################################### # 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 34741 _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' . . . 34741 1 2 '2D 1H-1H COSY' . . . 34741 1 3 '2D 1H-1H TOCSY' . . . 34741 1 4 '2D 1H-13C HSQC' . . . 34741 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 12.139 0.004 . 1 . . 356 . A 1 DG H1 . 34741 1 2 . 1 . 1 1 1 DG H1' H 1 6.009 0.001 . 1 . . 336 . A 1 DG H1' . 34741 1 3 . 1 . 1 1 1 DG H2' H 1 2.795 0.001 . 1 . . 357 . A 1 DG H2' . 34741 1 4 . 1 . 1 1 1 DG H2'' H 1 2.943 0.01 . 1 . . 342 . A 1 DG H2'' . 34741 1 5 . 1 . 1 1 1 DG H3' H 1 4.980 . . 1 . . 407 . A 1 DG H3' . 34741 1 6 . 1 . 1 1 1 DG H8 H 1 7.432 0.003 . 1 . . 335 . A 1 DG H8 . 34741 1 7 . 1 . 1 1 1 DG C8 C 13 141.397 . . 1 . . 447 . A 1 DG C8 . 34741 1 8 . 1 . 1 2 2 DG H1 H 1 12.159 0.004 . 1 . . 355 . A 2 DG H1 . 34741 1 9 . 1 . 1 2 2 DG H1' H 1 5.988 0.002 . 1 . . 283 . A 2 DG H1' . 34741 1 10 . 1 . 1 2 2 DG H2' H 1 2.966 0.003 . 1 . . 364 . A 2 DG H2' . 34741 1 11 . 1 . 1 2 2 DG H2'' H 1 2.288 0.002 . 1 . . 365 . A 2 DG H2'' . 34741 1 12 . 1 . 1 2 2 DG H3' H 1 5.098 0.001 . 1 . . 404 . A 2 DG H3' . 34741 1 13 . 1 . 1 2 2 DG H8 H 1 8.107 0.001 . 1 . . 287 . A 2 DG H8 . 34741 1 14 . 1 . 1 2 2 DG C8 C 13 137.843 . . 1 . . 441 . A 2 DG C8 . 34741 1 15 . 1 . 1 3 3 DT H1' H 1 6.133 0.002 . 1 . . 282 . A 3 DT H1' . 34741 1 16 . 1 . 1 3 3 DT H2' H 1 2.144 0.003 . 1 . . 360 . A 3 DT H2' . 34741 1 17 . 1 . 1 3 3 DT H2'' H 1 2.501 0.002 . 1 . . 362 . A 3 DT H2'' . 34741 1 18 . 1 . 1 3 3 DT H3' H 1 4.831 0.004 . 1 . . 405 . A 3 DT H3' . 34741 1 19 . 1 . 1 3 3 DT H6 H 1 7.799 0.001 . 1 . . 281 . A 3 DT H6 . 34741 1 20 . 1 . 1 3 3 DT H71 H 1 1.920 0.001 . 1 . . 358 . A 3 DT H71 . 34741 1 21 . 1 . 1 3 3 DT H72 H 1 1.920 0.001 . 1 . . 358 . A 3 DT H72 . 34741 1 22 . 1 . 1 3 3 DT H73 H 1 1.920 0.001 . 1 . . 358 . A 3 DT H73 . 34741 1 23 . 1 . 1 3 3 DT C6 C 13 139.324 . . 1 . . 459 . A 3 DT C6 . 34741 1 24 . 1 . 1 4 4 DT H1' H 1 5.909 0.003 . 1 . . 311 . A 4 DT H1' . 34741 1 25 . 1 . 1 4 4 DT H2' H 1 1.967 0.004 . 1 . . 367 . A 4 DT H2' . 