################################### # 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 30803 _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 NOESY' . . . 30803 1 2 '2D NOESY' . . . 30803 1 3 '2D 1H-13C HSQC aromatic' . . . 30803 1 4 '2D DQF-COSY' . . . 30803 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 DT H1' H 1 5.798 0.003 . 1 . . 548 . A 4 DT H1' . 30803 1 2 . 1 . 1 1 1 DT H2' H 1 1.629 0.002 . 1 . . 550 . A 4 DT H2' . 30803 1 3 . 1 . 1 1 1 DT H2'' H 1 2.052 0.003 . 1 . . 549 . A 4 DT H2'' . 30803 1 4 . 1 . 1 1 1 DT H3' H 1 4.439 0.006 . 1 . . 656 . A 4 DT H3' . 30803 1 5 . 1 . 1 1 1 DT H4' H 1 3.817 0.003 . 1 . . 680 . A 4 DT H4' . 30803 1 6 . 1 . 1 1 1 DT H5' H 1 3.481 0.001 . 2 . . 681 . A 4 DT H5' . 30803 1 7 . 1 . 1 1 1 DT H5'' H 1 3.484 0.005 . 2 . . 682 . A 4 DT H5'' . 30803 1 8 . 1 . 1 1 1 DT H6 H 1 7.219 0.001 . 1 . . 547 . A 4 DT H6 . 30803 1 9 . 1 . 1 1 1 DT H71 H 1 1.666 0.003 . 1 . . 551 . A 4 DT H71 . 30803 1 10 . 1 . 1 1 1 DT H72 H 1 1.666 0.003 . 1 . . 551 . A 4 DT H72 . 30803 1 11 . 1 . 1 1 1 DT H73 H 1 1.666 0.003 . 1 . . 551 . A 4 DT H73 . 30803 1 12 . 1 . 1 1 1 DT C6 C 13 139.853 . . 1 . . 552 . A 4 DT C6 . 30803 1 13 . 1 . 1 2 2 DG H1' H 1 5.679 0.004 . 1 . . 554 . A 5 DG H1' . 30803 1 14 . 1 . 1 2 2 DG H2' H 1 2.537 0.004 . 1 . . 556 . A 5 DG H2' . 30803 1 15 . 1 . 1 2 2 DG H2'' H 1 2.402 0.003 . 1 . . 555 . A 5 DG H2'' . 30803 1 16 . 1 . 1 2 2 DG H3' H 1 4.721 0.003 . 1 . . 657 . A 5 DG H3' . 30803 1 17 . 1 . 1 2 2 DG H4' H 1 4.117 0.002 . 1 . . 683 . A 5 DG H4' . 30803 1 18 . 1 . 1 2 2 DG H5' H 1 3.737 0.002 . 2 . . 684 . A 5 DG H5' . 30803 1 19 . 1 . 1 2 2 DG H5'' H 1 3.828 0.002 . 2 . . 685 . A 5 DG H5'' . 30803 1 20 . 1 . 1 2 2 DG H8 H 1 7.651 0.002 . 1 . . 553 . A 5 DG H8 . 30803 1 21 . 1 . 1 2 2 DG C8 C 13 139.706 . . 1 . . 557 . A 5 DG C8 . 30803 1 22 . 1 . 1 3 3 DA H1' H 1 5.888 0.004 . 1 . . 562 . A 6 DA H1' . 30803 1 23 . 1 . 1 3 3 DA H2 H 1 7.778 0.003 . 1 . . 648 . A 6 DA H2 . 30803 1 24 . 1 . 1 3 3 DA H2' H 1 2.390 0.002 . 1 . . 561 . A 6 DA H2' . 30803 1 25 . 1 . 1 3 3 DA H2'' H 1 2.569 0.003 . 1 . . 560 . A 6 DA H2'' . 30803 1 26 . 1 . 1 3 3 DA H3' H 1 4.838 0.004 . 1 . . 658 . A 6 DA H3' . 30803 1 27 . 1 . 1 3 3 DA H4' H 1 4.006 0.004 . 