################################### # 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 34880 _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-1H NOESY' . . . 34880 1 2 '2D DQF-COSY' . . . 34880 1 3 '2D 1H-13C HSQC' . . . 34880 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 11.927 0.002 . 1 . . 670 . A 1 DG H1 . 34880 1 2 . 1 . 1 1 1 DG H1' H 1 6.128 0.003 . 1 . . 467 . A 1 DG H1' . 34880 1 3 . 1 . 1 1 1 DG H2' H 1 2.904 0.004 . 1 . . 542 . A 1 DG H2' . 34880 1 4 . 1 . 1 1 1 DG H2'' H 1 3.196 0.003 . 1 . . 543 . A 1 DG H2'' . 34880 1 5 . 1 . 1 1 1 DG H3' H 1 4.988 0.004 . 1 . . 626 . A 1 DG H3' . 34880 1 6 . 1 . 1 1 1 DG H8 H 1 7.488 0.002 . 1 . . 468 . A 1 DG H8 . 34880 1 7 . 1 . 1 1 1 DG C5 C 13 119.311 0.017 . 1 . . 675 . A 1 DG C5 . 34880 1 8 . 1 . 1 1 1 DG C8 C 13 141.946 . . 1 . . 601 . A 1 DG C8 . 34880 1 9 . 1 . 1 2 2 DG H1 H 1 11.672 0.004 . 1 . . 665 . A 2 DG H1 . 34880 1 10 . 1 . 1 2 2 DG H1' H 1 5.987 0.003 . 1 . . 466 . A 2 DG H1' . 34880 1 11 . 1 . 1 2 2 DG H2' H 1 2.575 0.006 . 1 . . 553 . A 2 DG H2' . 34880 1 12 . 1 . 1 2 2 DG H2'' H 1 2.908 0.004 . 1 . . 554 . A 2 DG H2'' . 34880 1 13 . 1 . 1 2 2 DG H3' H 1 5.099 0.004 . 1 . . 621 . A 2 DG H3' . 34880 1 14 . 1 . 1 2 2 DG H8 H 1 8.036 0.001 . 1 . . 465 . A 2 DG H8 . 34880 1 15 . 1 . 1 2 2 DG C8 C 13 138.913 . . 1 . . 593 . A 2 DG C8 . 34880 1 16 . 1 . 1 3 3 DG H1 H 1 10.845 0.003 . 1 . . 663 . A 3 DG H1 . 34880 1 17 . 1 . 1 3 3 DG H1' H 1 5.906 0.003 . 1 . . 485 . A 3 DG H1' . 34880 1 18 . 1 . 1 3 3 DG H2' H 1 2.514 0.002 . 1 . . 556 . A 3 DG H2' . 34880 1 19 . 1 . 1 3 3 DG H2'' H 1 2.595 0.003 . 1 . . 557 . A 3 DG H2'' . 34880 1 20 . 1 . 1 3 3 DG H3' H 1 4.995 0.002 . 1 . . 622 . A 3 DG H3' . 34880 1 21 . 1 . 1 3 3 DG H8 H 1 7.711 0.002 . 1 . . 484 . A 3 DG H8 . 34880 1 22 . 1 . 1 3 3 DG C8 C 13 138.056 . . 1 . . 689 . A 3 DG C8 . 34880 1 23 . 1 . 1 4 4 DC H1' H 1 5.929 0.006 . 1 . . 483 . A 4 DC H1' . 34880 1 24 . 1 . 1 4 4 DC H2' H 1 2.035 0.001 . 1 . . 558 . A 4 DC H2' . 34880 1 25 . 1 . 1 4 4 DC H2'' H 1 2.427 0.001 . 1 . . 559 . A 4 DC H2'' . 34880 1 26 . 1 . 1 4 4 DC H3' H 1 4.921 0.002 . 1 . . 643 . A 4 DC H3' . 34880 1 27 . 1 . 1 4 4 DC H5 H 1 5.363 0.002 . 1 . . 459 . A 4 DC H5 . 34880 1 28 . 1 . 1 4 4 DC H6 H 1 7.440 0.002 . 1 . . 473 . A 4 DC H6 . 34880 1 29 . 1 . 1 4 4 DC H41 H 1 8.161 0.001 . 1 . . 458 . A 4 DC H41 . 34880 1 30 . 1 . 1 4 4 DC H42 H 1 6.220 0.002 . 