data_50219 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mfd_RID ; _BMRB_accession_number 50219 _BMRB_flat_file_name bmr50219.str _Entry_type original _Submission_date 2020-03-30 _Accession_date 2020-03-30 _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 Kawale Ashish A. . 2 Burmann Bjorn M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 388 "13C chemical shifts" 303 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-30 update BMRB 'update entry citation' 2020-10-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50218 'UvrD CTD' stop_ _Original_release_date 2020-03-30 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; UvrD helicase-RNA polymerase interactions are governed by UvrD's carboxy-terminal Tudor domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33154434 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kawale Ashish A. . 2 Burmann Bjorn M. . stop_ _Journal_abbreviation 'Commun. Biol.' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 607 _Page_last 607 _Year 2020 _Details . loop_ _Keyword 'UvrD, Mfd, Tudor, TCR, DNA repair' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name RID _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RID $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; RNLAELHIGQPVVHLEHGVG RYAGMTTLEAGGITGEYLML TYANDAKLYVPVSSLHLISR YAGGAEENAPLHKLGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 472 ARG 2 473 ASN 3 474 LEU 4 475 ALA 5 476 GLU 6 477 LEU 7 478 HIS 8 479 ILE 9 480 GLY 10 481 GLN 11 482 PRO 12 483 VAL 13 484 VAL 14 485 HIS 15 486 LEU 16 487 GLU 17 488 HIS 18 489 GLY 19 490 VAL 20 491 GLY 21 492 ARG 22 493 TYR 23 494 ALA 24 495 GLY 25 496 MET 26 497 THR 27 498 THR 28 499 LEU 29 500 GLU 30 501 ALA 31 502 GLY 32 503 GLY 33 504 ILE 34 505 THR 35 506 GLY 36 507 GLU 37 508 TYR 38 509 LEU 39 510 MET 40 511 LEU 41 512 THR 42 513 TYR 43 514 ALA 44 515 ASN 45 516 ASP 46 517 ALA 47 518 LYS 48 519 LEU 49 520 TYR 50 521 VAL 51 522 PRO 52 523 VAL 53 524 SER 54 525 SER 55 526 LEU 56 527 HIS 57 528 LEU 58 529 ILE 59 530 SER 60 531 ARG 61 532 TYR 62 533 ALA 63 534 GLY 64 535 GLY 65 536 ALA 66 537 GLU 67 538 GLU 68 539 ASN 69 540 ALA 70 541 PRO 71 542 LEU 72 543 HIS 73 544 LYS 74 545 LEU 75 546 GLY 76 547 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 'E. coli' 562 Bacteria . Escherichia coli K12 mfd stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 StarTM (DE3)' plasmid pET28b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; [NaCl]: 137 mM [KCl]: 2.7 mM [Na2HPO4]: 10 mM [KH2PO4]: 1.8 mM ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 600 uM '[U-100% 13C; U-100% 15N]' '1x PBS buffer' 152 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRFAM-SPARKY _Version 1.413 loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_HBCBCGCDCEHE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDCEHE' _Sample_label $sample_1 save_ save_2D_HBCBCGCDHD_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDHD' _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' 152 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D HBCBCGCDCEHE' '2D HBCBCGCDHD' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name RID _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 1 472 1 ARG HA H 3.606 0.00 . 2 472 1 ARG HB2 H 1.708 0.00 . 3 472 1 ARG HB3 H 1.708 0.00 . 4 472 1 ARG HG2 H 1.595 0.00 . 5 472 1 ARG HG3 H 1.595 0.00 . 6 472 1 ARG HD2 H 3.182 0.00 . 7 472 1 ARG HD3 H 3.182 0.00 . 8 472 1 ARG CA C 56.474 0.00 . 9 472 1 ARG CB C 33.341 0.00 . 10 472 1 ARG CG C 26.944 0.00 . 11 472 1 ARG CD C 43.539 0.00 . 12 473 2 ASN HA H 4.735 0.00 . 