1 . . 704 . A 6 DA H4' . 30803 1 28 . 1 . 1 3 3 DA H5' H 1 3.847 0.002 . 2 . . 705 . A 6 DA H5' . 30803 1 29 . 1 . 1 3 3 DA H5'' H 1 3.627 0.002 . 2 . . 706 . A 6 DA H5'' . 30803 1 30 . 1 . 1 3 3 DA H8 H 1 7.971 0.001 . 1 . . 558 . A 6 DA H8 . 30803 1 31 . 1 . 1 3 3 DA C2 C 13 155.053 . . 1 . . 649 . A 6 DA C2 . 30803 1 32 . 1 . 1 3 3 DA C8 C 13 141.611 . . 1 . . 559 . A 6 DA C8 . 30803 1 33 . 1 . 1 4 4 DG H1 H 1 11.728 0.002 . 1 . . 641 . A 7 DG H1 . 30803 1 34 . 1 . 1 4 4 DG H1' H 1 6.115 0.001 . 1 . . 566 . A 7 DG H1' . 30803 1 35 . 1 . 1 4 4 DG H2' H 1 2.789 0.001 . 1 . . 568 . A 7 DG H2' . 30803 1 36 . 1 . 1 4 4 DG H2'' H 1 3.072 0.001 . 1 . . 567 . A 7 DG H2'' . 30803 1 37 . 1 . 1 4 4 DG H3' H 1 4.999 0.003 . 1 . . 659 . A 7 DG H3' . 30803 1 38 . 1 . 1 4 4 DG H4' H 1 4.469 0.005 . 1 . . 696 . A 7 DG H4' . 30803 1 39 . 1 . 1 4 4 DG H5' H 1 4.117 0.001 . 2 . . 694 . A 7 DG H5' . 30803 1 40 . 1 . 1 4 4 DG H5'' H 1 4.031 0.004 . 2 . . 695 . A 7 DG H5'' . 30803 1 41 . 1 . 1 4 4 DG H8 H 1 8.053 0.001 . 1 . . 563 . A 7 DG H8 . 30803 1 42 . 1 . 1 4 4 DG C8 C 13 138.212 . . 1 . . 565 . A 7 DG C8 . 30803 1 43 . 1 . 1 5 5 DG H1 H 1 11.227 0.003 . 1 . . 642 . A 8 DG H1 . 30803 1 44 . 1 . 1 5 5 DG H1' H 1 6.110 0.002 . 1 . . 570 . A 8 DG H1' . 30803 1 45 . 1 . 1 5 5 DG H2' H 1 2.586 0.002 . 1 . . 571 . A 8 DG H2' . 30803 1 46 . 1 . 1 5 5 DG H2'' H 1 2.857 0.002 . 1 . . 572 . A 8 DG H2'' . 30803 1 47 . 1 . 1 5 5 DG H3' H 1 5.011 0.005 . 1 . . 660 . A 8 DG H3' . 30803 1 48 . 1 . 1 5 5 DG H4' H 1 4.515 0.002 . 1 . . 751 . A 8 DG H4' . 30803 1 49 . 1 . 1 5 5 DG H5' H 1 4.310 . . 2 . . 752 . A 8 DG H5' . 30803 1 50 . 1 . 1 5 5 DG H5'' H 1 4.284 . . 2 . . 753 . A 8 DG H5'' . 30803 1 51 . 1 . 1 5 5 DG H8 H 1 7.644 0.001 . 1 . . 569 . A 8 DG H8 . 30803 1 52 . 1 . 1 5 5 DG C8 C 13 137.640 . . 1 . . 573 . A 8 DG C8 . 30803 1 53 . 1 . 1 6 6 DG H1 H 1 10.871 0.002 . 1 . . 643 . A 9 DG H1 . 30803 1 54 . 1 . 1 6 6 DG H1' H 1 6.362 0.001 . 1 . . 575 . A 9 DG H1' . 30803 1 55 . 1 . 1 6 6 DG H2' H 1 2.696 0.001 . 1 . . 576 . A 9 DG H2' . 30803 1 56 . 1 . 1 6 6 DG H2'' H 1 2.672 0.001 . 1 . . 577 . A 9 DG H2'' . 30803 1 57 . 1 . 1 6 6 DG H3' H 1 5.157 0.0 . 1 . . 661 . A 9 DG H3' . 30803 1 58 . 1 . 