34741 1 26 . 1 . 1 4 4 DT H2'' H 1 2.519 0.002 . 1 . . 366 . A 4 DT H2'' . 34741 1 27 . 1 . 1 4 4 DT H3' H 1 4.816 0.008 . 1 . . 406 . A 4 DT H3' . 34741 1 28 . 1 . 1 4 4 DT H6 H 1 7.036 0.002 . 1 . . 310 . A 4 DT H6 . 34741 1 29 . 1 . 1 4 4 DT H71 H 1 0.977 0.002 . 1 . . 348 . A 4 DT H71 . 34741 1 30 . 1 . 1 4 4 DT H72 H 1 0.977 0.002 . 1 . . 348 . A 4 DT H72 . 34741 1 31 . 1 . 1 4 4 DT H73 H 1 0.977 0.002 . 1 . . 348 . A 4 DT H73 . 34741 1 32 . 1 . 1 4 4 DT C6 C 13 137.622 . . 1 . . 450 . A 4 DT C6 . 34741 1 33 . 1 . 1 5 5 DG H1 H 1 12.175 0.002 . 1 . . 314 . A 5 DG H1 . 34741 1 34 . 1 . 1 5 5 DG H1' H 1 5.886 0.002 . 1 . . 337 . A 5 DG H1' . 34741 1 35 . 1 . 1 5 5 DG H2' H 1 3.364 0.002 . 1 . . 352 . A 5 DG H2' . 34741 1 36 . 1 . 1 5 5 DG H2'' H 1 2.841 0.003 . 1 . . 353 . A 5 DG H2'' . 34741 1 37 . 1 . 1 5 5 DG H3' H 1 4.820 0.002 . 1 . . 410 . A 5 DG H3' . 34741 1 38 . 1 . 1 5 5 DG H8 H 1 7.250 0.002 . 1 . . 317 . A 5 DG H8 . 34741 1 39 . 1 . 1 5 5 DG C8 C 13 142.696 . . 1 . . 456 . A 5 DG C8 . 34741 1 40 . 1 . 1 6 6 DG H1 H 1 11.092 0.005 . 1 . . 319 . A 6 DG H1 . 34741 1 41 . 1 . 1 6 6 DG H1' H 1 5.507 0.001 . 1 . . 325 . A 6 DG H1' . 34741 1 42 . 1 . 1 6 6 DG H2' H 1 2.691 0.008 . 1 . . 376 . A 6 DG H2' . 34741 1 43 . 1 . 1 6 6 DG H2'' H 1 2.252 . . 1 . . 433 . A 6 DG H2'' . 34741 1 44 . 1 . 1 6 6 DG H3' H 1 5.060 0.002 . 1 . . 409 . A 6 DG H3' . 34741 1 45 . 1 . 1 6 6 DG H8 H 1 7.849 0.001 . 1 . . 354 . A 6 DG H8 . 34741 1 46 . 1 . 1 6 6 DG C8 C 13 137.856 . . 1 . . 445 . A 6 DG C8 . 34741 1 47 . 1 . 1 7 7 DC H1' H 1 5.090 0.001 . 1 . . 351 . A 7 DC H1' . 34741 1 48 . 1 . 1 7 7 DC H2' H 1 2.294 0.004 . 2 . . 384 . A 7 DC H2' . 34741 1 49 . 1 . 1 7 7 DC H2'' H 1 2.289 . . 2 . . 417 . A 7 DC H2'' . 34741 1 50 . 1 . 1 7 7 DC H3' H 1 4.799 0.0 . 1 . . 418 . A 7 DC H3' . 34741 1 51 . 1 . 1 7 7 DC H5 H 1 5.168 0.001 . 1 . . 276 . A 7 DC H5 . 34741 1 52 . 1 . 1 7 7 DC H6 H 1 7.296 0.002 . 1 . . 275 . A 7 DC H6 . 34741 1 53 . 1 . 1 7 7 DC H41 H 1 7.070 0.002 . 1 . . 277 . A 7 DC H41 . 34741 1 54 . 1 . 1 7 7 DC H42 H 1 6.087 0.005 . 1 . . 278 . A 7 DC H42 . 