13 473 2 ASN HB2 H 2.860 0.00 . 14 473 2 ASN HB3 H 2.780 0.00 . 15 473 2 ASN CA C 53.100 0.00 . 16 473 2 ASN CB C 39.070 0.01 . 17 474 3 LEU HA H 4.160 0.00 . 18 474 3 LEU HB2 H 1.639 0.00 . 19 474 3 LEU HB3 H 1.560 0.00 . 20 474 3 LEU HG H 1.649 0.00 . 21 474 3 LEU HD1 H 0.895 0.00 . 22 474 3 LEU HD2 H 0.807 0.00 . 23 474 3 LEU C C 177.467 0.00 . 24 474 3 LEU CA C 55.876 0.00 . 25 474 3 LEU CB C 41.901 0.01 . 26 474 3 LEU CG C 27.143 0.00 . 27 474 3 LEU CD1 C 25.427 0.00 . 28 474 3 LEU CD2 C 23.738 0.00 . 29 475 4 ALA H H 8.134 0.00 . 30 475 4 ALA HA H 4.202 0.00 . 31 475 4 ALA HB H 1.391 0.00 . 32 475 4 ALA C C 177.915 0.03 . 33 475 4 ALA CA C 53.289 0.00 . 34 475 4 ALA CB C 19.089 0.00 . 35 475 4 ALA N N 122.823 0.07 . 36 476 5 GLU H H 7.977 0.01 . 37 476 5 GLU HB2 H 2.072 0.00 . 38 476 5 GLU HB3 H 1.912 0.00 . 39 476 5 GLU HG2 H 2.203 0.00 . 40 476 5 GLU HG3 H 2.203 0.00 . 41 476 5 GLU C C 175.990 0.00 . 42 476 5 GLU CB C 29.884 0.00 . 43 476 5 GLU CG C 36.451 0.00 . 44 476 5 GLU N N 117.554 0.01 . 45 477 6 LEU H H 7.433 0.00 . 46 477 6 LEU HA H 4.417 0.00 . 47 477 6 LEU HB2 H 0.899 0.00 . 48 477 6 LEU HB3 H 0.516 0.00 . 49 477 6 LEU HG H 1.287 0.00 . 50 477 6 LEU HD1 H 0.328 0.00 . 51 477 6 LEU HD2 H 0.414 0.00 . 52 477 6 LEU C C 176.155 0.00 . 53 477 6 LEU CA C 54.404 0.00 . 54 477 6 LEU CB C 43.437 0.00 . 55 477 6 LEU CG C 26.436 0.00 . 56 477 6 LEU CD1 C 25.580 0.00 . 57 477 6 LEU CD2 C 23.444 0.00 . 58 477 6 LEU N N 122.482 0.00 . 59 478 7 HIS H H 8.293 0.00 . 60 478 7 HIS HA H 5.028 0.00 . 61 478 7 HIS HB2 H 3.119 0.00 . 62 478 7 HIS HB3 H 3.066 0.00 . 63 478 7 HIS HD2 H 7.001 0.00 . 64 478 7 HIS C C 175.966 0.01 . 65 478 7 HIS CA C 54.190 0.00 . 66 478 7 HIS CB C 32.386 0.00 . 67 478 7 HIS CD2 C 121.296 0.00 . 68 478 7 HIS N N 120.711 0.05 . 69 479 8 ILE H H 8.859 0.01 . 70 479 8 ILE HA H 3.682 0.00 . 71 479 8 ILE HB H 1.890 0.00 . 72 479 8 ILE HG12 H 1.611 0.00 . 73 479 8 ILE HG13 H 1.140 0.00 . 74 479 8 ILE HG2 H 0.859 0.00 . 75 479 8 ILE HD1 H 0.681 0.00 . 76 479 8 ILE C C 177.965 0.01 . 77 479 8 ILE CA C 63.230 0.00 . 78 479 8 ILE CB C 36.318 0.00 . 79 479 8 ILE CG1 C 28.176 0.03 . 80 479 8 ILE CG2 C 17.233 0.00 . 81 479 8 ILE CD1 C 11.285 0.00 . 82 479 8 ILE N N 124.499 0.02 . 83 480 9 GLY H H 9.302 0.00 . 84 480 9 GLY HA2 H 4.520 0.00 . 85 480 9 GLY HA3 H 3.566 0.00 . 86 480 9 GLY C C 174.333 0.01 . 87 480 9 GLY CA C 44.776 0.00 . 88 480 9 GLY N N 116.846 0.01 . 89 481 10 GLN H H 8.326 0.00 . 90 481 10 GLN HA H 4.509 0.00 . 91 481 10 GLN HB2 H 2.015 0.00 . 92 481 10 GLN HB3 H 1.953 0.00 . 93 481 10 GLN HG2 H 2.560 0.00 . 94 481 10 GLN HG3 H 2.441 0.00 . 95 481 10 GLN CA C 55.064 0.00 . 96 481 10 GLN CB C 30.248 0.01 . 97 481 10 GLN CG C 33.623 0.00 . 98 481 10 GLN N N 123.039 0.02 . 99 482 11 PRO HA H 5.136 0.00 . 100 482 11 PRO HB2 H 1.689 0.00 . 101 482 11 PRO HB3 H 1.626 0.00 . 102 482 11 PRO HG2 H 2.166 0.00 . 103 482 11 PRO HG3 H 1.733 0.00 . 104 482 11 PRO HD2 H 4.069 0.00 . 105 482 11 PRO HD3 H 3.773 0.00 . 106 482 11 PRO C C 175.621 0.00 . 107 482 11 PRO CA C 62.784 0.08 . 108 482 11 PRO CB C 31.707 0.00 . 109 482 11 PRO CG C 28.366 0.00 . 110 482 11 PRO CD C 50.993 0.02 . 111 483 12 VAL H H 8.075 0.01 . 112 483 12 VAL HA H 4.588 0.00 . 113 483 12 VAL HB H 1.937 0.00 . 114 483 12 VAL HG1 H 0.851 0.00 . 115 483 12 VAL HG2 H 0.801 0.00 . 116 483 12 VAL C C 172.633 0.01 . 117 483 12 VAL CA C 60.191 0.03 . 118 483 12 VAL CB C 36.395 0.00 . 119 483 12 VAL CG1 C 23.308 0.00 . 120 483 12 VAL CG2 C 21.132 0.00 . 121 483 12 VAL N N 120.010 0.05 . 122 484 13 VAL H H 9.022 0.00 . 