1 6 6 DG H4' H 1 4.577 0.003 . 1 . . 679 . A 9 DG H4' . 30803 1 59 . 1 . 1 6 6 DG H5' H 1 4.357 0.002 . 2 . . 719 . A 9 DG H5' . 30803 1 60 . 1 . 1 6 6 DG H5'' H 1 4.298 0.003 . 2 . . 720 . A 9 DG H5'' . 30803 1 61 . 1 . 1 6 6 DG H8 H 1 7.415 0.001 . 1 . . 574 . A 9 DG H8 . 30803 1 62 . 1 . 1 6 6 DG C8 C 13 137.531 . . 1 . . 578 . A 9 DG C8 . 30803 1 63 . 1 . 1 7 7 DT H1' H 1 6.532 0.002 . 1 . . 740 . A 10 DT H1' . 30803 1 64 . 1 . 1 7 7 DT H2' H 1 2.485 0.001 . 1 . . 749 . A 10 DT H2' . 30803 1 65 . 1 . 1 7 7 DT H2'' H 1 2.678 0.003 . 1 . . 750 . A 10 DT H2'' . 30803 1 66 . 1 . 1 7 7 DT H3' H 1 5.109 0.001 . 1 . . 743 . A 10 DT H3' . 30803 1 67 . 1 . 1 7 7 DT H4' H 1 4.607 0.0 . 1 . . 744 . A 10 DT H4' . 30803 1 68 . 1 . 1 7 7 DT H5' H 1 4.297 0.001 . 2 . . 729 . A 10 DT H5' . 30803 1 69 . 1 . 1 7 7 DT H5'' H 1 4.357 0.002 . 2 . . 730 . A 10 DT H5'' . 30803 1 70 . 1 . 1 7 7 DT H6 H 1 7.866 0.001 . 1 . . 736 . A 10 DT H6 . 30803 1 71 . 1 . 1 7 7 DT H71 H 1 2.000 0.001 . 1 . . 746 . A 10 DT H71 . 30803 1 72 . 1 . 1 7 7 DT H72 H 1 2.000 0.001 . 1 . . 746 . A 10 DT H72 . 30803 1 73 . 1 . 1 7 7 DT H73 H 1 2.000 0.001 . 1 . . 746 . A 10 DT H73 . 30803 1 74 . 1 . 1 7 7 DT C6 C 13 140.238 . . 1 . . 737 . A 10 DT C6 . 30803 1 75 . 1 . 1 8 8 DG H1 H 1 11.732 0.004 . 1 . . 640 . A 11 DG H1 . 30803 1 76 . 1 . 1 8 8 DG H1' H 1 6.130 0.002 . 1 . . 614 . A 11 DG H1' . 30803 1 77 . 1 . 1 8 8 DG H2' H 1 2.457 0.001 . 1 . . 615 . A 11 DG H2' . 30803 1 78 . 1 . 1 8 8 DG H2'' H 1 2.896 0.002 . 1 . . 616 . A 11 DG H2'' . 30803 1 79 . 1 . 1 8 8 DG H3' H 1 5.108 0.002 . 1 . . 662 . A 11 DG H3' . 30803 1 80 . 1 . 1 8 8 DG H4' H 1 4.470 0.001 . 1 . . 703 . A 11 DG H4' . 30803 1 81 . 1 . 1 8 8 DG H5' H 1 4.341 . . 2 . . 724 . A 11 DG H5' . 30803 1 82 . 1 . 1 8 8 DG H5'' H 1 4.260 . . 2 . . 725 . A 11 DG H5'' . 30803 1 83 . 1 . 1 8 8 DG H8 H 1 7.967 0.001 . 1 . . 613 . A 11 DG H8 . 30803 1 84 . 1 . 1 8 8 DG C8 C 13 138.260 . . 1 . . 617 . A 11 DG C8 . 30803 1 85 . 1 . 1 9 9 DG H1 H 1 11.608 0.002 . 1 . . 639 . A 12 DG H1 . 30803 1 86 . 1 . 1 9 9 DG H1' H 1 6.164 0.001 . 1 . . 619 . A 12 DG H1' . 30803 1 87 . 1 . 1 9 9 DG H2' H 1 2.686 0.003 . 1 . . 620 . A 12 DG H2' . 30803 1 88 . 1 . 1 9 9 DG H2'' H 1 2.884 0.006 . 1 . . 