data_27288 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RAP74-CTD ; _BMRB_accession_number 27288 _BMRB_flat_file_name bmr27288.str _Entry_type original _Submission_date 2017-10-20 _Accession_date 2017-10-20 _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 'De Mol' Eva . . 2 Bertoncini Carlos W. . 3 Fenwick Bryn . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 61 "13C chemical shifts" 188 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-01-18 update BMRB 'update entry citation' 2017-12-11 original author 'original release' stop_ _Original_release_date 2017-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Regulation of Androgen Receptor Activity by Transient Interactions of Its Transactivation Domain with General Transcription Regulators ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29225078 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Mol' Eva . . 2 Szulc Elzbieta . . 3 'Di Sanza' Claudio . . 4 'Mart nez-Cristobal' Paula . . 5 Bertoncini Carlos W. . 6 Fenwick Bryn . . 7 'Frigol -Vivas' Marta . . 8 Masin Marianela . . 9 Hunter Irene . . 10 Buzon Victor . . 11 Brun-Heath Isabelle . . 12 Garcia Jesus . . 13 'De Fabritiis' Gianni . . 14 Estebanez-Perpi Eva . . 15 McEwan Iain J. . 16 Nebreda ngel R. . 17 Salvatella Xavier . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 26 _Journal_issue 1 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 145 _Page_last 152 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RAP74-CTD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RAP74-CTD, 1' $RAP74-CTD 'RAP74-CTD, 2' $RAP74-CTD 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_RAP74-CTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RAP74-CTD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GDVQVTEDAVRRYLTRKPMT TKDLLKKFQTKKTGLSSEQT VNVLAQILKRLNPERKMIND KMHFSLKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 450 GLY 2 451 ASP 3 452 VAL 4 453 GLN 5 454 VAL 6 455 THR 7 456 GLU 8 457 ASP 9 458 ALA 10 459 VAL 11 460 ARG 12 461 ARG 13 462 TYR 14 463 LEU 15 464 THR 16 465 ARG 17 466 LYS 18 467 PRO 19 468 MET 20 469 THR 21 470 THR 22 471 LYS 23 472 ASP 24 473 LEU 25 474 LEU 26 475 LYS 27 476 LYS 28 477 PHE 29 478 GLN 30 479 THR 31 480 LYS 32 481 LYS 33 482 THR 34 483 GLY 35 484 LEU 36 485 SER 37 486 SER 38 487 GLU 39 488 GLN 40 489 THR 41 490 VAL 42 491 ASN 43 492 VAL 44 493 LEU 45 494 ALA 46 495 GLN 47 496 ILE 48 497 LEU 49 498 LYS 50 499 ARG 51 500 LEU 52 501 ASN 53 502 PRO 54 503 GLU 55 504 ARG 56 505 LYS 57 506 MET 58 507 ILE 59 508 ASN 60 509 ASP 61 510 LYS 62 511 MET 63 512 HIS 64 513 PHE 65 514 SER 66 515 LEU 67 516 LYS 68 517 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RAP74-CTD 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 $RAP74-CTD 'recombinant technology' . Escherichia coli . pDEST-HisMBP 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 $RAP74-CTD 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 0.02 . M pH 6.5 . 