123 484 13 VAL HA H 4.306 0.00 . 124 484 13 VAL HB H 2.050 0.00 . 125 484 13 VAL HG1 H 1.056 0.00 . 126 484 13 VAL HG2 H 0.838 0.00 . 127 484 13 VAL C C 175.075 0.01 . 128 484 13 VAL CA C 61.725 0.05 . 129 484 13 VAL CB C 33.697 0.00 . 130 484 13 VAL CG1 C 22.103 0.00 . 131 484 13 VAL CG2 C 21.483 0.00 . 132 484 13 VAL N N 123.377 0.02 . 133 485 14 HIS H H 8.931 0.01 . 134 485 14 HIS HA H 5.237 0.00 . 135 485 14 HIS HB2 H 3.292 0.00 . 136 485 14 HIS HB3 H 2.883 0.00 . 137 485 14 HIS HD2 H 6.734 0.00 . 138 485 14 HIS C C 177.808 0.00 . 139 485 14 HIS CA C 55.442 0.03 . 140 485 14 HIS CB C 34.289 0.00 . 141 485 14 HIS CD2 C 117.558 0.00 . 142 485 14 HIS N N 130.054 0.05 . 143 486 15 LEU H H 8.671 0.00 . 144 486 15 LEU HA H 3.969 0.00 . 145 486 15 LEU HB2 H 1.598 0.00 . 146 486 15 LEU HB3 H 1.548 0.00 . 147 486 15 LEU HG H 1.647 0.00 . 148 486 15 LEU HD1 H 0.877 0.00 . 149 486 15 LEU HD2 H 0.932 0.00 . 150 486 15 LEU C C 177.730 0.00 . 151 486 15 LEU CA C 58.741 0.00 . 152 486 15 LEU CB C 43.675 0.01 . 153 486 15 LEU CG C 27.131 0.00 . 154 486 15 LEU CD1 C 24.934 0.00 . 155 486 15 LEU CD2 C 24.358 0.00 . 156 486 15 LEU N N 130.188 0.01 . 157 487 16 GLU H H 9.875 0.00 . 158 487 16 GLU HA H 4.359 0.00 . 159 487 16 GLU HB2 H 1.659 0.00 . 160 487 16 GLU HB3 H 1.556 0.00 . 161 487 16 GLU HG2 H 2.075 0.00 . 162 487 16 GLU HG3 H 1.842 0.00 . 163 487 16 GLU C C 178.291 0.02 . 164 487 16 GLU CA C 57.203 0.00 . 165 487 16 GLU CB C 31.554 0.01 . 166 487 16 GLU CG C 36.349 0.02 . 167 487 16 GLU N N 117.389 0.01 . 168 488 17 HIS H H 7.550 0.00 . 169 488 17 HIS HA H 4.540 0.00 . 170 488 17 HIS HB2 H 2.619 0.00 . 171 488 17 HIS HB3 H 2.242 0.00 . 172 488 17 HIS C C 175.521 0.01 . 173 488 17 HIS CA C 57.387 0.00 . 174 488 17 HIS CB C 31.842 0.03 . 175 488 17 HIS N N 116.696 0.01 . 176 489 18 GLY H H 8.712 0.00 . 177 489 18 GLY HA2 H 4.181 0.00 . 178 489 18 GLY HA3 H 3.682 0.00 . 179 489 18 GLY C C 177.631 0.00 . 180 489 18 GLY CA C 45.167 0.01 . 181 489 18 GLY N N 107.767 0.01 . 182 490 19 VAL HA H 4.500 0.00 . 183 490 19 VAL HB H 1.804 0.00 . 184 490 19 VAL HG1 H 1.100 0.00 . 185 490 19 VAL HG2 H 0.653 0.00 . 186 490 19 VAL C C 174.396 0.00 . 187 490 19 VAL CA C 64.481 0.02 . 188 490 19 VAL CB C 31.238 0.00 . 189 490 19 VAL CG1 C 22.349 0.00 . 190 490 19 VAL CG2 C 22.687 0.00 . 191 491 20 GLY H H 8.455 0.00 . 192 491 20 GLY HA2 H 4.196 0.00 . 193 491 20 GLY HA3 H 2.251 0.00 . 194 491 20 GLY C C 175.660 0.03 . 195 491 20 GLY CA C 43.370 0.01 . 196 491 20 GLY N N 116.591 0.03 . 197 492 21 ARG H H 9.056 0.00 . 198 492 21 ARG HA H 4.959 0.00 . 199 492 21 ARG HB2 H 1.709 0.00 . 200 492 21 ARG HB3 H 1.190 0.00 . 201 492 21 ARG HG2 H 1.484 0.00 . 202 492 21 ARG HG3 H 1.182 0.00 . 203 492 21 ARG HD2 H 3.088 0.00 . 204 492 21 ARG HD3 H 2.957 0.00 . 205 492 21 ARG C C 176.376 0.00 . 206 492 21 ARG CA C 52.986 0.05 . 207 492 21 ARG CB C 32.454 0.02 . 208 492 21 ARG CG C 26.911 0.01 . 209 492 21 ARG CD C 42.311 0.00 . 210 492 21 ARG N N 121.966 0.03 . 211 493 22 TYR H H 9.003 0.01 . 212 493 22 TYR HA H 4.555 0.00 . 213 493 22 TYR HB2 H 3.133 0.00 . 214 493 22 TYR HB3 H 2.942 0.00 . 215 493 22 TYR HD1 H 6.915 0.00 . 216 493 22 TYR HD2 H 6.915 0.00 . 217 493 22 TYR HE1 H 6.715 0.00 . 218 493 22 TYR HE2 H 6.715 0.00 . 219 493 22 TYR C C 176.154 0.00 . 220 493 22 TYR CA C 59.270 0.02 . 221 493 22 TYR CB C 37.901 0.00 . 222 493 22 TYR CD1 C 132.695 0.00 . 223 493 22 TYR CD2 C 132.695 0.00 . 224 493 22 TYR CE1 C 119.335 0.00 . 225 493 22 TYR CE2 C 119.335 0.00 . 226 493 22 TYR N N 123.834 0.01 . 227 494 23 ALA H H 8.921 0.00 . 