1 . . 460 . A 4 DC H42 . 34880 1 31 . 1 . 1 4 4 DC C6 C 13 142.914 . . 1 . . 608 . A 4 DC C6 . 34880 1 32 . 1 . 1 5 5 DG H1 H 1 12.790 0.002 . 1 . . 661 . A 5 DG H1 . 34880 1 33 . 1 . 1 5 5 DG H1' H 1 5.768 0.002 . 1 . . 479 . A 5 DG H1' . 34880 1 34 . 1 . 1 5 5 DG H2' H 1 2.580 0.004 . 1 . . 545 . A 5 DG H2' . 34880 1 35 . 1 . 1 5 5 DG H2'' H 1 2.659 0.002 . 1 . . 546 . A 5 DG H2'' . 34880 1 36 . 1 . 1 5 5 DG H3' H 1 4.940 0.004 . 1 . . 642 . A 5 DG H3' . 34880 1 37 . 1 . 1 5 5 DG H8 H 1 7.836 0.003 . 1 . . 481 . A 5 DG H8 . 34880 1 38 . 1 . 1 5 5 DG C8 C 13 138.015 . . 1 . . 692 . A 5 DG C8 . 34880 1 39 . 1 . 1 6 6 DC H1' H 1 5.497 0.002 . 1 . . 472 . A 6 DC H1' . 34880 1 40 . 1 . 1 6 6 DC H2' H 1 1.775 0.002 . 1 . . 560 . A 6 DC H2' . 34880 1 41 . 1 . 1 6 6 DC H2'' H 1 2.217 0.002 . 1 . . 561 . A 6 DC H2'' . 34880 1 42 . 1 . 1 6 6 DC H3' H 1 4.739 0.001 . 1 . . 639 . A 6 DC H3' . 34880 1 43 . 1 . 1 6 6 DC H5 H 1 5.320 0.004 . 1 . . 457 . A 6 DC H5 . 34880 1 44 . 1 . 1 6 6 DC H6 H 1 7.170 0.002 . 1 . . 474 . A 6 DC H6 . 34880 1 45 . 1 . 1 6 6 DC H41 H 1 8.240 0.001 . 1 . . 455 . A 6 DC H41 . 34880 1 46 . 1 . 1 6 6 DC H42 H 1 6.315 0.003 . 1 . . 456 . A 6 DC H42 . 34880 1 47 . 1 . 1 6 6 DC C6 C 13 142.151 . . 1 . . 604 . A 6 DC C6 . 34880 1 48 . 1 . 1 7 7 DG H1 H 1 12.695 0.002 . 1 . . 659 . A 7 DG H1 . 34880 1 49 . 1 . 1 7 7 DG H1' H 1 5.341 0.003 . 1 . . 470 . A 7 DG H1' . 34880 1 50 . 1 . 1 7 7 DG H2' H 1 2.575 0.004 . 1 . . 564 . A 7 DG H2' . 34880 1 51 . 1 . 1 7 7 DG H2'' H 1 2.653 0.003 . 1 . . 565 . A 7 DG H2'' . 34880 1 52 . 1 . 1 7 7 DG H3' H 1 4.912 0.001 . 1 . . 644 . A 7 DG H3' . 34880 1 53 . 1 . 1 7 7 DG H8 H 1 7.798 0.002 . 1 . . 471 . A 7 DG H8 . 34880 1 54 . 1 . 1 7 7 DG C8 C 13 138.245 . . 1 . . 691 . A 7 DG C8 . 34880 1 55 . 1 . 1 8 8 DA H1' H 1 5.852 0.003 . 1 . . 478 . A 8 DA H1' . 34880 1 56 . 1 . 1 8 8 DA H2 H 1 7.540 0.002 . 1 . . 650 . A 8 DA H2 . 34880 1 57 . 1 . 1 8 8 DA H2' H 1 2.262 0.002 . 1 . . 568 . A 8 DA H2' . 34880 1 58 . 1 . 1 8 8 DA H2'' H 1 2.578 0.002 . 1 . . 572 . A 8 DA H2'' . 34880 1 59 . 1 . 1 8 8 DA H3' H 1 4.923 0.002 . 1 . . 645 . A 8 DA H3' . 34880 1 60 . 1 . 1 8 8 DA H8 H 1 7.867 0.001 . 1 . . 469 . A 8 DA H8 . 34880 1 61 . 1 . 1 8 8 DA C2 C 13 154.472 . . 1 . . 654 . A 8 DA C2 . 34880 1 62 . 1 . 1 8 8 DA C8 C 13 140.957 . . 1 . . 596 . A 8 DA C8 . 34880 1 63 . 1 . 1 9 9 DA H1' H 1 5.853 0.002 . 1 . . 