################################### # 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 34525 _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 '2D 1H-1H NOESY = 300 ms and 80 ms mixing time' _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' . . . 34525 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 11.970 0.001 . 1 . . 464 . A 1 DG H1 . 34525 1 2 . 1 . 1 1 1 DG H1' H 1 5.401 0.002 . 1 . . 502 . A 1 DG H1' . 34525 1 3 . 1 . 1 1 1 DG H2' H 1 1.831 0.002 . 1 . . 504 . A 1 DG H2' . 34525 1 4 . 1 . 1 1 1 DG H2'' H 1 2.315 0.005 . 1 . . 505 . A 1 DG H2'' . 34525 1 5 . 1 . 1 1 1 DG H3' H 1 4.512 0.001 . 1 . . 775 . A 1 DG H3' . 34525 1 6 . 1 . 1 1 1 DG H8 H 1 7.139 0.002 . 1 . . 503 . A 1 DG H8 . 34525 1 7 . 1 . 1 2 2 DA H1' H 1 6.058 0.002 . 1 . . 495 . A 2 DA H1' . 34525 1 8 . 1 . 1 2 2 DA H2 H 1 7.599 0.001 . 1 . . 562 . A 2 DA H2 . 34525 1 9 . 1 . 1 2 2 DA H2' H 1 2.559 0.003 . 1 . . 716 . A 2 DA H2' . 34525 1 10 . 1 . 1 2 2 DA H2'' H 1 2.822 0.001 . 1 . . 717 . A 2 DA H2'' . 34525 1 11 . 1 . 1 2 2 DA H3' H 1 4.752 0.001 . 1 . . 776 . A 2 DA H3' . 34525 1 12 . 1 . 1 2 2 DA H8 H 1 8.059 0.001 . 1 . . 496 . A 2 DA H8 . 34525 1 13 . 1 . 1 3 3 DT H1' H 1 5.851 0.001 . 1 . . 493 . A 3 DT H1' . 34525 1 14 . 1 . 1 3 3 DT H2' H 1 1.942 . . 1 . . 721 . A 3 DT H2' . 34525 1 15 . 1 . 1 3 3 DT H2'' H 1 2.379 0.0 . 1 . . 720 . A 3 DT H2'' . 34525 1 16 . 1 . 1 3 3 DT H3 H 1 13.361 0.004 . 1 . . 559 . A 3 DT H3 . 34525 1 17 . 1 . 1 3 3 DT H3' H 1 4.799 0.001 . 1 . . 777 . A 3 DT H3' . 34525 1 18 . 1 . 1 3 3 DT H6 H 1 7.029 0.002 . 1 . . 494 . A 3 DT H6 . 34525 1 19 . 1 . 1 3 3 DT H71 H 1 1.153 0.003 . 1 . . 700 . A 3 DT H71 . 34525 1 20 . 1 . 1 3 3 DT H72 H 1 1.153 0.003 . 1 . . 700 . A 3 DT H72 . 34525 1 21 . 1 . 1 3 3 DT H73 H 1 1.153 0.003 . 1 . . 700 . A 3 DT H73 . 34525 1 22 . 1 . 1 4 4 DC H1' H 1 5.371 0.002 . 1 . . 490 . A 4 DC H1' . 34525 1 23 . 1 . 1 4 4 DC H2' H 1 1.962 0.001 . 1 . . 703 . A 4 DC H2' . 34525 1 24 . 1 . 1 4 4 DC H2'' H 1 2.291 0.004 . 1 . . 704 . A 4 DC H2'' . 34525 1 25 . 1 . 1 4 4 DC H3' H 1 4.800 . . 1 . . 778 . A 4 DC H3' . 34525 1 26 . 1 . 1 4 4 DC H5 H 1 5.539 0.001 . 1 . . 492 . A 4 DC H5 . 34525 1 27 . 1 . 1 4 4 DC H6 H 1 7.415 0.002 . 1 . . 491 . A 4 DC H6 . 34525 1 28 . 