228 494 23 ALA HA H 4.434 0.00 . 229 494 23 ALA HB H 1.149 0.00 . 230 494 23 ALA C C 175.985 0.00 . 231 494 23 ALA CA C 51.423 0.00 . 232 494 23 ALA CB C 20.280 0.00 . 233 494 23 ALA N N 132.565 0.01 . 234 495 24 GLY HA2 H 4.303 0.00 . 235 495 24 GLY HA3 H 3.235 0.00 . 236 495 24 GLY C C 170.805 0.00 . 237 495 24 GLY CA C 44.271 0.00 . 238 496 25 MET H H 8.180 0.00 . 239 496 25 MET HA H 5.585 0.00 . 240 496 25 MET HB2 H 2.179 0.00 . 241 496 25 MET HB3 H 1.986 0.00 . 242 496 25 MET HG2 H 2.765 0.00 . 243 496 25 MET HG3 H 2.709 0.00 . 244 496 25 MET C C 177.085 0.00 . 245 496 25 MET CA C 53.500 0.02 . 246 496 25 MET CB C 34.350 0.00 . 247 496 25 MET CG C 32.048 0.00 . 248 496 25 MET N N 116.917 0.00 . 249 497 26 THR H H 9.361 0.00 . 250 497 26 THR HA H 4.862 0.00 . 251 497 26 THR HB H 4.127 0.00 . 252 497 26 THR HG2 H 1.148 0.00 . 253 497 26 THR C C 172.540 0.00 . 254 497 26 THR CA C 60.568 0.00 . 255 497 26 THR CB C 70.638 0.00 . 256 497 26 THR CG2 C 19.517 0.00 . 257 497 26 THR N N 117.850 0.01 . 258 498 27 THR H H 8.132 0.00 . 259 498 27 THR HA H 5.462 0.00 . 260 498 27 THR HB H 4.039 0.00 . 261 498 27 THR HG2 H 1.171 0.00 . 262 498 27 THR C C 174.082 0.00 . 263 498 27 THR CA C 61.038 0.02 . 264 498 27 THR CB C 71.058 0.00 . 265 498 27 THR CG2 C 21.918 0.00 . 266 498 27 THR N N 118.971 0.00 . 267 499 28 LEU H H 8.765 0.01 . 268 499 28 LEU HA H 4.675 0.00 . 269 499 28 LEU HB2 H 1.315 0.00 . 270 499 28 LEU HB3 H 1.244 0.00 . 271 499 28 LEU HG H 1.058 0.00 . 272 499 28 LEU HD1 H 0.392 0.00 . 273 499 28 LEU HD2 H -0.177 0.00 . 274 499 28 LEU C C 175.816 0.00 . 275 499 28 LEU CA C 54.110 0.00 . 276 499 28 LEU CB C 45.228 0.01 . 277 499 28 LEU CG C 26.583 0.00 . 278 499 28 LEU CD1 C 23.648 0.00 . 279 499 28 LEU CD2 C 23.884 0.00 . 280 499 28 LEU N N 123.998 0.01 . 281 500 29 GLU H H 8.466 0.00 . 282 500 29 GLU HA H 4.879 0.00 . 283 500 29 GLU HB2 H 1.888 0.00 . 284 500 29 GLU HB3 H 1.888 0.00 . 285 500 29 GLU HG2 H 2.075 0.00 . 286 500 29 GLU HG3 H 1.918 0.00 . 287 500 29 GLU C C 175.527 0.02 . 288 500 29 GLU CA C 55.278 0.00 . 289 500 29 GLU CB C 31.346 0.00 . 290 500 29 GLU CG C 36.423 0.02 . 291 500 29 GLU N N 123.877 0.02 . 292 501 30 ALA H H 8.399 0.01 . 293 501 30 ALA HA H 4.504 0.00 . 294 501 30 ALA HB H 1.296 0.00 . 295 501 30 ALA C C 178.593 0.00 . 296 501 30 ALA CA C 52.417 0.00 . 297 501 30 ALA CB C 20.561 0.00 . 298 501 30 ALA N N 128.180 0.02 . 299 502 31 GLY HA2 H 3.905 0.01 . 300 502 31 GLY HA3 H 3.905 0.01 . 301 502 31 GLY CA C 47.063 0.00 . 302 503 32 GLY H H 8.783 0.00 . 303 503 32 GLY HA2 H 4.166 0.00 . 304 503 32 GLY HA3 H 3.674 0.00 . 305 503 32 GLY C C 173.992 0.00 . 306 503 32 GLY CA C 45.171 0.00 . 307 503 32 GLY N N 107.113 0.00 . 308 504 33 ILE H H 7.675 0.00 . 309 504 33 ILE HA H 4.470 0.00 . 310 504 33 ILE HB H 1.985 0.00 . 311 504 33 ILE HG12 H 1.479 0.00 . 312 504 33 ILE HG13 H 1.180 0.00 . 313 504 33 ILE HG2 H 0.929 0.00 . 314 504 33 ILE HD1 H 0.870 0.00 . 315 504 33 ILE C C 176.207 0.03 . 316 504 33 ILE CA C 60.033 0.00 . 317 504 33 ILE CB C 40.022 0.00 . 318 504 33 ILE CG1 C 27.144 0.01 . 319 504 33 ILE CG2 C 17.649 0.00 . 320 504 33 ILE CD1 C 12.702 0.00 . 321 504 33 ILE N N 121.506 0.03 . 322 505 34 THR H H 8.701 0.00 . 323 505 34 THR HA H 4.962 0.01 . 324 505 34 THR HB H 4.043 0.00 . 325 505 34 THR HG2 H 1.150 0.00 . 326 505 34 THR C C 174.578 0.00 . 327 505 34 THR CA C 62.259 0.02 . 328 505 34 THR CB C 69.808 0.00 . 329 505 34 THR CG2 C 21.871 0.00 . 330 505 34 THR N N 123.802 0.03 . 331 506 35 GLY H H 8.686 0.00 . 332 506 35 GLY HA2 H 4.503 0.00 . 333 506 35 GLY HA3 H 3.898 0.00 . 