464 . A 9 DA H1' . 34880 1 64 . 1 . 1 9 9 DA H2 H 1 7.672 0.003 . 1 . . 652 . A 9 DA H2 . 34880 1 65 . 1 . 1 9 9 DA H2' H 1 2.027 0.003 . 1 . . 567 . A 9 DA H2' . 34880 1 66 . 1 . 1 9 9 DA H2'' H 1 2.391 0.001 . 1 . . 569 . A 9 DA H2'' . 34880 1 67 . 1 . 1 9 9 DA H3' H 1 4.852 0.001 . 1 . . 646 . A 9 DA H3' . 34880 1 68 . 1 . 1 9 9 DA H8 H 1 7.420 0.001 . 1 . . 477 . A 9 DA H8 . 34880 1 69 . 1 . 1 9 9 DA C2 C 13 155.016 . . 1 . . 1336 . A 9 DA C2 . 34880 1 70 . 1 . 1 9 9 DA C8 C 13 139.858 . . 1 . . 696 . A 9 DA C8 . 34880 1 71 . 1 . 1 10 10 DG H1' H 1 5.355 0.003 . 1 . . 462 . A 10 DG H1' . 34880 1 72 . 1 . 1 10 10 DG H2' H 1 2.603 0.003 . 1 . . 571 . A 10 DG H2' . 34880 1 73 . 1 . 1 10 10 DG H2'' H 1 2.320 0.002 . 1 . . 570 . A 10 DG H2'' . 34880 1 74 . 1 . 1 10 10 DG H3' H 1 4.788 0.0 . 1 . . 647 . A 10 DG H3' . 34880 1 75 . 1 . 1 10 10 DG H8 H 1 8.020 0.002 . 1 . . 461 . A 10 DG H8 . 34880 1 76 . 1 . 1 10 10 DG C8 C 13 138.968 . . 1 . . 594 . A 10 DG C8 . 34880 1 77 . 1 . 1 11 11 DC H1' H 1 5.670 0.003 . 1 . . 463 . A 11 DC H1' . 34880 1 78 . 1 . 1 11 11 DC H2' H 1 1.569 0.004 . 1 . . 574 . A 11 DC H2' . 34880 1 79 . 1 . 1 11 11 DC H2'' H 1 2.018 0.002 . 1 . . 573 . A 11 DC H2'' . 34880 1 80 . 1 . 1 11 11 DC H3' H 1 4.387 0.001 . 1 . . 648 . A 11 DC H3' . 34880 1 81 . 1 . 1 11 11 DC H5 H 1 5.179 0.002 . 1 . . 476 . A 11 DC H5 . 34880 1 82 . 1 . 1 11 11 DC H6 H 1 7.161 0.003 . 1 . . 475 . A 11 DC H6 . 34880 1 83 . 1 . 1 11 11 DC C6 C 13 143.455 . . 1 . . 605 . A 11 DC C6 . 34880 1 84 . 1 . 1 12 12 DA H1' H 1 6.290 0.002 . 1 . . 451 . A 12 DA H1' . 34880 1 85 . 1 . 1 12 12 DA H2 H 1 8.015 0.002 . 1 . . 655 . A 12 DA H2 . 34880 1 86 . 1 . 1 12 12 DA H2' H 1 2.979 0.002 . 1 . . 541 . A 12 DA H2' . 34880 1 87 . 1 . 1 12 12 DA H2'' H 1 2.920 0.003 . 1 . . 540 . A 12 DA H2'' . 34880 1 88 . 1 . 1 12 12 DA H3' H 1 4.793 0.002 . 1 . . 627 . A 12 DA H3' . 34880 1 89 . 1 . 1 12 12 DA H8 H 1 8.057 0.002 . 1 . . 450 . A 12 DA H8 . 34880 1 90 . 1 . 1 12 12 DA C2 C 13 155.474 . . 1 . . 656 . A 12 DA C2 . 34880 1 91 . 1 . 1 12 12 DA C8 C 13 143.128 . . 1 . . 592 . A 12 DA C8 . 34880 1 92 . 1 . 1 13 13 DT H1' H 1 5.650 0.004 . 1 . . 499 . A 13 DT H1' . 34880 1 93 . 1 . 1 13 13 DT H2' H 1 2.081 0.002 . 1 . . 575 . A 13 DT H2' . 34880 1 94 . 1 . 1 13 13 DT H2'' H 1 2.476 0.002 . 1 . . 576 . A 13 DT H2'' . 34880 1 95 . 1 . 1 13 13 DT H3 H 1 13.282 0.0 . 1 . . 674 . A 13 DT H3 . 