data_27988 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for C-terminal tail of human CRY1 ; _BMRB_accession_number 27988 _BMRB_flat_file_name bmr27988.str _Entry_type original _Submission_date 2019-07-24 _Accession_date 2019-07-24 _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 Lee Hsiau-Wei . . 2 Parico 'Gian Carlo' G. . 3 Partch Carrie L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 87 "13C chemical shifts" 260 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-15 original BMRB . stop_ _Original_release_date 2019-07-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The CRY1 tail controls circadian timing by regulating its association with CLOCK:BMAL1 ; _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 Parico 'Gian Carlo' G. . 2 Lee Hsiau-Wei . . 3 Partch Carrie L. . 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 CRY1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CRY1 $CRY1 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CRY1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CRY1 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; gamdpefGLGLLASVPSNPN GNGGFMGYSAENIPGCSSSG SCSQGSGILHYAHGDSQQTH LLKQGRSSMGTGLSGGKRPS QEEDTQSIGPKVQRQSTN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 489 GLY 2 490 ALA 3 491 MET 4 492 ASP 5 493 PRO 6 494 GLU 7 495 PHE 8 496 GLY 9 497 LEU 10 498 GLY 11 499 LEU 12 500 LEU 13 501 ALA 14 502 SER 15 503 VAL 16 504 PRO 17 505 SER 18 506 ASN 19 507 PRO 20 508 ASN 21 509 GLY 22 510 ASN 23 511 GLY 24 512 GLY 25 513 PHE 26 514 MET 27 515 GLY 28 516 TYR 29 517 SER 30 518 ALA 31 519 GLU 32 520 ASN 33 521 ILE 34 522 PRO 35 523 GLY 36 524 CYS 37 525 SER 38 526 SER 39 527 SER 40 528 GLY 41 529 SER 42 530 CYS 43 531 SER 44 532 GLN 45 533 GLY 46 534 SER 47 535 GLY 48 536 ILE 49 537 LEU 50 538 HIS 51 539 TYR 52 540 ALA 53 541 HIS 54 542 GLY 55 543 ASP 56 544 SER 57 545 GLN 58 546 GLN 59 547 THR 60 548 HIS 61 549 LEU 62 550 LEU 63 551 LYS 64 552 GLN 65 553 GLY 66 554 ARG 67 555 SER 68 556 SER 69 557 MET 70 558 GLY 71 559 THR 72 560 GLY 73 561 LEU 74 562 SER 75 563 GLY 76 564 GLY 77 565 LYS 78 566 ARG 79 567 PRO 80 568 SER 81 569 GLN 82 570 GLU 83 571 GLU 84 572 ASP 85 573 THR 86 574 GLN 87 575 SER 88 576 ILE 89 577 GLY 90 578 PRO 91 579 LYS 92 580 VAL 93 581 GLN 94 582 ARG 95 583 GLN 96 584 SER 97 585 THR 98 586 ASN 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 $CRY1 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 $CRY1 'recombinant technology' . Escherichia coli . pET22b 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 $CRY1 120 uM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' TCEP 4 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CccpNMR _Saveframe_category software _Name CccpNMR _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_CON_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_(HACA)N(CA)CON_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HACA)N(CA)CON' _Sample_label $sample_1 save_ save_3D_(HACA)N(CA)NCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HACA)N(CA)NCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _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' 100 . mM pH 6.8 . 