################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34571 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aromatic' . . . 34571 1 2 '2D 1H-1H NOESY' . . . 34571 1 3 '2D 1H-13C HMBC' . . . 34571 1 4 '2D DQF-COSY' . . . 34571 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DG H1 H 1 11.792 0.002 . 1 . . 633 . A 1 DG H1 . 34571 1 2 . 1 . 1 1 1 DG H1' H 1 5.301 0.002 . 1 . . 540 . A 1 DG H1' . 34571 1 3 . 1 . 1 1 1 DG H2' H 1 2.638 0.003 . 1 . . 546 . A 1 DG H2' . 34571 1 4 . 1 . 1 1 1 DG H2'' H 1 2.757 0.002 . 1 . . 545 . A 1 DG H2'' . 34571 1 5 . 1 . 1 1 1 DG H3' H 1 4.926 0.002 . 1 . . 607 . A 1 DG H3' . 34571 1 6 . 1 . 1 1 1 DG H8 H 1 6.718 0.003 . 1 . . 539 . A 1 DG H8 . 34571 1 7 . 1 . 1 1 1 DG C8 C 13 139.931 . . 1 . . 576 . A 1 DG C8 . 34571 1 8 . 1 . 1 2 2 DG H1 H 1 11.938 0.002 . 1 . . 631 . A 2 DG H1 . 34571 1 9 . 1 . 1 2 2 DG H1' H 1 6.010 0.001 . 1 . . 541 . A 2 DG H1' . 34571 1 10 . 1 . 1 2 2 DG H2' H 1 2.487 0.003 . 1 . . 547 . A 2 DG H2' . 34571 1 11 . 1 . 1 2 2 DG H2'' H 1 2.821 0.002 . 1 . . 548 . A 2 DG H2'' . 34571 1 12 . 1 . 1 2 2 DG H3' H 1 5.047 0.001 . 1 . . 608 . A 2 DG H3' . 34571 1 13 . 1 . 1 2 2 DG H8 H 1 7.997 0.001 . 1 . . 544 . A 2 DG H8 . 34571 1 14 . 1 . 1 2 2 DG C8 C 13 138.095 . . 1 . . 597 . A 2 DG C8 . 34571 1 15 . 1 . 1 3 3 DT H1' H 1 5.957 0.003 . 1 . . 543 . A 3 DT H1' . 34571 1 16 . 1 . 1 3 3 DT H2' H 1 1.824 0.001 . 1 . . 551 . A 3 DT H2' . 34571 1 17 . 1 . 1 3 3 DT H2'' H 1 2.273 0.002 . 1 . . 550 . A 3 DT H2'' . 34571 1 18 . 1 . 1 3 3 DT H3' H 1 4.816 0.004 . 1 . . 610 . A 3 DT H3' . 34571 1 19 . 1 . 1 3 3 DT H6 H 1 6.584 0.002 . 1 . . 542 . A 3 DT H6 . 34571 1 20 . 1 . 1 3 3 DT H71 H 1 1.621 0.003 . 1 . . 549 . A 3 DT H71 . 34571 1 21 . 1 . 1 3 3 DT H72 H 1 1.621 0.003 . 1 . . 549 . A 3 DT H72 . 34571 1 22 . 1 . 1 3 3 DT H73 H 1 1.621 0.003 . 1 . . 549 . A 3 DT H73 . 34571 1 23 . 1 . 1 3 3 DT C6 C 13 136.531 . . 1 . . 575 . A 3 DT C6 . 34571 1 24 . 1 . 1 4 4 DC H1' H 1 6.273 0.002 . 1 . . 552 . A 4 DC H1' . 34571 1 25 . 1 . 1 4 4 DC H2' H 1 2.275 0.002 . 1 . . 558 . A 4 DC H2' . 34571 1 26 . 1 . 1 4 4 DC H2'' H 1 2.438 0.002 . 1 . . 559 . A 4 DC H2'' . 