34880 1 96 . 1 . 1 13 13 DT H3' H 1 4.736 0.001 . 1 . . 640 . A 13 DT H3' . 34880 1 97 . 1 . 1 13 13 DT H6 H 1 7.377 0.001 . 1 . . 495 . A 13 DT H6 . 34880 1 98 . 1 . 1 13 13 DT H71 H 1 1.808 0.002 . 1 . . 497 . A 13 DT H71 . 34880 1 99 . 1 . 1 13 13 DT H72 H 1 1.808 0.002 . 1 . . 497 . A 13 DT H72 . 34880 1 100 . 1 . 1 13 13 DT H73 H 1 1.808 0.002 . 1 . . 497 . A 13 DT H73 . 34880 1 101 . 1 . 1 13 13 DT C6 C 13 139.349 . . 1 . . 607 . A 13 DT C6 . 34880 1 102 . 1 . 1 14 14 DT H1' H 1 6.018 0.003 . 1 . . 500 . A 14 DT H1' . 34880 1 103 . 1 . 1 14 14 DT H2' H 1 2.151 0.004 . 1 . . 578 . A 14 DT H2' . 34880 1 104 . 1 . 1 14 14 DT H2'' H 1 2.437 0.0 . 1 . . 577 . A 14 DT H2'' . 34880 1 105 . 1 . 1 14 14 DT H3 H 1 13.863 0.003 . 1 . . 651 . A 14 DT H3 . 34880 1 106 . 1 . 1 14 14 DT H3' H 1 4.838 0.002 . 1 . . 641 . A 14 DT H3' . 34880 1 107 . 1 . 1 14 14 DT H6 H 1 7.386 0.001 . 1 . . 498 . A 14 DT H6 . 34880 1 108 . 1 . 1 14 14 DT H71 H 1 1.590 0.002 . 1 . . 496 . A 14 DT H71 . 34880 1 109 . 1 . 1 14 14 DT H72 H 1 1.590 0.002 . 1 . . 496 . A 14 DT H72 . 34880 1 110 . 1 . 1 14 14 DT H73 H 1 1.590 0.002 . 1 . . 496 . A 14 DT H73 . 34880 1 111 . 1 . 1 14 14 DT C6 C 13 139.854 . . 1 . . 687 . A 14 DT C6 . 34880 1 112 . 1 . 1 15 15 DC H1' H 1 5.525 0.002 . 1 . . 490 . A 15 DC H1' . 34880 1 113 . 1 . 1 15 15 DC H2' H 1 1.970 0.003 . 1 . . 579 . A 15 DC H2' . 34880 1 114 . 1 . 1 15 15 DC H2'' H 1 2.265 0.003 . 1 . . 580 . A 15 DC H2'' . 34880 1 115 . 1 . 1 15 15 DC H3' H 1 4.775 0.0 . 1 . . 649 . A 15 DC H3' . 34880 1 116 . 1 . 1 15 15 DC H5 H 1 5.616 0.003 . 1 . . 447 . A 15 DC H5 . 34880 1 117 . 1 . 1 15 15 DC H6 H 1 7.420 0.002 . 1 . . 491 . A 15 DC H6 . 34880 1 118 . 1 . 1 15 15 DC H41 H 1 8.479 0.002 . 1 . . 445 . A 15 DC H41 . 34880 1 119 . 1 . 1 15 15 DC H42 H 1 6.854 0.002 . 1 . . 446 . A 15 DC H42 . 34880 1 120 . 1 . 1 15 15 DC C6 C 13 143.559 . . 1 . . 610 . A 15 DC C6 . 34880 1 121 . 1 . 1 16 16 DG H1 H 1 12.745 0.003 . 1 . . 662 . A 16 DG H1 . 34880 1 122 . 1 . 1 16 16 DG H1' H 1 5.611 0.003 . 1 . . 489 . A 16 DG H1' . 34880 1 123 . 1 . 1 16 16 DG H2' H 1 2.397 0.002 . 1 . . 581 . A 16 DG H2' . 34880 1 124 . 1 . 1 16 16 DG H2'' H 1 2.398 0.001 . 1 . . 582 . A 16 DG H2'' . 34880 1 125 . 1 . 1 16 16 DG H3' H 1 4.784 0.002 . 1 . . 620 . A 16 DG H3' . 34880 1 126 . 1 . 1 16 16 DG H8 H 1 7.708 0.001 . 1 . . 488 . A 16 DG H8 . 34880 1 127 . 1 . 