34741 1 55 . 1 . 1 7 7 DC C6 C 13 143.311 . . 1 . . 453 . A 7 DC C6 . 34741 1 56 . 1 . 1 8 8 DG H1 H 1 12.625 0.002 . 1 . . 305 . A 8 DG H1 . 34741 1 57 . 1 . 1 8 8 DG H1' H 1 5.895 0.002 . 1 . . 349 . A 8 DG H1' . 34741 1 58 . 1 . 1 8 8 DG H2' H 1 2.605 0.001 . 1 . . 383 . A 8 DG H2' . 34741 1 59 . 1 . 1 8 8 DG H2'' H 1 2.686 0.01 . 1 . . 382 . A 8 DG H2'' . 34741 1 60 . 1 . 1 8 8 DG H3' H 1 4.980 0.002 . 1 . . 411 . A 8 DG H3' . 34741 1 61 . 1 . 1 8 8 DG H8 H 1 7.830 0.003 . 1 . . 350 . A 8 DG H8 . 34741 1 62 . 1 . 1 8 8 DG C8 C 13 138.192 . . 1 . . 462 . A 8 DG C8 . 34741 1 63 . 1 . 1 9 9 DC H1' H 1 5.528 0.002 . 1 . . 298 . A 9 DC H1' . 34741 1 64 . 1 . 1 9 9 DC H2' H 1 1.817 0.005 . 1 . . 379 . A 9 DC H2' . 34741 1 65 . 1 . 1 9 9 DC H2'' H 1 2.230 0.003 . 1 . . 381 . A 9 DC H2'' . 34741 1 66 . 1 . 1 9 9 DC H3' H 1 4.748 0.005 . 1 . . 412 . A 9 DC H3' . 34741 1 67 . 1 . 1 9 9 DC H5 H 1 5.276 0.002 . 1 . . 296 . A 9 DC H5 . 34741 1 68 . 1 . 1 9 9 DC H6 H 1 7.171 0.003 . 1 . . 297 . A 9 DC H6 . 34741 1 69 . 1 . 1 9 9 DC H41 H 1 8.207 0.001 . 1 . . 293 . A 9 DC H41 . 34741 1 70 . 1 . 1 9 9 DC H42 H 1 6.252 0.001 . 1 . . 295 . A 9 DC H42 . 34741 1 71 . 1 . 1 9 9 DC C6 C 13 143.514 . . 1 . . 448 . A 9 DC C6 . 34741 1 72 . 1 . 1 10 10 DG H1 H 1 12.660 0.004 . 1 . . 303 . A 10 DG H1 . 34741 1 73 . 1 . 1 10 10 DG H1' H 1 5.351 0.004 . 1 . . 280 . A 10 DG H1' . 34741 1 74 . 1 . 1 10 10 DG H2' H 1 2.555 0.003 . 1 . . 386 . A 10 DG H2' . 34741 1 75 . 1 . 1 10 10 DG H2'' H 1 2.644 0.004 . 1 . . 387 . A 10 DG H2'' . 34741 1 76 . 1 . 1 10 10 DG H3' H 1 4.906 0.001 . 1 . . 419 . A 10 DG H3' . 34741 1 77 . 1 . 1 10 10 DG H8 H 1 7.783 0.002 . 1 . . 279 . A 10 DG H8 . 34741 1 78 . 1 . 1 10 10 DG C8 C 13 138.200 . . 1 . . 461 . A 10 DG C8 . 34741 1 79 . 1 . 1 11 11 DA H1' H 1 5.836 0.002 . 1 . . 266 . A 11 DA H1' . 34741 1 80 . 1 . 1 11 11 DA H2 H 1 7.521 0.006 . 1 . . 271 . A 11 DA H2 . 34741 1 81 . 1 . 1 11 11 DA H2' H 1 2.244 0.002 . 1 . . 388 . A 11 DA H2' . 34741 1 82 . 1 . 1 11 11 DA H2'' H 1 2.560 0.002 . 1 . . 389 . A 11 DA H2'' . 34741 1 83 . 1 . 