621 . A 12 DG H2'' . 30803 1 89 . 1 . 1 9 9 DG H3' H 1 5.094 0.004 . 1 . . 663 . A 12 DG H3' . 30803 1 90 . 1 . 1 9 9 DG H4' H 1 4.483 0.003 . 1 . . 721 . A 12 DG H4' . 30803 1 91 . 1 . 1 9 9 DG H5' H 1 4.229 0.001 . 2 . . 722 . A 12 DG H5' . 30803 1 92 . 1 . 1 9 9 DG H5'' H 1 4.276 0.001 . 2 . . 723 . A 12 DG H5'' . 30803 1 93 . 1 . 1 9 9 DG H8 H 1 7.943 0.001 . 1 . . 618 . A 12 DG H8 . 30803 1 94 . 1 . 1 9 9 DG H21 H 1 9.461 . . 1 . . 764 . A 12 DG H21 . 30803 1 95 . 1 . 1 9 9 DG H22 H 1 6.439 . . 1 . . 763 . A 12 DG H22 . 30803 1 96 . 1 . 1 9 9 DG C8 C 13 138.712 . . 1 . . 622 . A 12 DG C8 . 30803 1 97 . 1 . 1 10 10 DG H1 H 1 11.376 0.002 . 1 . . 638 . A 13 DG H1 . 30803 1 98 . 1 . 1 10 10 DG H1' H 1 6.428 0.002 . 1 . . 625 . A 13 DG H1' . 30803 1 99 . 1 . 1 10 10 DG H2' H 1 2.716 . . 1 . . 627 . A 13 DG H2' . 30803 1 100 . 1 . 1 10 10 DG H2'' H 1 2.556 0.002 . 1 . . 626 . A 13 DG H2'' . 30803 1 101 . 1 . 1 10 10 DG H3' H 1 5.038 0.002 . 1 . . 664 . A 13 DG H3' . 30803 1 102 . 1 . 1 10 10 DG H4' H 1 4.488 0.003 . 1 . . 678 . A 13 DG H4' . 30803 1 103 . 1 . 1 10 10 DG H5' H 1 4.305 . . 2 . . 2093 . A 13 DG H5' . 30803 1 104 . 1 . 1 10 10 DG H5'' H 1 4.276 . . 2 . . 2094 . A 13 DG H5'' . 30803 1 105 . 1 . 1 10 10 DG H8 H 1 7.901 0.001 . 1 . . 623 . A 13 DG H8 . 30803 1 106 . 1 . 1 10 10 DG C8 C 13 138.511 . . 1 . . 624 . A 13 DG C8 . 30803 1 107 . 1 . 1 11 11 DT H1' H 1 6.235 0.002 . 1 . . 596 . A 14 DT H1' . 30803 1 108 . 1 . 1 11 11 DT H2' H 1 2.213 0.003 . 1 . . 598 . A 14 DT H2' . 30803 1 109 . 1 . 1 11 11 DT H2'' H 1 2.460 0.003 . 1 . . 597 . A 14 DT H2'' . 30803 1 110 . 1 . 1 11 11 DT H3' H 1 4.717 0.002 . 1 . . 665 . A 14 DT H3' . 30803 1 111 . 1 . 1 11 11 DT H4' H 1 3.883 0.003 . 1 . . 726 . A 14 DT H4' . 30803 1 112 . 1 . 1 11 11 DT H5' H 1 3.749 0.004 . 2 . . 754 . A 14 DT H5' . 30803 1 113 . 1 . 1 11 11 DT H5'' H 1 3.720 0.004 . 2 . . 755 . A 14 DT H5'' . 30803 1 114 . 1 . 1 11 11 DT H6 H 1 7.637 0.002 . 1 . . 594 . A 14 DT H6 . 30803 1 115 . 1 . 1 11 11 DT H71 H 1 1.935 0.003 . 1 . . 595 . A 14 DT H71 . 30803 1 116 . 1 . 1 11 11 DT H72 H 1 1.935 0.003 . 1 . . 595 . A 14 DT H72 . 30803 1 117 . 1 . 1 11 11 DT H73 H 1 1.935 0.003 . 1 . . 595 . A 14 DT H73 . 30803 1 118 . 1 . 