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 H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.10132912 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 HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' 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 'RAP74-CTD, 1' _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 1 451 2 ASP C C 176.235 0.000 1 2 451 2 ASP CA C 54.787 0.000 1 3 451 2 ASP CB C 41.769 0.000 1 4 452 3 VAL H H 8.261 0.003 1 5 452 3 VAL C C 175.307 0.000 1 6 452 3 VAL CA C 62.391 0.000 1 7 452 3 VAL CB C 32.997 0.000 1 8 452 3 VAL N N 120.454 0.026 1 9 453 4 GLN H H 8.330 0.003 1 10 453 4 GLN C C 175.410 0.000 1 11 453 4 GLN CA C 55.124 0.000 1 12 453 4 GLN CB C 30.740 0.000 1 13 453 4 GLN N N 123.067 0.010 1 14 454 5 VAL H H 8.586 0.004 1 15 454 5 VAL C C 174.244 0.000 1 16 454 5 VAL CA C 62.336 0.000 1 17 454 5 VAL CB C 29.907 0.000 1 18 454 5 VAL N N 123.552 0.007 1 19 455 6 THR H H 6.715 0.005 1 20 455 6 THR C C 174.614 0.000 1 21 455 6 THR CA C 58.785 0.000 1 22 455 6 THR CB C 72.744 0.000 1 23 455 6 THR N N 113.707 0.030 1 24 456 7 GLU H H 9.159 0.004 1 25 456 7 GLU C C 177.615 0.000 1 26 456 7 GLU CA C 60.387 0.000 1 27 456 7 GLU CB C 29.960 0.000 1 28 456 7 GLU N N 122.111 0.031 1 29 457 8 ASP H H 8.443 0.003 1 30 457 8 ASP C C 177.927 0.000 1 31 457 8 ASP CA C 57.423 0.000 1 32 457 8 ASP CB C 41.150 0.000 1 33 457 8 ASP N N 116.616 0.006 1 34 458 9 ALA H H 7.849 0.004 1 35 458 9 ALA C C 179.556 0.000 1 36 458 9 ALA CA C 54.951 0.000 1 37 458 9 ALA CB C 18.982 0.000 1 38 458 9 ALA N N 121.555 0.018 1 39 459 10 VAL H H 7.943 0.004 1 40 459 10 VAL C C 177.334 0.001 1 41 459 10 VAL CA C 67.722 0.000 1 42 459 10 VAL CB C 31.586 0.000 1 43 459 10 VAL N N 116.698 0.012 1 44 460 11 ARG H H 8.758 0.003 1 45 460 11 ARG C C 178.335 0.000 1 46 460 11 ARG CA C 60.161 0.000 1 47 460 11 ARG CB C 30.175 0.000 1 48 460 11 ARG N N 119.567 0.011 1 49 461 12 ARG H H 7.814 0.003 1 50 461 12 ARG C C 179.416 0.000 1 51 461 12 ARG CA C 59.578 0.000 1 52 461 12 ARG CB C 29.845 0.000 1 53 461 12 ARG N N 118.489 0.006 1 54 462 13 TYR H H 7.675 0.004 1 55 462 13 TYR C C 178.517 0.000 1 56 462 13 TYR CA C 61.356 0.000 1 57 462 13 TYR CB C 37.771 0.000 1 58 462 13 TYR N N 117.248 0.019 1 59 463 14 LEU H H 8.341 0.004 1 60 463 14 LEU C C 178.603 0.000 1 61 463 14 LEU CA C 56.563 0.000 1 62 463 14 LEU CB C 42.392 0.000 1 63 463 14 LEU N N 115.594 0.010 1 64 464 15 THR H H 7.973 0.004 1 65 464 15 THR C C 175.779 0.000 1 66 464 15 THR CA C 63.473 0.000 1 67 464 15 THR CB C 69.650 0.000 1 68 464 15 THR N N 111.610 0.047 1 69 465 16 ARG H