334 506 35 GLY C C 171.458 0.00 . 335 506 35 GLY CA C 44.775 0.01 . 336 506 35 GLY N N 113.893 0.03 . 337 507 36 GLU H H 8.200 0.00 . 338 507 36 GLU HA H 5.083 0.00 . 339 507 36 GLU HB2 H 1.937 0.00 . 340 507 36 GLU HB3 H 1.937 0.00 . 341 507 36 GLU HG2 H 2.277 0.00 . 342 507 36 GLU HG3 H 2.192 0.00 . 343 507 36 GLU C C 176.843 0.01 . 344 507 36 GLU CA C 56.169 0.02 . 345 507 36 GLU CB C 32.168 0.00 . 346 507 36 GLU CG C 37.265 0.02 . 347 507 36 GLU N N 120.238 0.02 . 348 508 37 TYR H H 9.234 0.00 . 349 508 37 TYR HA H 5.078 0.00 . 350 508 37 TYR HB2 H 2.718 0.00 . 351 508 37 TYR HB3 H 2.582 0.00 . 352 508 37 TYR HD1 H 6.844 0.00 . 353 508 37 TYR HD2 H 6.844 0.00 . 354 508 37 TYR HE1 H 6.731 0.00 . 355 508 37 TYR HE2 H 6.731 0.00 . 356 508 37 TYR C C 174.773 0.01 . 357 508 37 TYR CA C 57.048 0.04 . 358 508 37 TYR CB C 42.453 0.00 . 359 508 37 TYR CD1 C 133.369 0.00 . 360 508 37 TYR CD2 C 133.369 0.00 . 361 508 37 TYR CE1 C 118.455 0.00 . 362 508 37 TYR CE2 C 118.455 0.00 . 363 508 37 TYR N N 122.494 0.01 . 364 509 38 LEU H H 9.584 0.00 . 365 509 38 LEU HA H 5.016 0.00 . 366 509 38 LEU HB2 H 1.670 0.00 . 367 509 38 LEU HB3 H 1.670 0.00 . 368 509 38 LEU HG H 1.942 0.00 . 369 509 38 LEU HD1 H 0.943 0.00 . 370 509 38 LEU HD2 H 0.892 0.00 . 371 509 38 LEU C C 176.081 0.01 . 372 509 38 LEU CA C 55.728 0.05 . 373 509 38 LEU CB C 44.103 0.00 . 374 509 38 LEU CG C 28.717 0.00 . 375 509 38 LEU CD1 C 26.606 0.00 . 376 509 38 LEU CD2 C 26.404 0.00 . 377 509 38 LEU N N 123.525 0.02 . 378 510 39 MET H H 9.075 0.00 . 379 510 39 MET HA H 4.942 0.00 . 380 510 39 MET HB2 H 1.751 0.00 . 381 510 39 MET HB3 H 1.503 0.00 . 382 510 39 MET HG2 H 1.985 0.00 . 383 510 39 MET HG3 H 1.825 0.00 . 384 510 39 MET C C 174.108 0.00 . 385 510 39 MET CA C 55.018 0.06 . 386 510 39 MET CB C 35.680 0.01 . 387 510 39 MET CG C 31.727 0.01 . 388 510 39 MET N N 123.825 0.02 . 389 511 40 LEU H H 9.028 0.01 . 390 511 40 LEU HA H 5.175 0.00 . 391 511 40 LEU HB2 H 1.322 0.00 . 392 511 40 LEU HB3 H 1.140 0.00 . 393 511 40 LEU HG H 1.666 0.00 . 394 511 40 LEU HD1 H 1.038 0.00 . 395 511 40 LEU HD2 H 0.960 0.00 . 396 511 40 LEU C C 176.111 0.00 . 397 511 40 LEU CA C 53.163 0.04 . 398 511 40 LEU CB C 46.431 0.02 . 399 511 40 LEU CG C 28.809 0.00 . 400 511 40 LEU CD1 C 25.523 0.00 . 401 511 40 LEU CD2 C 25.391 0.00 . 402 511 40 LEU N N 125.770 0.07 . 403 512 41 THR H H 9.285 0.00 . 404 512 41 THR HA H 5.011 0.00 . 405 512 41 THR HB H 3.887 0.00 . 406 512 41 THR HG2 H 1.101 0.00 . 407 512 41 THR C C 173.629 0.01 . 408 512 41 THR CA C 60.896 0.03 . 409 512 41 THR CB C 70.539 0.00 . 410 512 41 THR CG2 C 22.684 0.00 . 411 512 41 THR N N 116.440 0.03 . 412 513 42 TYR H H 8.843 0.00 . 413 513 42 TYR HA H 4.604 0.01 . 414 513 42 TYR HB2 H 3.533 0.00 . 415 513 42 TYR HB3 H 2.384 0.00 . 416 513 42 TYR C C 175.381 0.00 . 417 513 42 TYR CA C 58.398 0.00 . 418 513 42 TYR CB C 41.784 0.00 . 419 513 42 TYR N N 125.738 0.03 . 420 514 43 ALA H H 8.633 0.00 . 421 514 43 ALA HA H 4.096 0.00 . 422 514 43 ALA HB H 1.343 0.00 . 423 514 43 ALA C C 178.653 0.00 . 424 514 43 ALA CA C 53.751 0.00 . 425 514 43 ALA CB C 18.745 0.00 . 426 514 43 ALA N N 121.763 0.02 . 427 515 44 ASN H H 9.218 0.00 . 428 515 44 ASN HA H 4.342 0.00 . 429 515 44 ASN HB2 H 3.035 0.00 . 430 515 44 ASN HB3 H 2.910 0.00 . 431 515 44 ASN CA C 54.864 0.00 . 432 515 44 ASN CB C 37.160 0.01 . 433 515 44 ASN N N 116.745 0.00 . 434 516 45 ASP H H 8.386 0.00 . 435 516 45 ASP HA H 4.219 0.00 . 436 516 45 ASP HB2 H 2.950 0.00 . 437 516 45 ASP HB3 H 2.705 0.00 . 438 516 45 ASP C C 174.828 0.02 . 