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 carbon' ppm 0 internal indirect . . . . DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D CON' '3D HNCACB' '3D HNCO' '3D (HACA)N(CA)CON' '3D (HACA)N(CA)NCO' 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 CRY1 _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 1 489 1 GLY C C 170.376 . . 2 489 1 GLY CA C 43.308 . . 3 490 2 ALA H H 8.618 . . 4 490 2 ALA C C 177.773 . . 5 490 2 ALA CA C 53.177 . . 6 490 2 ALA CB C 19.376 . . 7 490 2 ALA N N 123.428 . . 8 491 3 MET H H 8.458 . . 9 491 3 MET C C 175.665 . . 10 491 3 MET CA C 55.054 . . 11 491 3 MET CB C 32.656 . . 12 491 3 MET N N 118.039 . . 13 492 4 ASP H H 8.147 . . 14 492 4 ASP C C 174.674 . . 15 492 4 ASP CA C 52.740 . . 16 492 4 ASP CB C 40.927 . . 17 492 4 ASP N N 123.006 . . 18 493 5 PRO C C 177.115 . . 19 493 5 PRO CA C 63.635 . . 20 493 5 PRO CB C 32.127 . . 21 493 5 PRO N N 136.835 . . 22 494 6 GLU H H 8.511 . . 23 494 6 GLU C C 176.546 . . 24 494 6 GLU CA C 56.898 . . 25 494 6 GLU CB C 29.973 . . 26 494 6 GLU N N 119.762 . . 27 495 7 PHE H H 8.092 . . 28 495 7 PHE C C 176.499 . . 29 495 7 PHE CA C 58.292 . . 30 495 7 PHE CB C 39.602 . . 31 495 7 PHE N N 120.321 . . 32 496 8 GLY H H 8.254 . . 33 496 8 GLY C C 174.272 . . 34 496 8 GLY CA C 45.630 . . 35 496 8 GLY N N 110.067 . . 36 497 9 LEU H H 8.045 . . 37 497 9 LEU C C 178.107 . . 38 497 9 LEU CA C 55.555 . . 39 497 9 LEU CB C 42.361 . . 40 497 9 LEU N N 121.310 . . 41 498 10 GLY H H 8.403 . . 42 498 10 GLY C C 174.368 . . 43 498 10 GLY CA C 45.623 . . 44 498 10 GLY N N 109.067 . . 45 499 11 LEU H H 7.997 . . 46 499 11 LEU C C 177.544 . . 47 499 11 LEU CA C 55.457 . . 48 499 11 LEU CB C 42.329 . . 49 499 11 LEU N N 121.402 . . 50 500 12 LEU H H 8.130 . . 51 500 12 LEU C C 177.020 . . 52 500 12 LEU CA C 55.135 . . 53 500 12 LEU CB C 42.258 . . 54 500 12 LEU N N 121.986 . . 55 501 13 ALA H H 8.091 . . 56 501 13 ALA C C 177.496 . . 57 501 13 ALA CA C 52.511 . . 58 501 13 ALA CB C 19.455 . . 59 501 13 ALA N N 124.079 . . 60 502 14 SER H H 8.141 . . 61 502 14 SER C C 174.037 . . 62 502 14 SER CA C 58.131 . . 63 502 14 SER CB C 63.837 . . 64 502 14 SER N N 114.717 . . 65 503 15 VAL H H 8.069 . . 66 503 15 VAL C C 174.464 . . 67 503 15 VAL CA C 59.846 . . 68 503 15 VAL CB C 32.761 . . 69 503 15 VAL N N 122.801 . . 70 504 16 PRO C C 176.768 . . 71 504 16 PRO CA C 63.107 . . 72 504 16 PRO CB C 32.210 . . 73 504 16 PRO N N 139.467 . . 74 505 17 SER H H 8.334 . . 