data_27302 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone chemical shift assignments of A. thaliana RCD1(499-572) ; _BMRB_accession_number 27302 _BMRB_flat_file_name bmr27302.str _Entry_type original _Submission_date 2017-11-07 _Accession_date 2017-11-07 _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 Staby Lasse . . 2 Kragelund Birthe B. . 3 Bugge Katrine . . 4 Skriver Karen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 64 "13C chemical shifts" 199 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-25 update BMRB 'update entry citation' 2018-04-13 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 34151 'BMRB entry of of RCD1 499-572 in complex with DREB2A' stop_ _Original_release_date 2017-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Radical-induced Cell Death1 hub domain reveals a common aa-scaffold for disorder in transcriptional networks ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29657132 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bugge Katrine . . 2 Staby Lasse . . 3 Kemplen Katherine R. . 4 O'Shea Charlotte . . 5 Bendsen Sidsel K. . 6 Jensen Michael K. . 7 Olsen Johan G. . 8 Skriver Karen . . 9 Kragelund Birthe B. . stop_ _Journal_abbreviation Structure _Journal_volume 26 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 734 _Page_last 746 _Year 2018 _Details . loop_ _Keyword IDP NCBD NMR PAH RCD1 SAXS TAFH 'Transcription factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Radical-Induced Cell Death1 499-572' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Radical-Induced Cell Death1' $Radical-Induced_Cell_Death1 stop_ _System_molecular_weight 8661.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details RCD1(499-572) save_ ######################## # Monomeric polymers # ######################## save_Radical-Induced_Cell_Death1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Radical-Induced_Cell_Death1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; MSTTRPKSPWMPFPTLFAAI SHKVAENDMLLINADYQQLR DKKMTRAEFVRKLRVIVGDD LLRSTITTLQNQPKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 498 MET 2 499 SER 3 500 THR 4 501 THR 5 502 ARG 6 503 PRO 7 504 LYS 8 505 SER 9 506 PRO 10 507 TRP 11 508 MET 12 509 PRO 13 510 PHE 14 511 PRO 15 512 THR 16 513 LEU 17 514 PHE 18 515 ALA 19 516 ALA 20 517 ILE 21 518 SER 22 519 HIS 23 520 LYS 24 521 VAL 25 522 ALA 26 523 GLU 27 524 ASN 28 525 ASP 29 526 MET 30 527 LEU 31 528 LEU 32 529 ILE 33 530 ASN 34 531 ALA 35 532 ASP 36 533 TYR 37 534 GLN 38 535 GLN 39 536 LEU 40 537 ARG 41 538 ASP 42 539 LYS 43 540 LYS 44 541 MET 45 542 THR 46 543 ARG 47 544 ALA 48 545 GLU 49 546 PHE 50 547 VAL 51 548 ARG 52 549 LYS 53 550 LEU 54 551 ARG 55 552 VAL 56 553 ILE 57 554 VAL 58 555 GLY 59 556 ASP 60 557 ASP 61 558 LEU 62 559 LEU 63 560 ARG 64 561 SER 65 562 THR 66 563 ILE 67 564 THR 68 565 THR 69 566 LEU 70 567 GLN 71 568 ASN 72 569 GLN 73 570 PRO 74 571 LYS 75 572 SER 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 $Radical-Induced_Cell_Death1 