1 16 16 DG C8 C 13 138.047 . . 1 . . 695 . A 16 DG C8 . 34880 1 128 . 1 . 1 17 17 DC H1' H 1 5.498 0.002 . 1 . . 493 . A 17 DC H1' . 34880 1 129 . 1 . 1 17 17 DC H2' H 1 1.591 0.003 . 1 . . 563 . A 17 DC H2' . 34880 1 130 . 1 . 1 17 17 DC H2'' H 1 2.041 0.003 . 1 . . 562 . A 17 DC H2'' . 34880 1 131 . 1 . 1 17 17 DC H3' H 1 4.545 . . 1 . . 638 . A 17 DC H3' . 34880 1 132 . 1 . 1 17 17 DC H5 H 1 5.120 0.002 . 1 . . 525 . A 17 DC H5 . 34880 1 133 . 1 . 1 17 17 DC H6 H 1 7.011 0.002 . 1 . . 501 . A 17 DC H6 . 34880 1 134 . 1 . 1 17 17 DC H41 H 1 7.991 0.001 . 1 . . 524 . A 17 DC H41 . 34880 1 135 . 1 . 1 17 17 DC H42 H 1 5.995 0.003 . 1 . . 502 . A 17 DC H42 . 34880 1 136 . 1 . 1 17 17 DC C6 C 13 142.825 . . 1 . . 603 . A 17 DC C6 . 34880 1 137 . 1 . 1 18 18 DG H1 H 1 13.102 0.002 . 1 . . 660 . A 18 DG H1 . 34880 1 138 . 1 . 1 18 18 DG H1' H 1 5.668 0.001 . 1 . . 494 . A 18 DG H1' . 34880 1 139 . 1 . 1 18 18 DG H2' H 1 2.371 0.002 . 1 . . 530 . A 18 DG H2' . 34880 1 140 . 1 . 1 18 18 DG H2'' H 1 2.797 0.0 . 1 . . 531 . A 18 DG H2'' . 34880 1 141 . 1 . 1 18 18 DG H3' H 1 4.838 . . 1 . . 637 . A 18 DG H3' . 34880 1 142 . 1 . 1 18 18 DG H8 H 1 7.490 0.002 . 1 . . 492 . A 18 DG H8 . 34880 1 143 . 1 . 1 18 18 DG C5 C 13 117.214 . . 1 . . 615 . A 18 DG C5 . 34880 1 144 . 1 . 1 18 18 DG C8 C 13 137.640 . . 1 . . 599 . A 18 DG C8 . 34880 1 145 . 1 . 1 19 19 DG H1 H 1 11.003 0.003 . 1 . . 673 . A 19 DG H1 . 34880 1 146 . 1 . 1 19 19 DG H1' H 1 5.909 0.003 . 1 . . 516 . A 19 DG H1' . 34880 1 147 . 1 . 1 19 19 DG H2' H 1 3.041 0.002 . 1 . . 584 . A 19 DG H2' . 34880 1 148 . 1 . 1 19 19 DG H2'' H 1 2.769 0.003 . 1 . . 583 . A 19 DG H2'' . 34880 1 149 . 1 . 1 19 19 DG H3' H 1 4.843 0.002 . 1 . . 636 . A 19 DG H3' . 34880 1 150 . 1 . 1 19 19 DG H8 H 1 7.247 0.003 . 1 . . 515 . A 19 DG H8 . 34880 1 151 . 1 . 1 19 19 DG C5 C 13 118.105 0.006 . 1 . . 681 . A 19 DG C5 . 34880 1 152 . 1 . 1 19 19 DG C8 C 13 141.946 . . 1 . . 602 . A 19 DG C8 . 34880 1 153 . 1 . 1 20 20 DG H1 H 1 11.098 0.002 . 1 . . 672 . A 20 DG H1 . 34880 1 154 . 1 . 1 20 20 DG H1' H 1 5.682 0.003 . 1 . . 487 . A 20 DG H1' . 34880 1 155 . 1 . 1 20 20 DG H2' H 1 2.648 0.001 . 1 . . 585 . A 20 DG H2' . 34880 1 156 . 1 . 1 20 20 DG H2'' H 1 2.492 0.003 . 1 . . 586 . A 20 DG H2'' . 34880 1 157 . 1 . 1 20 20 DG H3' H 1 4.938 0.002 . 1 . . 623 . A 20 DG H3' . 34880 1 158 . 1 . 1 20 20 DG H8 H 1 7.195 0.004 . 1 . . 517 . A 20 DG H8 . 