################################### # 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 34062 _Assigned_chem_shift_list.ID 1 _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' . . . 34062 1 2 '2D 1H-13C HSQC aromatic' . . . 34062 1 3 '2D DQF-COSY' . . . 34062 1 4 '2D HMBC' . . . 34062 1 5 '2D 1H-1H NOESY' . . . 34062 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5.471 0.004 . 1 . 350 . A 1 DT H1' . 34062 1 2 . 1 1 1 1 DT H2' H 1 1.753 0.004 . 1 . 352 . A 1 DT H2' . 34062 1 3 . 1 1 1 1 DT H2'' H 1 2.267 0.004 . 1 . 353 . A 1 DT H2'' . 34062 1 4 . 1 1 1 1 DT H3' H 1 4.534 0.003 . 1 . 498 . A 1 DT H3' . 34062 1 5 . 1 1 1 1 DT H4' H 1 3.979 0.002 . 1 . 526 . A 1 DT H4' . 34062 1 6 . 1 1 1 1 DT H5' H 1 3.432 0.005 . 2 . 527 . A 1 DT H5' . 34062 1 7 . 1 1 1 1 DT H5'' H 1 3.432 0.005 . 2 . 528 . A 1 DT H5'' . 34062 1 8 . 1 1 1 1 DT H6 H 1 7.109 0.002 . 1 . 351 . A 1 DT H6 . 34062 1 9 . 1 1 1 1 DT H71 H 1 1.306 0.002 . 1 . 347 . A 1 DT H71 . 34062 1 10 . 1 1 1 1 DT H72 H 1 1.306 0.002 . 1 . 347 . A 1 DT H72 . 34062 1 11 . 1 1 1 1 DT H73 H 1 1.306 0.002 . 1 . 347 . A 1 DT H73 . 34062 1 12 . 1 1 1 1 DT C4' C 13 88.488 . . 1 . 545 . A 1 DT C4' . 34062 1 13 . 1 1 1 1 DT C5' C 13 63.912 . . 1 . 548 . A 1 DT C5' . 34062 1 14 . 1 1 1 1 DT C6 C 13 138.528 . . 1 . 412 . A 1 DT C6 . 34062 1 15 . 1 1 2 2 DT H1' H 1 5.661 0.003 . 1 . 431 . A 2 DT H1' . 34062 1 16 . 1 1 2 2 DT H2' H 1 2.552 0.006 . 1 . 433 . A 2 DT H2' . 34062 1 17 . 1 1 2 2 DT H2'' H 1 2.436 0.004 . 1 . 432 . A 2 DT H2'' . 34062 1 18 . 1 1 2 2 DT H3' H 1 4.739 0.002 . 1 . 522 . A 2 DT H3' . 34062 1 19 . 1 1 2 2 DT H4' H 1 4.176 0.003 . 1 . 559 . A 2 DT H4' . 34062 1 20 . 1 1 2 2 DT H5' H 1 3.901 0.005 . 2 . 557 . A 2 DT H5' . 34062 1 21 . 1 1 2 2 DT H5'' H 1 3.790 0.003 . 2 . 558 . A 2 DT H5'' . 34062 1 22 . 1 1 2 2 DT H6 H 1 7.187 0.003 . 1 . 429 . A 2 DT H6 . 34062 1 23 . 1 1 2 2 DT H71 H 1 1.555 0.003 . 1 . 428 . A 2 DT H71 . 34062 1 24 . 1 1 2 2 DT H72 H 1 1.555 0.003 . 1 . 428 . A 2 DT H72 . 34062 1 25 . 1 1 2 2 DT H73 H 1 1.555 0.003 . 1 . 428 . A 2 DT H73 . 34062 1 26 . 1 1 2 2 DT C6 C 13 142.350 . . 1 . 430 . A 2 DT C6 . 34062 1 27 . 1 1 3 3 GF2 H1' H 1 5.883 0.003 . 1 . 362 . A 3 GF2 H1' . 