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $Radical-Induced_Cell_Death1 'recombinant technology' . Escherichia coli . pET-11a 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 $Radical-Induced_Cell_Death1 250 uM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' DSS 0.7 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 8.9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_MddNMR _Saveframe_category software _Name MddNMR _Version 2.5 loop_ _Vendor _Address _Electronic_address 'Orekhov, Jaravine, Mayzel, Kazimierczuk' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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 pH 7.0 . 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_ _Software_label $CCPN_Analysis $TOPSPIN $NMRDraw $MddNMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' 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 'Radical-Induced Cell Death1' _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 1 501 4 THR C C 174.197 0.011 1 2 501 4 THR CA C 62.005 0.042 1 3 501 4 THR CB C 69.855 0.043 1 4 502 5 ARG H H 8.383 0.004 1 5 502 5 ARG C C 174.040 0.000 1 6 502 5 ARG CA C 54.025 0.031 1 7 502 5 ARG CB C 30.287 0.052 1 8 502 5 ARG N N 125.232 0.031 1 9 504 7 LYS H H 8.488 0.000 1 10 504 7 LYS C C 176.583 0.000 1 11 504 7 LYS CA C 56.427 0.000 1 12 504 7 LYS CB C 33.080 0.000 1 13 504 7 LYS N N 122.004 0.000 1 14 505 8 SER H H 8.355 0.004 1 15 505 8 SER C C 172.847 0.000 1 16 505 8 SER CA C 56.434 0.000 1 17 505 8 SER CB C 63.682 0.000 1 18 505 8 SER N N 118.183 0.099 1 19 506 9 PRO C C 176.285 0.044 1 20 506 9 PRO CA C 63.342 0.000 1 21 506 9 PRO CB C 31.918 0.000 1 22 507 10 TRP H H 8.091 0.002 1 23 507 10 TRP HE1 H 10.127 0.000 1 24 507 10 TRP C C 175.583 0.000 1 25 507 10 TRP CA C 57.166 0.081 1 26 507 10 TRP CB C 29.807 0.038 1 27 507 10 TRP N N 120.947 0.028 1 28 507 10 TRP NE1 N 129.586 0.012 1 29 508 11 MET H H 7.796 0.004 1 30 508 11 MET C C 172.536 0.000 1 31 508 11 MET CA C 57.035 0.000 1 32 508 11 MET N N 123.265 0.061 1 33 512 15 THR C C 176.056 0.000 1 34 512 15 THR CA C 65.383 0.076 1 35 512 15 THR CB C 68.588 0.000 1 36 513 16 LEU H H 7.494 0.004 1 37 513 16 LEU C C 178.249 0.011 1 38 513 16 LEU CA C 58.155 0.111 1 39 513 16 LEU CB C 41.805 0.033 1 40 513 16 LEU N N 123.910 0.091 1 41 514 17 PHE H H 8.477 0.004 1 42 514 17 PHE C C 177.892 0.000 1 43 514 17 PHE N N 116.963 0.016 1 44 515 18 ALA H H 7.735 0.004 1 45 515 18 ALA C C 179.711 0.001 1 46 515 18 ALA CA C 54.975 0.055 1 47 515 18 ALA CB C 18.085 0.044 1 48 515 18 ALA N N 120.542 0.062 1 49 516 19 ALA H H 7.608 0.005 1 50 516 19 ALA C C 179.927 0.013 1 51 516 19 ALA CA C 54.427 0.094 1 52 516 19 ALA CB C 19.315 0.091 1 53 516 19 ALA N N 119.056 0.060 1 54 517 20 ILE H H 7.936 0.001 1 55 517 20 ILE C C 177.747 0.002 1 56 517 20 ILE CA C 62.575 0.014 1 57 517 20 ILE CB C 39.153 0.054 1 58 517 20 ILE N N 110.887 0.039 1 59 518 21 SER H H 7.913 0.002 1 60 518 21 SER C C 174.786 0.000 1 61 518 21 SER CA C 62.037 0.088 1 62 518 21 SER CB C 63.073 0.063 1 63 518 21 SER N N 117.291 0.037 1 64 519 