data_27934 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N resonance assignments for IMP2 KH34 ; _BMRB_accession_number 27934 _BMRB_flat_file_name bmr27934.str _Entry_type original _Submission_date 2019-06-02 _Accession_date 2019-06-02 _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 Biswas Jeetayu . . 2 Patel Vivek L. . 3 Bhaskar Varun . . 4 Chao Jeffrey A. . 5 Eliscovich Carolina . . 6 Singer Robert H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 153 "13C chemical shifts" 334 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-08 original BMRB . stop_ _Original_release_date 2019-06-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structural basis for RNA selectivity by the IMP family of RNA binding proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31570709 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biswas Jeetayu . . 2 Patel Vivek L. . 3 Bhaskar Varun . . 4 Chao Jeffrey A. . 5 Singer Robert H. . 6 Eliscovich Carolina L. . stop_ _Journal_abbreviation 'Nat. Comm.' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4440 _Page_last 4440 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IGF2BP2 KH Domains 3 and 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KH Domains 3 and 4' $IMP2_KH34 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_IMP2_KH34 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IMP2_KH34 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; HHHHHHGENLYFQGGSEQEI VNLFIPTQAVGAIIGKKGAH IKQLARFAGASIKIAPAEGP DVSERMVIITGPPEAQFKAQ GRIFGKLKEENFFNPKEEVK LEAHIRVPSSTAGRVIGKGG KTVNELQNLTSAEVIVPRDQ TPDENEEVIVRIIGHFFASQ TAQRKIREIVQQVKQQEQK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 410 HIS 2 411 HIS 3 412 HIS 4 413 HIS 5 414 HIS 6 415 HIS 7 416 GLY 8 417 GLU 9 418 ASN 10 419 LEU 11 420 TYR 12 421 PHE 13 422 GLN 14 423 GLY 15 424 GLY 16 425 SER 17 426 GLU 18 427 GLN 19 428 GLU 20 429 ILE 21 430 VAL 22 431 ASN 23 432 LEU 24 433 PHE 25 434 ILE 26 435 PRO 27 436 THR 28 437 GLN 29 438 ALA 30 439 VAL 31 440 GLY 32 441 ALA 33 442 ILE 34 443 ILE 35 444 GLY 36 445 LYS 37 446 LYS 38 447 GLY 39 448 ALA 40 449 HIS 41 450 ILE 42 451 LYS 43 452 GLN 44 453 LEU 45 454 ALA 46 455 ARG 47 456 PHE 48 457 ALA 49 458 GLY 50 459 ALA 51 460 SER 52 461 ILE 53 462 LYS 54 463 ILE 55 464 ALA 56 465 PRO 57 466 ALA 58 467 GLU 59 468 GLY 60 469 PRO 61 470 ASP 62 471 VAL 63 472 SER 64 473 GLU 65 474 ARG 66 475 MET 67 476 VAL 68 477 ILE 69 478 ILE 70 479 THR 71 480 GLY 72 481 PRO 73 482 PRO 74 483 GLU 75 484 ALA 76 485 GLN 77 486 PHE 78 487 LYS 79 488 ALA 80 489 GLN 81 490 GLY 82 491 ARG 83 492 ILE 84 493 PHE 85 494 GLY 86 495 LYS 87 496 LEU 88 497 LYS 89 498 GLU 90 499 GLU 91 500 ASN 92 501 PHE 93 502 PHE 94 503 ASN 95 504 PRO 96 505 LYS 97 506 GLU 98 507 GLU 99 508 VAL 100 509 LYS 101 510 LEU 102 511 GLU 103 512 ALA 104 513 HIS 105 514 ILE 106 515 ARG 107 516 VAL 108 517 PRO 109 518 SER 110 519 SER 111 520 THR 112 521 ALA 113 522 GLY 114 523 ARG 115 524 VAL 116 525 ILE 117 526 GLY 118 527 LYS 119 528 GLY 120 529 GLY 121 530 LYS 122 531 THR 123 532 VAL 124 533 ASN 125 534 GLU 126 535 LEU 127 536 GLN 128 537 ASN 129 538 LEU 130 539 THR 131 540 SER 132 541 ALA 133 542 GLU 134 543 VAL 135 544 ILE 136 545 VAL 137 546 PRO 138 547 ARG 139 548 ASP 140 549 GLN 141 550 THR 142 551 PRO 143 552 ASP 144 553 GLU 145 554 