34062 1 28 . 1 1 3 3 GF2 H2' H 1 5.640 0.005 . 1 . 363 . A 3 GF2 H2' . 34062 1 29 . 1 1 3 3 GF2 H3' H 1 4.890 0.004 . 1 . 507 . A 3 GF2 H3' . 34062 1 30 . 1 1 3 3 GF2 H4' H 1 4.573 0.002 . 1 . 553 . A 3 GF2 H4' . 34062 1 31 . 1 1 3 3 GF2 H8 H 1 8.088 0.003 . 1 . 372 . A 3 GF2 H8 . 34062 1 32 . 1 1 3 3 GF2 C8 C 13 137.250 . . 1 . 434 . A 3 GF2 C8 . 34062 1 33 . 1 1 3 3 GF2 HN1 H 1 11.898 0.002 . 1 . 368 . A 3 GF2 HN1 . 34062 1 34 . 1 1 4 4 DG H1 H 1 11.527 0.004 . 1 . 369 . A 4 DG H1 . 34062 1 35 . 1 1 4 4 DG H1' H 1 6.041 0.003 . 1 . 387 . A 4 DG H1' . 34062 1 36 . 1 1 4 4 DG H2' H 1 2.427 0.004 . 1 . 388 . A 4 DG H2' . 34062 1 37 . 1 1 4 4 DG H2'' H 1 2.483 0.004 . 1 . 389 . A 4 DG H2'' . 34062 1 38 . 1 1 4 4 DG H3' H 1 4.778 0.005 . 1 . 508 . A 4 DG H3' . 34062 1 39 . 1 1 4 4 DG H4' H 1 4.333 0.003 . 1 . 551 . A 4 DG H4' . 34062 1 40 . 1 1 4 4 DG H8 H 1 7.554 0.003 . 1 . 375 . A 4 DG H8 . 34062 1 41 . 1 1 4 4 DG C8 C 13 137.200 . . 1 . 483 . A 4 DG C8 . 34062 1 42 . 1 1 5 5 DG H1 H 1 11.098 0.004 . 1 . 370 . A 5 DG H1 . 34062 1 43 . 1 1 5 5 DG H1' H 1 6.368 0.004 . 1 . 390 . A 5 DG H1' . 34062 1 44 . 1 1 5 5 DG H2' H 1 2.622 0.004 . 1 . 392 . A 5 DG H2' . 34062 1 45 . 1 1 5 5 DG H2'' H 1 2.565 0.002 . 1 . 391 . A 5 DG H2'' . 34062 1 46 . 1 1 5 5 DG H3' H 1 4.973 0.004 . 1 . 460 . A 5 DG H3' . 34062 1 47 . 1 1 5 5 DG H4' H 1 4.426 0.003 . 1 . 554 . A 5 DG H4' . 34062 1 48 . 1 1 5 5 DG H5' H 1 4.104 . . 2 . 604 . A 5 DG H5' . 34062 1 49 . 1 1 5 5 DG H5'' H 1 3.938 0.001 . 2 . 605 . A 5 DG H5'' . 34062 1 50 . 1 1 5 5 DG H8 H 1 7.916 0.003 . 1 . 377 . A 5 DG H8 . 34062 1 51 . 1 1 5 5 DG C1' C 13 85.427 . . 1 . 534 . A 5 DG C1' . 34062 1 52 . 1 1 5 5 DG C8 C 13 137.662 . . 1 . 450 . A 5 DG C8 . 34062 1 53 . 1 1 6 6 DT H1' H 1 6.106 0.003 . 1 . 453 . A 6 DT H1' . 34062 1 54 . 1 1 6 6 DT H2' H 1 1.957 0.002 . 1 . 454 . A 6 DT H2' . 34062 1 55 . 1 1 6 6 DT H2'' H 1 2.314 0.003 . 1 . 455 . A 6 DT H2'' . 34062 1 56 . 1 1 6 6 DT H3' H 1 4.809 0.003 . 1 . 556 . A 6 DT H3' . 34062 1 57 . 1 1 6 6 DT H4' H 1 4.227 0.002 . 1 . 567 . A 6 DT H4' . 34062 1 58 . 1 1 6 6 DT H6 H 1 7.561 0.003 . 1 . 451 . A 6 DT H6 . 34062 1 59 . 1 1 6 6 DT H71 H 1 1.959 0.003 . 1 . 452 . A 6 DT H71 . 