22 HIS CA C 57.225 0.077 1 65 519 22 HIS CB C 29.929 0.037 1 66 520 23 LYS H H 7.902 0.004 1 67 520 23 LYS C C 175.582 0.006 1 68 520 23 LYS CA C 55.601 0.049 1 69 520 23 LYS CB C 34.675 0.089 1 70 520 23 LYS N N 118.337 0.062 1 71 521 24 VAL H H 7.253 0.005 1 72 521 24 VAL C C 174.821 0.021 1 73 521 24 VAL CA C 60.456 0.078 1 74 521 24 VAL CB C 34.180 0.027 1 75 521 24 VAL N N 116.713 0.046 1 76 522 25 ALA H H 8.936 0.004 1 77 522 25 ALA C C 178.973 0.001 1 78 522 25 ALA CA C 52.193 0.037 1 79 522 25 ALA CB C 19.373 0.076 1 80 522 25 ALA N N 127.528 0.032 1 81 523 26 GLU H H 8.985 0.002 1 82 523 26 GLU C C 179.026 0.000 1 83 523 26 GLU CA C 60.501 0.119 1 84 523 26 GLU CB C 29.645 0.002 1 85 523 26 GLU N N 122.990 0.046 1 86 524 27 ASN H H 8.949 0.004 1 87 524 27 ASN C C 177.598 0.021 1 88 524 27 ASN CA C 56.463 0.133 1 89 524 27 ASN CB C 37.731 0.067 1 90 524 27 ASN N N 115.139 0.015 1 91 525 28 ASP H H 7.071 0.004 1 92 525 28 ASP C C 178.183 0.006 1 93 525 28 ASP CA C 57.174 0.070 1 94 525 28 ASP CB C 40.626 0.048 1 95 525 28 ASP N N 119.850 0.030 1 96 526 29 MET H H 7.976 0.006 1 97 526 29 MET C C 178.981 0.005 1 98 526 29 MET CA C 56.580 0.053 1 99 526 29 MET CB C 30.432 0.065 1 100 526 29 MET N N 119.656 0.034 1 101 527 30 LEU H H 7.808 0.005 1 102 527 30 LEU C C 180.562 0.026 1 103 527 30 LEU CA C 58.323 0.052 1 104 527 30 LEU CB C 41.591 0.046 1 105 527 30 LEU N N 119.199 0.044 1 106 528 31 LEU H H 7.356 0.003 1 107 528 31 LEU C C 179.422 0.021 1 108 528 31 LEU CA C 58.049 0.093 1 109 528 31 LEU CB C 41.622 0.032 1 110 528 31 LEU N N 120.906 0.017 1 111 529 32 ILE H H 8.087 0.003 1 112 529 32 ILE C C 178.353 0.006 1 113 529 32 ILE CA C 65.203 0.055 1 114 529 32 ILE CB C 38.376 0.037 1 115 529 32 ILE N N 120.652 0.038 1 116 530 33 ASN H H 8.525 0.004 1 117 530 33 ASN C C 178.043 0.033 1 118 530 33 ASN CA C 56.503 0.097 1 119 530 33 ASN CB C 38.663 0.062 1 120 530 33 ASN N N 117.753 0.045 1 121 531 34 ALA H H 7.916 0.003 1 122 531 34 ALA C C 181.026 0.005 1 123 531 34 ALA CA C 55.367 0.062 1 124 531 34 ALA CB C 18.027 0.070 1 125 531 34 ALA N N 123.472 0.051 1 126 532 35 ASP H H 8.193 0.005 1 127 532 35 ASP C C 177.984 0.015 1 128 532 35 ASP CA C 57.729 0.122 1 129 532 35 ASP CB C 39.535 0.081 1 130 532 35 ASP N N 121.263 0.035 1 131 533 36 TYR H H 9.240 0.004 1 132 533 36 TYR C C 177.465 0.016 1 133 533 36 TYR CA C 60.749 0.056 1 134 533 36 TYR CB C 37.959 0.026 1 135 533 36 TYR N N 122.106 0.033 1 136 534 37 GLN H H 8.073 0.004 1 137 534 37 GLN C C 178.092 0.013 1 138 534 37 GLN CA C 58.685 0.030 1 139 534 37 GLN CB C 27.709 0.096 1 140 534 37 GLN N N 118.276 0.023 1 141 535 38 GLN H H 7.413 0.004 1 142 535 38 GLN C C 178.686 0.018 1 143 535 38 GLN CA C 59.488 0.073 1 144 535 38 GLN CB C 28.965 0.084 1 145 535 38 GLN N N 116.902 0.037 1 146 536 39 LEU H H 8.109 0.005 1 147 536 39 LEU C C 180.845 0.017 1 148 536 39 LEU CA C 58.370 0.014 1 149 536 39 LEU CB C 41.240 0.043 1 150 536 39 LEU N N 122.728 0.045 1 151 537 40 ARG H H 8.369 0.004 1 152 537 40 ARG C C 177.804 0.022 1 