75 505 17 SER C C 173.929 . . 76 505 17 SER CA C 58.377 . . 77 505 17 SER CB C 63.844 . . 78 505 17 SER N N 115.887 . . 79 506 18 ASN H H 8.433 . . 80 506 18 ASN C C 173.783 . . 81 506 18 ASN CA C 51.278 . . 82 506 18 ASN CB C 39.098 . . 83 506 18 ASN N N 120.983 . . 84 507 19 PRO C C 176.912 . . 85 507 19 PRO CA C 63.880 . . 86 507 19 PRO CB C 32.092 . . 87 507 19 PRO N N 137.337 . . 88 508 20 ASN H H 8.387 . . 89 508 20 ASN C C 175.765 . . 90 508 20 ASN CA C 53.332 . . 91 508 20 ASN CB C 38.979 . . 92 508 20 ASN N N 117.246 . . 93 509 21 GLY H H 8.125 . . 94 509 21 GLY C C 174.018 . . 95 509 21 GLY CA C 45.694 . . 96 509 21 GLY N N 108.762 . . 97 510 22 ASN H H 8.364 . . 98 510 22 ASN C C 175.921 . . 99 510 22 ASN CA C 53.267 . . 100 510 22 ASN CB C 39.069 . . 101 510 22 ASN N N 118.628 . . 102 511 23 GLY H H 8.464 . . 103 511 23 GLY C C 174.559 . . 104 511 23 GLY CA C 45.655 . . 105 511 23 GLY N N 109.375 . . 106 512 24 GLY H H 8.194 . . 107 512 24 GLY C C 173.819 . . 108 512 24 GLY CA C 45.218 . . 109 512 24 GLY N N 108.357 . . 110 513 25 PHE H H 8.140 . . 111 513 25 PHE C C 175.861 . . 112 513 25 PHE CA C 57.950 . . 113 513 25 PHE CB C 39.620 . . 114 513 25 PHE N N 120.264 . . 115 514 26 MET H H 8.372 . . 116 514 26 MET C C 176.142 . . 117 514 26 MET CA C 55.387 . . 118 514 26 MET CB C 32.683 . . 119 514 26 MET N N 122.791 . . 120 515 27 GLY H H 7.562 . . 121 515 27 GLY C C 173.467 . . 122 515 27 GLY CA C 45.233 . . 123 515 27 GLY N N 108.619 . . 124 516 28 TYR H H 8.015 . . 125 516 28 TYR C C 175.735 . . 126 516 28 TYR CA C 57.907 . . 127 516 28 TYR CB C 39.137 . . 128 516 28 TYR N N 119.871 . . 129 517 29 SER H H 8.247 . . 130 517 29 SER C C 174.019 . . 131 517 29 SER CA C 57.847 . . 132 517 29 SER CB C 64.080 . . 133 517 29 SER N N 117.933 . . 134 518 30 ALA H H 8.338 . . 135 518 30 ALA C C 177.591 . . 136 518 30 ALA CA C 52.844 . . 137 518 30 ALA CB C 19.334 . . 138 518 30 ALA N N 126.191 . . 139 519 31 GLU H H 8.291 . . 140 519 31 GLU C C 176.085 . . 141 519 31 GLU CA C 56.733 . . 142 519 31 GLU CB C 30.358 . . 143 519 31 GLU N N 118.408 . . 144 520 32 ASN H H 8.294 . . 145 520 32 ASN C C 174.453 . . 146 520 32 ASN CA C 53.184 . . 147 520 32 ASN CB C 38.997 . . 148 520 32 ASN N N 119.144 . . 149 521 33 ILE H H 8.019 . . 150 521 33 ILE C C 174.478 . . 151 521 33 ILE CA C 58.803 . . 152 521 33 ILE CB C 38.855 . . 153 521 33 ILE N N 122.696 . . 154 522 34 PRO C C 177.531 . . 155 522 34 PRO CA C 63.668 . . 156 522 34 PRO CB C 32.103 . . 157 522 34 PRO N N 140.090 . . 158 523 35 GLY H H 8.502 . . 159 523 35 GLY C C 174.308 . . 160 523 35 GLY CA C 45.419 . . 161 523 35 GLY N N 109.621 . . 162 524 36 CYS H H 8.165 . . 163 524 36 CYS C C 174.771 . . 164 524 36 CYS CA C 58.502 . . 165 524 36 CYS CB C 28.332 . . 166 524 36 CYS N N 118.636 . . 167 525 37 SER H H 8.522 . . 