1 . 1 4 4 DC H41 H 1 8.328 0.001 . 1 . . 553 . A 4 DC H41 . 34525 1 29 . 1 . 1 4 4 DC H42 H 1 6.644 . . 1 . . 809 . A 4 DC H42 . 34525 1 30 . 1 . 1 5 5 DA H1' H 1 6.000 0.001 . 1 . . 488 . A 5 DA H1' . 34525 1 31 . 1 . 1 5 5 DA H2 H 1 7.545 . . 1 . . 810 . A 5 DA H2 . 34525 1 32 . 1 . 1 5 5 DA H2' H 1 2.757 0.001 . 1 . . 705 . A 5 DA H2' . 34525 1 33 . 1 . 1 5 5 DA H2'' H 1 2.836 0.005 . 1 . . 706 . A 5 DA H2'' . 34525 1 34 . 1 . 1 5 5 DA H3' H 1 5.014 0.0 . 1 . . 779 . A 5 DA H3' . 34525 1 35 . 1 . 1 5 5 DA H8 H 1 8.179 0.001 . 1 . . 489 . A 5 DA H8 . 34525 1 36 . 1 . 1 6 6 DG H1 H 1 12.788 0.003 . 1 . . 557 . A 6 DG H1 . 34525 1 37 . 1 . 1 6 6 DG H1' H 1 5.787 0.001 . 1 . . 486 . A 6 DG H1' . 34525 1 38 . 1 . 1 6 6 DG H2' H 1 2.388 0.0 . 1 . . 725 . A 6 DG H2' . 34525 1 39 . 1 . 1 6 6 DG H2'' H 1 2.569 0.002 . 1 . . 724 . A 6 DG H2'' . 34525 1 40 . 1 . 1 6 6 DG H3' H 1 4.786 0.001 . 1 . . 780 . A 6 DG H3' . 34525 1 41 . 1 . 1 6 6 DG H8 H 1 7.534 0.001 . 1 . . 487 . A 6 DG H8 . 34525 1 42 . 1 . 1 7 7 DT H1' H 1 6.032 0.001 . 1 . . 484 . A 7 DT H1' . 34525 1 43 . 1 . 1 7 7 DT H2' H 1 1.982 . . 1 . . 727 . A 7 DT H2' . 34525 1 44 . 1 . 1 7 7 DT H2'' H 1 2.101 0.002 . 1 . . 726 . A 7 DT H2'' . 34525 1 45 . 1 . 1 7 7 DT H3' H 1 4.790 0.003 . 1 . . 781 . A 7 DT H3' . 34525 1 46 . 1 . 1 7 7 DT H6 H 1 7.203 0.002 . 1 . . 485 . A 7 DT H6 . 34525 1 47 . 1 . 1 7 7 DT H71 H 1 1.302 0.002 . 1 . . 695 . A 7 DT H71 . 34525 1 48 . 1 . 1 7 7 DT H72 H 1 1.302 0.002 . 1 . . 695 . A 7 DT H72 . 34525 1 49 . 1 . 1 7 7 DT H73 H 1 1.302 0.002 . 1 . . 695 . A 7 DT H73 . 34525 1 50 . 1 . 1 8 8 DT H1' H 1 6.285 0.002 . 1 . . 482 . A 8 DT H1' . 34525 1 51 . 1 . 1 8 8 DT H2' H 1 1.955 0.003 . 1 . . 728 . A 8 DT H2' . 34525 1 52 . 1 . 1 8 8 DT H2'' H 1 2.327 0.002 . 1 . . 729 . A 8 DT H2'' . 34525 1 53 . 1 . 1 8 8 DT H3' H 1 4.752 . . 1 . . 782 . A 8 DT H3' . 34525 1 54 . 1 . 1 8 8 DT H6 H 1 7.767 0.001 . 1 . . 483 . A 8 DT H6 . 34525 1 55 . 1 . 1 8 8 DT H71 H 1 1.907 . . 1 . . 699 . A 8 DT H71 . 34525 1 56 . 1 . 1 8 8 DT H72 H 1 1.907 . . 1 . . 699 . A 8 DT H72 . 34525 1 57 . 1 . 1 8 8 DT H73 H 1 1.907 . . 1 . . 699 . A 8 DT H73 . 34525 1 58 . 1 . 1 9 9 DT H1' H 1 5.526 0.003 . 1 . . 480 . A 9 DT H1' . 34525 1 59 . 1 . 