439 516 45 ASP CA C 55.768 0.00 . 440 516 45 ASP CB C 39.892 0.00 . 441 516 45 ASP N N 113.512 0.01 . 442 517 46 ALA H H 7.030 0.01 . 443 517 46 ALA HA H 4.272 0.00 . 444 517 46 ALA HB H 1.416 0.00 . 445 517 46 ALA C C 176.917 0.00 . 446 517 46 ALA CA C 52.775 0.00 . 447 517 46 ALA CB C 20.533 0.00 . 448 517 46 ALA N N 123.553 0.04 . 449 518 47 LYS H H 8.233 0.00 . 450 518 47 LYS HA H 5.052 0.00 . 451 518 47 LYS HB2 H 1.576 0.00 . 452 518 47 LYS HB3 H 1.221 0.00 . 453 518 47 LYS HG2 H 1.289 0.00 . 454 518 47 LYS HG3 H 1.126 0.00 . 455 518 47 LYS HD2 H 1.525 0.00 . 456 518 47 LYS HD3 H 1.422 0.00 . 457 518 47 LYS HE2 H 2.838 0.00 . 458 518 47 LYS HE3 H 2.838 0.00 . 459 518 47 LYS C C 174.988 0.01 . 460 518 47 LYS CA C 55.045 0.03 . 461 518 47 LYS CB C 35.727 0.01 . 462 518 47 LYS CG C 25.032 0.01 . 463 518 47 LYS CD C 29.319 0.01 . 464 518 47 LYS CE C 42.315 0.00 . 465 518 47 LYS N N 121.035 0.00 . 466 519 48 LEU H H 9.056 0.01 . 467 519 48 LEU HA H 4.430 0.00 . 468 519 48 LEU HB2 H 1.833 0.00 . 469 519 48 LEU HB3 H 1.734 0.00 . 470 519 48 LEU HG H 0.481 0.00 . 471 519 48 LEU HD1 H 0.562 0.00 . 472 519 48 LEU HD2 H 0.562 0.00 . 473 519 48 LEU C C 174.714 0.00 . 474 519 48 LEU CA C 53.399 0.00 . 475 519 48 LEU CB C 46.428 0.01 . 476 519 48 LEU CG C 27.408 0.00 . 477 519 48 LEU CD1 C 23.392 0.00 . 478 519 48 LEU CD2 C 23.392 0.00 . 479 519 48 LEU N N 125.667 0.05 . 480 520 49 TYR H H 8.670 0.00 . 481 520 49 TYR HA H 5.161 0.00 . 482 520 49 TYR HB2 H 2.718 0.00 . 483 520 49 TYR HB3 H 2.428 0.00 . 484 520 49 TYR HD1 H 6.755 0.00 . 485 520 49 TYR HD2 H 6.755 0.00 . 486 520 49 TYR HE1 H 6.647 0.00 . 487 520 49 TYR HE2 H 6.647 0.00 . 488 520 49 TYR C C 176.163 0.01 . 489 520 49 TYR CA C 56.801 0.07 . 490 520 49 TYR CB C 38.767 0.03 . 491 520 49 TYR CD1 C 132.894 0.00 . 492 520 49 TYR CD2 C 132.894 0.00 . 493 520 49 TYR CE1 C 117.953 0.00 . 494 520 49 TYR CE2 C 117.953 0.00 . 495 520 49 TYR N N 125.689 0.07 . 496 521 50 VAL H H 9.806 0.00 . 497 521 50 VAL HB H 2.266 0.00 . 498 521 50 VAL HG1 H 1.104 0.00 . 499 521 50 VAL HG2 H 1.057 0.00 . 500 521 50 VAL C C 173.502 0.00 . 501 521 50 VAL CB C 34.970 0.00 . 502 521 50 VAL CG1 C 22.057 0.00 . 503 521 50 VAL CG2 C 19.995 0.00 . 504 521 50 VAL N N 128.282 0.02 . 505 522 51 PRO HA H 4.100 0.00 . 506 522 51 PRO HB2 H 2.135 0.00 . 507 522 51 PRO HB3 H 2.015 0.00 . 508 522 51 PRO HG2 H 2.187 0.00 . 509 522 51 PRO HG3 H 2.187 0.00 . 510 522 51 PRO HD2 H 4.154 0.00 . 511 522 51 PRO HD3 H 3.979 0.00 . 512 522 51 PRO C C 178.825 0.00 . 513 522 51 PRO CA C 63.247 0.04 . 514 522 51 PRO CB C 32.007 0.01 . 515 522 51 PRO CG C 27.640 0.00 . 516 522 51 PRO CD C 51.262 0.00 . 517 523 52 VAL H H 7.734 0.00 . 518 523 52 VAL HA H 3.798 0.00 . 519 523 52 VAL HB H 2.133 0.00 . 520 523 52 VAL HG1 H 0.973 0.00 . 521 523 52 VAL HG2 H 1.012 0.00 . 522 523 52 VAL C C 177.396 0.00 . 523 523 52 VAL CA C 65.733 0.00 . 524 523 52 VAL CB C 31.720 0.00 . 525 523 52 VAL CG1 C 21.712 0.00 . 526 523 52 VAL CG2 C 21.133 0.00 . 527 523 52 VAL N N 119.423 0.05 . 528 524 53 SER H H 8.001 0.01 . 529 524 53 SER HA H 4.430 0.00 . 530 524 53 SER HB2 H 4.169 0.00 . 531 524 53 SER HB3 H 3.930 0.00 . 532 524 53 SER C C 175.878 0.03 . 533 524 53 SER CA C 59.687 0.00 . 534 524 53 SER CB C 62.833 0.01 . 535 524 53 SER N N 114.276 0.04 . 536 525 54 SER H H 8.349 0.00 . 537 525 54 SER HA H 5.043 0.00 . 538 525 54 SER HB2 H 4.234 0.00 . 539 525 54 SER HB3 H 3.778 0.00 . 540 525 54 SER C C 174.433 0.00 . 541 525 54 SER CA C 57.636 0.00 . 542 525 54 SER CB C 63.857 0.01 . 543 525 54 SER N N 118.923 0.05 . 544 526 55 LEU H H 7.492 0.00 . 