449 36 GLN CB C 28.962 0.300 1 349 449 36 GLN CG C 33.272 0.300 1 350 449 36 GLN N N 115.407 0.300 1 351 450 37 GLY H H 7.827 0.020 1 352 450 37 GLY HA2 H 3.660 0.020 2 353 450 37 GLY HA3 H 4.130 0.020 2 354 450 37 GLY C C 173.586 0.300 1 355 450 37 GLY CA C 45.657 0.300 1 356 450 37 GLY N N 106.806 0.300 1 357 451 38 ILE H H 7.752 0.020 1 358 451 38 ILE HA H 4.050 0.020 1 359 451 38 ILE HB H 1.553 0.020 1 360 451 38 ILE HG12 H 1.250 0.020 2 361 451 38 ILE HG13 H 0.810 0.020 2 362 451 38 ILE HG2 H 0.680 0.020 1 363 451 38 ILE HD1 H 0.630 0.020 1 364 451 38 ILE CA C 60.353 0.300 1 365 451 38 ILE CB C 38.475 0.300 1 366 451 38 ILE CG1 C 26.468 0.300 1 367 451 38 ILE CG2 C 17.158 0.300 1 368 451 38 ILE CD1 C 13.338 0.300 1 369 451 38 ILE N N 122.265 0.300 1 370 452 39 MET H H 8.550 0.020 1 371 452 39 MET HA H 4.499 0.020 1 372 452 39 MET N N 127.584 0.300 1 373 453 40 VAL H H 8.273 0.020 1 374 453 40 VAL HA H 4.520 0.020 1 375 453 40 VAL HB H 2.010 0.020 1 376 453 40 VAL HG1 H 0.784 0.020 1 377 453 40 VAL HG2 H 0.870 0.020 1 378 453 40 VAL C C 173.363 0.300 1 379 453 40 VAL CA C 59.408 0.300 1 380 453 40 VAL CB C 35.662 0.300 1 381 453 40 VAL CG1 C 20.329 0.300 1 382 453 40 VAL CG2 C 22.114 0.300 1 383 453 40 VAL N N 121.175 0.300 1 384 454 41 ALA H H 8.095 0.020 1 385 454 41 ALA HA H 4.450 0.020 1 386 454 41 ALA HB H 1.505 0.020 1 387 454 41 ALA C C 178.763 0.300 1 388 454 41 ALA CA C 51.289 0.300 1 389 454 41 ALA CB C 20.024 0.300 1 390 454 41 ALA N N 123.836 0.300 1 391 455 42 ARG H H 8.908 0.020 1 392 455 42 ARG HA H 4.100 0.020 1 393 455 42 ARG HB2 H 1.930 0.020 2 394 455 42 ARG HB3 H 1.805 0.020 2 395 455 42 ARG HG2 H 1.450 0.020 2 396 455 42 ARG HG3 H 1.380 0.020 2 397 455 42 ARG HD2 H 3.180 0.020 2 398 455 42 ARG HD3 H 3.140 0.020 2 399 455 42 ARG CA C 60.025 0.300 1 400 455 42 ARG CB C 29.712 0.300 1 401 455 42 ARG CG C 26.349 0.300 9 402 455 42 ARG CD C 43.179 0.300 1 403 455 42 ARG N N 124.309 0.300 1 404 456 43 ARG H H 8.606 0.020 1 405 456 43 ARG HA H 4.090 0.020 1 406 456 43 ARG HB2 H 1.800 0.020 2 407 456 43 ARG HG2 H 1.570 0.020 2 408 456 43 ARG HD2 H 3.154 0.020 2 409 456 43 ARG C C 178.049 0.300 1 410 456 43 ARG CA C 58.773 0.300 1 411 456 43 ARG CB C 29.410 0.300 1 412 456 43 ARG CG C 26.399 0.300 1 413 456 43 ARG CD C 43.060 0.300 1 414 456 43 ARG N N 115.733 0.300 1 415 457 44 THR H H 7.268 0.020 1 416 457 44 THR HA H 3.810 0.020 1 417 