1 9 9 DT H2' H 1 1.832 0.001 . 1 . . 731 . A 9 DT H2' . 34525 1 60 . 1 . 1 9 9 DT H2'' H 1 2.114 . . 1 . . 730 . A 9 DT H2'' . 34525 1 61 . 1 . 1 9 9 DT H3' H 1 4.529 0.002 . 1 . . 783 . A 9 DT H3' . 34525 1 62 . 1 . 1 9 9 DT H6 H 1 7.483 0.001 . 1 . . 481 . A 9 DT H6 . 34525 1 63 . 1 . 1 9 9 DT H71 H 1 1.623 0.003 . 1 . . 698 . A 9 DT H71 . 34525 1 64 . 1 . 1 9 9 DT H72 H 1 1.623 0.003 . 1 . . 698 . A 9 DT H72 . 34525 1 65 . 1 . 1 9 9 DT H73 H 1 1.623 0.003 . 1 . . 698 . A 9 DT H73 . 34525 1 66 . 1 . 1 10 10 DT H1' H 1 5.952 0.001 . 1 . . 472 . A 10 DT H1' . 34525 1 67 . 1 . 1 10 10 DT H2' H 1 2.095 0.002 . 1 . . 715 . A 10 DT H2' . 34525 1 68 . 1 . 1 10 10 DT H2'' H 1 2.311 0.001 . 1 . . 714 . A 10 DT H2'' . 34525 1 69 . 1 . 1 10 10 DT H3' H 1 4.644 0.001 . 1 . . 713 . A 10 DT H3' . 34525 1 70 . 1 . 1 10 10 DT H6 H 1 7.356 0.001 . 1 . . 479 . A 10 DT H6 . 34525 1 71 . 1 . 1 10 10 DT H71 H 1 1.672 . . 1 . . 696 . A 10 DT H71 . 34525 1 72 . 1 . 1 10 10 DT H72 H 1 1.672 . . 1 . . 696 . A 10 DT H72 . 34525 1 73 . 1 . 1 10 10 DT H73 H 1 1.672 . . 1 . . 696 . A 10 DT H73 . 34525 1 74 . 1 . 1 11 11 DA H1' H 1 6.364 0.002 . 1 . . 470 . A 11 DA H1' . 34525 1 75 . 1 . 1 11 11 DA H2' H 1 2.767 0.004 . 1 . . 707 . A 11 DA H2' . 34525 1 76 . 1 . 1 11 11 DA H2'' H 1 2.977 0.003 . 1 . . 708 . A 11 DA H2'' . 34525 1 77 . 1 . 1 11 11 DA H3' H 1 4.883 0.001 . 1 . . 712 . A 11 DA H3' . 34525 1 78 . 1 . 1 11 11 DA H8 H 1 8.352 0.001 . 1 . . 471 . A 11 DA H8 . 34525 1 79 . 1 . 1 12 12 DC H1' H 1 6.091 0.001 . 1 . . 499 . A 12 DC H1' . 34525 1 80 . 1 . 1 12 12 DC H2' H 1 1.862 0.001 . 1 . . 733 . A 12 DC H2' . 34525 1 81 . 1 . 1 12 12 DC H2'' H 1 2.564 0.0 . 1 . . 732 . A 12 DC H2'' . 34525 1 82 . 1 . 1 12 12 DC H3' H 1 4.681 . . 1 . . 784 . A 12 DC H3' . 34525 1 83 . 1 . 1 12 12 DC H5 H 1 5.178 0.003 . 1 . . 498 . A 12 DC H5 . 34525 1 84 . 1 . 1 12 12 DC H6 H 1 7.271 0.002 . 1 . . 497 . A 12 DC H6 . 34525 1 85 . 1 . 1 12 12 DC H41 H 1 6.573 . . 1 . . 555 . A 12 DC H41 . 34525 1 86 . 1 . 1 12 12 DC H42 H 1 7.973 0.001 . 1 . . 556 . A 12 DC H42 . 34525 1 87 . 1 . 1 13 13 DT H1' H 1 5.809 0.001 . 1 . . 501 . A 13 DT H1' . 34525 1 88 . 1 . 1 13 13 DT H2' H 1 1.780 0.002 . 1 . . 735 . A 13 DT H2' . 34525 1 89 . 1 . 1 13 13 DT H2'' H 1 2.232 0.003 . 