168 525 37 SER C C 174.693 . . 169 525 37 SER CA C 58.499 . . 170 525 37 SER CB C 63.883 . . 171 525 37 SER N N 118.478 . . 172 526 38 SER C C 174.719 . . 173 526 38 SER CA C 58.490 . . 174 526 38 SER CB C 63.816 . . 175 527 39 SER H H 8.373 . . 176 527 39 SER C C 175.063 . . 177 527 39 SER CA C 58.593 . . 178 527 39 SER CB C 63.831 . . 179 527 39 SER N N 117.608 . . 180 528 40 GLY H H 8.395 . . 181 528 40 GLY C C 174.262 . . 182 528 40 GLY CA C 45.465 . . 183 528 40 GLY N N 110.728 . . 184 529 41 SER H H 8.232 . . 185 529 41 SER C C 174.625 . . 186 529 41 SER N N 115.529 . . 187 530 42 CYS H H 8.444 . . 188 530 42 CYS C C 174.703 . . 189 530 42 CYS CB C 28.099 . . 190 530 42 CYS N N 120.857 . . 191 531 43 SER H H 8.417 . . 192 531 43 SER C C 174.648 . . 193 531 43 SER N N 117.907 . . 194 532 44 GLN C C 176.420 . . 195 532 44 GLN N N 122.051 . . 196 533 45 GLY C C 174.191 . . 197 533 45 GLY CA C 45.424 . . 198 533 45 GLY N N 109.898 . . 199 534 46 SER H H 8.269 . . 200 534 46 SER C C 175.096 . . 201 534 46 SER N N 115.510 . . 202 535 47 GLY H H 8.481 . . 203 535 47 GLY C C 173.961 . . 204 535 47 GLY CA C 45.475 . . 205 535 47 GLY N N 110.879 . . 206 536 48 ILE H H 7.880 . . 207 536 48 ILE C C 176.005 . . 208 536 48 ILE CA C 61.168 . . 209 536 48 ILE CB C 38.710 . . 210 536 48 ILE N N 119.682 . . 211 537 49 LEU H H 8.183 . . 212 537 49 LEU C C 176.627 . . 213 537 49 LEU CA C 55.048 . . 214 537 49 LEU CB C 42.337 . . 215 537 49 LEU N N 125.576 . . 216 538 50 HIS H H 8.237 . . 217 538 50 HIS C C 174.283 . . 218 538 50 HIS CA C 55.503 . . 219 538 50 HIS CB C 30.158 . . 220 538 50 HIS N N 119.690 . . 221 539 51 TYR H H 8.088 . . 222 539 51 TYR C C 175.266 . . 223 539 51 TYR CA C 57.627 . . 224 539 51 TYR CB C 39.048 . . 225 539 51 TYR N N 121.462 . . 226 540 52 ALA H H 8.325 . . 227 540 52 ALA C C 177.135 . . 228 540 52 ALA CA C 52.388 . . 229 540 52 ALA CB C 19.444 . . 230 540 52 ALA N N 125.740 . . 231 541 53 HIS H H 8.241 . . 232 541 53 HIS C C 175.537 . . 233 541 53 HIS CA C 55.955 . . 234 541 53 HIS CB C 29.952 . . 235 541 53 HIS N N 117.994 . . 236 542 54 GLY H H 8.354 . . 237 542 54 GLY C C 173.842 . . 238 542 54 GLY CA C 45.438 . . 239 542 54 GLY N N 110.062 . . 240 543 55 ASP H H 8.321 . . 241 543 55 ASP C C 176.694 . . 242 543 55 ASP CA C 54.341 . . 243 543 55 ASP CB C 41.463 . . 244 543 55 ASP N N 120.706 . . 245 544 56 SER H H 8.375 . . 246 544 56 SER C C 174.944 . . 247 544 56 SER N N 116.402 . . 248 545 57 GLN H H 8.465 . . 249 545 57 GLN C C 176.342 . . 250 545 57 GLN CA C 56.455 . . 251 545 57 GLN N N 121.432 . . 252 546 58 GLN H H 8.309 . . 253 546 58 GLN C C 176.550 . . 254 546 58 GLN CA C 56.418 . . 255 546 58 GLN CB C 29.206 . . 256 546 58 GLN N N 120.004 . . 257 547 59 THR H H 8.102 . . 258 547 59 THR C C 174.766 . . 259 547 59 THR CA C 62.887 . . 