1 11 11 DT C6 C 13 140.327 . . 1 . . 734 . A 14 DT C6 . 30803 1 119 . 1 . 1 12 12 DA H1' H 1 6.699 0.002 . 1 . . 543 . A 15 DA H1' . 30803 1 120 . 1 . 1 12 12 DA H2 H 1 8.378 0.001 . 1 . . 579 . A 15 DA H2 . 30803 1 121 . 1 . 1 12 12 DA H2' H 1 3.095 0.002 . 1 . . 544 . A 15 DA H2' . 30803 1 122 . 1 . 1 12 12 DA H2'' H 1 2.979 0.003 . 1 . . 545 . A 15 DA H2'' . 30803 1 123 . 1 . 1 12 12 DA H3' H 1 5.201 0.005 . 1 . . 654 . A 15 DA H3' . 30803 1 124 . 1 . 1 12 12 DA H4' H 1 4.613 0.003 . 1 . . 700 . A 15 DA H4' . 30803 1 125 . 1 . 1 12 12 DA H5' H 1 4.309 0.0 . 2 . . 701 . A 15 DA H5' . 30803 1 126 . 1 . 1 12 12 DA H5'' H 1 4.216 0.003 . 2 . . 702 . A 15 DA H5'' . 30803 1 127 . 1 . 1 12 12 DA H8 H 1 8.537 0.002 . 1 . . 542 . A 15 DA H8 . 30803 1 128 . 1 . 1 12 12 DA C2 C 13 156.027 . . 1 . . 647 . A 15 DA C2 . 30803 1 129 . 1 . 1 12 12 DA C8 C 13 143.726 . . 1 . . 546 . A 15 DA C8 . 30803 1 130 . 1 . 1 13 13 DG H1 H 1 11.893 0.003 . 1 . . 636 . A 16 DG H1 . 30803 1 131 . 1 . 1 13 13 DG H1' H 1 6.202 0.003 . 1 . . 588 . A 16 DG H1' . 30803 1 132 . 1 . 1 13 13 DG H2' H 1 2.677 0.001 . 1 . . 589 . A 16 DG H2' . 30803 1 133 . 1 . 1 13 13 DG H2'' H 1 3.026 0.001 . 1 . . 590 . A 16 DG H2'' . 30803 1 134 . 1 . 1 13 13 DG H3' H 1 5.055 0.004 . 1 . . 655 . A 16 DG H3' . 30803 1 135 . 1 . 1 13 13 DG H4' H 1 4.491 0.004 . 1 . . 699 . A 16 DG H4' . 30803 1 136 . 1 . 1 13 13 DG H5' H 1 4.286 0.003 . 2 . . 697 . A 16 DG H5' . 30803 1 137 . 1 . 1 13 13 DG H5'' H 1 4.179 0.004 . 2 . . 698 . A 16 DG H5'' . 30803 1 138 . 1 . 1 13 13 DG H8 H 1 8.152 0.001 . 1 . . 564 . A 16 DG H8 . 30803 1 139 . 1 . 1 13 13 DG C8 C 13 138.824 . . 1 . . 591 . A 16 DG C8 . 30803 1 140 . 1 . 1 14 14 DG H1 H 1 11.295 0.003 . 1 . . 635 . A 17 DG H1 . 30803 1 141 . 1 . 1 14 14 DG H1' H 1 6.227 0.001 . 1 . . 585 . A 17 DG H1' . 30803 1 142 . 1 . 1 14 14 DG H2' H 1 2.699 0.002 . 1 . . 586 . A 17 DG H2' . 30803 1 143 . 1 . 1 14 14 DG H2'' H 1 2.987 0.003 . 1 . . 587 . A 17 DG H2'' . 30803 1 144 . 1 . 1 14 14 DG H3' H 1 5.038 0.004 . 1 . . 666 . A 17 DG H3' . 30803 1 145 . 1 . 1 14 14 DG H4' H 1 4.563 0.001 . 1 . . 717 . A 17 DG H4' . 30803 1 146 . 1 . 1 14 14 DG H5' H 1 4.241 . . 2 . . 2095 . A 17 DG H5' . 30803 1 147 . 1 . 1 14 14 DG H5'' H 1 4.295 . . 