1 11 11 DA H3' H 1 4.910 0.001 . 1 . . 421 . A 11 DA H3' . 34741 1 84 . 1 . 1 11 11 DA H8 H 1 7.851 0.001 . 1 . . 265 . A 11 DA H8 . 34741 1 85 . 1 . 1 11 11 DA C2 C 13 154.459 . . 1 . . 439 . A 11 DA C2 . 34741 1 86 . 1 . 1 11 11 DA C8 C 13 140.931 . . 1 . . 446 . A 11 DA C8 . 34741 1 87 . 1 . 1 12 12 DA H1' H 1 5.835 0.003 . 1 . . 263 . A 12 DA H1' . 34741 1 88 . 1 . 1 12 12 DA H2 H 1 7.651 0.007 . 1 . . 437 . A 12 DA H2 . 34741 1 89 . 1 . 1 12 12 DA H2' H 1 2.010 0.002 . 1 . . 391 . A 12 DA H2' . 34741 1 90 . 1 . 1 12 12 DA H2'' H 1 2.380 0.003 . 1 . . 390 . A 12 DA H2'' . 34741 1 91 . 1 . 1 12 12 DA H3' H 1 4.831 0.004 . 1 . . 420 . A 12 DA H3' . 34741 1 92 . 1 . 1 12 12 DA H8 H 1 7.410 0.002 . 1 . . 264 . A 12 DA H8 . 34741 1 93 . 1 . 1 12 12 DA C2 C 13 154.931 . . 1 . . 438 . A 12 DA C2 . 34741 1 94 . 1 . 1 12 12 DA C8 C 13 139.881 . . 1 . . 463 . A 12 DA C8 . 34741 1 95 . 1 . 1 13 13 DG H1' H 1 5.340 0.003 . 1 . . 262 . A 13 DG H1' . 34741 1 96 . 1 . 1 13 13 DG H2' H 1 2.584 0.003 . 1 . . 393 . A 13 DG H2' . 34741 1 97 . 1 . 1 13 13 DG H2'' H 1 2.303 0.001 . 1 . . 392 . A 13 DG H2'' . 34741 1 98 . 1 . 1 13 13 DG H3' H 1 4.765 0.004 . 1 . . 422 . A 13 DG H3' . 34741 1 99 . 1 . 1 13 13 DG H8 H 1 7.998 0.003 . 1 . . 261 . A 13 DG H8 . 34741 1 100 . 1 . 1 13 13 DG C8 C 13 138.969 . . 1 . . 440 . A 13 DG C8 . 34741 1 101 . 1 . 1 14 14 DC H1' H 1 5.658 0.003 . 1 . . 269 . A 14 DC H1' . 34741 1 102 . 1 . 1 14 14 DC H2' H 1 1.550 0.004 . 1 . . 377 . A 14 DC H2' . 34741 1 103 . 1 . 1 14 14 DC H2'' H 1 2.002 0.003 . 1 . . 378 . A 14 DC H2'' . 34741 1 104 . 1 . 1 14 14 DC H3' H 1 4.374 0.002 . 1 . . 423 . A 14 DC H3' . 34741 1 105 . 1 . 1 14 14 DC H5 H 1 5.174 0.002 . 1 . . 268 . A 14 DC H5 . 34741 1 106 . 1 . 1 14 14 DC H6 H 1 7.157 0.001 . 1 . . 267 . A 14 DC H6 . 34741 1 107 . 1 . 1 14 14 DC C6 C 13 143.501 . . 1 . . 452 . A 14 DC C6 . 34741 1 108 . 1 . 1 15 15 DA H1' H 1 6.263 0.003 . 1 . . 259 . A 15 DA H1' . 34741 1 109 . 1 . 1 15 15 DA H2 H 1 7.996 . . 1 . . 435 . A 15 DA H2 . 34741 1 110 . 1 . 1 15 15 DA H2' H 1 2.950 0.005 . 1 . . 375 . A 15 DA H2' . 34741 1 111 . 