34880 1 159 . 1 . 1 20 20 DG C5 C 13 118.383 0.022 . 1 . . 678 . A 20 DG C5 . 34880 1 160 . 1 . 1 20 20 DG C8 C 13 141.076 . . 1 . . 606 . A 20 DG C8 . 34880 1 161 . 1 . 1 21 21 DG H1 H 1 11.174 0.004 . 1 . . 612 . A 21 DG H1 . 34880 1 162 . 1 . 1 21 21 DG H1' H 1 5.908 0.004 . 1 . . 518 . A 21 DG H1' . 34880 1 163 . 1 . 1 21 21 DG H2' H 1 2.587 0.005 . 1 . . 588 . A 21 DG H2' . 34880 1 164 . 1 . 1 21 21 DG H2'' H 1 2.506 0.003 . 1 . . 589 . A 21 DG H2'' . 34880 1 165 . 1 . 1 21 21 DG H3' H 1 5.090 0.002 . 1 . . 624 . A 21 DG H3' . 34880 1 166 . 1 . 1 21 21 DG H8 H 1 7.762 0.002 . 1 . . 486 . A 21 DG H8 . 34880 1 167 . 1 . 1 21 21 DG C5 C 13 116.619 0.009 . 1 . . 611 . A 21 DG C5 . 34880 1 168 . 1 . 1 21 21 DG C8 C 13 138.035 . . 1 . . 688 . A 21 DG C8 . 34880 1 169 . 1 . 1 22 22 DT H1' H 1 6.280 0.003 . 1 . . 504 . A 22 DT H1' . 34880 1 170 . 1 . 1 22 22 DT H2' H 1 2.299 0.005 . 1 . . 539 . A 22 DT H2' . 34880 1 171 . 1 . 1 22 22 DT H2'' H 1 2.502 0.004 . 1 . . 538 . A 22 DT H2'' . 34880 1 172 . 1 . 1 22 22 DT H3' H 1 4.844 0.002 . 1 . . 634 . A 22 DT H3' . 34880 1 173 . 1 . 1 22 22 DT H6 H 1 7.833 0.002 . 1 . . 503 . A 22 DT H6 . 34880 1 174 . 1 . 1 22 22 DT H71 H 1 1.959 . . 1 . . 507 . A 22 DT H71 . 34880 1 175 . 1 . 1 22 22 DT H72 H 1 1.959 . . 1 . . 507 . A 22 DT H72 . 34880 1 176 . 1 . 1 22 22 DT H73 H 1 1.959 . . 1 . . 507 . A 22 DT H73 . 34880 1 177 . 1 . 1 22 22 DT C6 C 13 140.055 . . 1 . . 598 . A 22 DT C6 . 34880 1 178 . 1 . 1 23 23 DT H1' H 1 5.778 0.003 . 1 . . 480 . A 23 DT H1' . 34880 1 179 . 1 . 1 23 23 DT H2' H 1 1.204 0.002 . 1 . . 449 . A 23 DT H2' . 34880 1 180 . 1 . 1 23 23 DT H2'' H 1 1.766 0.002 . 1 . . 544 . A 23 DT H2'' . 34880 1 181 . 1 . 1 23 23 DT H3' H 1 4.611 0.001 . 1 . . 633 . A 23 DT H3' . 34880 1 182 . 1 . 1 23 23 DT H6 H 1 7.225 0.002 . 1 . . 505 . A 23 DT H6 . 34880 1 183 . 1 . 1 23 23 DT H71 H 1 1.599 0.004 . 1 . . 506 . A 23 DT H71 . 34880 1 184 . 1 . 1 23 23 DT H72 H 1 1.599 0.004 . 1 . . 506 . A 23 DT H72 . 34880 1 185 . 1 . 1 23 23 DT H73 H 1 1.599 0.004 . 1 . . 506 . A 23 DT H73 . 34880 1 186 . 1 . 1 23 23 DT C6 C 13 138.633 . . 1 . . 685 . A 23 DT C6 . 34880 1 187 . 1 . 1 24 24 DA H1' H 1 5.854 0.003 . 1 . . 482 . A 24 DA H1' . 34880 1 188 . 1 . 1 24 24 DA H2 H 1 7.689 0.002 . 1 . . 658 . A 24 DA H2 . 34880 1 189 . 1 . 1 24 24 DA H2' H 1 2.689 0.004 . 1 . . 566 . A 24 DA H2' . 34880 1 190 . 1 . 