545 526 55 LEU HA H 3.820 0.00 . 546 526 55 LEU HB2 H 1.909 0.00 . 547 526 55 LEU HB3 H 1.694 0.00 . 548 526 55 LEU HG H 1.954 0.00 . 549 526 55 LEU HD1 H 0.959 0.00 . 550 526 55 LEU HD2 H 0.862 0.00 . 551 526 55 LEU C C 177.357 0.00 . 552 526 55 LEU CA C 57.762 0.00 . 553 526 55 LEU CB C 41.571 0.01 . 554 526 55 LEU CG C 27.131 0.00 . 555 526 55 LEU CD1 C 25.452 0.00 . 556 526 55 LEU CD2 C 24.732 0.00 . 557 526 55 LEU N N 120.693 0.05 . 558 527 56 HIS H H 8.167 0.01 . 559 527 56 HIS HA H 4.472 0.00 . 560 527 56 HIS HB2 H 3.231 0.00 . 561 527 56 HIS HB3 H 2.999 0.00 . 562 527 56 HIS HD2 H 6.962 0.00 . 563 527 56 HIS C C 176.640 0.01 . 564 527 56 HIS CA C 58.235 0.00 . 565 527 56 HIS CB C 29.352 0.00 . 566 527 56 HIS CD2 C 118.618 0.00 . 567 527 56 HIS N N 115.303 0.03 . 568 528 57 LEU H H 7.323 0.00 . 569 528 57 LEU HA H 3.994 0.00 . 570 528 57 LEU HB2 H 1.367 0.00 . 571 528 57 LEU HB3 H 0.821 0.00 . 572 528 57 LEU HG H 0.919 0.00 . 573 528 57 LEU HD1 H 0.696 0.00 . 574 528 57 LEU HD2 H 0.696 0.00 . 575 528 57 LEU C C 175.763 0.01 . 576 528 57 LEU CA C 55.247 0.00 . 577 528 57 LEU CB C 42.063 0.00 . 578 528 57 LEU CG C 26.234 0.00 . 579 528 57 LEU CD1 C 23.017 0.00 . 580 528 57 LEU CD2 C 23.017 0.00 . 581 528 57 LEU N N 120.546 0.06 . 582 529 58 ILE H H 7.658 0.01 . 583 529 58 ILE HA H 5.232 0.00 . 584 529 58 ILE HB H 1.994 0.00 . 585 529 58 ILE HG12 H 1.408 0.00 . 586 529 58 ILE HG13 H 1.268 0.00 . 587 529 58 ILE HG2 H 0.745 0.00 . 588 529 58 ILE HD1 H 0.797 0.00 . 589 529 58 ILE C C 175.098 0.01 . 590 529 58 ILE CA C 58.024 0.04 . 591 529 58 ILE CB C 38.933 0.00 . 592 529 58 ILE CG1 C 26.834 0.04 . 593 529 58 ILE CG2 C 18.304 0.00 . 594 529 58 ILE CD1 C 13.528 0.00 . 595 529 58 ILE N N 117.293 0.04 . 596 530 59 SER H H 8.923 0.00 . 597 530 59 SER HA H 4.750 0.00 . 598 530 59 SER HB2 H 3.818 0.00 . 599 530 59 SER HB3 H 3.784 0.00 . 600 530 59 SER C C 173.816 0.00 . 601 530 59 SER CA C 56.724 0.00 . 602 530 59 SER CB C 66.369 0.00 . 603 530 59 SER N N 118.352 0.01 . 604 531 60 ARG H H 8.689 0.00 . 605 531 60 ARG HA H 4.270 0.00 . 606 531 60 ARG HB2 H 1.850 0.00 . 607 531 60 ARG HB3 H 1.754 0.00 . 608 531 60 ARG HG2 H 1.673 0.00 . 609 531 60 ARG HG3 H 1.583 0.00 . 610 531 60 ARG HD2 H 3.199 0.00 . 611 531 60 ARG HD3 H 3.199 0.00 . 612 531 60 ARG CA C 56.819 0.07 . 613 531 60 ARG CB C 30.527 0.01 . 614 531 60 ARG CG C 27.889 0.01 . 615 531 60 ARG CD C 43.280 0.00 . 616 531 60 ARG N N 121.519 0.00 . 617 532 61 TYR H H 8.553 0.00 . 618 532 61 TYR HA H 4.361 0.00 . 619 532 61 TYR HB2 H 2.825 0.00 . 620 532 61 TYR HB3 H 2.604 0.00 . 621 532 61 TYR HD1 H 7.024 0.00 . 622 532 61 TYR HD2 H 7.024 0.00 . 623 532 61 TYR HE1 H 6.766 0.00 . 624 532 61 TYR HE2 H 6.766 0.00 . 625 532 61 TYR CA C 58.846 0.00 . 626 532 61 TYR CB C 39.483 0.04 . 627 532 61 TYR CD1 C 133.577 0.00 . 628 532 61 TYR CD2 C 133.577 0.00 . 629 532 61 TYR CE1 C 118.672 0.00 . 630 532 61 TYR CE2 C 118.672 0.00 . 631 532 61 TYR N N 124.327 0.01 . 632 533 62 ALA HA H 4.361 0.00 . 633 533 62 ALA HB H 1.472 0.00 . 634 533 62 ALA CA C 52.885 0.00 . 635 533 62 ALA CB C 18.857 0.02 . 636 534 63 GLY HA2 H 3.893 0.00 . 637 534 63 GLY HA3 H 3.556 0.00 . 638 534 63 GLY CA C 45.882 0.00 . 639 535 64 GLY H H 7.626 0.00 . 640 535 64 GLY N N 108.381 0.00 . 641 536 65 ALA HA H 4.521 0.00 . 642 536 65 ALA HB H 1.209 0.00 . 643 536 65 ALA CA C 51.237 0.00 . 644 536 65 ALA CB C 19.815 0.00 . 645 537 66 GLU HA H 3.937 0.00 . 646 537 66 GLU HB2 H 2.072 0.00 . 647 537 66 GLU HB3 H 2.072 0.00 . 648 537 66 GLU HG2 H 2.524 0.00 . 649 537 66 GLU HG3 H 2.293 0.00 . 