34571 1 27 . 1 . 1 4 4 DC H3' H 1 4.813 0.002 . 1 . . 611 . A 4 DC H3' . 34571 1 28 . 1 . 1 4 4 DC H5 H 1 6.265 . . 1 . . 761 . A 4 DC H5 . 34571 1 29 . 1 . 1 4 4 DC H6 H 1 7.910 0.002 . 1 . . 555 . A 4 DC H6 . 34571 1 30 . 1 . 1 4 4 DC C6 C 13 144.762 . . 1 . . 589 . A 4 DC C6 . 34571 1 31 . 1 . 1 5 5 DT H1' H 1 5.893 0.001 . 1 . . 557 . A 5 DT H1' . 34571 1 32 . 1 . 1 5 5 DT H2' H 1 1.990 0.001 . 1 . . 563 . A 5 DT H2' . 34571 1 33 . 1 . 1 5 5 DT H2'' H 1 2.171 0.003 . 1 . . 564 . A 5 DT H2'' . 34571 1 34 . 1 . 1 5 5 DT H3' H 1 4.525 . . 1 . . 612 . A 5 DT H3' . 34571 1 35 . 1 . 1 5 5 DT H6 H 1 7.390 0.001 . 1 . . 556 . A 5 DT H6 . 34571 1 36 . 1 . 1 5 5 DT H71 H 1 1.766 0.002 . 1 . . 470 . A 5 DT H71 . 34571 1 37 . 1 . 1 5 5 DT H72 H 1 1.766 0.002 . 1 . . 470 . A 5 DT H72 . 34571 1 38 . 1 . 1 5 5 DT H73 H 1 1.766 0.002 . 1 . . 470 . A 5 DT H73 . 34571 1 39 . 1 . 1 5 5 DT C6 C 13 139.669 . . 1 . . 583 . A 5 DT C6 . 34571 1 40 . 1 . 1 6 6 DG H1' H 1 5.277 0.002 . 1 . . 554 . A 6 DG H1' . 34571 1 41 . 1 . 1 6 6 DG H2' H 1 2.221 0.002 . 1 . . 565 . A 6 DG H2' . 34571 1 42 . 1 . 1 6 6 DG H2'' H 1 2.039 0.001 . 1 . . 566 . A 6 DG H2'' . 34571 1 43 . 1 . 1 6 6 DG H3' H 1 4.636 0.003 . 1 . . 613 . A 6 DG H3' . 34571 1 44 . 1 . 1 6 6 DG H8 H 1 6.905 0.002 . 1 . . 553 . A 6 DG H8 . 34571 1 45 . 1 . 1 6 6 DG C8 C 13 139.565 . . 1 . . 577 . A 6 DG C8 . 34571 1 46 . 1 . 1 7 7 DA H1' H 1 5.855 0.0 . 1 . . 489 . A 7 DA H1' . 34571 1 47 . 1 . 1 7 7 DA H2 H 1 7.222 0.002 . 1 . . 600 . A 7 DA H2 . 34571 1 48 . 1 . 1 7 7 DA H2' H 1 1.972 0.003 . 1 . . 569 . A 7 DA H2' . 34571 1 49 . 1 . 1 7 7 DA H2'' H 1 2.563 0.002 . 1 . . 568 . A 7 DA H2'' . 34571 1 50 . 1 . 1 7 7 DA H3' H 1 4.813 . . 1 . . 614 . A 7 DA H3' . 34571 1 51 . 1 . 1 7 7 DA H8 H 1 7.797 0.001 . 1 . . 567 . A 7 DA H8 . 34571 1 52 . 1 . 1 7 7 DA C2 C 13 153.444 . . 1 . . 601 . A 7 DA C2 . 34571 1 53 . 1 . 1 7 7 DA C8 C 13 140.708 . . 1 . . 592 . A 7 DA C8 . 34571 1 54 . 1 . 1 8 8 DG H1 H 1 10.996 0.002 . 1 . . 628 . A 8 DG H1 . 34571 1 55 . 1 . 1 8 8 DG H1' H 1 6.014 0.001 . 1 . . 479 . A 8 DG H1' . 34571 1 56 . 1 . 1 8 8 DG H2' H 1 3.412 0.003 . 1 . . 502 . A 8 DG H2' . 