34062 1 60 . 1 1 6 6 DT H72 H 1 1.959 0.003 . 1 . 452 . A 6 DT H72 . 34062 1 61 . 1 1 6 6 DT H73 H 1 1.959 0.003 . 1 . 452 . A 6 DT H73 . 34062 1 62 . 1 1 6 6 DT C1' C 13 87.718 . . 1 . 538 . A 6 DT C1' . 34062 1 63 . 1 1 6 6 DT C6 C 13 139.538 . . 1 . 456 . A 6 DT C6 . 34062 1 64 . 1 1 7 7 DT H1' H 1 6.347 0.003 . 1 . 501 . A 7 DT H1' . 34062 1 65 . 1 1 7 7 DT H2' H 1 2.493 0.003 . 1 . 502 . A 7 DT H2' . 34062 1 66 . 1 1 7 7 DT H2'' H 1 2.493 0.003 . 1 . 509 . A 7 DT H2'' . 34062 1 67 . 1 1 7 7 DT H3' H 1 4.876 0.003 . 1 . 510 . A 7 DT H3' . 34062 1 68 . 1 1 7 7 DT H4' H 1 4.322 0.002 . 1 . 521 . A 7 DT H4' . 34062 1 69 . 1 1 7 7 DT H5' H 1 4.154 0.002 . 2 . 599 . A 7 DT H5' . 34062 1 70 . 1 1 7 7 DT H5'' H 1 4.072 0.004 . 2 . 600 . A 7 DT H5'' . 34062 1 71 . 1 1 7 7 DT H6 H 1 7.694 0.003 . 1 . 437 . A 7 DT H6 . 34062 1 72 . 1 1 7 7 DT H71 H 1 1.972 0.002 . 1 . 500 . A 7 DT H71 . 34062 1 73 . 1 1 7 7 DT H72 H 1 1.972 0.002 . 1 . 500 . A 7 DT H72 . 34062 1 74 . 1 1 7 7 DT H73 H 1 1.972 0.002 . 1 . 500 . A 7 DT H73 . 34062 1 75 . 1 1 7 7 DT C1' C 13 88.002 . . 1 . 535 . A 7 DT C1' . 34062 1 76 . 1 1 7 7 DT C6 C 13 139.841 . . 1 . 499 . A 7 DT C6 . 34062 1 77 . 1 1 8 8 DA H1' H 1 6.554 0.004 . 1 . 423 . A 8 DA H1' . 34062 1 78 . 1 1 8 8 DA H2 H 1 8.272 0.003 . 1 . 413 . A 8 DA H2 . 34062 1 79 . 1 1 8 8 DA H2' H 1 3.057 0.004 . 1 . 425 . A 8 DA H2' . 34062 1 80 . 1 1 8 8 DA H2'' H 1 2.864 0.004 . 1 . 424 . A 8 DA H2'' . 34062 1 81 . 1 1 8 8 DA H3' H 1 5.169 0.004 . 1 . 446 . A 8 DA H3' . 34062 1 82 . 1 1 8 8 DA H4' H 1 4.496 0.002 . 1 . 518 . A 8 DA H4' . 34062 1 83 . 1 1 8 8 DA H5' H 1 4.201 0.001 . 2 . 602 . A 8 DA H5' . 34062 1 84 . 1 1 8 8 DA H5'' H 1 4.137 0.004 . 2 . 603 . A 8 DA H5'' . 34062 1 85 . 1 1 8 8 DA H8 H 1 8.502 0.003 . 1 . 435 . A 8 DA H8 . 34062 1 86 . 1 1 8 8 DA C1' C 13 86.166 . . 1 . 532 . A 8 DA C1' . 34062 1 87 . 1 1 8 8 DA C2 C 13 155.455 . . 1 . 414 . A 8 DA C2 . 34062 1 88 . 1 1 8 8 DA C2' C 13 40.665 0.006 . 1 . 549 . A 8 DA C2' . 34062 1 89 . 1 1 8 8 DA C8 C 13 142.572 . . 1 . 436 . A 8 DA C8 . 34062 1 90 . 1 1 9 9 GF2 H1' H 1 6.006 0.004 . 1 . 469 . A 9 GF2 H1' . 34062 1 91 . 1 1 9 9 GF2 H2' H 1 5.573 0.004 . 1 . 356 . A 9 GF2 H2' . 