ASN 146 555 GLU 147 556 GLU 148 557 VAL 149 558 ILE 150 559 VAL 151 560 ARG 152 561 ILE 153 562 ILE 154 563 GLY 155 564 HIS 156 565 PHE 157 566 PHE 158 567 ALA 159 568 SER 160 569 GLN 161 570 THR 162 571 ALA 163 572 GLN 164 573 ARG 165 574 LYS 166 575 ILE 167 576 ARG 168 577 GLU 169 578 ILE 170 579 VAL 171 580 GLN 172 581 GLN 173 582 VAL 174 583 LYS 175 584 GLN 176 585 GLN 177 586 GLU 178 587 GLN 179 588 LYS 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 $IMP2_KH34 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 $IMP2_KH34 'recombinant technology' . Escherichia coli . pET22-HT 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 $IMP2_KH34 200 uM '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 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_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_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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' 150 . mM pH 7.2 . 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 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 HNCO' '3D HNCA' '3D HNCACB' '3D HCACO' '3D HN(CO)CA' '3D HN(COCA)CB' 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 'KH Domains 3 and 4' _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 1 410 1 HIS CA C 56.400 0.200 1 2 411 2 HIS H H 7.965 0.02 1 3 411 2 HIS C C 177.918 0.20 1 4 411 2 HIS CA C 57.400 0.200 1 5 411 2 HIS N N 119.964 0.20 1 6 412 3 HIS H H 8.045 0.02 1 7 412 3 HIS C C 178.278 0.20 1 8 412 3 HIS CB C 31.600 0.200 1 9 412 3 HIS N N 122.013 0.20 1 10 413 4 HIS H H 8.040 0.02 1 11 413 4 HIS CA C 57.500 0.200 1 12 413 4 HIS CB C 30.600 0.200 1 13 413 4 HIS N N 119.183 0.20 1 14 414 5 HIS H H 8.259 0.02 1 15 414 5 HIS C C 179.493 0.20 1 16 414 5 HIS N N 119.924 0.20 1 17 415 6 HIS H H 6.747 0.02 1 18 415 6 HIS CB C 28.500 0.200 1 19 415 6 HIS N N 111.792 0.20 1 20 416 7 GLY H H 7.570 0.02 1 21 416 7 GLY N N 112.997 0.20 1 22 418 9 ASN H H 6.766 0.02 1 23 418 9 ASN C C 176.883 0.20 1 24 418 9 ASN CA C 56.600 0.200 1 25 418 9 ASN N N 125.728 0.20 1 26 419 10 LEU H H 8.127 0.02 1 27 419 10 LEU C C 176.812 0.20 1 28 419 10 LEU CA C 54.800 0.200 1 29 419 10 LEU CB C 41.100 0.200 1 30 419 10 LEU N N 122.492 0.20 1 31 420 11 TYR H H 7.867 0.02 1 32 420 11 TYR C C 175.031 0.20 1 33 420 11 TYR CA C 54.800 0.200 1 34 420 11 TYR CB C 38.200 0.200 1 35 420 11 TYR N N 120.056 0.20 1 36 421 12 PHE H H 8.011 0.02 1 37 421 12 PHE C C 180.884 0.20 1 38 421 12 PHE N N 122.482 0.20 1 39 422 13 GLN H H 7.558 0.02 1 40 422 13 GLN C C 180.859 0.20 1 41 422 13 GLN CB C 28.500 0.200 1 42 422 13 GLN N N 114.453 0.20 1 43 423 14 GLY H H 7.558 0.02 1 44 423 14 GLY N N 113.128 0.20 1 45 424 15 GLY H H 7.987 0.02 1 46 424 15 GLY N N 108.224 0.20 1 47 425 16 SER C C 178.308 0.20 1 48 425 16 SER CA C 58.200 0.200 1 49 425 16 SER CB C 62.300 0.200 1 50 426 17 GLU H H 8.255 0.02 1 51 426 17 GLU CA C 56.200 0.200 1 52 426 17 GLU CB C 29.100 0.200 1 53 426 17 GLU N N 118.264 0.20 1 54 427 18 GLN H H 8.264 0.02 1 55 427 18 GLN CB C 29.000 0.200 1 56 427 18 GLN N N 120.531 0.20 1 57 428 19 GLU H H 7.948 0.02 1 58 428 19 GLU C C 176.935 0.20 1 59 428 19 GLU CA C 54.400 0.200 1 60 428 19 GLU CB C 31.200 0.200 1 61 428 19 GLU N N 124.341 0.20 1 62 429 20 ILE H H 8.347 0.02 1 63 429 20 ILE CA C 60.900 0.200 1 64 429 20 ILE