2 . . 2096 . A 17 DG H5'' . 30803 1 148 . 1 . 1 14 14 DG H8 H 1 7.814 0.002 . 1 . . 580 . A 17 DG H8 . 30803 1 149 . 1 . 1 14 14 DG H21 H 1 9.214 . . 1 . . 766 . A 17 DG H21 . 30803 1 150 . 1 . 1 14 14 DG H22 H 1 6.701 . . 1 . . 765 . A 17 DG H22 . 30803 1 151 . 1 . 1 14 14 DG C8 C 13 138.047 . . 1 . . 593 . A 17 DG C8 . 30803 1 152 . 1 . 1 15 15 DG H1 H 1 11.212 0.001 . 1 . . 637 . A 18 DG H1 . 30803 1 153 . 1 . 1 15 15 DG H1' H 1 6.491 0.005 . 1 . . 582 . A 18 DG H1' . 30803 1 154 . 1 . 1 15 15 DG H2' H 1 2.712 0.002 . 1 . . 583 . A 18 DG H2' . 30803 1 155 . 1 . 1 15 15 DG H2'' H 1 2.636 0.001 . 1 . . 584 . A 18 DG H2'' . 30803 1 156 . 1 . 1 15 15 DG H3' H 1 5.155 0.001 . 1 . . 667 . A 18 DG H3' . 30803 1 157 . 1 . 1 15 15 DG H4' H 1 4.640 0.004 . 1 . . 718 . A 18 DG H4' . 30803 1 158 . 1 . 1 15 15 DG H5' H 1 4.420 0.001 . 2 . . 727 . A 18 DG H5' . 30803 1 159 . 1 . 1 15 15 DG H5'' H 1 4.309 0.0 . 2 . . 728 . A 18 DG H5'' . 30803 1 160 . 1 . 1 15 15 DG H8 H 1 7.831 0.001 . 1 . . 581 . A 18 DG H8 . 30803 1 161 . 1 . 1 15 15 DG C8 C 13 138.472 . . 1 . . 592 . A 18 DG C8 . 30803 1 162 . 1 . 1 16 16 DT H1' H 1 6.541 0.003 . 1 . . 739 . A 19 DT H1' . 30803 1 163 . 1 . 1 16 16 DT H2' H 1 2.486 . . 1 . . 747 . A 19 DT H2' . 30803 1 164 . 1 . 1 16 16 DT H2'' H 1 2.687 0.001 . 1 . . 748 . A 19 DT H2'' . 30803 1 165 . 1 . 1 16 16 DT H3' H 1 5.132 0.003 . 1 . . 742 . A 19 DT H3' . 30803 1 166 . 1 . 1 16 16 DT H4' H 1 4.628 0.001 . 1 . . 741 . A 19 DT H4' . 30803 1 167 . 1 . 1 16 16 DT H5' H 1 4.313 0.005 . 2 . . 731 . A 19 DT H5' . 30803 1 168 . 1 . 1 16 16 DT H5'' H 1 4.369 0.003 . 2 . . 732 . A 19 DT H5'' . 30803 1 169 . 1 . 1 16 16 DT H6 H 1 7.874 0.001 . 1 . . 733 . A 19 DT H6 . 30803 1 170 . 1 . 1 16 16 DT H71 H 1 1.999 0.005 . 1 . . 745 . A 19 DT H71 . 30803 1 171 . 1 . 1 16 16 DT H72 H 1 1.999 0.005 . 1 . . 745 . A 19 DT H72 . 30803 1 172 . 1 . 1 16 16 DT H73 H 1 1.999 0.005 . 1 . . 745 . A 19 DT H73 . 30803 1 173 . 1 . 1 16 16 DT C6 C 13 140.247 . . 1 . . 735 . A 19 DT C6 . 30803 1 174 . 1 . 1 17 17 DG H1 H 1 11.267 0.004 . 1 . . 646 . A 20 DG H1 . 30803 1 175 . 1 . 1 17 17 DG H1' H 1 5.972 0.004 . 1 . . 630 . A 20 DG H1' . 30803 1 176 . 1 . 1 17 17 DG H2' H 1 2.347 0.003 . 1 . . 