34062 1 92 . 1 1 9 9 GF2 H3' H 1 4.912 0.005 . 1 . 506 . A 9 GF2 H3' . 34062 1 93 . 1 1 9 9 GF2 H4' H 1 4.538 0.003 . 1 . 530 . A 9 GF2 H4' . 34062 1 94 . 1 1 9 9 GF2 H5' H 1 4.236 0.001 . 1 . 606 . A 9 GF2 H5' . 34062 1 95 . 1 1 9 9 GF2 H8 H 1 8.111 0.003 . 1 . 355 . A 9 GF2 H8 . 34062 1 96 . 1 1 9 9 GF2 C2 C 13 93.504 . . 1 . 531 . A 9 GF2 C2 . 34062 1 97 . 1 1 9 9 GF2 C8 C 13 137.740 . . 1 . 475 . A 9 GF2 C8 . 34062 1 98 . 1 1 9 9 GF2 HN1 H 1 11.697 0.002 . 1 . 461 . A 9 GF2 HN1 . 34062 1 99 . 1 1 10 10 DG H1 H 1 11.637 0.003 . 1 . 379 . A 10 DG H1 . 34062 1 100 . 1 1 10 10 DG H1' H 1 5.984 0.004 . 1 . 384 . A 10 DG H1' . 34062 1 101 . 1 1 10 10 DG H2' H 1 2.561 0.005 . 1 . 385 . A 10 DG H2' . 34062 1 102 . 1 1 10 10 DG H2'' H 1 2.669 0.004 . 1 . 386 . A 10 DG H2'' . 34062 1 103 . 1 1 10 10 DG H3' H 1 5.023 0.004 . 1 . 457 . A 10 DG H3' . 34062 1 104 . 1 1 10 10 DG H4' H 1 4.444 0.002 . 1 . 520 . A 10 DG H4' . 34062 1 105 . 1 1 10 10 DG H8 H 1 7.739 0.003 . 1 . 361 . A 10 DG H8 . 34062 1 106 . 1 1 10 10 DG C4' C 13 86.666 . . 1 . 543 . A 10 DG C4' . 34062 1 107 . 1 1 10 10 DG C8 C 13 137.640 . . 1 . 447 . A 10 DG C8 . 34062 1 108 . 1 1 11 11 DG H1 H 1 11.434 0.003 . 1 . 490 . A 11 DG H1 . 34062 1 109 . 1 1 11 11 DG H1' H 1 6.317 0.004 . 1 . 381 . A 11 DG H1' . 34062 1 110 . 1 1 11 11 DG H2' H 1 2.712 0.004 . 1 . 383 . A 11 DG H2' . 34062 1 111 . 1 1 11 11 DG H2'' H 1 2.622 0.003 . 1 . 382 . A 11 DG H2'' . 34062 1 112 . 1 1 11 11 DG H3' H 1 5.065 0.004 . 1 . 458 . A 11 DG H3' . 34062 1 113 . 1 1 11 11 DG H4' H 1 4.559 0.002 . 1 . 519 . A 11 DG H4' . 34062 1 114 . 1 1 11 11 DG H8 H 1 7.967 0.003 . 1 . 371 . A 11 DG H8 . 34062 1 115 . 1 1 11 11 DG C1' C 13 84.539 . . 1 . 533 . A 11 DG C1' . 34062 1 116 . 1 1 11 11 DG C8 C 13 137.082 . . 1 . 448 . A 11 DG C8 . 34062 1 117 . 1 1 12 12 DT H1' H 1 6.244 0.005 . 1 . 541 . A 12 DT H1' . 34062 1 118 . 1 1 12 12 DT H2' H 1 2.354 0.003 . 1 . 479 . A 12 DT H2' . 34062 1 119 . 1 1 12 12 DT H2'' H 1 2.489 0.004 . 1 . 478 . A 12 DT H2'' . 34062 1 120 . 1 1 12 12 DT H3' H 1 4.733 0.004 . 1 . 515 . A 12 DT H3' . 34062 1 121 . 1 1 12 12 DT H4' H 1 4.246 0.006 . 1 . 516 . A 12 DT H4' . 34062 1 122 . 1 1 12 12 DT H6 H 1 7.573 0.003 . 