CB C 39.300 0.200 1 65 429 20 ILE N N 121.718 0.20 1 66 430 21 VAL H H 9.023 0.02 1 67 430 21 VAL CA C 61.000 0.200 1 68 430 21 VAL CB C 35.000 0.200 1 69 430 21 VAL N N 130.478 0.20 1 70 431 22 ASN H H 8.093 0.02 1 71 431 22 ASN CB C 39.500 0.200 1 72 431 22 ASN N N 125.281 0.20 1 73 432 23 LEU H H 9.422 0.02 1 74 432 23 LEU CA C 52.900 0.200 1 75 432 23 LEU CB C 45.800 0.200 1 76 432 23 LEU N N 126.908 0.20 1 77 433 24 PHE H H 8.511 0.02 1 78 433 24 PHE CB C 40.000 0.200 1 79 433 24 PHE N N 125.289 0.20 1 80 435 26 PRO C C 180.427 0.20 1 81 435 26 PRO CA C 63.300 0.200 1 82 436 27 THR H H 7.415 0.02 1 83 436 27 THR C C 174.816 0.20 1 84 436 27 THR N N 112.959 0.20 1 85 437 28 GLN H H 8.190 0.02 1 86 437 28 GLN CA C 57.400 0.200 1 87 437 28 GLN CB C 26.900 0.200 1 88 437 28 GLN N N 122.492 0.20 1 89 438 29 ALA H H 7.650 0.02 1 90 438 29 ALA C C 177.128 0.20 1 91 438 29 ALA CA C 51.300 0.200 1 92 438 29 ALA CB C 19.000 0.200 1 93 438 29 ALA N N 119.937 0.20 1 94 439 30 VAL H H 7.219 0.02 1 95 439 30 VAL CA C 66.700 0.200 1 96 439 30 VAL CB C 30.600 0.200 1 97 439 30 VAL N N 119.488 0.20 1 98 440 31 GLY C C 176.647 0.20 1 99 440 31 GLY CA C 46.900 0.200 1 100 441 32 ALA H H 7.741 0.02 1 101 441 32 ALA C C 178.831 0.20 1 102 441 32 ALA CA C 53.300 0.200 1 103 441 32 ALA CB C 17.500 0.200 1 104 441 32 ALA N N 124.328 0.20 1 105 442 33 ILE H H 7.462 0.02 1 106 442 33 ILE C C 177.167 0.20 1 107 442 33 ILE CA C 60.700 0.200 1 108 442 33 ILE N N 115.623 0.20 1 109 443 34 ILE H H 8.444 0.02 1 110 443 34 ILE C C 178.608 0.20 1 111 443 34 ILE CA C 64.300 0.200 1 112 443 34 ILE N N 108.273 0.20 1 113 444 35 GLY H H 7.892 0.02 1 114 444 35 GLY CA C 43.600 0.200 1 115 444 35 GLY N N 106.877 0.20 1 116 445 36 LYS H H 9.002 0.02 1 117 445 36 LYS CA C 54.700 0.200 1 118 445 36 LYS CE C 42.100 0.200 1 119 445 36 LYS N N 120.533 0.20 1 120 446 37 LYS CE C 42.100 0.200 1 121 447 38 GLY H H 9.330 0.02 1 122 447 38 GLY C C 175.982 0.20 1 123 447 38 GLY N N 126.108 0.20 1 124 448 39 ALA H H 7.652 0.02 1 125 448 39 ALA C C 176.928 0.20 1 126 448 39 ALA CA C 48.900 0.200 1 127 448 39 ALA CB C 21.400 0.200 1 128 448 39 ALA N N 120.259 0.20 1 129 449 40 HIS H H 9.754 0.02 1 130 449 40 HIS CB C 31.200 0.200 1 131 449 40 HIS N N 120.083 0.20 1 132 450 41 ILE H H 8.094 0.02 1 133 450 41 ILE C C 176.572 0.20 1 134 450 41 ILE CA C 61.000 0.200 1 135 450 41 ILE CB C 38.300 0.200 1 136 450 41 ILE N N 122.895 0.20 1 137 451 42 LYS H H 9.306 0.02 1 138 451 42 LYS CB C 32.200 0.200 1 139 451 42 LYS CE C 42.100 0.200 1 140 451 42 LYS N N 130.974 0.20 1 141 452 43 GLN H H 7.709 0.02 1 142 452 43 GLN CB C 28.400 0.200 1 143 452 43 GLN N N 114.458 0.20 1 144 453 44 LEU CB C 41.800 0.200 1 145 454 45 ALA H H 8.342 0.02 1 146 454 45 ALA CA C 55.400 0.200 1 147 454 45 ALA CB C 17.600 0.200 1 148 454 45 ALA N N 126.498 0.20 1 149 455 46 ARG H H 7.575 0.02 1 150 455 46 ARG C C 179.250 0.20 1 151 455 46 ARG CA C 58.400 0.200 1 152 455 46 ARG CD C 43.300 0.200 1 153 455 46 ARG N N 118.175 0.20 1 154 456 47 PHE H H 7.834 0.02 1 155 456 47 PHE C C 175.972 0.20 1 156 456 47 PHE CA C 58.900 0.200 1 157 456 47 PHE CB C 36.500 0.200 1 158 456 47 PHE N N 119.780 0.20 1 159 457 48 ALA H H 8.728 0.02 1 160 457 48 ALA CA C 50.200 0.200 1 161 457 48 ALA CB C 17.500 0.200 1 162 457 48 ALA N N 133.436 