H 7.443 0.006 1 70 465 16 ARG C C 176.700 0.000 1 71 465 16 ARG CA C 58.376 0.000 1 72 465 16 ARG CB C 31.220 0.000 1 73 465 16 ARG N N 122.162 0.020 1 74 466 17 LYS H H 7.874 0.003 1 75 466 17 LYS CA C 54.443 0.000 1 76 466 17 LYS CB C 33.352 0.000 1 77 466 17 LYS N N 117.087 0.022 1 78 467 18 PRO C C 178.178 0.000 1 79 467 18 PRO CA C 62.214 0.000 1 80 467 18 PRO CB C 31.844 0.000 1 81 468 19 MET H H 8.928 0.002 1 82 468 19 MET C C 176.034 0.000 1 83 468 19 MET CA C 54.789 0.000 1 84 468 19 MET CB C 38.677 0.000 1 85 468 19 MET N N 121.146 0.006 1 86 469 20 THR H H 9.035 0.004 1 87 469 20 THR C C 175.961 0.000 1 88 469 20 THR CA C 60.149 0.000 1 89 469 20 THR CB C 71.424 0.000 1 90 469 20 THR N N 113.538 0.013 1 91 470 21 THR H H 9.080 0.003 1 92 470 21 THR C C 176.473 0.000 1 93 470 21 THR CA C 67.938 0.000 1 94 470 21 THR N N 116.088 0.023 1 95 471 22 LYS H H 8.008 0.003 1 96 471 22 LYS C C 178.701 0.000 1 97 471 22 LYS CA C 59.995 0.000 1 98 471 22 LYS CB C 32.218 0.000 1 99 471 22 LYS N N 120.659 0.054 1 100 472 23 ASP H H 7.956 0.002 1 101 472 23 ASP C C 179.456 0.000 1 102 472 23 ASP CA C 57.343 0.000 1 103 472 23 ASP CB C 41.157 0.000 1 104 472 23 ASP N N 120.006 0.008 1 105 473 24 LEU H H 8.003 0.002 1 106 473 24 LEU C C 178.323 0.000 1 107 473 24 LEU CA C 57.890 0.000 1 108 473 24 LEU CB C 43.303 0.000 1 109 473 24 LEU N N 120.560 0.019 1 110 474 25 LEU H H 8.488 0.003 1 111 474 25 LEU C C 179.404 0.000 1 112 474 25 LEU CA C 58.610 0.000 1 113 474 25 LEU CB C 41.618 0.000 1 114 474 25 LEU N N 119.552 0.141 1 115 475 26 LYS H H 7.597 0.004 1 116 475 26 LYS C C 178.796 0.000 1 117 475 26 LYS CA C 58.842 0.000 1 118 475 26 LYS CB C 32.511 0.000 1 119 475 26 LYS N N 116.920 0.013 1 120 476 27 LYS H H 7.328 0.004 1 121 476 27 LYS C C 177.663 0.000 1 122 476 27 LYS CA C 55.901 0.000 1 123 476 27 LYS CB C 30.843 0.000 1 124 476 27 LYS N N 115.625 0.009 1 125 477 28 PHE H H 7.547 0.002 1 126 477 28 PHE C C 175.693 0.000 1 127 477 28 PHE CA C 58.092 0.000 1 128 477 28 PHE CB C 39.674 0.000 1 129 477 28 PHE N N 117.104 0.021 1 130 478 29 GLN H H 8.212 0.003 1 131 478 29 GLN C C 176.919 0.000 1 132 478 29 GLN CA C 56.852 0.000 1 133 478 29 GLN CB C 29.225 0.000 1 134 478 29 GLN N N 120.858 0.139 1 135 481 32 LYS H H 8.160 0.005 1 136 481 32 LYS C C 176.947 0.000 1 137 481 32 LYS N N 118.988 0.015 1 138 482 33 THR H H 8.054 0.027 1 139 482 33 THR C C 176.338 0.000 1 140 482 33 THR CA C 62.043 0.000 1 141 482 33 THR CB C 70.263 0.000 1 142 482 33 THR N N 111.247 0.093 1 143 483 34 GLY H H 8.500 0.004 1 144 483 34 GLY C C 173.874 0.000 1 145 483 34 GLY CA C 45.625 0.000 1 146 483 34 GLY N N 110.596 0.015 1 147 484 35 LEU H H 8.108 0.002 1 148 484 35 LEU C C 177.551 0.000 1 149 484 35 LEU CA C 54.020 0.000 1 150 484 35 LEU CB C 43.839 