153 537 40 ARG CA C 59.332 0.053 1 154 537 40 ARG CB C 29.410 0.031 1 155 537 40 ARG N N 122.031 0.041 1 156 538 41 ASP H H 7.749 0.003 1 157 538 41 ASP C C 174.931 0.008 1 158 538 41 ASP CA C 54.586 0.073 1 159 538 41 ASP CB C 40.930 0.069 1 160 538 41 ASP N N 117.593 0.048 1 161 539 42 LYS H H 8.112 0.004 1 162 539 42 LYS C C 176.467 0.011 1 163 539 42 LYS CA C 57.762 0.100 1 164 539 42 LYS CB C 28.473 0.005 1 165 539 42 LYS N N 114.200 0.040 1 166 540 43 LYS H H 8.555 0.003 1 167 540 43 LYS C C 175.694 0.000 1 168 540 43 LYS CA C 55.972 0.121 1 169 540 43 LYS CB C 33.433 0.051 1 170 540 43 LYS N N 116.802 0.046 1 171 541 44 MET H H 7.323 0.005 1 172 541 44 MET C C 174.569 0.029 1 173 541 44 MET CA C 54.397 0.049 1 174 541 44 MET CB C 37.376 0.065 1 175 541 44 MET N N 117.510 0.028 1 176 542 45 THR H H 8.676 0.003 1 177 542 45 THR C C 175.590 0.010 1 178 542 45 THR CA C 60.907 0.057 1 179 542 45 THR CB C 71.317 0.045 1 180 542 45 THR N N 113.812 0.032 1 181 543 46 ARG H H 9.058 0.003 1 182 543 46 ARG C C 177.844 0.024 1 183 543 46 ARG CA C 60.741 0.010 1 184 543 46 ARG CB C 29.885 0.000 1 185 543 46 ARG N N 122.362 0.028 1 186 544 47 ALA H H 8.473 0.002 1 187 544 47 ALA C C 180.943 0.013 1 188 544 47 ALA CA C 55.229 0.053 1 189 544 47 ALA CB C 18.319 0.046 1 190 544 47 ALA N N 119.277 0.056 1 191 545 48 GLU H H 7.846 0.003 1 192 545 48 GLU C C 177.959 0.018 1 193 545 48 GLU CA C 58.727 0.059 1 194 545 48 GLU CB C 29.706 0.046 1 195 545 48 GLU N N 119.841 0.020 1 196 546 49 PHE H H 8.421 0.003 1 197 546 49 PHE C C 176.755 0.019 1 198 546 49 PHE CA C 62.587 0.055 1 199 546 49 PHE CB C 39.852 0.033 1 200 546 49 PHE N N 120.928 0.041 1 201 547 50 VAL H H 8.675 0.005 1 202 547 50 VAL C C 177.289 0.006 1 203 547 50 VAL CA C 67.106 0.070 1 204 547 50 VAL CB C 31.656 0.076 1 205 547 50 VAL N N 118.122 0.061 1 206 548 51 ARG H H 7.709 0.004 1 207 548 51 ARG C C 179.218 0.020 1 208 548 51 ARG CA C 60.210 0.064 1 209 548 51 ARG CB C 30.126 0.065 1 210 548 51 ARG N N 119.825 0.018 1 211 549 52 LYS H H 7.909 0.003 1 212 549 52 LYS C C 178.985 0.001 1 213 549 52 LYS CA C 59.696 0.004 1 214 549 52 LYS CB C 32.091 0.075 1 215 549 52 LYS N N 119.034 0.037 1 216 550 53 LEU H H 8.394 0.002 1 217 550 53 LEU C C 178.780 0.011 1 218 550 53 LEU CA C 57.828 0.034 1 219 550 53 LEU CB C 42.225 0.049 1 220 550 53 LEU N N 121.555 0.027 1 221 551 54 ARG H H 8.243 0.003 1 222 551 54 ARG C C 179.107 0.012 1 223 551 54 ARG CA C 59.947 0.080 1 224 551 54 ARG CB C 30.436 0.080 1 225 551 54 ARG N N 117.629 0.031 1 226 552 55 VAL H H 7.424 0.005 1 227 552 55 VAL C C 177.686 0.022 1 228 552 55 VAL CA C 66.044 0.003 1 229 552 55 VAL CB C 31.931 0.040 1 230 552 55 VAL N N 118.445 0.033 1 231 553 56 ILE H H 7.591 0.005 1 232 553 56 ILE C C 177.680 0.000 1 233 553 56 ILE CA C 64.687 0.018 1 234 553 56 ILE CB C 39.236 0.018 1 235 553 56 ILE N N 118.693 0.089 1 236 554 57 VAL H H 8.411 0.003 1 237 554 57 VAL C C 176.566 0.015 1 238 554 57 VAL CA C 63.364 0.076 1 239 554 57 VAL CB C 32.950 0.066 1 240 554 57 VAL N N 