0.20 1 163 459 50 ALA H H 7.947 0.02 1 164 459 50 ALA C C 176.224 0.20 1 165 459 50 ALA CA C 48.900 0.200 1 166 459 50 ALA N N 116.817 0.20 1 167 460 51 SER H H 8.548 0.02 1 168 460 51 SER CA C 56.700 0.200 1 169 460 51 SER CB C 63.500 0.200 1 170 460 51 SER N N 114.597 0.20 1 171 461 52 ILE H H 8.451 0.02 1 172 461 52 ILE CA C 59.900 0.200 1 173 461 52 ILE CB C 39.400 0.200 1 174 461 52 ILE N N 125.726 0.20 1 175 462 53 LYS H H 8.598 0.02 1 176 462 53 LYS C C 173.890 0.20 1 177 462 53 LYS CE C 42.100 0.200 1 178 462 53 LYS N N 126.341 0.20 1 179 463 54 ILE H H 8.615 0.02 1 180 463 54 ILE N N 126.748 0.20 1 181 465 56 PRO C C 176.207 0.20 1 182 465 56 PRO CA C 62.400 0.200 1 183 465 56 PRO CB C 31.100 0.200 1 184 466 57 ALA H H 8.571 0.02 1 185 466 57 ALA C C 178.560 0.20 1 186 466 57 ALA CA C 51.800 0.200 1 187 466 57 ALA CB C 18.600 0.200 1 188 466 57 ALA N N 125.571 0.20 1 189 467 58 GLU H H 8.853 0.02 1 190 467 58 GLU C C 175.993 0.20 1 191 467 58 GLU CA C 56.800 0.200 1 192 467 58 GLU CB C 29.600 0.200 1 193 467 58 GLU N N 122.612 0.20 1 194 468 59 GLY H H 7.507 0.02 1 195 468 59 GLY CA C 44.200 0.200 1 196 468 59 GLY N N 107.026 0.20 1 197 469 60 PRO C C 177.141 0.20 1 198 469 60 PRO CA C 63.400 0.200 1 199 469 60 PRO CB C 31.100 0.200 1 200 470 61 ASP H H 8.440 0.02 1 201 470 61 ASP C C 175.979 0.20 1 202 470 61 ASP CA C 53.400 0.200 1 203 470 61 ASP CB C 40.000 0.200 1 204 470 61 ASP N N 118.454 0.20 1 205 471 62 VAL H H 7.227 0.02 1 206 471 62 VAL CA C 63.300 0.200 1 207 471 62 VAL CB C 31.700 0.200 1 208 471 62 VAL N N 117.250 0.20 1 209 472 63 SER H H 7.570 0.02 1 210 472 63 SER C C 174.901 0.20 1 211 472 63 SER CA C 59.400 0.200 1 212 472 63 SER CB C 63.300 0.200 1 213 472 63 SER N N 128.109 0.20 1 214 473 64 GLU H H 7.529 0.02 1 215 473 64 GLU C C 175.058 0.20 1 216 473 64 GLU CA C 54.900 0.200 1 217 473 64 GLU CB C 32.800 0.200 1 218 473 64 GLU N N 121.420 0.20 1 219 474 65 ARG H H 8.987 0.02 1 220 474 65 ARG CA C 53.600 0.200 1 221 474 65 ARG CB C 35.400 0.200 1 222 474 65 ARG CD C 43.300 0.200 1 223 474 65 ARG N N 119.342 0.20 1 224 475 66 MET H H 8.712 0.02 1 225 475 66 MET C C 173.407 0.20 1 226 475 66 MET CA C 54.800 0.200 1 227 475 66 MET CB C 35.300 0.200 1 228 475 66 MET N N 123.509 0.20 1 229 476 67 VAL H H 9.016 0.02 1 230 476 67 VAL CA C 60.200 0.200 1 231 476 67 VAL CB C 31.800 0.200 1 232 476 67 VAL N N 127.058 0.20 1 233 478 69 ILE H H 6.798 0.02 1 234 478 69 ILE C C 176.196 0.20 1 235 478 69 ILE CA C 59.900 0.200 1 236 478 69 ILE CB C 38.400 0.200 1 237 478 69 ILE N N 118.158 0.20 1 238 479 70 THR H H 9.158 0.02 1 239 479 70 THR C C 174.350 0.20 1 240 479 70 THR CA C 60.700 0.200 1 241 479 70 THR CB C 69.900 0.200 1 242 479 70 THR N N 126.468 0.20 1 243 480 71 GLY H H 9.021 0.02 1 244 480 71 GLY CA C 45.200 0.200 1 245 480 71 GLY N N 113.554 0.20 1 246 482 73 PRO CB C 30.100 0.200 1 247 483 74 GLU H H 7.585 0.02 1 248 483 74 GLU C C 174.095 0.20 1 249 483 74 GLU CA C 59.000 0.200 1 250 483 74 GLU N N 122.609 0.20 1 251 484 75 ALA H H 8.164 0.02 1 252 484 75 ALA C C 176.421 0.20 1 253 484 75 ALA CA C 50.800 0.200 1 254 484 75 ALA CB C 18.700 0.200 1 255 484 75 ALA N N 124.391 0.20 1 256 485 76 GLN H H 8.615 0.02 1 257 485 76 GLN CA C 55.400 0.200 1 258 485 76 GLN CB C 28.400 0.200 1 259 485 76 GLN N N 121.833 0.20 1 260 