1 . 1 15 15 DA H2'' H 1 2.889 0.003 . 1 . . 374 . A 15 DA H2'' . 34741 1 112 . 1 . 1 15 15 DA H3' H 1 4.772 0.001 . 1 . . 403 . A 15 DA H3' . 34741 1 113 . 1 . 1 15 15 DA H8 H 1 8.037 0.003 . 1 . . 258 . A 15 DA H8 . 34741 1 114 . 1 . 1 15 15 DA C2 C 13 155.388 . . 1 . . 467 . A 15 DA C2 . 34741 1 115 . 1 . 1 15 15 DA C8 C 13 143.049 . . 1 . . 443 . A 15 DA C8 . 34741 1 116 . 1 . 1 16 16 DT H1' H 1 5.630 0.001 . 1 . . 270 . A 16 DT H1' . 34741 1 117 . 1 . 1 16 16 DT H2' H 1 2.059 0.006 . 1 . . 395 . A 16 DT H2' . 34741 1 118 . 1 . 1 16 16 DT H2'' H 1 2.442 0.005 . 1 . . 397 . A 16 DT H2'' . 34741 1 119 . 1 . 1 16 16 DT H3 H 1 13.228 0.0 . 1 . . 273 . A 16 DT H3 . 34741 1 120 . 1 . 1 16 16 DT H3' H 1 4.691 0.003 . 1 . . 425 . A 16 DT H3' . 34741 1 121 . 1 . 1 16 16 DT H6 H 1 7.350 0.001 . 1 . . 260 . A 16 DT H6 . 34741 1 122 . 1 . 1 16 16 DT H71 H 1 1.784 0.001 . 1 . . 394 . A 16 DT H71 . 34741 1 123 . 1 . 1 16 16 DT H72 H 1 1.784 0.001 . 1 . . 394 . A 16 DT H72 . 34741 1 124 . 1 . 1 16 16 DT H73 H 1 1.784 0.001 . 1 . . 394 . A 16 DT H73 . 34741 1 125 . 1 . 1 16 16 DT C6 C 13 139.348 . . 1 . . 464 . A 16 DT C6 . 34741 1 126 . 1 . 1 17 17 DT H1' H 1 5.981 0.004 . 1 . . 313 . A 17 DT H1' . 34741 1 127 . 1 . 1 17 17 DT H2' H 1 2.119 0.003 . 1 . . 398 . A 17 DT H2' . 34741 1 128 . 1 . 1 17 17 DT H2'' H 1 2.407 0.003 . 1 . . 399 . A 17 DT H2'' . 34741 1 129 . 1 . 1 17 17 DT H3 H 1 13.807 0.002 . 1 . . 272 . A 17 DT H3 . 34741 1 130 . 1 . 1 17 17 DT H3' H 1 4.804 0.006 . 1 . . 426 . A 17 DT H3' . 34741 1 131 . 1 . 1 17 17 DT H6 H 1 7.353 0.002 . 1 . . 312 . A 17 DT H6 . 34741 1 132 . 1 . 1 17 17 DT H71 H 1 1.561 0.0 . 1 . . 396 . A 17 DT H71 . 34741 1 133 . 1 . 1 17 17 DT H72 H 1 1.561 0.0 . 1 . . 396 . A 17 DT H72 . 34741 1 134 . 1 . 1 17 17 DT H73 H 1 1.561 0.0 . 1 . . 396 . A 17 DT H73 . 34741 1 135 . 1 . 1 17 17 DT C6 C 13 139.348 . . 1 . . 465 . A 17 DT C6 . 34741 1 136 . 1 . 1 18 18 DC H1' H 1 5.519 0.003 . 1 . . 290 . A 18 DC H1' . 34741 1 137 . 1 . 1 18 18 DC H2' H 1 1.952 0.004 . 1 . . 380 . A 18 DC H2' . 34741 1 138 . 1 . 1 18 18 DC H2'' H 1 2.258 0.007 . 