260 547 59 THR CB C 69.492 . . 261 547 59 THR N N 114.584 . . 262 548 60 HIS C C 175.233 . . 263 548 60 HIS CA C 56.479 . . 264 548 60 HIS CB C 29.963 . . 265 548 60 HIS N N 120.905 . . 266 549 61 LEU H H 8.016 . . 267 549 61 LEU C C 177.440 . . 268 549 61 LEU CA C 55.581 . . 269 549 61 LEU CB C 42.267 . . 270 549 61 LEU N N 122.182 . . 271 550 62 LEU H H 8.127 . . 272 550 62 LEU C C 177.511 . . 273 550 62 LEU CA C 55.375 . . 274 550 62 LEU CB C 42.292 . . 275 550 62 LEU N N 122.006 . . 276 551 63 LYS H H 8.208 . . 277 551 63 LYS C C 176.599 . . 278 551 63 LYS CA C 56.551 . . 279 551 63 LYS CB C 32.878 . . 280 551 63 LYS N N 121.609 . . 281 552 64 GLN H H 8.306 . . 282 552 64 GLN C C 176.429 . . 283 552 64 GLN CA C 56.087 . . 284 552 64 GLN CB C 29.552 . . 285 552 64 GLN N N 120.746 . . 286 553 65 GLY H H 8.404 . . 287 553 65 GLY C C 174.108 . . 288 553 65 GLY CA C 45.395 . . 289 553 65 GLY N N 109.886 . . 290 554 66 ARG H H 8.229 . . 291 554 66 ARG C C 176.569 . . 292 554 66 ARG CA C 56.184 . . 293 554 66 ARG CB C 31.027 . . 294 554 66 ARG N N 120.486 . . 295 555 67 SER H H 8.440 . . 296 555 67 SER C C 174.700 . . 297 555 67 SER CA C 61.059 . . 298 555 67 SER N N 116.846 . . 299 556 68 SER H H 8.406 . . 300 556 68 SER C C 174.587 . . 301 556 68 SER CA C 58.490 . . 302 556 68 SER CB C 63.800 . . 303 556 68 SER N N 117.903 . . 304 557 69 MET H H 8.356 . . 305 557 69 MET C C 176.702 . . 306 557 69 MET CA C 55.877 . . 307 557 69 MET CB C 32.943 . . 308 557 69 MET N N 121.801 . . 309 558 70 GLY H H 8.398 . . 310 558 70 GLY C C 174.385 . . 311 558 70 GLY CA C 45.447 . . 312 558 70 GLY N N 109.752 . . 313 559 71 THR H H 8.129 . . 314 559 71 THR C C 175.355 . . 315 559 71 THR CA C 61.927 . . 316 559 71 THR CB C 69.846 . . 317 559 71 THR N N 112.844 . . 318 560 72 GLY H H 8.506 . . 319 560 72 GLY C C 174.282 . . 320 560 72 GLY CA C 45.487 . . 321 560 72 GLY N N 111.026 . . 322 561 73 LEU H H 8.174 . . 323 561 73 LEU C C 177.772 . . 324 561 73 LEU CA C 55.284 . . 325 561 73 LEU CB C 42.456 . . 326 561 73 LEU N N 121.592 . . 327 562 74 SER H H 8.379 . . 328 562 74 SER C C 175.155 . . 329 562 74 SER CA C 58.644 . . 330 562 74 SER CB C 63.838 . . 331 562 74 SER N N 116.347 . . 332 563 75 GLY H H 8.484 . . 333 563 75 GLY C C 174.669 . . 334 563 75 GLY CA C 45.478 . . 335 563 75 GLY N N 110.889 . . 336 564 76 GLY H H 8.243 . . 337 564 76 GLY C C 173.841 . . 338 564 76 GLY CA C 45.199 . . 339 564 76 GLY N N 108.462 . . 340 565 77 LYS H H 8.127 . . 341 565 77 LYS C C 176.359 . . 342 565 77 LYS CA C 56.082 . . 343 565 77 LYS CB C 33.337 . . 344 565 77 LYS N N 120.689 . . 345 566 78 ARG H H 8.460 . . 346 566 78 ARG C C 174.328 . . 347 566 78 ARG CA C 53.975 . . 348 566 78 ARG CB C 30.226 . . 349 566 78 ARG N N 124.074 . . 350 567 79 PRO C C 176.945 . . 351 567 79 PRO CA C 63.246 . . 