486 77 PHE H H 7.897 0.02 1 261 486 77 PHE C C 175.101 0.20 1 262 486 77 PHE CA C 54.200 0.200 1 263 486 77 PHE N N 128.995 0.20 1 264 487 78 LYS H H 7.803 0.02 1 265 487 78 LYS C C 174.141 0.20 1 266 487 78 LYS CB C 31.100 0.200 1 267 487 78 LYS CE C 42.100 0.200 1 268 487 78 LYS N N 116.816 0.20 1 269 488 79 ALA H H 8.725 0.02 1 270 488 79 ALA N N 123.798 0.20 1 271 489 80 GLN H H 8.342 0.02 1 272 489 80 GLN CB C 27.900 0.200 1 273 489 80 GLN N N 126.498 0.20 1 274 490 81 GLY H H 7.342 0.02 1 275 490 81 GLY N N 111.333 0.20 1 276 491 82 ARG C C 180.823 0.20 1 277 491 82 ARG CB C 28.500 0.200 1 278 491 82 ARG CD C 43.300 0.200 1 279 492 83 ILE H H 6.801 0.02 1 280 492 83 ILE CA C 61.000 0.200 1 281 492 83 ILE CB C 38.300 0.200 1 282 492 83 ILE N N 114.466 0.20 1 283 493 84 PHE H H 6.804 0.02 1 284 493 84 PHE CB C 45.400 0.200 1 285 493 84 PHE N N 112.259 0.20 1 286 494 85 GLY H H 7.987 0.02 1 287 494 85 GLY N N 108.224 0.20 1 288 495 86 LYS CE C 42.100 0.200 1 289 497 88 LYS C C 179.418 0.20 1 290 497 88 LYS CA C 58.900 0.200 1 291 497 88 LYS CE C 42.100 0.200 1 292 498 89 GLU H H 7.604 0.02 1 293 498 89 GLU C C 178.794 0.20 1 294 498 89 GLU CA C 58.300 0.200 1 295 498 89 GLU CB C 29.200 0.200 1 296 498 89 GLU N N 120.076 0.20 1 297 499 90 GLU H H 8.421 0.02 1 298 499 90 GLU C C 177.106 0.20 1 299 499 90 GLU CA C 59.600 0.200 1 300 499 90 GLU N N 120.979 0.20 1 301 500 91 ASN H H 8.379 0.02 1 302 500 91 ASN CB C 38.200 0.200 1 303 500 91 ASN N N 119.594 0.20 1 304 501 92 PHE H H 8.028 0.02 1 305 501 92 PHE C C 175.956 0.20 1 306 501 92 PHE CA C 57.600 0.200 1 307 501 92 PHE CB C 38.900 0.200 1 308 501 92 PHE N N 122.736 0.20 1 309 502 93 PHE H H 8.848 0.02 1 310 502 93 PHE CA C 56.300 0.200 1 311 502 93 PHE N N 117.274 0.20 1 312 503 94 ASN H H 7.968 0.02 1 313 503 94 ASN N N 122.647 0.20 1 314 504 95 PRO C C 177.765 0.20 1 315 504 95 PRO CA C 64.300 0.200 1 316 505 96 LYS H H 8.288 0.02 1 317 505 96 LYS C C 176.393 0.20 1 318 505 96 LYS CA C 56.300 0.200 1 319 505 96 LYS CB C 31.000 0.200 1 320 505 96 LYS CE C 42.100 0.200 1 321 505 96 LYS N N 116.683 0.20 1 322 506 97 GLU H H 7.799 0.02 1 323 506 97 GLU C C 177.097 0.20 1 324 506 97 GLU CB C 31.200 0.200 1 325 506 97 GLU N N 120.233 0.20 1 326 507 98 GLU H H 8.131 0.02 1 327 507 98 GLU C C 176.705 0.20 1 328 507 98 GLU CA C 54.300 0.200 1 329 507 98 GLU CB C 31.100 0.200 1 330 507 98 GLU N N 120.777 0.20 1 331 508 99 VAL H H 8.926 0.02 1 332 508 99 VAL CA C 58.900 0.200 1 333 508 99 VAL N N 114.618 0.20 1 334 509 100 LYS H H 8.662 0.02 1 335 509 100 LYS C C 176.705 0.20 1 336 509 100 LYS CA C 54.300 0.200 1 337 509 100 LYS CB C 31.100 0.200 1 338 509 100 LYS CE C 42.100 0.200 1 339 509 100 LYS N N 122.875 0.20 1 340 510 101 LEU H H 8.926 0.02 1 341 510 101 LEU CA C 56.400 0.200 1 342 510 101 LEU N N 114.618 0.20 1 343 511 102 GLU H H 8.344 0.02 1 344 511 102 GLU N N 121.139 0.20 1 345 512 103 ALA H H 7.570 0.02 1 346 512 103 ALA C C 174.966 0.20 1 347 512 103 ALA N N 128.109 0.20 1 348 513 104 HIS H H 6.631 0.02 1 349 513 104 HIS CB C 27.600 0.200 1 350 513 104 HIS N N 108.105 0.20 1 351 514 105 ILE H H 7.457 0.02 1 352 514 105 ILE CA C 59.400 0.200 1 353 514 105 ILE CB C 42.100 0.200 1 354 514 105 ILE N N 112.245 0.20 1 355 515 106 ARG H H 8.841 0.02 1 356 515 106 ARG C C 174.158 0.20 1 357 515 