1 . . 400 . A 18 DC H2'' . 34741 1 139 . 1 . 1 18 18 DC H3' H 1 4.743 0.004 . 1 . . 428 . A 18 DC H3' . 34741 1 140 . 1 . 1 18 18 DC H5 H 1 5.565 0.002 . 1 . . 300 . A 18 DC H5 . 34741 1 141 . 1 . 1 18 18 DC H6 H 1 7.381 0.001 . 1 . . 302 . A 18 DC H6 . 34741 1 142 . 1 . 1 18 18 DC H41 H 1 8.439 0.001 . 1 . . 299 . A 18 DC H41 . 34741 1 143 . 1 . 1 18 18 DC H42 H 1 6.779 0.003 . 1 . . 301 . A 18 DC H42 . 34741 1 144 . 1 . 1 18 18 DC C6 C 13 143.501 . . 1 . . 454 . A 18 DC C6 . 34741 1 145 . 1 . 1 19 19 DG H1 H 1 12.727 0.001 . 1 . . 294 . A 19 DG H1 . 34741 1 146 . 1 . 1 19 19 DG H1' H 1 5.623 0.005 . 1 . . 291 . A 19 DG H1' . 34741 1 147 . 1 . 1 19 19 DG H2' H 1 2.435 0.001 . 1 . . 328 . A 19 DG H2' . 34741 1 148 . 1 . 1 19 19 DG H2'' H 1 2.487 0.003 . 1 . . 329 . A 19 DG H2'' . 34741 1 149 . 1 . 1 19 19 DG H3' H 1 4.813 0.004 . 1 . . 427 . A 19 DG H3' . 34741 1 150 . 1 . 1 19 19 DG H8 H 1 7.708 0.002 . 1 . . 289 . A 19 DG H8 . 34741 1 151 . 1 . 1 19 19 DG C8 C 13 138.127 . . 1 . . 466 . A 19 DG C8 . 34741 1 152 . 1 . 1 20 20 DC H1' H 1 5.605 0.002 . 1 . . 327 . A 20 DC H1' . 34741 1 153 . 1 . 1 20 20 DC H2' H 1 1.278 0.003 . 1 . . 326 . A 20 DC H2' . 34741 1 154 . 1 . 1 20 20 DC H2'' H 1 1.990 0.004 . 1 . . 330 . A 20 DC H2'' . 34741 1 155 . 1 . 1 20 20 DC H3' H 1 4.667 0.001 . 1 . . 429 . A 20 DC H3' . 34741 1 156 . 1 . 1 20 20 DC H5 H 1 4.956 0.002 . 1 . . 307 . A 20 DC H5 . 34741 1 157 . 1 . 1 20 20 DC H6 H 1 6.885 0.003 . 1 . . 292 . A 20 DC H6 . 34741 1 158 . 1 . 1 20 20 DC H41 H 1 7.859 0.0 . 1 . . 304 . A 20 DC H41 . 34741 1 159 . 1 . 1 20 20 DC H42 H 1 5.994 0.001 . 1 . . 306 . A 20 DC H42 . 34741 1 160 . 1 . 1 20 20 DC C6 C 13 142.045 . . 1 . . 451 . A 20 DC C6 . 34741 1 161 . 1 . 1 21 21 DG H1 H 1 12.028 0.003 . 1 . . 274 . A 21 DG H1 . 34741 1 162 . 1 . 1 21 21 DG H1' H 1 5.289 0.002 . 1 . . 332 . A 21 DG H1' . 34741 1 163 . 1 . 1 21 21 DG H2' H 1 2.557 0.005 . 1 . . 333 . A 21 DG H2' . 34741 1 164 . 1 . 1 21 21 DG H2'' H 1 2.612 0.002 . 1 . . 334 . A 21 DG H2'' . 34741 1 165 . 1 . 1 21 21 DG H3' H 1 4.988 0.002 . 1 . . 430 . A 21 DG H3' . 