631 . A 20 DG H2' . 30803 1 177 . 1 . 1 17 17 DG H2'' H 1 2.764 0.002 . 1 . . 632 . A 20 DG H2'' . 30803 1 178 . 1 . 1 17 17 DG H3' H 1 5.095 0.003 . 1 . . 669 . A 20 DG H3' . 30803 1 179 . 1 . 1 17 17 DG H4' H 1 4.464 0.001 . 1 . . 756 . A 20 DG H4' . 30803 1 180 . 1 . 1 17 17 DG H5' H 1 4.282 . . 2 . . 757 . A 20 DG H5' . 30803 1 181 . 1 . 1 17 17 DG H5'' H 1 4.342 . . 2 . . 758 . A 20 DG H5'' . 30803 1 182 . 1 . 1 17 17 DG H8 H 1 7.915 0.001 . 1 . . 633 . A 20 DG H8 . 30803 1 183 . 1 . 1 17 17 DG C8 C 13 138.102 . . 1 . . 634 . A 20 DG C8 . 30803 1 184 . 1 . 1 18 18 DG H1 H 1 11.459 0.002 . 1 . . 645 . A 21 DG H1 . 30803 1 185 . 1 . 1 18 18 DG H1' H 1 5.930 0.002 . 1 . . 610 . A 21 DG H1' . 30803 1 186 . 1 . 1 18 18 DG H2' H 1 2.613 0.002 . 1 . . 611 . A 21 DG H2' . 30803 1 187 . 1 . 1 18 18 DG H2'' H 1 2.621 0.002 . 1 . . 612 . A 21 DG H2'' . 30803 1 188 . 1 . 1 18 18 DG H3' H 1 5.048 0.002 . 1 . . 668 . A 21 DG H3' . 30803 1 189 . 1 . 1 18 18 DG H4' H 1 4.495 0.0 . 1 . . 716 . A 21 DG H4' . 30803 1 190 . 1 . 1 18 18 DG H5' H 1 4.243 . . 2 . . 759 . A 21 DG H5' . 30803 1 191 . 1 . 1 18 18 DG H5'' H 1 4.170 . . 2 . . 760 . A 21 DG H5'' . 30803 1 192 . 1 . 1 18 18 DG H8 H 1 7.886 0.001 . 1 . . 628 . A 21 DG H8 . 30803 1 193 . 1 . 1 18 18 DG C8 C 13 138.659 . . 1 . . 629 . A 21 DG C8 . 30803 1 194 . 1 . 1 19 19 DG H1 H 1 10.997 0.004 . 1 . . 644 . A 22 DG H1 . 30803 1 195 . 1 . 1 19 19 DG H1' H 1 5.979 0.002 . 1 . . 605 . A 22 DG H1' . 30803 1 196 . 1 . 1 19 19 DG H2' H 1 2.094 0.002 . 1 . . 607 . A 22 DG H2' . 30803 1 197 . 1 . 1 19 19 DG H2'' H 1 2.562 0.004 . 1 . . 606 . A 22 DG H2'' . 30803 1 198 . 1 . 1 19 19 DG H3' H 1 4.904 0.006 . 1 . . 670 . A 22 DG H3' . 30803 1 199 . 1 . 1 19 19 DG H4' H 1 4.475 . . 1 . . 689 . A 22 DG H4' . 30803 1 200 . 1 . 1 19 19 DG H5' H 1 4.225 0.005 . 2 . . 690 . A 22 DG H5' . 30803 1 201 . 1 . 1 19 19 DG H5'' H 1 4.128 0.003 . 2 . . 691 . A 22 DG H5'' . 30803 1 202 . 1 . 1 19 19 DG H8 H 1 7.289 0.001 . 1 . . 608 . A 22 DG H8 . 30803 1 203 . 1 . 1 19 19 DG C8 C 13 136.769 . . 1 . . 609 . A 22 DG C8 . 30803 1 204 . 1 . 1 20 20 DG H1' H 1 5.137 0.005 . 1 . . 603 . A 23 DG H1' . 30803 1 205 . 1 . 1 20 20 DG H2' H 1 2.438 0.003 . 1 . . 676 . A 23 DG H2' . 