113.477 0.042 1 241 555 58 GLY H H 7.652 0.004 1 242 555 58 GLY C C 173.718 0.003 1 243 555 58 GLY CA C 44.590 0.044 1 244 555 58 GLY N N 109.642 0.022 1 245 556 59 ASP H H 8.369 0.003 1 246 556 59 ASP C C 178.206 0.012 1 247 556 59 ASP CA C 57.837 0.006 1 248 556 59 ASP CB C 41.621 0.033 1 249 556 59 ASP N N 120.638 0.033 1 250 557 60 ASP H H 8.494 0.002 1 251 557 60 ASP C C 178.745 0.010 1 252 557 60 ASP CA C 57.842 0.069 1 253 557 60 ASP CB C 40.331 0.021 1 254 557 60 ASP N N 118.588 0.024 1 255 558 61 LEU H H 8.402 0.002 1 256 558 61 LEU C C 180.053 0.016 1 257 558 61 LEU CA C 57.040 0.052 1 258 558 61 LEU CB C 41.329 0.108 1 259 558 61 LEU N N 121.513 0.015 1 260 559 62 LEU H H 7.917 0.004 1 261 559 62 LEU C C 177.911 0.027 1 262 559 62 LEU CA C 58.268 0.066 1 263 559 62 LEU CB C 41.886 0.039 1 264 559 62 LEU N N 121.352 0.047 1 265 560 63 ARG H H 8.397 0.006 1 266 560 63 ARG C C 179.187 0.014 1 267 560 63 ARG CA C 59.739 0.096 1 268 560 63 ARG CB C 30.114 0.088 1 269 560 63 ARG N N 118.316 0.067 1 270 561 64 SER H H 8.274 0.004 1 271 561 64 SER C C 176.477 0.000 1 272 561 64 SER CA C 61.094 0.086 1 273 561 64 SER CB C 62.962 0.056 1 274 561 64 SER N N 114.195 0.082 1 275 562 65 THR H H 7.976 0.008 1 276 562 65 THR C C 175.686 0.000 1 277 562 65 THR CA C 66.434 0.035 1 278 562 65 THR CB C 68.783 0.045 1 279 562 65 THR N N 118.358 0.028 1 280 563 66 ILE H H 8.249 0.004 1 281 563 66 ILE C C 177.415 0.017 1 282 563 66 ILE CA C 64.956 0.132 1 283 563 66 ILE CB C 37.835 0.095 1 284 563 66 ILE N N 121.583 0.052 1 285 564 67 THR H H 8.026 0.003 1 286 564 67 THR C C 176.237 0.000 1 287 564 67 THR CA C 65.801 0.079 1 288 564 67 THR CB C 68.967 0.055 1 289 564 67 THR N N 115.216 0.022 1 290 565 68 THR H H 7.861 0.003 1 291 565 68 THR C C 176.093 0.000 1 292 565 68 THR CA C 65.190 0.177 1 293 565 68 THR CB C 69.165 0.018 1 294 565 68 THR N N 116.471 0.032 1 295 566 69 LEU H H 7.963 0.004 1 296 566 69 LEU C C 178.483 0.036 1 297 566 69 LEU CA C 56.771 0.089 1 298 566 69 LEU CB C 42.171 0.043 1 299 566 69 LEU N N 121.788 0.037 1 300 567 70 GLN H H 8.118 0.004 1 301 567 70 GLN C C 176.243 0.002 1 302 567 70 GLN CA C 56.988 0.112 1 303 567 70 GLN CB C 29.255 0.148 1 304 567 70 GLN N N 117.985 0.039 1 305 568 71 ASN H H 7.933 0.003 1 306 568 71 ASN C C 174.819 0.011 1 307 568 71 ASN CA C 53.287 0.092 1 308 568 71 ASN CB C 39.089 0.027 1 309 568 71 ASN N N 117.852 0.060 1 310 569 72 GLN H H 7.977 0.004 1 311 569 72 GLN C C 173.851 0.000 1 312 569 72 GLN CA C 54.057 0.048 1 313 569 72 GLN CB C 28.812 0.075 1 314 569 72 GLN N N 121.274 0.020 1 315 570 73 PRO C C 176.817 0.034 1 316 570 73 PRO CA C 63.190 0.057 1 317 570 73 PRO CB C 32.173 0.074 1 318 571 74 LYS H H 8.486 0.002 1 319 571 74 LYS C C 175.940 0.011 1 320 571 74 LYS CA C 56.410 0.096 1 321 571 74 LYS CB C 33.177 0.105 1 322 571 74 LYS N N 122.229 0.035 1 323 572 75 SER H H 7.969 0.003 1 324 572 75 SER C C 178.648 0.000 1 325 572 75 SER CA C 59.929 0.027 1 326 572 75 SER CB C 64.918 0.066 1 327 572 75 SER N N 122.720 0.016 1 stop_ save_