34741 1 166 . 1 . 1 21 21 DG H8 H 1 7.665 0.001 . 1 . . 331 . A 21 DG H8 . 34741 1 167 . 1 . 1 21 21 DG C8 C 13 138.282 . . 1 . . 460 . A 21 DG C8 . 34741 1 168 . 1 . 1 22 22 DG H1 H 1 10.817 0.003 . 1 . . 318 . A 22 DG H1 . 34741 1 169 . 1 . 1 22 22 DG H1' H 1 5.828 0.001 . 1 . . 321 . A 22 DG H1' . 34741 1 170 . 1 . 1 22 22 DG H2' H 1 3.242 0.003 . 1 . . 372 . A 22 DG H2' . 34741 1 171 . 1 . 1 22 22 DG H2'' H 1 2.658 0.003 . 1 . . 402 . A 22 DG H2'' . 34741 1 172 . 1 . 1 22 22 DG H3' H 1 4.891 0.0 . 1 . . 431 . A 22 DG H3' . 34741 1 173 . 1 . 1 22 22 DG H8 H 1 7.172 0.002 . 1 . . 322 . A 22 DG H8 . 34741 1 174 . 1 . 1 22 22 DG C8 C 13 142.208 . . 1 . . 457 . A 22 DG C8 . 34741 1 175 . 1 . 1 23 23 DG H1 H 1 11.531 0.002 . 1 . . 316 . A 23 DG H1 . 34741 1 176 . 1 . 1 23 23 DG H1' H 1 5.853 0.004 . 1 . . 286 . A 23 DG H1' . 34741 1 177 . 1 . 1 23 23 DG H2' H 1 2.870 0.005 . 1 . . 371 . A 23 DG H2' . 34741 1 178 . 1 . 1 23 23 DG H2'' H 1 2.207 0.004 . 1 . . 370 . A 23 DG H2'' . 34741 1 179 . 1 . 1 23 23 DG H3' H 1 5.022 0.001 . 1 . . 424 . A 23 DG H3' . 34741 1 180 . 1 . 1 23 23 DG H8 H 1 8.039 0.002 . 1 . . 288 . A 23 DG H8 . 34741 1 181 . 1 . 1 23 23 DG C8 C 13 137.741 . . 1 . . 444 . A 23 DG C8 . 34741 1 182 . 1 . 1 24 24 DT H1' H 1 6.108 0.001 . 1 . . 285 . A 24 DT H1' . 34741 1 183 . 1 . 1 24 24 DT H2' H 1 2.101 0.003 . 1 . . 361 . A 24 DT H2' . 34741 1 184 . 1 . 1 24 24 DT H2'' H 1 2.470 0.005 . 1 . . 363 . A 24 DT H2'' . 34741 1 185 . 1 . 1 24 24 DT H3' H 1 4.798 0.002 . 1 . . 432 . A 24 DT H3' . 34741 1 186 . 1 . 1 24 24 DT H6 H 1 7.740 0.002 . 1 . . 284 . A 24 DT H6 . 34741 1 187 . 1 . 1 24 24 DT H71 H 1 1.857 0.002 . 1 . . 359 . A 24 DT H71 . 34741 1 188 . 1 . 1 24 24 DT H72 H 1 1.857 0.002 . 1 . . 359 . A 24 DT H72 . 34741 1 189 . 1 . 1 24 24 DT H73 H 1 1.857 0.002 . 1 . . 359 . A 24 DT H73 . 34741 1 190 . 1 . 1 24 24 DT C6 C 13 139.272 . . 1 . . 458 . A 24 DT C6 . 34741 1 191 . 1 . 1 25 25 DT H1' H 1 5.903 0.001 . 1 . . 309 . A 25 DT H1' . 34741 1 192 . 1 . 1 25 25 DT H2' H 1 1.911 0.001 . 1 . . 368 . A 25 DT H2' . 34741 1 193 . 1 . 