1 . . 734 . A 13 DT H2'' . 34525 1 90 . 1 . 1 13 13 DT H3 H 1 13.774 0.002 . 1 . . 561 . A 13 DT H3 . 34525 1 91 . 1 . 1 13 13 DT H3' H 1 4.794 . . 1 . . 785 . A 13 DT H3' . 34525 1 92 . 1 . 1 13 13 DT H6 H 1 7.150 0.002 . 1 . . 500 . A 13 DT H6 . 34525 1 93 . 1 . 1 13 13 DT H71 H 1 1.467 0.002 . 1 . . 694 . A 13 DT H71 . 34525 1 94 . 1 . 1 13 13 DT H72 H 1 1.467 0.002 . 1 . . 694 . A 13 DT H72 . 34525 1 95 . 1 . 1 13 13 DT H73 H 1 1.467 0.002 . 1 . . 694 . A 13 DT H73 . 34525 1 96 . 1 . 1 14 14 DG H1 H 1 12.450 0.002 . 1 . . 554 . A 14 DG H1 . 34525 1 97 . 1 . 1 14 14 DG H1' H 1 5.386 0.003 . 1 . . 507 . A 14 DG H1' . 34525 1 98 . 1 . 1 14 14 DG H2' H 1 2.668 . . 1 . . 741 . A 14 DG H2' . 34525 1 99 . 1 . 1 14 14 DG H2'' H 1 2.670 . . 1 . . 736 . A 14 DG H2'' . 34525 1 100 . 1 . 1 14 14 DG H3' H 1 4.950 0.0 . 1 . . 786 . A 14 DG H3' . 34525 1 101 . 1 . 1 14 14 DG H8 H 1 7.854 0.004 . 1 . . 506 . A 14 DG H8 . 34525 1 102 . 1 . 1 15 15 DA H1' H 1 6.201 0.003 . 1 . . 509 . A 15 DA H1' . 34525 1 103 . 1 . 1 15 15 DA H2 H 1 7.663 0.0 . 1 . . 558 . A 15 DA H2 . 34525 1 104 . 1 . 1 15 15 DA H2' H 1 2.597 0.003 . 1 . . 742 . A 15 DA H2' . 34525 1 105 . 1 . 1 15 15 DA H2'' H 1 2.878 0.001 . 1 . . 743 . A 15 DA H2'' . 34525 1 106 . 1 . 1 15 15 DA H3' H 1 4.949 . . 1 . . 787 . A 15 DA H3' . 34525 1 107 . 1 . 1 15 15 DA H8 H 1 8.160 0.002 . 1 . . 508 . A 15 DA H8 . 34525 1 108 . 1 . 1 16 16 DT H1' H 1 5.856 0.002 . 1 . . 511 . A 16 DT H1' . 34525 1 109 . 1 . 1 16 16 DT H2' H 1 2.016 0.0 . 1 . . 745 . A 16 DT H2' . 34525 1 110 . 1 . 1 16 16 DT H2'' H 1 2.440 0.001 . 1 . . 744 . A 16 DT H2'' . 34525 1 111 . 1 . 1 16 16 DT H3 H 1 13.978 . . 1 . . 560 . A 16 DT H3 . 34525 1 112 . 1 . 1 16 16 DT H3' H 1 4.801 0.002 . 1 . . 788 . A 16 DT H3' . 34525 1 113 . 1 . 1 16 16 DT H6 H 1 7.091 0.003 . 1 . . 510 . A 16 DT H6 . 34525 1 114 . 1 . 1 16 16 DT H71 H 1 1.299 0.003 . 1 . . 693 . A 16 DT H71 . 34525 1 115 . 1 . 1 16 16 DT H72 H 1 1.299 0.003 . 1 . . 693 . A 16 DT H72 . 34525 1 116 . 1 . 1 16 16 DT H73 H 1 1.299 0.003 . 1 . . 693 . A 16 DT H73 . 34525 1 117 . 1 . 1 17 17 DC H1' H 1 5.934 . . 1 . . 522 . A 17 DC H1' . 34525 1 118 . 1 . 1 17 17 DC H2' H 1 2.280 0.003 . 1 . . 748 . A 17 DC H2' . 34525 1 119 . 1 . 