106 ARG CA C 58.500 0.200 1 358 515 106 ARG CB C 30.700 0.200 1 359 515 106 ARG CD C 43.300 0.200 1 360 515 106 ARG N N 128.849 0.20 1 361 516 107 VAL H H 8.952 0.02 1 362 516 107 VAL CA C 60.600 0.200 1 363 516 107 VAL N N 120.318 0.20 1 364 517 108 PRO C C 180.427 0.20 1 365 518 109 SER H H 7.415 0.02 1 366 518 109 SER CA C 65.200 0.200 1 367 518 109 SER N N 112.959 0.20 1 368 519 110 SER H H 6.804 0.02 1 369 519 110 SER CA C 59.900 0.200 1 370 519 110 SER N N 112.259 0.20 1 371 520 111 THR H H 7.740 0.02 1 372 520 111 THR CA C 62.900 0.200 1 373 520 111 THR CB C 69.000 0.200 1 374 520 111 THR N N 114.596 0.20 1 375 521 112 ALA H H 7.470 0.02 1 376 521 112 ALA C C 178.980 0.20 1 377 521 112 ALA CA C 55.400 0.200 1 378 521 112 ALA N N 125.277 0.20 1 379 522 113 GLY H H 8.546 0.02 1 380 522 113 GLY N N 116.517 0.20 1 381 523 114 ARG H H 7.637 0.02 1 382 523 114 ARG C C 176.234 0.20 1 383 523 114 ARG CA C 56.600 0.200 1 384 523 114 ARG CB C 29.500 0.200 1 385 523 114 ARG CD C 43.300 0.200 1 386 523 114 ARG N N 120.512 0.20 1 387 524 115 VAL H H 8.066 0.02 1 388 524 115 VAL C C 176.070 0.20 1 389 524 115 VAL CA C 61.700 0.200 1 390 524 115 VAL CB C 31.700 0.200 1 391 524 115 VAL N N 122.608 0.20 1 392 525 116 ILE H H 8.249 0.02 1 393 525 116 ILE CA C 60.600 0.200 1 394 525 116 ILE CB C 40.000 0.200 1 395 525 116 ILE N N 126.325 0.20 1 396 526 117 GLY H H 7.935 0.02 1 397 526 117 GLY N N 108.738 0.20 1 398 527 118 LYS CE C 42.100 0.200 1 399 528 119 GLY H H 7.987 0.02 1 400 528 119 GLY N N 108.224 0.20 1 401 529 120 GLY H H 8.140 0.02 1 402 529 120 GLY N N 110.261 0.20 1 403 530 121 LYS H H 9.330 0.02 1 404 530 121 LYS CA C 57.400 0.200 1 405 530 121 LYS CE C 42.100 0.200 1 406 530 121 LYS N N 126.108 0.20 1 407 531 122 THR H H 8.069 0.02 1 408 531 122 THR C C 174.770 0.20 1 409 531 122 THR CA C 61.000 0.200 1 410 531 122 THR N N 122.301 0.20 1 411 532 123 VAL H H 8.915 0.02 1 412 532 123 VAL C C 175.720 0.20 1 413 532 123 VAL CB C 31.700 0.200 1 414 532 123 VAL N N 124.981 0.20 1 415 533 124 ASN H H 8.194 0.02 1 416 533 124 ASN CB C 38.300 0.200 1 417 533 124 ASN N N 126.336 0.20 1 418 534 125 GLU H H 9.442 0.02 1 419 534 125 GLU C C 174.354 0.20 1 420 534 125 GLU CB C 33.900 0.200 1 421 534 125 GLU N N 126.989 0.20 1 422 535 126 LEU H H 7.685 0.02 1 423 535 126 LEU CA C 52.400 0.200 1 424 535 126 LEU CB C 44.800 0.200 1 425 535 126 LEU N N 120.091 0.20 1 426 536 127 GLN H H 9.304 0.02 1 427 536 127 GLN CA C 54.900 0.200 1 428 536 127 GLN CB C 29.700 0.200 1 429 536 127 GLN N N 125.880 0.20 1 430 537 128 ASN H H 9.324 0.02 1 431 537 128 ASN C C 175.027 0.20 1 432 537 128 ASN CA C 52.900 0.200 1 433 537 128 ASN CB C 38.200 0.200 1 434 537 128 ASN N N 128.251 0.20 1 435 538 129 LEU H H 7.982 0.02 1 436 538 129 LEU C C 177.167 0.20 1 437 538 129 LEU CB C 41.700 0.200 1 438 538 129 LEU N N 122.724 0.20 1 439 539 130 THR H H 8.444 0.02 1 440 539 130 THR CB C 69.000 0.200 1 441 539 130 THR N N 108.273 0.20 1 442 540 131 SER H H 8.839 0.02 1 443 540 131 SER N N 103.298 0.20 1 444 541 132 ALA CA C 51.900 0.200 1 445 542 133 GLU H H 8.176 0.02 1 446 542 133 GLU C C 176.363 0.20 1 447 542 133 GLU CA C 55.900 0.200 1 448 542 133 GLU CB C 29.500 0.200 1 449 542 133 GLU N N 120.505 0.20 1 450 543 134 VAL H H 8.138 0.02 1 451 543 134 VAL C C 175.749 0.20 1 452 