34571 1 57 . 1 . 1 8 8 DG H2'' H 1 2.896 0.002 . 1 . . 501 . A 8 DG H2'' . 34571 1 58 . 1 . 1 8 8 DG H3' H 1 4.879 0.0 . 1 . . 606 . A 8 DG H3' . 34571 1 59 . 1 . 1 8 8 DG H8 H 1 7.359 0.003 . 1 . . 478 . A 8 DG H8 . 34571 1 60 . 1 . 1 8 8 DG C8 C 13 141.709 . . 1 . . 578 . A 8 DG C8 . 34571 1 61 . 1 . 1 9 9 DG H1 H 1 11.591 0.001 . 1 . . 639 . A 9 DG H1 . 34571 1 62 . 1 . 1 9 9 DG H1' H 1 5.903 0.0 . 1 . . 477 . A 9 DG H1' . 34571 1 63 . 1 . 1 9 9 DG H2' H 1 2.511 0.004 . 1 . . 505 . A 9 DG H2' . 34571 1 64 . 1 . 1 9 9 DG H2'' H 1 2.854 0.003 . 1 . . 503 . A 9 DG H2'' . 34571 1 65 . 1 . 1 9 9 DG H3' H 1 5.011 0.002 . 1 . . 605 . A 9 DG H3' . 34571 1 66 . 1 . 1 9 9 DG H8 H 1 8.015 0.001 . 1 . . 480 . A 9 DG H8 . 34571 1 67 . 1 . 1 9 9 DG C8 C 13 138.442 . . 1 . . 598 . A 9 DG C8 . 34571 1 68 . 1 . 1 10 10 DG H1 H 1 11.295 0.002 . 1 . . 629 . A 10 DG H1 . 34571 1 69 . 1 . 1 10 10 DG H1' H 1 5.841 0.002 . 1 . . 474 . A 10 DG H1' . 34571 1 70 . 1 . 1 10 10 DG H2' H 1 2.395 0.001 . 1 . . 506 . A 10 DG H2' . 34571 1 71 . 1 . 1 10 10 DG H2'' H 1 2.640 0.001 . 1 . . 507 . A 10 DG H2'' . 34571 1 72 . 1 . 1 10 10 DG H3' H 1 4.979 0.002 . 1 . . 604 . A 10 DG H3' . 34571 1 73 . 1 . 1 10 10 DG H8 H 1 7.506 0.001 . 1 . . 476 . A 10 DG H8 . 34571 1 74 . 1 . 1 10 10 DG C8 C 13 137.452 . . 1 . . 585 . A 10 DG C8 . 34571 1 75 . 1 . 1 11 11 DA H1' H 1 6.263 0.002 . 1 . . 473 . A 11 DA H1' . 34571 1 76 . 1 . 1 11 11 DA H2 H 1 7.783 0.001 . 1 . . 636 . A 11 DA H2 . 34571 1 77 . 1 . 1 11 11 DA H2' H 1 2.705 0.003 . 1 . . 508 . A 11 DA H2' . 34571 1 78 . 1 . 1 11 11 DA H2'' H 1 2.650 0.0 . 1 . . 509 . A 11 DA H2'' . 34571 1 79 . 1 . 1 11 11 DA H3' H 1 4.920 0.002 . 1 . . 615 . A 11 DA H3' . 34571 1 80 . 1 . 1 11 11 DA H8 H 1 8.287 0.001 . 1 . . 472 . A 11 DA H8 . 34571 1 81 . 1 . 1 11 11 DA C2 C 13 154.543 . . 1 . . 637 . A 11 DA C2 . 34571 1 82 . 1 . 1 11 11 DA C8 C 13 142.361 . . 1 . . 591 . A 11 DA C8 . 34571 1 83 . 1 . 1 12 12 DG H1' H 1 5.917 0.001 . 1 . . 511 . A 12 DG H1' . 34571 1 84 . 1 . 1 12 12 DG H2' H 1 2.649 0.002 . 1 . . 519 . A 12 DG H2' . 34571 1 85 . 1 . 1 12 12 DG H2'' H 1 2.476 0.003 . 1 . . 518 . A 12 DG H2'' . 34571 1 86 . 