1 . 476 . A 12 DT H6 . 34062 1 123 . 1 1 12 12 DT H71 H 1 1.856 0.002 . 1 . 349 . A 12 DT H71 . 34062 1 124 . 1 1 12 12 DT H72 H 1 1.856 0.002 . 1 . 349 . A 12 DT H72 . 34062 1 125 . 1 1 12 12 DT H73 H 1 1.856 0.002 . 1 . 349 . A 12 DT H73 . 34062 1 126 . 1 1 12 12 DT C1' C 13 87.658 . . 1 . 542 . A 12 DT C1' . 34062 1 127 . 1 1 12 12 DT C6 C 13 139.885 . . 1 . 477 . A 12 DT C6 . 34062 1 128 . 1 1 13 13 DT H1' H 1 5.418 0.006 . 1 . 420 . A 13 DT H1' . 34062 1 129 . 1 1 13 13 DT H2' H 1 1.417 0.003 . 1 . 421 . A 13 DT H2' . 34062 1 130 . 1 1 13 13 DT H2'' H 1 2.232 0.004 . 1 . 422 . A 13 DT H2'' . 34062 1 131 . 1 1 13 13 DT H3' H 1 4.491 0.003 . 1 . 511 . A 13 DT H3' . 34062 1 132 . 1 1 13 13 DT H4' H 1 4.021 0.003 . 1 . 523 . A 13 DT H4' . 34062 1 133 . 1 1 13 13 DT H5' H 1 3.845 0.005 . 2 . 524 . A 13 DT H5' . 34062 1 134 . 1 1 13 13 DT H5'' H 1 3.655 0.004 . 2 . 525 . A 13 DT H5'' . 34062 1 135 . 1 1 13 13 DT H6 H 1 6.701 0.003 . 1 . 418 . A 13 DT H6 . 34062 1 136 . 1 1 13 13 DT H71 H 1 1.289 0.002 . 1 . 346 . A 13 DT H71 . 34062 1 137 . 1 1 13 13 DT H72 H 1 1.289 0.002 . 1 . 346 . A 13 DT H72 . 34062 1 138 . 1 1 13 13 DT H73 H 1 1.289 0.002 . 1 . 346 . A 13 DT H73 . 34062 1 139 . 1 1 13 13 DT C4' C 13 86.652 . . 1 . 547 . A 13 DT C4' . 34062 1 140 . 1 1 13 13 DT C6 C 13 137.250 . . 1 . 419 . A 13 DT C6 . 34062 1 141 . 1 1 14 14 DA H1' H 1 6.202 0.004 . 1 . 480 . A 14 DA H1' . 34062 1 142 . 1 1 14 14 DA H2 H 1 7.365 0.001 . 1 . 503 . A 14 DA H2 . 34062 1 143 . 1 1 14 14 DA H2' H 1 2.125 0.004 . 1 . 481 . A 14 DA H2' . 34062 1 144 . 1 1 14 14 DA H2'' H 1 2.443 0.002 . 1 . 482 . A 14 DA H2'' . 34062 1 145 . 1 1 14 14 DA H3' H 1 4.626 0.004 . 1 . 512 . A 14 DA H3' . 34062 1 146 . 1 1 14 14 DA H4' H 1 4.032 0.004 . 1 . 529 . A 14 DA H4' . 34062 1 147 . 1 1 14 14 DA H5' H 1 2.796 0.005 . 1 . 342 . A 14 DA H5' . 34062 1 148 . 1 1 14 14 DA H5'' H 1 3.378 0.004 . 1 . 343 . A 14 DA H5'' . 34062 1 149 . 1 1 14 14 DA H8 H 1 7.745 0.002 . 1 . 344 . A 14 DA H8 . 34062 1 150 . 1 1 14 14 DA C1' C 13 87.472 . . 1 . 540 . A 14 DA C1' . 34062 1 151 . 1 1 14 14 DA C2 C 13 153.804 . . 1 . 504 . A 14 DA C2 . 34062 1 152 . 1 1 14 14 DA C4' C 13 87.736 . . 1 . 546 . A 14 DA C4' . 