543 134 VAL CA C 61.900 0.200 1 453 543 134 VAL CB C 31.700 0.200 1 454 543 134 VAL N N 123.075 0.20 1 455 544 135 ILE H H 8.212 0.02 1 456 544 135 ILE C C 176.013 0.20 1 457 544 135 ILE CA C 60.000 0.200 1 458 544 135 ILE CB C 37.400 0.200 1 459 544 135 ILE N N 126.615 0.20 1 460 545 136 VAL H H 8.228 0.02 1 461 545 136 VAL CA C 59.200 0.200 1 462 545 136 VAL CB C 31.800 0.200 1 463 545 136 VAL N N 127.704 0.20 1 464 546 137 PRO C C 177.138 0.20 1 465 546 137 PRO CA C 62.900 0.200 1 466 547 138 ARG H H 8.515 0.02 1 467 547 138 ARG C C 176.338 0.20 1 468 547 138 ARG CA C 55.900 0.200 1 469 547 138 ARG CD C 43.300 0.200 1 470 547 138 ARG N N 123.884 0.20 1 471 548 139 ASP H H 8.658 0.02 1 472 548 139 ASP CA C 54.000 0.200 1 473 548 139 ASP CB C 38.700 0.200 1 474 548 139 ASP N N 118.320 0.20 1 475 549 140 GLN H H 7.977 0.02 1 476 549 140 GLN C C 176.242 0.20 1 477 549 140 GLN CB C 32.200 0.200 1 478 549 140 GLN N N 116.970 0.20 1 479 550 141 THR H H 8.256 0.02 1 480 550 141 THR N N 124.982 0.20 1 481 551 142 PRO C C 175.973 0.20 1 482 551 142 PRO CA C 61.900 0.200 1 483 551 142 PRO CB C 31.200 0.200 1 484 552 143 ASP H H 8.456 0.02 1 485 552 143 ASP C C 176.693 0.20 1 486 552 143 ASP CB C 40.400 0.200 1 487 552 143 ASP N N 122.464 0.20 1 488 553 144 GLU H H 7.988 0.02 1 489 553 144 GLU CB C 31.800 0.200 1 490 553 144 GLU N N 120.807 0.20 1 491 554 145 ASN H H 8.379 0.02 1 492 554 145 ASN C C 174.356 0.20 1 493 554 145 ASN CA C 52.400 0.200 1 494 554 145 ASN CB C 38.300 0.200 1 495 554 145 ASN N N 119.193 0.20 1 496 555 146 GLU H H 8.570 0.02 1 497 555 146 GLU C C 175.375 0.20 1 498 555 146 GLU CA C 56.900 0.200 1 499 555 146 GLU N N 117.724 0.20 1 500 556 147 GLU H H 8.295 0.02 1 501 556 147 GLU C C 175.406 0.20 1 502 556 147 GLU CA C 55.400 0.200 1 503 556 147 GLU CB C 30.100 0.200 1 504 556 147 GLU N N 118.969 0.20 1 505 557 148 VAL H H 8.396 0.02 1 506 557 148 VAL C C 174.643 0.20 1 507 557 148 VAL CA C 60.800 0.200 1 508 557 148 VAL CB C 32.200 0.200 1 509 557 148 VAL N N 126.615 0.20 1 510 558 149 ILE H H 9.101 0.02 1 511 558 149 ILE C C 177.628 0.20 1 512 558 149 ILE CA C 59.700 0.200 1 513 558 149 ILE N N 127.506 0.20 1 514 559 150 VAL H H 7.818 0.02 1 515 559 150 VAL C C 179.275 0.20 1 516 559 150 VAL CA C 63.700 0.200 1 517 559 150 VAL CB C 31.200 0.200 1 518 559 150 VAL N N 121.230 0.20 1 519 560 151 ARG H H 9.414 0.02 1 520 560 151 ARG C C 175.546 0.20 1 521 560 151 ARG CA C 54.300 0.200 1 522 560 151 ARG CB C 31.300 0.200 1 523 560 151 ARG CD C 43.300 0.200 1 524 560 151 ARG N N 123.351 0.20 1 525 561 152 ILE H H 9.468 0.02 1 526 561 152 ILE C C 176.672 0.20 1 527 561 152 ILE CA C 59.600 0.200 1 528 561 152 ILE N N 122.464 0.20 1 529 562 153 ILE H H 9.672 0.02 1 530 562 153 ILE C C 176.080 0.20 1 531 562 153 ILE CA C 60.400 0.200 1 532 562 153 ILE CB C 39.500 0.200 1 533 562 153 ILE N N 131.785 0.20 1 534 563 154 GLY H H 8.168 0.02 1 535 563 154 GLY CA C 45.400 0.200 1 536 563 154 GLY N N 112.213 0.20 1 537 564 155 HIS H H 7.617 0.02 1 538 564 155 HIS CA C 54.900 0.200 1 539 564 155 HIS CB C 30.700 0.200 1 540 564 155 HIS N N 117.561 0.20 1 541 565 156 PHE H H 8.850 0.02 1 542 565 156 PHE C C 178.787 0.20 1 543 565 156 PHE CA C 61.500 0.200 1 544 565 156 PHE CB C 38.300 0.200 1 545 565 156 PHE N N 121.117 0.20 1 546 566 157 PHE H H 7.441 