1 17 17 DC H2'' H 1 2.397 0.003 . 1 . . 746 . A 17 DC H2'' . 34525 1 120 . 1 . 1 17 17 DC H3' H 1 4.892 0.001 . 1 . . 789 . A 17 DC H3' . 34525 1 121 . 1 . 1 17 17 DC H5 H 1 5.216 0.004 . 1 . . 512 . A 17 DC H5 . 34525 1 122 . 1 . 1 17 17 DC H6 H 1 7.338 0.002 . 1 . . 513 . A 17 DC H6 . 34525 1 123 . 1 . 1 18 18 DG H1 H 1 11.632 0.002 . 1 . . 514 . A 18 DG H1 . 34525 1 124 . 1 . 1 18 18 DG H1' H 1 6.102 0.001 . 1 . . 523 . A 18 DG H1' . 34525 1 125 . 1 . 1 18 18 DG H2' H 1 2.631 0.003 . 1 . . 747 . A 18 DG H2' . 34525 1 126 . 1 . 1 18 18 DG H2'' H 1 2.943 0.004 . 1 . . 548 . A 18 DG H2'' . 34525 1 127 . 1 . 1 18 18 DG H3' H 1 4.998 . . 1 . . 790 . A 18 DG H3' . 34525 1 128 . 1 . 1 18 18 DG H8 H 1 7.986 0.002 . 1 . . 519 . A 18 DG H8 . 34525 1 129 . 1 . 1 19 19 DG H1 H 1 11.321 0.004 . 1 . . 469 . A 19 DG H1 . 34525 1 130 . 1 . 1 19 19 DG H1' H 1 6.219 0.002 . 1 . . 749 . A 19 DG H1' . 34525 1 131 . 1 . 1 19 19 DG H2' H 1 2.590 0.0 . 1 . . 753 . A 19 DG H2' . 34525 1 132 . 1 . 1 19 19 DG H2'' H 1 2.887 0.004 . 1 . . 750 . A 19 DG H2'' . 34525 1 133 . 1 . 1 19 19 DG H3' H 1 5.037 . . 1 . . 791 . A 19 DG H3' . 34525 1 134 . 1 . 1 19 19 DG H8 H 1 7.749 0.003 . 1 . . 520 . A 19 DG H8 . 34525 1 135 . 1 . 1 20 20 DG H1 H 1 10.912 0.003 . 1 . . 468 . A 20 DG H1 . 34525 1 136 . 1 . 1 20 20 DG H1' H 1 6.411 0.001 . 1 . . 551 . A 20 DG H1' . 34525 1 137 . 1 . 1 20 20 DG H2' H 1 2.721 . . 1 . . 752 . A 20 DG H2' . 34525 1 138 . 1 . 1 20 20 DG H2'' H 1 2.566 . . 1 . . 751 . A 20 DG H2'' . 34525 1 139 . 1 . 1 20 20 DG H3' H 1 5.115 . . 1 . . 792 . A 20 DG H3' . 34525 1 140 . 1 . 1 20 20 DG H8 H 1 7.746 0.0 . 1 . . 552 . A 20 DG H8 . 34525 1 141 . 1 . 1 21 21 DT H1' H 1 6.515 0.002 . 1 . . 545 . A 21 DT H1' . 34525 1 142 . 1 . 1 21 21 DT H2' H 1 2.464 0.001 . 1 . . 737 . A 21 DT H2' . 34525 1 143 . 1 . 1 21 21 DT H2'' H 1 2.665 . . 1 . . 738 . A 21 DT H2'' . 34525 1 144 . 1 . 1 21 21 DT H3' H 1 5.100 . . 1 . . 805 . A 21 DT H3' . 34525 1 145 . 1 . 1 21 21 DT H6 H 1 7.842 0.001 . 1 . . 544 . A 21 DT H6 . 34525 1 146 . 1 . 1 21 21 DT H71 H 1 1.979 . . 1 . . 701 . A 21 DT H71 . 34525 1 147 . 1 . 1 21 21 DT H72 H 1 1.979 . . 1 . . 701 . A 21 DT H72 . 34525 1 148 . 1 . 1 21 21 DT H73 H 1 1.979 . . 1 . . 701 . A 21 DT H73 . 34525 1 149 . 1 . 