457 44 THR HB H 4.365 0.020 1 418 457 44 THR HG2 H 1.080 0.020 1 419 457 44 THR CA C 65.672 0.300 1 420 457 44 THR CB C 68.433 0.300 1 421 457 44 THR CG2 C 22.900 0.300 1 422 457 44 THR N N 118.198 0.300 1 423 458 45 VAL H H 7.755 0.020 1 424 458 45 VAL HA H 3.380 0.020 1 425 458 45 VAL HB H 2.210 0.020 1 426 458 45 VAL HG1 H 0.870 0.020 1 427 458 45 VAL HG2 H 0.850 0.020 1 428 458 45 VAL C C 177.335 0.300 1 429 458 45 VAL CA C 68.463 0.300 1 430 458 45 VAL CB C 30.993 0.300 1 431 458 45 VAL CG1 C 25.500 0.300 1 432 458 45 VAL CG2 C 22.100 0.300 1 433 458 45 VAL N N 123.230 0.300 1 434 459 46 ALA H H 8.138 0.020 1 435 459 46 ALA HA H 3.900 0.020 1 436 459 46 ALA HB H 1.389 0.020 1 437 459 46 ALA CA C 55.963 0.300 1 438 459 46 ALA CB C 18.454 0.300 1 439 459 46 ALA N N 121.126 0.300 1 440 460 47 LYS H H 7.395 0.020 1 441 460 47 LYS HA H 4.020 0.020 1 442 460 47 LYS HB2 H 1.760 0.020 2 443 460 47 LYS HB3 H 1.850 0.020 2 444 460 47 LYS HG2 H 1.455 0.020 2 445 460 47 LYS HG3 H 1.290 0.020 2 446 460 47 LYS HE2 H 2.810 0.020 2 447 460 47 LYS HE3 H 2.810 0.020 2 448 460 47 LYS C C 180.637 0.300 1 449 460 47 LYS CA C 59.393 0.300 1 450 460 47 LYS CB C 31.892 0.300 1 451 460 47 LYS CG C 24.400 0.300 9 452 460 47 LYS CD C 29.000 0.300 9 453 460 47 LYS CE C 42.100 0.300 9 454 460 47 LYS N N 117.101 0.300 1 455 461 48 TYR H H 8.377 0.020 1 456 461 48 TYR HA H 4.380 0.020 1 457 461 48 TYR HB2 H 3.133 0.020 2 458 461 48 TYR HB3 H 2.731 0.020 2 459 461 48 TYR HD1 H 6.872 0.020 3 460 461 48 TYR HD2 H 6.872 0.020 3 461 461 48 TYR HE1 H 6.691 0.020 3 462 461 48 TYR HE2 H 6.691 0.020 3 463 461 48 TYR C C 179.477 0.300 1 464 461 48 TYR CA C 61.281 0.300 1 465 461 48 TYR CB C 37.847 0.300 1 466 461 48 TYR CD1 C 131.700 0.300 3 467 461 48 TYR CD2 C 131.700 0.300 3 468 461 48 TYR CE1 C 118.500 0.300 3 469 461 48 TYR CE2 C 118.500 0.300 3 470 461 48 TYR N N 120.077 0.300 1 471 462 49 ARG H H 9.036 0.020 1 472 462 49 ARG HA H 3.775 0.020 1 473 462 49 ARG HB2 H 2.169 0.020 2 474 462 49 ARG HB3 H 1.490 0.020 2 475 462 49 ARG HG2 H 1.820 0.020 2 476 462 49 ARG HG3 H 1.090 0.020 2 477 462 49 ARG HD2 H 2.870 0.020 2 478 462 49 ARG HD3 H 3.070 0.020 2 479 462 49 ARG C C 178.763 0.300 1 480 462 49 ARG CA C 61.578 0.300 1 481 462 49 ARG CB C 28.842 0.300 1 482 462 49 ARG CG C 26.468 0.300 1 483 462 49 ARG CD C 40.792 0.300 1 484 462 49 ARG N N 122.298 0.300 1 485 463 50 GLU H H 8.769 