0.02 1 547 566 157 PHE CA C 54.100 0.200 1 548 566 157 PHE N N 119.341 0.20 1 549 567 158 ALA H H 7.013 0.02 1 550 567 158 ALA C C 178.128 0.20 1 551 567 158 ALA CA C 56.100 0.200 1 552 567 158 ALA CB C 25.000 0.200 1 553 567 158 ALA N N 123.219 0.20 1 554 568 159 SER H H 8.347 0.02 1 555 568 159 SER C C 174.473 0.20 1 556 568 159 SER CA C 57.900 0.200 1 557 568 159 SER CB C 63.500 0.200 1 558 568 159 SER N N 115.185 0.20 1 559 569 160 GLN H H 8.475 0.02 1 560 569 160 GLN CB C 27.900 0.200 1 561 569 160 GLN N N 123.052 0.20 1 562 570 161 THR H H 7.342 0.02 1 563 570 161 THR CA C 63.300 0.200 1 564 570 161 THR N N 111.333 0.20 1 565 572 163 GLN H H 7.947 0.02 1 566 572 163 GLN C C 176.269 0.20 1 567 572 163 GLN CA C 56.200 0.200 1 568 572 163 GLN CB C 29.100 0.200 1 569 572 163 GLN N N 116.817 0.20 1 570 573 164 ARG H H 8.309 0.02 1 571 573 164 ARG CA C 56.000 0.200 1 572 573 164 ARG CB C 29.000 0.200 1 573 573 164 ARG CD C 43.300 0.200 1 574 573 164 ARG N N 123.217 0.20 1 575 574 165 LYS H H 7.929 0.02 1 576 574 165 LYS C C 176.564 0.20 1 577 574 165 LYS CA C 54.900 0.200 1 578 574 165 LYS CB C 31.700 0.200 1 579 574 165 LYS CE C 42.100 0.200 1 580 574 165 LYS N N 124.083 0.20 1 581 575 166 ILE H H 8.898 0.02 1 582 575 166 ILE C C 175.988 0.20 1 583 575 166 ILE CA C 58.600 0.200 1 584 575 166 ILE CB C 40.400 0.200 1 585 575 166 ILE N N 113.727 0.20 1 586 576 167 ARG H H 8.662 0.02 1 587 576 167 ARG C C 174.366 0.20 1 588 576 167 ARG CB C 27.100 0.200 1 589 576 167 ARG CD C 43.300 0.200 1 590 576 167 ARG N N 123.212 0.20 1 591 577 168 GLU H H 7.923 0.02 1 592 577 168 GLU C C 175.331 0.20 1 593 577 168 GLU CA C 57.200 0.200 1 594 577 168 GLU CB C 29.000 0.200 1 595 577 168 GLU N N 129.168 0.20 1 596 578 169 ILE H H 7.893 0.02 1 597 578 169 ILE C C 180.176 0.20 1 598 578 169 ILE CA C 65.000 0.200 1 599 578 169 ILE CB C 38.400 0.200 1 600 578 169 ILE N N 121.873 0.20 1 601 579 170 VAL H H 6.802 0.02 1 602 579 170 VAL C C 178.099 0.20 1 603 579 170 VAL CA C 65.800 0.200 1 604 579 170 VAL CB C 30.700 0.200 1 605 579 170 VAL N N 113.075 0.20 1 606 580 171 GLN H H 7.818 0.02 1 607 580 171 GLN C C 177.866 0.20 1 608 580 171 GLN CA C 57.600 0.200 1 609 580 171 GLN CB C 27.900 0.200 1 610 580 171 GLN N N 118.442 0.20 1 611 581 172 GLN H H 8.000 0.02 1 612 581 172 GLN C C 178.327 0.20 1 613 581 172 GLN CA C 57.800 0.200 1 614 581 172 GLN CB C 27.700 0.200 1 615 581 172 GLN N N 120.085 0.20 1 616 582 173 VAL H H 8.063 0.02 1 617 582 173 VAL CA C 64.400 0.200 1 618 582 173 VAL CB C 30.800 0.200 1 619 582 173 VAL N N 120.230 0.20 1 620 583 174 LYS H H 8.030 0.02 1 621 583 174 LYS CA C 57.800 0.200 1 622 583 174 LYS CE C 42.100 0.200 1 623 583 174 LYS N N 121.719 0.20 1 624 584 175 GLN H H 8.061 0.02 1 625 584 175 GLN N N 119.482 0.20 1 626 585 176 GLN H H 7.624 0.02 1 627 585 176 GLN CA C 55.900 0.200 1 628 585 176 GLN CB C 28.400 0.200 1 629 585 176 GLN N N 115.089 0.20 1 630 586 177 GLU H H 8.098 0.02 1 631 586 177 GLU C C 176.458 0.20 1 632 586 177 GLU CA C 56.400 0.200 1 633 586 177 GLU CB C 29.500 0.200 1 634 586 177 GLU N N 121.130 0.20 1 635 587 178 GLN H H 8.106 0.02 1 636 587 178 GLN CA C 55.300 0.200 1 637 587 178 GLN CB C 28.500 0.200 1 638 587 178 GLN N N 121.921 0.20 1 639 588 179 LYS H H 7.982 0.02 1 640 588 179 LYS N N 129.441 0.20 1 stop_ save_