1 . 1 12 12 DG H3' H 1 4.882 0.002 . 1 . . 616 . A 12 DG H3' . 34571 1 87 . 1 . 1 12 12 DG H8 H 1 7.973 0.001 . 1 . . 510 . A 12 DG H8 . 34571 1 88 . 1 . 1 12 12 DG C8 C 13 140.065 . . 1 . . 595 . A 12 DG C8 . 34571 1 89 . 1 . 1 13 13 DA H1' H 1 5.942 0.001 . 1 . . 513 . A 13 DA H1' . 34571 1 90 . 1 . 1 13 13 DA H2 H 1 7.740 0.002 . 1 . . 526 . A 13 DA H2 . 34571 1 91 . 1 . 1 13 13 DA H2' H 1 2.170 0.003 . 1 . . 521 . A 13 DA H2' . 34571 1 92 . 1 . 1 13 13 DA H2'' H 1 2.363 0.002 . 1 . . 520 . A 13 DA H2'' . 34571 1 93 . 1 . 1 13 13 DA H3' H 1 4.719 0.0 . 1 . . 617 . A 13 DA H3' . 34571 1 94 . 1 . 1 13 13 DA H8 H 1 7.856 0.001 . 1 . . 512 . A 13 DA H8 . 34571 1 95 . 1 . 1 13 13 DA C2 C 13 154.251 . . 1 . . 599 . A 13 DA C2 . 34571 1 96 . 1 . 1 13 13 DA C8 C 13 141.486 . . 1 . . 593 . A 13 DA C8 . 34571 1 97 . 1 . 1 14 14 DG H1 H 1 10.818 0.002 . 1 . . 627 . A 14 DG H1 . 34571 1 98 . 1 . 1 14 14 DG H1' H 1 6.184 0.002 . 1 . . 515 . A 14 DG H1' . 34571 1 99 . 1 . 1 14 14 DG H2' H 1 2.784 0.001 . 1 . . 523 . A 14 DG H2' . 34571 1 100 . 1 . 1 14 14 DG H2'' H 1 2.889 0.004 . 1 . . 522 . A 14 DG H2'' . 34571 1 101 . 1 . 1 14 14 DG H3' H 1 5.880 0.004 . 1 . . 516 . A 14 DG H3' . 34571 1 102 . 1 . 1 14 14 DG H8 H 1 7.121 0.002 . 1 . . 514 . A 14 DG H8 . 34571 1 103 . 1 . 1 14 14 DG C8 C 13 139.996 . . 1 . . 517 . A 14 DG C8 . 34571 1 104 . 1 . 1 15 15 DG H1 H 1 11.191 0.002 . 1 . . 635 . A 15 DG H1 . 34571 1 105 . 1 . 1 15 15 DG H1' H 1 6.102 0.002 . 1 . . 533 . A 15 DG H1' . 34571 1 106 . 1 . 1 15 15 DG H2' H 1 3.013 0.001 . 1 . . 524 . A 15 DG H2' . 34571 1 107 . 1 . 1 15 15 DG H2'' H 1 2.695 0.002 . 1 . . 525 . A 15 DG H2'' . 34571 1 108 . 1 . 1 15 15 DG H3' H 1 5.065 0.001 . 1 . . 603 . A 15 DG H3' . 34571 1 109 . 1 . 1 15 15 DG H8 H 1 7.485 0.001 . 1 . . 481 . A 15 DG H8 . 34571 1 110 . 1 . 1 15 15 DG C8 C 13 136.556 . . 1 . . 584 . A 15 DG C8 . 34571 1 111 . 1 . 1 16 16 DG H1 H 1 11.593 0.002 . 1 . . 634 . A 16 DG H1 . 34571 1 112 . 1 . 1 16 16 DG H1' H 1 6.107 0.002 . 1 . . 528 . A 16 DG H1' . 34571 1 113 . 1 . 1 16 16 DG H2' H 1 2.810 0.002 . 1 . . 530 . A 16 DG H2' . 34571 1 114 . 1 . 1 16 16 DG H2'' H 1 2.535 0.003 . 