1 22 22 DG H1 H 1 11.887 0.005 . 1 . . 477 . A 22 DG H1 . 34525 1 150 . 1 . 1 22 22 DG H1' H 1 6.173 . . 1 . . 531 . A 22 DG H1' . 34525 1 151 . 1 . 1 22 22 DG H2' H 1 2.453 . . 1 . . 756 . A 22 DG H2' . 34525 1 152 . 1 . 1 22 22 DG H2'' H 1 2.868 0.001 . 1 . . 755 . A 22 DG H2'' . 34525 1 153 . 1 . 1 22 22 DG H3' H 1 5.077 . . 1 . . 793 . A 22 DG H3' . 34525 1 154 . 1 . 1 22 22 DG H8 H 1 7.933 0.002 . 1 . . 528 . A 22 DG H8 . 34525 1 155 . 1 . 1 23 23 DG H1 H 1 11.496 0.004 . 1 . . 465 . A 23 DG H1 . 34525 1 156 . 1 . 1 23 23 DG H1' H 1 6.120 0.002 . 1 . . 530 . A 23 DG H1' . 34525 1 157 . 1 . 1 23 23 DG H2' H 1 2.664 0.001 . 1 . . 757 . A 23 DG H2' . 34525 1 158 . 1 . 1 23 23 DG H2'' H 1 2.808 0.001 . 1 . . 754 . A 23 DG H2'' . 34525 1 159 . 1 . 1 23 23 DG H3' H 1 5.063 . . 1 . . 794 . A 23 DG H3' . 34525 1 160 . 1 . 1 23 23 DG H8 H 1 7.932 0.001 . 1 . . 527 . A 23 DG H8 . 34525 1 161 . 1 . 1 24 24 DG H1 H 1 11.249 0.002 . 1 . . 515 . A 24 DG H1 . 34525 1 162 . 1 . 1 24 24 DG H1' H 1 6.384 0.003 . 1 . . 529 . A 24 DG H1' . 34525 1 163 . 1 . 1 24 24 DG H2' H 1 2.531 0.002 . 1 . . 761 . A 24 DG H2' . 34525 1 164 . 1 . 1 24 24 DG H2'' H 1 2.703 . . 1 . . 760 . A 24 DG H2'' . 34525 1 165 . 1 . 1 24 24 DG H3' H 1 4.999 . . 1 . . 796 . A 24 DG H3' . 34525 1 166 . 1 . 1 24 24 DG H8 H 1 7.804 0.001 . 1 . . 526 . A 24 DG H8 . 34525 1 167 . 1 . 1 25 25 DT H1' H 1 6.197 0.003 . 1 . . 542 . A 25 DT H1' . 34525 1 168 . 1 . 1 25 25 DT H2' H 1 2.166 . . 1 . . 763 . A 25 DT H2' . 34525 1 169 . 1 . 1 25 25 DT H2'' H 1 2.417 . . 1 . . 764 . A 25 DT H2'' . 34525 1 170 . 1 . 1 25 25 DT H3' H 1 4.668 . . 1 . . 807 . A 25 DT H3' . 34525 1 171 . 1 . 1 25 25 DT H6 H 1 7.596 0.001 . 1 . . 543 . A 25 DT H6 . 34525 1 172 . 1 . 1 25 25 DT H71 H 1 1.901 0.002 . 1 . . 762 . A 25 DT H71 . 34525 1 173 . 1 . 1 25 25 DT H72 H 1 1.901 0.002 . 1 . . 762 . A 25 DT H72 . 34525 1 174 . 1 . 1 25 25 DT H73 H 1 1.901 0.002 . 1 . . 762 . A 25 DT H73 . 34525 1 175 . 1 . 1 26 26 DA H1' H 1 6.681 0.003 . 1 . . 473 . A 26 DA H1' . 34525 1 176 . 1 . 1 26 26 DA H2 H 1 8.362 . . 1 . . 808 . A 26 DA H2 . 34525 1 177 . 1 . 1 26 26 DA H2' H 1 3.089 0.007 . 1 . . 709 . A 26 DA H2' . 34525 1 178 . 1 . 1 26 26 DA H2'' H 1 2.963 0.002 . 1 . . 710 . A 26 DA H2'' . 