1 24 24 DA H2'' H 1 2.694 0.004 . 1 . . 619 . A 24 DA H2'' . 34880 1 191 . 1 . 1 24 24 DA H3' H 1 4.926 . . 1 . . 635 . A 24 DA H3' . 34880 1 192 . 1 . 1 24 24 DA H8 H 1 7.887 0.001 . 1 . . 448 . A 24 DA H8 . 34880 1 193 . 1 . 1 24 24 DA C2 C 13 155.410 . . 1 . . 657 . A 24 DA C2 . 34880 1 194 . 1 . 1 24 24 DA C8 C 13 141.182 . . 1 . . 595 . A 24 DA C8 . 34880 1 195 . 1 . 1 25 25 DG H1 H 1 11.017 0.003 . 1 . . 671 . A 25 DG H1 . 34880 1 196 . 1 . 1 25 25 DG H1' H 1 6.078 0.002 . 1 . . 521 . A 25 DG H1' . 34880 1 197 . 1 . 1 25 25 DG H2' H 1 3.429 0.002 . 1 . . 552 . A 25 DG H2' . 34880 1 198 . 1 . 1 25 25 DG H2'' H 1 3.001 0.002 . 1 . . 551 . A 25 DG H2'' . 34880 1 199 . 1 . 1 25 25 DG H3' H 1 4.912 0.001 . 1 . . 632 . A 25 DG H3' . 34880 1 200 . 1 . 1 25 25 DG H8 H 1 7.492 0.002 . 1 . . 522 . A 25 DG H8 . 34880 1 201 . 1 . 1 25 25 DG C5 C 13 118.662 . . 1 . . 684 . A 25 DG C5 . 34880 1 202 . 1 . 1 25 25 DG C8 C 13 142.482 . . 1 . . 600 . A 25 DG C8 . 34880 1 203 . 1 . 1 26 26 DG H1 H 1 11.395 0.004 . 1 . . 667 . A 26 DG H1 . 34880 1 204 . 1 . 1 26 26 DG H1' H 1 6.035 0.004 . 1 . . 519 . A 26 DG H1' . 34880 1 205 . 1 . 1 26 26 DG H2' H 1 2.507 0.005 . 1 . . 590 . A 26 DG H2' . 34880 1 206 . 1 . 1 26 26 DG H2'' H 1 2.919 0.003 . 1 . . 587 . A 26 DG H2'' . 34880 1 207 . 1 . 1 26 26 DG H3' H 1 5.002 0.003 . 1 . . 631 . A 26 DG H3' . 34880 1 208 . 1 . 1 26 26 DG H8 H 1 7.822 0.002 . 1 . . 520 . A 26 DG H8 . 34880 1 209 . 1 . 1 26 26 DG C5 C 13 116.620 0.001 . 1 . . 677 . A 26 DG C5 . 34880 1 210 . 1 . 1 26 26 DG C8 C 13 138.247 . . 1 . . 694 . A 26 DG C8 . 34880 1 211 . 1 . 1 27 27 DG H1 H 1 11.017 0.003 . 1 . . 666 . A 27 DG H1 . 34880 1 212 . 1 . 1 27 27 DG H1' H 1 6.487 0.002 . 1 . . 512 . A 27 DG H1' . 34880 1 213 . 1 . 1 27 27 DG H2' H 1 2.669 0.002 . 1 . . 532 . A 27 DG H2' . 34880 1 214 . 1 . 1 27 27 DG H2'' H 1 2.671 0.001 . 1 . . 533 . A 27 DG H2'' . 34880 1 215 . 1 . 1 27 27 DG H3' H 1 5.130 0.002 . 1 . . 527 . A 27 DG H3' . 34880 1 216 . 1 . 1 27 27 DG H4' H 1 4.707 0.001 . 1 . . 529 . A 27 DG H4' . 34880 1 217 . 1 . 1 27 27 DG H8 H 1 7.700 0.002 . 1 . . 511 . A 27 DG H8 . 34880 1 218 . 1 . 1 27 27 DG C8 C 13 138.849 . . 1 . . 686 . A 27 DG C8 . 34880 1 219 . 1 . 1 28 28 DT H1' H 1 6.521 0.002 . 1 . . 625 . A 28 DT H1' . 34880 1 220 . 1 . 1 28 28 DT H2' H 1 2.428 0.002 . 1 . . 534 . A 28 DT H2' . 34880 1 221 . 1 . 1 28 28 DT H2'' H 1 2.756 0.001 . 1 . . 535 . A 28 DT H2'' . 