0.000 1 151 484 35 LEU N N 121.158 0.027 1 152 485 36 SER H H 8.758 0.003 1 153 485 36 SER C C 176.563 0.000 1 154 485 36 SER CA C 57.487 0.000 1 155 485 36 SER CB C 64.967 0.000 1 156 485 36 SER N N 116.981 0.009 1 157 486 37 SER C C 176.063 0.000 1 158 486 37 SER CA C 61.830 0.000 1 159 487 38 GLU H H 8.708 0.004 1 160 487 38 GLU C C 178.864 0.000 1 161 487 38 GLU CA C 59.667 0.000 1 162 487 38 GLU CB C 29.437 0.000 1 163 487 38 GLU N N 121.297 0.004 1 164 488 39 GLN H H 7.994 0.004 1 165 488 39 GLN C C 178.567 0.000 1 166 488 39 GLN CA C 58.591 0.000 1 167 488 39 GLN CB C 29.249 0.000 1 168 488 39 GLN N N 118.350 0.019 1 169 489 40 THR H H 8.229 0.006 1 170 489 40 THR C C 175.473 0.000 1 171 489 40 THR CA C 67.443 0.000 1 172 489 40 THR N N 117.108 0.015 1 173 490 41 VAL H H 8.095 0.007 1 174 490 41 VAL C C 177.874 0.000 1 175 490 41 VAL CA C 67.107 0.000 1 176 490 41 VAL CB C 31.658 0.000 1 177 490 41 VAL N N 120.701 0.014 1 178 491 42 ASN H H 7.611 0.004 1 179 491 42 ASN C C 177.931 0.000 1 180 491 42 ASN CA C 56.334 0.000 1 181 491 42 ASN CB C 38.373 0.000 1 182 491 42 ASN N N 118.309 0.033 1 183 492 43 VAL H H 8.263 0.004 1 184 492 43 VAL C C 178.575 0.000 1 185 492 43 VAL CA C 66.221 0.000 1 186 492 43 VAL CB C 31.745 0.000 1 187 492 43 VAL N N 121.489 0.009 1 188 493 44 LEU H H 8.463 0.003 1 189 493 44 LEU C C 178.036 0.000 1 190 493 44 LEU CA C 58.072 0.000 1 191 493 44 LEU CB C 41.713 0.000 1 192 493 44 LEU N N 120.274 0.027 1 193 494 45 ALA H H 8.185 0.003 1 194 494 45 ALA C C 181.006 0.000 1 195 494 45 ALA CA C 55.547 0.000 1 196 494 45 ALA CB C 17.998 0.000 1 197 494 45 ALA N N 119.907 0.011 1 198 495 46 GLN H H 7.549 0.003 1 199 495 46 GLN C C 179.020 0.000 1 200 495 46 GLN CA C 58.710 0.000 1 201 495 46 GLN CB C 28.393 0.000 1 202 495 46 GLN N N 117.445 0.014 1 203 496 47 ILE H H 8.152 0.003 1 204 496 47 ILE C C 178.061 0.000 1 205 496 47 ILE CA C 65.357 0.000 1 206 496 47 ILE CB C 38.204 0.000 1 207 496 47 ILE N N 121.615 0.011 1 208 497 48 LEU H H 8.793 0.003 1 209 497 48 LEU C C 179.467 0.000 1 210 497 48 LEU CA C 58.376 0.000 1 211 497 48 LEU CB C 40.900 0.000 1 212 497 48 LEU N N 119.228 0.008 1 213 498 49 LYS H H 7.556 0.003 1 214 498 49 LYS C C 178.803 0.000 1 215 498 49 LYS CA C 59.221 0.000 1 216 498 49 LYS CB C 32.320 0.000 1 217 498 49 LYS N N 118.664 0.089 1 218 499 50 ARG H H 7.408 0.003 1 219 499 50 ARG C C 178.448 0.000 1 220 499 50 ARG CA C 58.834 0.000 1 221 499 50 ARG CB C 30.426 0.000 1 222 499 50 ARG N N 118.151 0.015 1 223 500 51 LEU H H 8.208 0.004 1 224 500 51 LEU C C 176.444 0.000 1 225 500 51 LEU CA C 56.158 0.000 1 226 500 51 LEU CB C 43.716 0.000 1 227 500 51 LEU N N 117.084 0.019 1 228 501 52 ASN H H 7.822 0.004 1 229 501 52 ASN C C 171.371 0.000 1 230 501 52 ASN CA C 53.391 0.000 1 