352 567 79 PRO CB C 32.180 . . 353 567 79 PRO N N 137.165 . . 354 568 80 SER H H 8.449 . . 355 568 80 SER C C 174.646 . . 356 568 80 SER CA C 58.638 . . 357 568 80 SER CB C 63.752 . . 358 568 80 SER N N 116.307 . . 359 569 81 GLN H H 8.468 . . 360 569 81 GLN C C 175.989 . . 361 569 81 GLN CA C 56.285 . . 362 569 81 GLN CB C 29.402 . . 363 569 81 GLN N N 121.680 . . 364 570 82 GLU H H 8.432 . . 365 570 82 GLU C C 176.567 . . 366 570 82 GLU CA C 56.880 . . 367 570 82 GLU N N 121.544 . . 368 571 83 GLU H H 8.386 . . 369 571 83 GLU C C 176.289 . . 370 571 83 GLU CA C 56.746 . . 371 571 83 GLU CB C 30.501 . . 372 571 83 GLU N N 121.314 . . 373 572 84 ASP H H 8.428 . . 374 572 84 ASP C C 176.787 . . 375 572 84 ASP CA C 54.438 . . 376 572 84 ASP CB C 41.156 . . 377 572 84 ASP N N 121.683 . . 378 573 85 THR H H 8.157 . . 379 573 85 THR C C 175.000 . . 380 573 85 THR CA C 62.340 . . 381 573 85 THR CB C 69.517 . . 382 573 85 THR N N 114.556 . . 383 574 86 GLN H H 8.386 . . 384 574 86 GLN C C 176.137 . . 385 574 86 GLN CA C 56.186 . . 386 574 86 GLN CB C 29.407 . . 387 574 86 GLN N N 121.804 . . 388 575 87 SER H H 8.262 . . 389 575 87 SER C C 174.362 . . 390 575 87 SER CA C 58.444 . . 391 575 87 SER CB C 63.646 . . 392 575 87 SER N N 116.642 . . 393 576 88 ILE H H 8.096 . . 394 576 88 ILE C C 176.319 . . 395 576 88 ILE CA C 61.188 . . 396 576 88 ILE CB C 38.928 . . 397 576 88 ILE N N 121.778 . . 398 577 89 GLY H H 8.252 . . 399 577 89 GLY C C 171.685 . . 400 577 89 GLY CA C 44.614 . . 401 577 89 GLY N N 112.595 . . 402 578 90 PRO C C 177.060 . . 403 578 90 PRO CA C 63.080 . . 404 578 90 PRO CB C 32.836 . . 405 578 90 PRO N N 134.187 . . 406 579 91 LYS H H 8.423 . . 407 579 91 LYS C C 176.667 . . 408 579 91 LYS CB C 32.813 . . 409 579 91 LYS N N 121.542 . . 410 580 92 VAL H H 8.097 . . 411 580 92 VAL C C 175.932 . . 412 580 92 VAL CA C 62.214 . . 413 580 92 VAL CB C 32.914 . . 414 580 92 VAL N N 121.592 . . 415 581 93 GLN H H 8.486 . . 416 581 93 GLN C C 175.679 . . 417 581 93 GLN CA C 55.678 . . 418 581 93 GLN CB C 29.576 . . 419 581 93 GLN N N 124.775 . . 420 582 94 ARG H H 8.443 . . 421 582 94 ARG C C 176.082 . . 422 582 94 ARG CA C 56.055 . . 423 582 94 ARG CB C 31.043 . . 424 582 94 ARG N N 123.286 . . 425 583 95 GLN H H 8.541 . . 426 583 95 GLN C C 175.893 . . 427 583 95 GLN CA C 55.843 . . 428 583 95 GLN CB C 29.684 . . 429 583 95 GLN N N 122.158 . . 430 584 96 SER H H 8.464 . . 431 584 96 SER C C 174.578 . . 432 584 96 SER CA C 58.383 . . 433 584 96 SER CB C 63.898 . . 434 584 96 SER N N 117.520 . . 435 585 97 THR H H 8.254 . . 436 585 97 THR C C 173.598 . . 437 585 97 THR CA C 61.681 . . 438 585 97 THR CB C 69.832 . . 439 585 97 THR N N 115.452 . . 440 586 98 ASN H H 8.083 . . 441 586 98 ASN CA C 54.918 . . 442 586 98 ASN CB C 40.371 . . 443 586 98 ASN N N 125.931 . . stop_ save_