1 . . 531 . A 16 DG H2'' . 34571 1 115 . 1 . 1 16 16 DG H3' H 1 4.969 0.001 . 1 . . 621 . A 16 DG H3' . 34571 1 116 . 1 . 1 16 16 DG H8 H 1 7.668 0.002 . 1 . . 529 . A 16 DG H8 . 34571 1 117 . 1 . 1 16 16 DG C8 C 13 138.010 . . 1 . . 587 . A 16 DG C8 . 34571 1 118 . 1 . 1 17 17 DG H1 H 1 11.013 0.002 . 1 . . 638 . A 17 DG H1 . 34571 1 119 . 1 . 1 17 17 DG H1' H 1 6.263 0.001 . 1 . . 532 . A 17 DG H1' . 34571 1 120 . 1 . 1 17 17 DG H2' H 1 2.810 0.002 . 1 . . 534 . A 17 DG H2' . 34571 1 121 . 1 . 1 17 17 DG H2'' H 1 2.646 0.001 . 1 . . 535 . A 17 DG H2'' . 34571 1 122 . 1 . 1 17 17 DG H3' H 1 4.973 0.001 . 1 . . 620 . A 17 DG H3' . 34571 1 123 . 1 . 1 17 17 DG H8 H 1 7.889 0.001 . 1 . . 527 . A 17 DG H8 . 34571 1 124 . 1 . 1 17 17 DG C8 C 13 137.717 . . 1 . . 596 . A 17 DG C8 . 34571 1 125 . 1 . 1 18 18 DC H1' H 1 6.462 0.001 . 1 . . 570 . A 18 DC H1' . 34571 1 126 . 1 . 1 18 18 DC H2' H 1 2.290 . . 1 . . 574 . A 18 DC H2' . 34571 1 127 . 1 . 1 18 18 DC H2'' H 1 2.647 0.002 . 1 . . 573 . A 18 DC H2'' . 34571 1 128 . 1 . 1 18 18 DC H3' H 1 4.620 0.001 . 1 . . 622 . A 18 DC H3' . 34571 1 129 . 1 . 1 18 18 DC H5 H 1 6.161 . . 1 . . 572 . A 18 DC H5 . 34571 1 130 . 1 . 1 18 18 DC H6 H 1 7.980 0.002 . 1 . . 571 . A 18 DC H6 . 34571 1 131 . 1 . 1 18 18 DC C6 C 13 144.443 . . 1 . . 590 . A 18 DC C6 . 34571 1 132 . 1 . 1 19 19 DT H1' H 1 6.628 0.001 . 1 . . 538 . A 19 DT H1' . 34571 1 133 . 1 . 1 19 19 DT H2' H 1 2.659 . . 1 . . 561 . A 19 DT H2' . 34571 1 134 . 1 . 1 19 19 DT H2'' H 1 2.660 0.001 . 1 . . 562 . A 19 DT H2'' . 34571 1 135 . 1 . 1 19 19 DT H3' H 1 5.044 0.001 . 1 . . 618 . A 19 DT H3' . 34571 1 136 . 1 . 1 19 19 DT H6 H 1 7.845 0.001 . 1 . . 537 . A 19 DT H6 . 34571 1 137 . 1 . 1 19 19 DT H71 H 1 2.103 0.001 . 1 . . 560 . A 19 DT H71 . 34571 1 138 . 1 . 1 19 19 DT H72 H 1 2.103 0.001 . 1 . . 560 . A 19 DT H72 . 34571 1 139 . 1 . 1 19 19 DT H73 H 1 2.103 0.001 . 1 . . 560 . A 19 DT H73 . 34571 1 140 . 1 . 1 19 19 DT C6 C 13 140.443 . . 1 . . 594 . A 19 DT C6 . 34571 1 141 . 1 . 1 20 20 DG H1 H 1 11.565 0.001 . 1 . . 632 . A 20 DG H1 . 34571 1 142 . 1 . 1 20 20 DG H1' H 1 5.987 0.001 . 1 . . 499 . A 20 DG H1' . 