0.020 1 486 463 50 GLU HA H 4.012 0.020 1 487 463 50 GLU HB2 H 2.139 0.020 2 488 463 50 GLU HB3 H 1.997 0.020 2 489 463 50 GLU HG2 H 2.470 0.020 2 490 463 50 GLU HG3 H 2.259 0.020 2 491 463 50 GLU C C 181.351 0.300 1 492 463 50 GLU CA C 59.702 0.300 1 493 463 50 GLU CB C 29.092 0.300 1 494 463 50 GLU CG C 36.137 0.300 1 495 463 50 GLU N N 119.258 0.300 1 496 464 51 SER H H 8.369 0.020 1 497 464 51 SER HA H 4.380 0.020 1 498 464 51 SER HB2 H 4.093 0.020 2 499 464 51 SER HB3 H 4.093 0.020 2 500 464 51 SER CA C 61.459 0.300 1 501 464 51 SER CB C 62.844 0.300 1 502 464 51 SER N N 117.990 0.300 1 503 465 52 LEU H H 7.376 0.020 1 504 465 52 LEU HA H 4.370 0.020 1 505 465 52 LEU HB2 H 1.920 0.020 2 506 465 52 LEU HB3 H 1.645 0.020 2 507 465 52 LEU HG H 1.670 0.020 1 508 465 52 LEU HD1 H 0.855 0.020 9 509 465 52 LEU HD2 H 0.770 0.020 9 510 465 52 LEU CA C 55.030 0.300 1 511 465 52 LEU CB C 43.782 0.300 1 512 465 52 LEU CG C 26.110 0.300 1 513 465 52 LEU CD1 C 23.067 0.300 9 514 465 52 LEU CD2 C 26.100 0.300 9 515 465 52 LEU N N 123.666 0.300 1 516 466 53 SER H H 8.172 0.020 1 517 466 53 SER HA H 3.980 0.020 1 518 466 53 SER HB2 H 4.050 0.020 2 519 466 53 SER CA C 59.069 0.300 1 520 466 53 SER CB C 61.339 0.300 1 521 466 53 SER N N 112.635 0.300 1 522 467 54 ILE H H 7.329 0.020 1 523 467 54 ILE HA H 4.490 0.020 1 524 467 54 ILE HB H 1.510 0.020 1 525 467 54 ILE HG12 H 1.570 0.020 2 526 467 54 ILE HG13 H 0.887 0.020 2 527 467 54 ILE HG2 H 1.032 0.020 1 528 467 54 ILE HD1 H 0.791 0.020 1 529 467 54 ILE C C 174.523 0.300 1 530 467 54 ILE CA C 58.472 0.300 1 531 467 54 ILE CB C 40.000 0.300 1 532 467 54 ILE CG1 C 27.184 0.300 1 533 467 54 ILE CG2 C 17.038 0.300 1 534 467 54 ILE CD1 C 14.412 0.300 1 535 467 54 ILE N N 120.858 0.300 1 536 468 55 PRO HA H 4.620 0.020 1 537 468 55 PRO HB2 H 1.790 0.020 9 538 468 55 PRO HB3 H 2.350 0.020 9 539 468 55 PRO HG2 H 1.870 0.020 9 540 468 55 PRO HG3 H 1.670 0.020 9 541 468 55 PRO HD2 H 3.480 0.020 9 542 468 55 PRO HD3 H 3.960 0.020 9 543 468 55 PRO CA C 62.300 0.300 1 544 468 55 PRO CB C 33.900 0.300 9 545 468 55 PRO CG C 27.100 0.300 9 546 468 55 PRO CD C 51.750 0.300 1 547 469 56 PRO HA H 4.170 0.020 1 548 469 56 PRO HB2 H 2.090 0.020 2 549 469 56 PRO HB3 H 2.390 0.020 2 550 469 56 PRO HG2 H 1.970 0.020 2 551 469 56 PRO HG3 H 1.880 0.020 2 552 469 56 PRO HD2 H 3.723 0.020 2 553 469 56 PRO HD3 H 3.500 0.020 2 554 469 56 PRO C