34062 1 153 . 1 1 14 14 DA C5' C 13 67.446 0.013 . 1 . 544 . A 14 DA C5' . 34062 1 154 . 1 1 14 14 DA C8 C 13 142.447 . . 1 . 426 . A 14 DA C8 . 34062 1 155 . 1 1 15 15 DG H1 H 1 11.429 0.004 . 1 . 380 . A 15 DG H1 . 34062 1 156 . 1 1 15 15 DG H1' H 1 6.078 0.005 . 1 . 330 . A 15 DG H1' . 34062 1 157 . 1 1 15 15 DG H2' H 1 3.535 0.005 . 1 . 331 . A 15 DG H2' . 34062 1 158 . 1 1 15 15 DG H2'' H 1 3.058 0.003 . 1 . 332 . A 15 DG H2'' . 34062 1 159 . 1 1 15 15 DG H3' H 1 4.814 . . 1 . 563 . A 15 DG H3' . 34062 1 160 . 1 1 15 15 DG H8 H 1 7.362 0.002 . 1 . 333 . A 15 DG H8 . 34062 1 161 . 1 1 15 15 DG C1' C 13 88.734 . . 1 . 539 . A 15 DG C1' . 34062 1 162 . 1 1 15 15 DG C8 C 13 141.474 . . 1 . 406 . A 15 DG C8 . 34062 1 163 . 1 1 16 16 DG H1 H 1 11.251 0.003 . 1 . 378 . A 16 DG H1 . 34062 1 164 . 1 1 16 16 DG H1' H 1 5.883 0.004 . 1 . 334 . A 16 DG H1' . 34062 1 165 . 1 1 16 16 DG H2' H 1 2.922 0.004 . 1 . 336 . A 16 DG H2' . 34062 1 166 . 1 1 16 16 DG H2'' H 1 2.785 0.004 . 1 . 335 . A 16 DG H2'' . 34062 1 167 . 1 1 16 16 DG H3' H 1 5.014 0.003 . 1 . 564 . A 16 DG H3' . 34062 1 168 . 1 1 16 16 DG H8 H 1 7.391 0.003 . 1 . 337 . A 16 DG H8 . 34062 1 169 . 1 1 16 16 DG C8 C 13 140.611 . . 1 . 408 . A 16 DG C8 . 34062 1 170 . 1 1 17 17 DG H1 H 1 11.029 0.003 . 1 . 467 . A 17 DG H1 . 34062 1 171 . 1 1 17 17 DG H1' H 1 6.002 0.005 . 1 . 339 . A 17 DG H1' . 34062 1 172 . 1 1 17 17 DG H2' H 1 3.121 0.004 . 1 . 340 . A 17 DG H2' . 34062 1 173 . 1 1 17 17 DG H2'' H 1 2.214 0.003 . 1 . 341 . A 17 DG H2'' . 34062 1 174 . 1 1 17 17 DG H3' H 1 5.080 0.003 . 1 . 565 . A 17 DG H3' . 34062 1 175 . 1 1 17 17 DG H4' H 1 4.322 . . 1 . 569 . A 17 DG H4' . 34062 1 176 . 1 1 17 17 DG H8 H 1 7.633 0.002 . 1 . 338 . A 17 DG H8 . 34062 1 177 . 1 1 17 17 DG C8 C 13 141.051 . . 1 . 407 . A 17 DG C8 . 34062 1 178 . 1 1 18 18 DT H1' H 1 5.926 0.003 . 1 . 470 . A 18 DT H1' . 34062 1 179 . 1 1 18 18 DT H2' H 1 2.332 0.003 . 1 . 472 . A 18 DT H2' . 34062 1 180 . 1 1 18 18 DT H2'' H 1 2.527 0.004 . 1 . 471 . A 18 DT H2'' . 34062 1 181 . 1 1 18 18 DT H3' H 1 5.072 0.002 . 1 . 566 . A 18 DT H3' . 34062 1 182 . 1 1 18 18 DT H6 H 1 7.579 0.003 . 1 . 473 . A 18 DT H6 . 34062 1 183 . 1 1 18 18 DT H71 H 1 1.710 0.004 . 