34571 1 143 . 1 . 1 20 20 DG H2' H 1 2.932 0.001 . 1 . . 498 . A 20 DG H2' . 34571 1 144 . 1 . 1 20 20 DG H2'' H 1 2.863 0.002 . 1 . . 497 . A 20 DG H2'' . 34571 1 145 . 1 . 1 20 20 DG H3' H 1 4.865 0.002 . 1 . . 626 . A 20 DG H3' . 34571 1 146 . 1 . 1 20 20 DG H8 H 1 7.332 0.001 . 1 . . 582 . A 20 DG H8 . 34571 1 147 . 1 . 1 20 20 DG C8 C 13 141.602 . . 1 . . 580 . A 20 DG C8 . 34571 1 148 . 1 . 1 21 21 DG H1 H 1 11.474 0.002 . 1 . . 640 . A 21 DG H1 . 34571 1 149 . 1 . 1 21 21 DG H1' H 1 5.983 0.001 . 1 . . 486 . A 21 DG H1' . 34571 1 150 . 1 . 1 21 21 DG H2' H 1 2.626 0.002 . 1 . . 496 . A 21 DG H2' . 34571 1 151 . 1 . 1 21 21 DG H2'' H 1 2.710 0.002 . 1 . . 602 . A 21 DG H2'' . 34571 1 152 . 1 . 1 21 21 DG H3' H 1 5.075 0.001 . 1 . . 625 . A 21 DG H3' . 34571 1 153 . 1 . 1 21 21 DG H8 H 1 7.691 0.001 . 1 . . 487 . A 21 DG H8 . 34571 1 154 . 1 . 1 21 21 DG C8 C 13 137.892 . . 1 . . 588 . A 21 DG C8 . 34571 1 155 . 1 . 1 22 22 DG H1 H 1 11.468 0.003 . 1 . . 630 . A 22 DG H1 . 34571 1 156 . 1 . 1 22 22 DG H1' H 1 6.271 0.001 . 1 . . 484 . A 22 DG H1' . 34571 1 157 . 1 . 1 22 22 DG H2' H 1 2.584 0.002 . 1 . . 493 . A 22 DG H2' . 34571 1 158 . 1 . 1 22 22 DG H2'' H 1 2.936 0.002 . 1 . . 494 . A 22 DG H2'' . 34571 1 159 . 1 . 1 22 22 DG H3' H 1 4.984 0.001 . 1 . . 624 . A 22 DG H3' . 34571 1 160 . 1 . 1 22 22 DG H8 H 1 7.634 0.001 . 1 . . 485 . A 22 DG H8 . 34571 1 161 . 1 . 1 22 22 DG C8 C 13 137.208 . . 1 . . 586 . A 22 DG C8 . 34571 1 162 . 1 . 1 23 23 DT H1' H 1 6.078 0.001 . 1 . . 483 . A 23 DT H1' . 34571 1 163 . 1 . 1 23 23 DT H2' H 1 2.143 0.002 . 1 . . 491 . A 23 DT H2' . 34571 1 164 . 1 . 1 23 23 DT H2'' H 1 2.142 0.003 . 1 . . 492 . A 23 DT H2'' . 34571 1 165 . 1 . 1 23 23 DT H3' H 1 4.513 . . 1 . . 623 . A 23 DT H3' . 34571 1 166 . 1 . 1 23 23 DT H6 H 1 7.212 0.001 . 1 . . 482 . A 23 DT H6 . 34571 1 167 . 1 . 1 23 23 DT H71 H 1 1.608 0.001 . 1 . . 490 . A 23 DT H71 . 34571 1 168 . 1 . 1 23 23 DT H72 H 1 1.608 0.001 . 1 . . 490 . A 23 DT H72 . 34571 1 169 . 1 . 1 23 23 DT H73 H 1 1.608 0.001 . 1 . . 490 . A 23 DT H73 . 34571 1 170 . 1 . 1 23 23 DT C6 C 13 138.349 . . 1 . . 500 . A 23 DT C6 . 34571 1 stop_ save_