C 177.602 0.300 1 555 469 56 PRO CA C 62.845 0.300 1 556 469 56 PRO CB C 32.111 0.300 1 557 469 56 PRO CG C 28.006 0.300 1 558 469 56 PRO CD C 50.200 0.300 1 559 470 57 SER H H 8.554 0.020 1 560 470 57 SER HA H 3.480 0.020 1 561 470 57 SER HB2 H 3.765 0.020 2 562 470 57 SER HB3 H 3.480 0.020 2 563 470 57 SER CA C 63.331 0.300 1 564 470 57 SER CB C 61.937 0.300 1 565 470 57 SER N N 116.953 0.300 1 566 471 58 ASN H H 8.454 0.020 1 567 471 58 ASN HA H 4.373 0.020 1 568 471 58 ASN HB2 H 2.820 0.020 2 569 471 58 ASN HB3 H 2.740 0.020 2 570 471 58 ASN HD21 H 7.583 0.020 2 571 471 58 ASN HD22 H 6.907 0.020 2 572 471 58 ASN CA C 55.963 0.300 1 573 471 58 ASN CB C 37.240 0.300 1 574 471 58 ASN N N 117.565 0.300 1 575 472 59 GLN H H 7.607 0.020 1 576 472 59 GLN HA H 4.334 0.020 1 577 472 59 GLN HB2 H 1.958 0.020 2 578 472 59 GLN HB3 H 1.821 0.020 2 579 472 59 GLN HG2 H 2.317 0.020 2 580 472 59 GLN HG3 H 2.270 0.020 2 581 472 59 GLN HE21 H 7.451 0.020 2 582 472 59 GLN HE22 H 6.794 0.020 2 583 472 59 GLN CA C 56.604 0.300 1 584 472 59 GLN CB C 30.011 0.300 1 585 472 59 GLN CG C 33.988 0.300 1 586 472 59 GLN N N 117.288 0.300 1 587 473 60 ARG H H 7.555 0.020 1 588 473 60 ARG HA H 4.310 0.020 1 589 473 60 ARG HB2 H 1.650 0.020 2 590 473 60 ARG HB3 H 1.650 0.020 2 591 473 60 ARG HG2 H 1.570 0.020 2 592 473 60 ARG HG3 H 1.185 0.020 2 593 473 60 ARG HD2 H 3.196 0.020 2 594 473 60 ARG HD3 H 2.971 0.020 2 595 473 60 ARG C C 175.951 0.300 1 596 473 60 ARG CA C 57.516 0.300 1 597 473 60 ARG CB C 30.657 0.300 1 598 473 60 ARG CG C 27.589 0.300 1 599 473 60 ARG CD C 42.583 0.300 1 600 473 60 ARG N N 117.974 0.300 1 601 474 61 LYS H H 7.237 0.020 1 602 474 61 LYS HA H 4.200 0.020 1 603 474 61 LYS HB2 H 1.730 0.020 2 604 474 61 LYS HB3 H 1.630 0.020 2 605 474 61 LYS HG2 H 1.320 0.020 2 606 474 61 LYS HG3 H 1.260 0.020 2 607 474 61 LYS CA C 57.223 0.300 1 608 474 61 LYS CB C 33.144 0.300 1 609 474 61 LYS CG C 24.558 0.300 1 610 474 61 LYS CD C 28.975 0.300 1 611 474 61 LYS CE C 41.747 0.300 1 612 474 61 LYS N N 119.507 0.300 1 613 475 62 GLN H H 7.995 0.020 1 614 475 62 GLN HA H 4.200 0.020 1 615 475 62 GLN HB2 H 1.986 0.020 2 616 475 62 GLN HB3 H 1.782 0.020 2 617 475 62 GLN HG2 H 2.310 0.020 2 618 475 62 GLN HG3 H 2.270 0.020 2 619 475 62 GLN HE21 H 7.427 0.020 2 620 475 62 GLN HE22 H 6.485 0.020 2 621 475 62 GLN CA C 55.673 0.300 1 622 475 62 GLN CB C 30.034 0.300 1 623 475 62 