1 . 345 . A 18 DT H71 . 34062 1 184 . 1 1 18 18 DT H72 H 1 1.710 0.004 . 1 . 345 . A 18 DT H72 . 34062 1 185 . 1 1 18 18 DT H73 H 1 1.710 0.004 . 1 . 345 . A 18 DT H73 . 34062 1 186 . 1 1 18 18 DT C6 C 13 141.169 . . 1 . 474 . A 18 DT C6 . 34062 1 187 . 1 1 19 19 DT H1' H 1 5.917 0.003 . 1 . 439 . A 19 DT H1' . 34062 1 188 . 1 1 19 19 DT H2' H 1 1.594 0.004 . 1 . 441 . A 19 DT H2' . 34062 1 189 . 1 1 19 19 DT H2'' H 1 2.180 0.002 . 1 . 440 . A 19 DT H2'' . 34062 1 190 . 1 1 19 19 DT H3' H 1 4.754 0.013 . 1 . 514 . A 19 DT H3' . 34062 1 191 . 1 1 19 19 DT H4' H 1 4.191 0.001 . 1 . 601 . A 19 DT H4' . 34062 1 192 . 1 1 19 19 DT H6 H 1 7.232 0.004 . 1 . 442 . A 19 DT H6 . 34062 1 193 . 1 1 19 19 DT H71 H 1 1.523 0.003 . 1 . 348 . A 19 DT H71 . 34062 1 194 . 1 1 19 19 DT H72 H 1 1.523 0.003 . 1 . 348 . A 19 DT H72 . 34062 1 195 . 1 1 19 19 DT H73 H 1 1.523 0.003 . 1 . 348 . A 19 DT H73 . 34062 1 196 . 1 1 19 19 DT C6 C 13 138.680 . . 1 . 443 . A 19 DT C6 . 34062 1 197 . 1 1 20 20 DA H1' H 1 5.749 0.003 . 1 . 364 . A 20 DA H1' . 34062 1 198 . 1 1 20 20 DA H2 H 1 7.763 0.003 . 1 . 354 . A 20 DA H2 . 34062 1 199 . 1 1 20 20 DA H2' H 1 2.779 0.002 . 1 . 366 . A 20 DA H2' . 34062 1 200 . 1 1 20 20 DA H2'' H 1 2.855 0.003 . 1 . 365 . A 20 DA H2'' . 34062 1 201 . 1 1 20 20 DA H3' H 1 4.985 0.003 . 1 . 444 . A 20 DA H3' . 34062 1 202 . 1 1 20 20 DA H4' H 1 4.310 0.002 . 1 . 555 . A 20 DA H4' . 34062 1 203 . 1 1 20 20 DA H5' H 1 4.050 . . 2 . 574 . A 20 DA H5' . 34062 1 204 . 1 1 20 20 DA H5'' H 1 3.941 0.001 . 2 . 575 . A 20 DA H5'' . 34062 1 205 . 1 1 20 20 DA H8 H 1 8.252 0.002 . 1 . 367 . A 20 DA H8 . 34062 1 206 . 1 1 20 20 DA C1' C 13 84.742 . . 1 . 537 . A 20 DA C1' . 34062 1 207 . 1 1 20 20 DA C2 C 13 154.380 . . 1 . 415 . A 20 DA C2 . 34062 1 208 . 1 1 20 20 DA C8 C 13 141.508 . . 1 . 438 . A 20 DA C8 . 34062 1 209 . 1 1 21 21 GF2 H1' H 1 5.991 0.003 . 1 . 357 . A 21 GF2 H1' . 34062 1 210 . 1 1 21 21 GF2 H2' H 1 5.483 0.003 . 1 . 358 . A 21 GF2 H2' . 34062 1 211 . 1 1 21 21 GF2 H3' H 1 4.890 0.003 . 1 . 445 . A 21 GF2 H3' . 34062 1 212 . 1 1 21 21 GF2 H4' H 1 4.663 0.0 . 1 . 568 . A 21 GF2 H4' . 34062 1 213 . 1 1 21 21 GF2 H8 H 1 7.804 0.003 . 1 . 360 . A 21 GF2 H8 . 