34880 1 222 . 1 . 1 28 28 DT H3' H 1 5.132 0.002 . 1 . . 526 . A 28 DT H3' . 34880 1 223 . 1 . 1 28 28 DT H4' H 1 4.787 0.001 . 1 . . 528 . A 28 DT H4' . 34880 1 224 . 1 . 1 28 28 DT H6 H 1 7.887 0.002 . 1 . . 508 . A 28 DT H6 . 34880 1 225 . 1 . 1 28 28 DT H71 H 1 1.994 0.001 . 1 . . 510 . A 28 DT H71 . 34880 1 226 . 1 . 1 28 28 DT H72 H 1 1.994 0.001 . 1 . . 510 . A 28 DT H72 . 34880 1 227 . 1 . 1 28 28 DT H73 H 1 1.994 0.001 . 1 . . 510 . A 28 DT H73 . 34880 1 228 . 1 . 1 28 28 DT C6 C 13 139.920 . . 1 . . 597 . A 28 DT C6 . 34880 1 229 . 1 . 1 29 29 DG H1 H 1 11.730 0.002 . 1 . . 613 . A 29 DG H1 . 34880 1 230 . 1 . 1 29 29 DG H1' H 1 6.052 0.001 . 1 . . 454 . A 29 DG H1' . 34880 1 231 . 1 . 1 29 29 DG H2' H 1 2.963 0.004 . 1 . . 549 . A 29 DG H2' . 34880 1 232 . 1 . 1 29 29 DG H2'' H 1 3.077 0.002 . 1 . . 550 . A 29 DG H2'' . 34880 1 233 . 1 . 1 29 29 DG H3' H 1 5.119 0.001 . 1 . . 629 . A 29 DG H3' . 34880 1 234 . 1 . 1 29 29 DG H8 H 1 7.430 0.002 . 1 . . 523 . A 29 DG H8 . 34880 1 235 . 1 . 1 29 29 DG C5 C 13 119.107 0.024 . 1 . . 676 . A 29 DG C5 . 34880 1 236 . 1 . 1 29 29 DG C8 C 13 141.818 . . 1 . . 609 . A 29 DG C8 . 34880 1 237 . 1 . 1 30 30 DG H1 H 1 11.685 0.003 . 1 . . 617 . A 30 DG H1 . 34880 1 238 . 1 . 1 30 30 DG H1' H 1 5.946 0.003 . 1 . . 453 . A 30 DG H1' . 34880 1 239 . 1 . 1 30 30 DG H2' H 1 2.669 0.002 . 1 . . 547 . A 30 DG H2' . 34880 1 240 . 1 . 1 30 30 DG H2'' H 1 2.754 0.002 . 1 . . 548 . A 30 DG H2'' . 34880 1 241 . 1 . 1 30 30 DG H3' H 1 5.117 0.002 . 1 . . 628 . A 30 DG H3' . 34880 1 242 . 1 . 1 30 30 DG H8 H 1 8.167 0.002 . 1 . . 452 . A 30 DG H8 . 34880 1 243 . 1 . 1 30 30 DG C5 C 13 116.728 0.001 . 1 . . 618 . A 30 DG C5 . 34880 1 244 . 1 . 1 30 30 DG C8 C 13 139.492 . . 1 . . 591 . A 30 DG C8 . 34880 1 245 . 1 . 1 31 31 DG H1 H 1 11.421 0.003 . 1 . . 616 . A 31 DG H1 . 34880 1 246 . 1 . 1 31 31 DG H1' H 1 6.418 0.002 . 1 . . 514 . A 31 DG H1' . 34880 1 247 . 1 . 1 31 31 DG H2' H 1 2.559 0.004 . 1 . . 537 . A 31 DG H2' . 34880 1 248 . 1 . 1 31 31 DG H2'' H 1 2.483 0.001 . 1 . . 536 . A 31 DG H2'' . 34880 1 249 . 1 . 1 31 31 DG H3' H 1 4.698 0.001 . 1 . . 630 . A 31 DG H3' . 34880 1 250 . 1 . 1 31 31 DG H8 H 1 7.820 0.001 . 1 . . 513 . A 31 DG H8 . 34880 1 251 . 1 . 1 31 31 DG C5 C 13 117.213 0.0 . 1 . . 614 . A 31 DG C5 . 34880 1 252 . 1 . 1 31 31 DG C8 C 13 138.252 . . 1 . . 693 . A 31 DG C8 . 34880 1 stop_ save_