30803 1 206 . 1 . 1 20 20 DG H2'' H 1 2.364 0.003 . 1 . . 677 . A 23 DG H2'' . 30803 1 207 . 1 . 1 20 20 DG H3' H 1 4.840 0.002 . 1 . . 671 . A 23 DG H3' . 30803 1 208 . 1 . 1 20 20 DG H4' H 1 4.381 . . 1 . . 715 . A 23 DG H4' . 30803 1 209 . 1 . 1 20 20 DG H5' H 1 4.114 0.004 . 2 . . 713 . A 23 DG H5' . 30803 1 210 . 1 . 1 20 20 DG H5'' H 1 4.175 0.004 . 2 . . 714 . A 23 DG H5'' . 30803 1 211 . 1 . 1 20 20 DG H8 H 1 7.801 0.001 . 1 . . 602 . A 23 DG H8 . 30803 1 212 . 1 . 1 20 20 DG C8 C 13 138.891 . . 1 . . 604 . A 23 DG C8 . 30803 1 213 . 1 . 1 21 21 DA H1' H 1 5.540 0.003 . 1 . . 601 . A 24 DA H1' . 30803 1 214 . 1 . 1 21 21 DA H2 H 1 7.664 0.002 . 1 . . 651 . A 24 DA H2 . 30803 1 215 . 1 . 1 21 21 DA H2' H 1 2.200 0.003 . 1 . . 709 . A 24 DA H2' . 30803 1 216 . 1 . 1 21 21 DA H2'' H 1 2.194 0.002 . 1 . . 710 . A 24 DA H2'' . 30803 1 217 . 1 . 1 21 21 DA H3' H 1 4.579 0.002 . 1 . . 711 . A 24 DA H3' . 30803 1 218 . 1 . 1 21 21 DA H4' H 1 2.938 0.002 . 1 . . 712 . A 24 DA H4' . 30803 1 219 . 1 . 1 21 21 DA H5' H 1 3.580 0.001 . 2 . . 692 . A 24 DA H5' . 30803 1 220 . 1 . 1 21 21 DA H5'' H 1 3.646 0.003 . 2 . . 693 . A 24 DA H5'' . 30803 1 221 . 1 . 1 21 21 DA H8 H 1 7.943 0.001 . 1 . . 599 . A 24 DA H8 . 30803 1 222 . 1 . 1 21 21 DA C2 C 13 155.196 . . 1 . . 650 . A 24 DA C2 . 30803 1 223 . 1 . 1 21 21 DA C8 C 13 142.188 . . 1 . . 600 . A 24 DA C8 . 30803 1 224 . 1 . 1 22 22 DA H1' H 1 5.852 0.003 . 1 . . 673 . A 25 DA H1' . 30803 1 225 . 1 . 1 22 22 DA H2 H 1 7.661 0.002 . 1 . . 652 . A 25 DA H2 . 30803 1 226 . 1 . 1 22 22 DA H2' H 1 2.490 0.004 . 1 . . 675 . A 25 DA H2' . 30803 1 227 . 1 . 1 22 22 DA H2'' H 1 2.427 0.002 . 1 . . 674 . A 25 DA H2'' . 30803 1 228 . 1 . 1 22 22 DA H3' H 1 4.443 0.002 . 1 . . 708 . A 25 DA H3' . 30803 1 229 . 1 . 1 22 22 DA H4' H 1 4.096 0.001 . 1 . . 686 . A 25 DA H4' . 30803 1 230 . 1 . 1 22 22 DA H5' H 1 3.886 0.003 . 2 . . 687 . A 25 DA H5' . 30803 1 231 . 1 . 1 22 22 DA H5'' H 1 3.689 0.003 . 2 . . 688 . A 25 DA H5'' . 30803 1 232 . 1 . 1 22 22 DA H8 H 1 7.883 0.001 . 1 . . 672 . A 25 DA H8 . 30803 1 233 . 1 . 1 22 22 DA C2 C 13 154.939 . . 1 . . 653 . A 25 DA C2 . 30803 1 234 . 1 . 1 22 22 DA C8 C 13 141.046 . . 1 . . 738 . A 25 DA C8 . 30803 1 stop_ save_