34062 1 214 . 1 1 21 21 GF2 C8 C 13 136.665 . . 1 . 410 . A 21 GF2 C8 . 34062 1 215 . 1 1 21 21 GF2 HN1 H 1 11.556 0.003 . 1 . 373 . A 21 GF2 HN1 . 34062 1 216 . 1 1 22 22 DG H1 H 1 11.144 0.003 . 1 . 374 . A 22 DG H1 . 34062 1 217 . 1 1 22 22 DG H1' H 1 6.035 0.003 . 1 . 393 . A 22 DG H1' . 34062 1 218 . 1 1 22 22 DG H2' H 1 2.499 0.003 . 1 . 394 . A 22 DG H2' . 34062 1 219 . 1 1 22 22 DG H2'' H 1 2.711 0.002 . 1 . 395 . A 22 DG H2'' . 34062 1 220 . 1 1 22 22 DG H3' H 1 4.883 0.003 . 1 . 405 . A 22 DG H3' . 34062 1 221 . 1 1 22 22 DG H4' H 1 4.437 0.003 . 1 . 552 . A 22 DG H4' . 34062 1 222 . 1 1 22 22 DG H8 H 1 7.537 0.003 . 1 . 359 . A 22 DG H8 . 34062 1 223 . 1 1 22 22 DG C8 C 13 136.687 . . 1 . 411 . A 22 DG C8 . 34062 1 224 . 1 1 23 23 DG H1 H 1 10.774 0.003 . 1 . 376 . A 23 DG H1 . 34062 1 225 . 1 1 23 23 DG H1' H 1 5.850 0.003 . 1 . 397 . A 23 DG H1' . 34062 1 226 . 1 1 23 23 DG H2' H 1 2.109 0.004 . 1 . 398 . A 23 DG H2' . 34062 1 227 . 1 1 23 23 DG H2'' H 1 2.481 0.004 . 1 . 399 . A 23 DG H2'' . 34062 1 228 . 1 1 23 23 DG H3' H 1 4.912 0.006 . 1 . 550 . A 23 DG H3' . 34062 1 229 . 1 1 23 23 DG H4' H 1 4.361 0.003 . 1 . 576 . A 23 DG H4' . 34062 1 230 . 1 1 23 23 DG H5' H 1 4.189 0.002 . 2 . 577 . A 23 DG H5' . 34062 1 231 . 1 1 23 23 DG H5'' H 1 4.131 0.004 . 2 . 578 . A 23 DG H5'' . 34062 1 232 . 1 1 23 23 DG H8 H 1 7.404 0.003 . 1 . 396 . A 23 DG H8 . 34062 1 233 . 1 1 23 23 DG C8 C 13 136.904 . . 1 . 484 . A 23 DG C8 . 34062 1 234 . 1 1 24 24 DA H1' H 1 6.137 0.003 . 1 . 401 . A 24 DA H1' . 34062 1 235 . 1 1 24 24 DA H2 H 1 7.606 0.003 . 1 . 416 . A 24 DA H2 . 34062 1 236 . 1 1 24 24 DA H2' H 1 2.728 0.003 . 1 . 402 . A 24 DA H2' . 34062 1 237 . 1 1 24 24 DA H2'' H 1 2.423 0.003 . 1 . 403 . A 24 DA H2'' . 34062 1 238 . 1 1 24 24 DA H3' H 1 4.691 0.003 . 1 . 404 . A 24 DA H3' . 34062 1 239 . 1 1 24 24 DA H4' H 1 4.204 0.004 . 1 . 517 . A 24 DA H4' . 34062 1 240 . 1 1 24 24 DA H8 H 1 7.927 0.002 . 1 . 400 . A 24 DA H8 . 34062 1 241 . 1 1 24 24 DA C1' C 13 85.262 . . 1 . 536 . A 24 DA C1' . 34062 1 242 . 1 1 24 24 DA C2 C 13 154.167 . . 1 . 417 . A 24 DA C2 . 34062 1 243 . 1 1 24 24 DA C8 C 13 141.172 . . 1 . 409 . A 24 DA C8 . 34062 1 stop_ save_