34525 1 179 . 1 . 1 26 26 DA H3' H 1 5.188 . . 1 . . 711 . A 26 DA H3' . 34525 1 180 . 1 . 1 26 26 DA H8 H 1 8.518 0.002 . 1 . . 474 . A 26 DA H8 . 34525 1 181 . 1 . 1 27 27 DG H1 H 1 11.046 0.001 . 1 . . 536 . A 27 DG H1 . 34525 1 182 . 1 . 1 27 27 DG H1' H 1 6.093 0.001 . 1 . . 475 . A 27 DG H1' . 34525 1 183 . 1 . 1 27 27 DG H2' H 1 2.590 0.002 . 1 . . 718 . A 27 DG H2' . 34525 1 184 . 1 . 1 27 27 DG H2'' H 1 2.913 0.005 . 1 . . 719 . A 27 DG H2'' . 34525 1 185 . 1 . 1 27 27 DG H3' H 1 5.003 . . 1 . . 797 . A 27 DG H3' . 34525 1 186 . 1 . 1 27 27 DG H8 H 1 8.040 0.001 . 1 . . 476 . A 27 DG H8 . 34525 1 187 . 1 . 1 28 28 DG H1 H 1 11.130 0.002 . 1 . . 467 . A 28 DG H1 . 34525 1 188 . 1 . 1 28 28 DG H1' H 1 6.086 . . 1 . . 804 . A 28 DG H1' . 34525 1 189 . 1 . 1 28 28 DG H2' H 1 2.568 0.003 . 1 . . 766 . A 28 DG H2' . 34525 1 190 . 1 . 1 28 28 DG H2'' H 1 2.863 0.001 . 1 . . 765 . A 28 DG H2'' . 34525 1 191 . 1 . 1 28 28 DG H3' H 1 4.933 0.006 . 1 . . 798 . A 28 DG H3' . 34525 1 192 . 1 . 1 28 28 DG H8 H 1 7.644 0.002 . 1 . . 478 . A 28 DG H8 . 34525 1 193 . 1 . 1 29 29 DG H1 H 1 10.756 0.003 . 1 . . 466 . A 29 DG H1 . 34525 1 194 . 1 . 1 29 29 DG H1' H 1 6.376 0.001 . 1 . . 541 . A 29 DG H1' . 34525 1 195 . 1 . 1 29 29 DG H2' H 1 2.539 0.002 . 1 . . 758 . A 29 DG H2' . 34525 1 196 . 1 . 1 29 29 DG H2'' H 1 2.654 . . 1 . . 759 . A 29 DG H2'' . 34525 1 197 . 1 . 1 29 29 DG H3' H 1 5.076 . . 1 . . 799 . A 29 DG H3' . 34525 1 198 . 1 . 1 29 29 DG H8 H 1 7.700 0.001 . 1 . . 540 . A 29 DG H8 . 34525 1 199 . 1 . 1 30 30 DT H1' H 1 6.488 0.001 . 1 . . 547 . A 30 DT H1' . 34525 1 200 . 1 . 1 30 30 DT H2' H 1 2.433 0.0 . 1 . . 739 . A 30 DT H2' . 34525 1 201 . 1 . 1 30 30 DT H2'' H 1 2.644 . . 1 . . 740 . A 30 DT H2'' . 34525 1 202 . 1 . 1 30 30 DT H3' H 1 5.054 . . 1 . . 806 . A 30 DT H3' . 34525 1 203 . 1 . 1 30 30 DT H6 H 1 7.815 0.002 . 1 . . 546 . A 30 DT H6 . 34525 1 204 . 1 . 1 30 30 DT H71 H 1 1.958 . . 1 . . 702 . A 30 DT H71 . 34525 1 205 . 1 . 1 30 30 DT H72 H 1 1.958 . . 1 . . 702 . A 30 DT H72 . 34525 1 206 . 1 . 1 30 30 DT H73 H 1 1.958 . . 1 . . 702 . A 30 DT H73 . 34525 1 207 . 1 . 1 31 31 DG H1 H 1 11.574 0.003 . 1 . . 516 . A 31 DG H1 . 34525 1 208 . 1 . 1 31 31 DG H1' H 1 5.826 0.001 . 1 . . 