GLN CG C 33.272 0.300 1 624 475 62 GLN N N 123.134 0.300 1 625 476 63 LEU H H 8.228 0.020 1 626 476 63 LEU HA H 4.288 0.020 1 627 476 63 LEU HB2 H 1.605 0.020 2 628 476 63 LEU HB3 H 1.520 0.020 2 629 476 63 LEU HG H 1.580 0.020 1 630 476 63 LEU HD1 H 0.840 0.020 2 631 476 63 LEU HD2 H 0.780 0.020 2 632 476 63 LEU CA C 55.235 0.300 1 633 476 63 LEU CB C 42.233 0.300 1 634 476 63 LEU CG C 26.468 0.300 1 635 476 63 LEU CD1 C 24.558 0.300 2 636 476 63 LEU CD2 C 22.800 0.300 2 637 476 63 LEU N N 123.446 0.300 1 638 477 64 VAL H H 7.907 0.020 1 639 477 64 VAL HA H 4.050 0.020 1 640 477 64 VAL HB H 2.010 0.020 1 641 477 64 VAL HG2 H 0.840 0.020 1 642 477 64 VAL CA C 62.231 0.300 1 643 477 64 VAL CB C 32.855 0.300 1 644 477 64 VAL CG2 C 20.567 0.300 1 645 477 64 VAL N N 120.197 0.300 1 646 478 65 ALA H H 8.300 0.020 1 647 478 65 ALA HA H 4.250 0.020 1 648 478 65 ALA HB H 1.332 0.020 1 649 478 65 ALA C C 177.335 0.300 1 650 478 65 ALA CA C 52.857 0.300 1 651 478 65 ALA CB C 19.404 0.300 1 652 478 65 ALA N N 127.433 0.300 1 653 479 66 ASN H H 8.347 0.020 1 654 479 66 ASN HB2 H 2.820 0.020 2 655 479 66 ASN HB3 H 2.750 0.020 2 656 479 66 ASN HD21 H 6.856 0.020 2 657 479 66 ASN HD22 H 7.558 0.020 2 658 479 66 ASN CA C 53.454 0.300 1 659 479 66 ASN CB C 39.117 0.300 1 660 479 66 ASN N N 117.882 0.300 1 661 480 67 SER H H 8.254 0.020 1 662 480 67 SER HA H 4.440 0.020 1 663 480 67 SER HB2 H 3.880 0.020 2 664 480 67 SER HB3 H 3.849 0.020 2 665 480 67 SER C C 174.523 0.300 1 666 480 67 SER CA C 58.812 0.300 1 667 480 67 SER CB C 64.086 0.300 1 668 480 67 SER N N 116.158 0.300 1 669 481 68 SER H H 8.269 0.020 1 670 481 68 SER HA H 4.449 0.020 1 671 481 68 SER HB2 H 3.846 0.020 2 672 481 68 SER HB3 H 3.846 0.020 2 673 481 68 SER N N 117.671 0.300 1 674 483 70 VAL H H 8.000 0.020 1 675 483 70 VAL HA H 4.010 0.020 1 676 483 70 VAL HB H 2.042 0.020 1 677 483 70 VAL HG2 H 0.858 0.020 2 678 483 70 VAL C C 176.130 0.300 1 679 483 70 VAL CA C 63.131 0.300 1 680 483 70 VAL CB C 32.537 0.300 1 681 483 70 VAL CG1 C 20.964 0.300 2 682 483 70 VAL CG2 C 20.600 0.300 2 683 483 70 VAL N N 121.006 0.300 1 684 484 71 ASP H H 8.234 0.020 1 685 484 71 ASP HA H 4.505 0.020 1 686 484 71 ASP HB2 H 2.650 0.020 2 687 484 71 ASP HB3 H 2.560 0.020 2 688 484 71 ASP CA C 54.888 0.300 1 689 484 71 ASP CB C 41.269 0.300 1 690 484 71 ASP N N 123.054 0.300 1 691 485 72 LYS H H 8.158 0.020 1 692 485 72 