231 501 52 ASN CB C 37.964 0.000 1 232 501 52 ASN N N 112.618 0.014 1 233 502 53 PRO C C 176.642 0.000 1 234 502 53 PRO CA C 62.243 0.000 1 235 502 53 PRO CB C 32.561 0.000 1 236 503 54 GLU H H 8.378 0.004 1 237 503 54 GLU C C 175.900 0.000 1 238 503 54 GLU CA C 57.273 0.000 1 239 503 54 GLU CB C 30.294 0.000 1 240 503 54 GLU N N 120.172 0.005 1 241 504 55 ARG H H 8.424 0.004 1 242 504 55 ARG C C 175.963 0.000 1 243 504 55 ARG CA C 54.788 0.000 1 244 504 55 ARG CB C 31.995 0.000 1 245 504 55 ARG N N 123.065 0.016 1 246 505 56 LYS H H 8.914 0.003 1 247 505 56 LYS C C 174.813 0.000 1 248 505 56 LYS CA C 54.780 0.000 1 249 505 56 LYS CB C 36.237 0.000 1 250 505 56 LYS N N 123.772 0.023 1 251 506 57 MET H H 8.777 0.003 1 252 506 57 MET C C 176.042 0.000 1 253 506 57 MET CA C 54.320 0.000 1 254 506 57 MET CB C 31.097 0.000 1 255 506 57 MET N N 124.848 0.005 1 256 507 58 ILE H H 8.423 0.004 1 257 507 58 ILE C C 176.015 0.000 1 258 507 58 ILE CA C 61.194 0.000 1 259 507 58 ILE CB C 40.164 0.000 1 260 507 58 ILE N N 126.394 0.020 1 261 508 59 ASN H H 9.413 0.003 1 262 508 59 ASN C C 174.213 0.000 1 263 508 59 ASN CA C 54.845 0.000 1 264 508 59 ASN CB C 37.181 0.000 1 265 508 59 ASN N N 126.371 0.010 1 266 509 60 ASP H H 8.695 0.004 1 267 509 60 ASP C C 174.893 0.000 1 268 509 60 ASP CA C 56.147 0.000 1 269 509 60 ASP CB C 40.211 0.000 1 270 509 60 ASP N N 109.670 0.008 1 271 510 61 LYS H H 7.856 0.006 1 272 510 61 LYS C C 176.981 0.000 1 273 510 61 LYS CA C 54.740 0.000 1 274 510 61 LYS CB C 36.398 0.000 1 275 510 61 LYS N N 117.806 0.048 1 276 511 62 MET H H 9.129 0.000 1 277 511 62 MET C C 174.821 0.000 1 278 511 62 MET CA C 56.815 0.000 1 279 511 62 MET CB C 31.375 0.000 1 280 511 62 MET N N 128.502 0.000 1 281 512 63 HIS H H 9.346 0.004 1 282 512 63 HIS C C 173.261 0.000 1 283 512 63 HIS CA C 54.913 0.000 1 284 512 63 HIS CB C 32.126 0.000 1 285 512 63 HIS N N 126.593 0.023 1 286 513 64 PHE H H 9.045 0.004 1 287 513 64 PHE C C 175.555 0.000 1 288 513 64 PHE CA C 56.110 0.000 1 289 513 64 PHE CB C 42.452 0.000 1 290 513 64 PHE N N 120.302 0.017 1 291 514 65 SER H H 8.772 0.004 1 292 514 65 SER C C 171.946 0.000 1 293 514 65 SER CA C 57.781 0.000 1 294 514 65 SER CB C 65.870 0.000 1 295 514 65 SER N N 113.197 0.014 1 296 515 66 LEU H H 7.415 0.009 1 297 515 66 LEU C C 175.536 0.000 1 298 515 66 LEU CA C 53.331 0.000 1 299 515 66 LEU CB C 46.523 0.000 1 300 515 66 LEU N N 123.003 0.090 1 301 516 67 LYS H H 8.481 0.004 1 302 516 67 LYS C C 175.868 0.000 1 303 516 67 LYS CA C 56.455 0.000 1 304 516 67 LYS CB C 33.800 0.000 1 305 516 67 LYS N N 121.409 0.013 1 306 517 68 GLU H H 8.064 0.003 1 307 517 68 GLU C C 175.873 0.000 1 308 517 68 GLU CA C 58.032 0.000 1 309 517 68 GLU CB C 31.093 0.000 1 310 517 68 GLU N N 126.347 0.006 1 stop_ save_