534 . A 31 DG H1' . 34525 1 209 . 1 . 1 31 31 DG H2' H 1 2.176 0.002 . 1 . . 767 . A 31 DG H2' . 34525 1 210 . 1 . 1 31 31 DG H2'' H 1 2.670 0.001 . 1 . . 770 . A 31 DG H2'' . 34525 1 211 . 1 . 1 31 31 DG H3' H 1 5.076 0.002 . 1 . . 800 . A 31 DG H3' . 34525 1 212 . 1 . 1 31 31 DG H8 H 1 7.718 0.001 . 1 . . 535 . A 31 DG H8 . 34525 1 213 . 1 . 1 32 32 DG H1 H 1 11.468 0.002 . 1 . . 517 . A 32 DG H1 . 34525 1 214 . 1 . 1 32 32 DG H1' H 1 5.927 0.001 . 1 . . 532 . A 32 DG H1' . 34525 1 215 . 1 . 1 32 32 DG H2' H 1 2.392 0.001 . 1 . . 769 . A 32 DG H2' . 34525 1 216 . 1 . 1 32 32 DG H2'' H 1 2.656 0.002 . 1 . . 768 . A 32 DG H2'' . 34525 1 217 . 1 . 1 32 32 DG H3' H 1 5.054 0.003 . 1 . . 795 . A 32 DG H3' . 34525 1 218 . 1 . 1 32 32 DG H8 H 1 7.898 0.001 . 1 . . 525 . A 32 DG H8 . 34525 1 219 . 1 . 1 33 33 DG H1 H 1 11.226 0.003 . 1 . . 518 . A 33 DG H1 . 34525 1 220 . 1 . 1 33 33 DG H1' H 1 6.194 0.001 . 1 . . 533 . A 33 DG H1' . 34525 1 221 . 1 . 1 33 33 DG H2' H 1 2.637 0.004 . 1 . . 772 . A 33 DG H2' . 34525 1 222 . 1 . 1 33 33 DG H2'' H 1 2.742 0.004 . 1 . . 771 . A 33 DG H2'' . 34525 1 223 . 1 . 1 33 33 DG H3' H 1 4.928 0.005 . 1 . . 801 . A 33 DG H3' . 34525 1 224 . 1 . 1 33 33 DG H8 H 1 7.648 0.003 . 1 . . 524 . A 33 DG H8 . 34525 1 225 . 1 . 1 34 34 DT H1' H 1 5.983 . . 1 . . 537 . A 34 DT H1' . 34525 1 226 . 1 . 1 34 34 DT H2' H 1 1.908 . . 1 . . 722 . A 34 DT H2' . 34525 1 227 . 1 . 1 34 34 DT H2'' H 1 2.241 . . 1 . . 723 . A 34 DT H2'' . 34525 1 228 . 1 . 1 34 34 DT H3' H 1 4.591 0.001 . 1 . . 802 . A 34 DT H3' . 34525 1 229 . 1 . 1 34 34 DT H6 H 1 7.405 0.001 . 1 . . 538 . A 34 DT H6 . 34525 1 230 . 1 . 1 34 34 DT H71 H 1 1.761 0.001 . 1 . . 697 . A 34 DT H71 . 34525 1 231 . 1 . 1 34 34 DT H72 H 1 1.761 0.001 . 1 . . 697 . A 34 DT H72 . 34525 1 232 . 1 . 1 34 34 DT H73 H 1 1.761 0.001 . 1 . . 697 . A 34 DT H73 . 34525 1 233 . 1 . 1 35 35 DA H1' H 1 5.842 0.001 . 1 . . 549 . A 35 DA H1' . 34525 1 234 . 1 . 1 35 35 DA H2 H 1 7.517 0.002 . 1 . . 803 . A 35 DA H2 . 34525 1 235 . 1 . 1 35 35 DA H2' H 1 2.039 0.001 . 1 . . 774 . A 35 DA H2' . 34525 1 236 . 1 . 1 35 35 DA H2'' H 1 2.178 0.003 . 1 . . 773 . A 35 DA H2'' . 34525 1 237 . 1 . 1 35 35 DA H8 H 1 7.657 0.001 . 1 . . 539 . A 35 DA H8 . 34525 1 stop_ save_