LYS HA H 4.120 0.020 1 693 485 72 LYS HB2 H 1.800 0.020 2 694 485 72 LYS HB3 H 1.740 0.020 2 695 485 72 LYS HG2 H 1.334 0.020 2 696 485 72 LYS HG3 H 1.334 0.020 2 697 485 72 LYS HD2 H 1.603 0.020 2 698 485 72 LYS HD3 H 1.603 0.020 2 699 485 72 LYS HE2 H 2.917 0.020 2 700 485 72 LYS HE3 H 2.793 0.020 2 701 485 72 LYS C C 177.335 0.300 1 702 485 72 LYS CA C 57.529 0.300 1 703 485 72 LYS CB C 32.842 0.300 1 704 485 72 LYS CG C 24.614 0.300 1 705 485 72 LYS CD C 28.303 0.300 1 706 485 72 LYS CE C 41.988 0.300 1 707 485 72 LYS N N 121.787 0.300 1 708 486 73 LEU H H 8.081 0.020 1 709 486 73 LEU HA H 4.177 0.020 1 710 486 73 LEU HB2 H 1.650 0.020 2 711 486 73 LEU HB3 H 1.540 0.020 2 712 486 73 LEU HG H 1.580 0.020 1 713 486 73 LEU HD1 H 0.836 0.020 2 714 486 73 LEU HD2 H 0.790 0.020 2 715 486 73 LEU C C 177.826 0.300 1 716 486 73 LEU CA C 55.986 0.300 1 717 486 73 LEU CB C 41.919 0.300 1 718 486 73 LEU CG C 26.518 0.300 1 719 486 73 LEU CD1 C 24.614 0.300 2 720 486 73 LEU CD2 C 23.325 0.300 2 721 486 73 LEU N N 121.787 0.300 1 722 487 74 ALA H H 7.972 0.020 1 723 487 74 ALA HA H 4.134 0.020 1 724 487 74 ALA HB H 1.330 0.020 1 725 487 74 ALA C C 178.540 0.300 1 726 487 74 ALA CA C 53.466 0.300 1 727 487 74 ALA CB C 18.807 0.300 1 728 487 74 ALA N N 123.514 0.300 1 729 488 75 ALA H H 8.004 0.020 1 730 488 75 ALA N N 121.787 0.300 1 731 489 76 ALA H H 7.923 0.020 1 732 489 76 ALA HA H 4.171 0.020 1 733 489 76 ALA N N 121.702 0.300 1 734 490 77 LEU H H 7.907 0.020 1 735 490 77 LEU HA H 4.190 0.020 1 736 490 77 LEU HB2 H 1.607 0.020 2 737 490 77 LEU HB3 H 1.461 0.020 2 738 490 77 LEU HG H 1.580 0.020 1 739 490 77 LEU HD1 H 0.730 0.020 1 740 490 77 LEU HD2 H 0.780 0.020 1 741 490 77 LEU CA C 55.651 0.300 1 742 490 77 LEU CB C 42.513 0.300 1 743 490 77 LEU CG C 26.518 0.300 1 744 490 77 LEU CD1 C 23.300 0.300 1 745 490 77 LEU CD2 C 24.500 0.300 1 746 490 77 LEU N N 119.946 0.300 1 747 491 78 GLU H H 8.034 0.020 1 748 491 78 GLU HA H 4.177 0.020 1 749 491 78 GLU HB2 H 1.840 0.020 2 750 491 78 GLU HB3 H 1.840 0.020 2 751 491 78 GLU HG2 H 2.094 0.020 2 752 491 78 GLU HG3 H 2.094 0.020 2 753 491 78 GLU CA C 56.911 0.300 1 754 491 78 GLU CB C 30.330 0.300 1 755 491 78 GLU CG C 35.800 0.300 1 756 491 78 GLU N N 120.394 0.300 1 757 492 79 HIS H H 8.158 0.020 1 758 492 79 HIS C C 174.523 0.300 1 759 492 79 HIS CA C 56.283 0.300 1 760 492 79 HIS N N 119.148 0.300 1 stop_ save_