650 537 66 GLU CA C 59.711 0.00 . 651 537 66 GLU CB C 29.885 0.00 . 652 537 66 GLU CG C 37.393 0.01 . 653 538 67 GLU H H 9.150 0.00 . 654 538 67 GLU HA H 4.176 0.00 . 655 538 67 GLU HB2 H 2.019 0.00 . 656 538 67 GLU HB3 H 2.019 0.00 . 657 538 67 GLU HG2 H 2.268 0.00 . 658 538 67 GLU HG3 H 2.247 0.00 . 659 538 67 GLU CA C 58.257 0.00 . 660 538 67 GLU CB C 29.281 0.00 . 661 538 67 GLU CG C 36.203 0.01 . 662 538 67 GLU N N 119.156 0.00 . 663 539 68 ASN H H 7.753 0.00 . 664 539 68 ASN HA H 4.901 0.00 . 665 539 68 ASN HB2 H 2.993 0.00 . 666 539 68 ASN HB3 H 2.602 0.00 . 667 539 68 ASN CA C 52.265 0.00 . 668 539 68 ASN CB C 39.570 0.05 . 669 539 68 ASN N N 117.368 0.00 . 670 540 69 ALA H H 7.560 0.00 . 671 540 69 ALA HA H 4.215 0.00 . 672 540 69 ALA HB H 0.779 0.00 . 673 540 69 ALA C C 175.453 0.00 . 674 540 69 ALA CA C 50.871 0.00 . 675 540 69 ALA CB C 17.464 0.00 . 676 540 69 ALA N N 125.365 0.03 . 677 541 70 PRO HA H 4.330 0.00 . 678 541 70 PRO HB2 H 2.190 0.00 . 679 541 70 PRO HB3 H 1.393 0.00 . 680 541 70 PRO HG2 H 2.119 0.00 . 681 541 70 PRO HG3 H 1.769 0.00 . 682 541 70 PRO HD2 H 3.873 0.00 . 683 541 70 PRO HD3 H 3.231 0.00 . 684 541 70 PRO C C 176.137 0.00 . 685 541 70 PRO CA C 62.570 0.00 . 686 541 70 PRO CB C 32.677 0.00 . 687 541 70 PRO CG C 27.114 0.01 . 688 541 70 PRO CD C 50.315 0.00 . 689 542 71 LEU H H 8.274 0.00 . 690 542 71 LEU HA H 4.490 0.00 . 691 542 71 LEU HB2 H 1.805 0.00 . 692 542 71 LEU HB3 H 1.089 0.00 . 693 542 71 LEU HG H 1.358 0.00 . 694 542 71 LEU HD1 H 0.761 0.00 . 695 542 71 LEU HD2 H 0.812 0.00 . 696 542 71 LEU C C 174.775 0.00 . 697 542 71 LEU CA C 54.306 0.00 . 698 542 71 LEU CB C 43.330 0.00 . 699 542 71 LEU CG C 27.471 0.00 . 700 542 71 LEU CD1 C 25.907 0.00 . 701 542 71 LEU CD2 C 24.768 0.00 . 702 542 71 LEU N N 123.576 0.03 . 703 543 72 HIS H H 8.783 0.00 . 704 543 72 HIS HA H 4.757 0.00 . 705 543 72 HIS HB2 H 3.423 0.00 . 706 543 72 HIS HB3 H 3.289 0.00 . 707 543 72 HIS HD2 H 7.211 0.00 . 708 543 72 HIS C C 174.537 0.01 . 709 543 72 HIS CA C 57.908 0.00 . 710 543 72 HIS CB C 32.774 0.01 . 711 543 72 HIS CD2 C 116.884 0.00 . 712 543 72 HIS N N 126.291 0.04 . 713 544 73 LYS H H 8.642 0.00 . 714 544 73 LYS HA H 4.684 0.00 . 715 544 73 LYS HB3 H 1.761 0.03 . 716 544 73 LYS HG2 H 1.490 0.00 . 717 544 73 LYS HG3 H 1.352 0.00 . 718 544 73 LYS HD2 H 1.681 0.00 . 719 544 73 LYS HD3 H 1.681 0.00 . 720 544 73 LYS HE2 H 2.984 0.00 . 721 544 73 LYS HE3 H 2.984 0.00 . 722 544 73 LYS C C 177.219 0.02 . 723 544 73 LYS CA C 55.431 0.00 . 724 544 73 LYS CB C 34.112 0.01 . 725 544 73 LYS CG C 24.963 0.02 . 726 544 73 LYS CD C 29.607 0.00 . 727 544 73 LYS CE C 42.263 0.00 . 728 544 73 LYS N N 120.603 0.02 . 729 545 74 LEU H H 9.013 0.00 . 730 545 74 LEU HA H 4.103 0.00 . 731 545 74 LEU HB2 H 1.367 0.00 . 732 545 74 LEU HB3 H 1.168 0.00 . 733 545 74 LEU HG H 1.128 0.00 . 734 545 74 LEU HD1 H 0.203 0.00 . 735 545 74 LEU HD2 H 0.103 0.00 . 736 545 74 LEU C C 177.821 0.00 . 737 545 74 LEU CA C 54.964 0.00 . 738 545 74 LEU CB C 42.072 0.01 . 739 545 74 LEU CG C 26.651 0.00 . 740 545 74 LEU CD1 C 24.278 0.00 . 741 545 74 LEU CD2 C 23.858 0.00 . 742 545 74 LEU N N 127.627 0.05 . 743 546 75 GLY H H 8.813 0.00 . 744 546 75 GLY HA2 H 3.970 0.00 . 745 546 75 GLY HA3 H 3.863 0.00 . 746 546 75 GLY C C 173.866 0.00 . 747 546 75 GLY CA C 45.443 0.01 . 748 546 75 GLY N N 114.417 0.00 . 749 547 76 GLY H H 7.867 0.00 . 750 547 76 GLY HA2 H 3.753 0.00 . 751 547 76 GLY HA3 H 3.753 0.00 . 752 547 76 GLY C C 179.317 0.00 . 753 547 76 GLY CA C 46.228 0.00 . 754 547 76 GLY N N 115.281 0.02 . stop_ save_