1 25 25 DT H2'' H 1 2.513 0.002 . 1 . . 369 . A 25 DT H2'' . 34741 1 194 . 1 . 1 25 25 DT H3' H 1 4.795 . . 1 . . 408 . A 25 DT H3' . 34741 1 195 . 1 . 1 25 25 DT H6 H 1 6.987 0.001 . 1 . . 308 . A 25 DT H6 . 34741 1 196 . 1 . 1 25 25 DT H71 H 1 0.865 0.004 . 1 . . 347 . A 25 DT H71 . 34741 1 197 . 1 . 1 25 25 DT H72 H 1 0.865 0.004 . 1 . . 347 . A 25 DT H72 . 34741 1 198 . 1 . 1 25 25 DT H73 H 1 0.865 0.004 . 1 . . 347 . A 25 DT H73 . 34741 1 199 . 1 . 1 25 25 DT C6 C 13 137.622 . . 1 . . 449 . A 25 DT C6 . 34741 1 200 . 1 . 1 26 26 DG H1 H 1 11.718 0.003 . 1 . . 315 . A 26 DG H1 . 34741 1 201 . 1 . 1 26 26 DG H1' H 1 5.962 0.001 . 1 . . 339 . A 26 DG H1' . 34741 1 202 . 1 . 1 26 26 DG H2' H 1 3.303 0.003 . 1 . . 344 . A 26 DG H2' . 34741 1 203 . 1 . 1 26 26 DG H2'' H 1 2.799 0.002 . 1 . . 415 . A 26 DG H2'' . 34741 1 204 . 1 . 1 26 26 DG H3' H 1 4.816 0.001 . 1 . . 414 . A 26 DG H3' . 34741 1 205 . 1 . 1 26 26 DG H8 H 1 7.393 0.002 . 1 . . 338 . A 26 DG H8 . 34741 1 206 . 1 . 1 26 26 DG C8 C 13 142.190 . . 1 . . 455 . A 26 DG C8 . 34741 1 207 . 1 . 1 27 27 DG H1 H 1 11.849 0.005 . 1 . . 320 . A 27 DG H1 . 34741 1 208 . 1 . 1 27 27 DG H1' H 1 6.056 0.007 . 1 . . 340 . A 27 DG H1' . 34741 1 209 . 1 . 1 27 27 DG H2' H 1 2.711 0.002 . 1 . . 373 . A 27 DG H2' . 34741 1 210 . 1 . 1 27 27 DG H2'' H 1 2.337 0.002 . 1 . . 416 . A 27 DG H2'' . 34741 1 211 . 1 . 1 27 27 DG H3' H 1 4.756 0.004 . 1 . . 413 . A 27 DG H3' . 34741 1 212 . 1 . 1 27 27 DG H8 H 1 8.043 0.002 . 1 . . 343 . A 27 DG H8 . 34741 1 213 . 1 . 1 27 27 DG C8 C 13 137.742 . . 1 . . 442 . A 27 DG C8 . 34741 1 214 . 2 . 2 1 1 LNF H1 H 1 7.01 0.0 . 1 . . 468 . A 28 LNF H1 . 34741 1 215 . 2 . 2 1 1 LNF H2 H 1 6.90 0.0 . 1 . . 469 . A 28 LNF H2 . 34741 1 216 . 2 . 2 1 1 LNF H3 H 1 7.38 0.0 . 1 . . 470 . A 28 LNF H3 . 34741 1 217 . 2 . 2 1 1 LNF H4A1 H 1 2.61 0.0 . 1 . . 471 . A 28 LNF H4A1 . 34741 1 218 . 2 . 2 1 1 LNF H4A2 H 1 2.61 0.0 . 1 . . 472 . A 28 LNF H4A2 . 34741 1 219 . 2 . 2 1 1 LNF H4A3 H 1 2.61 0.0 . 1 . . 473 . A 28 LNF H4A3 . 34741 1 220 . 2 . 2 1 1 LNF H5A1 H 1 4.73 0.0 . 1 . . 474 . A 28 LNF H5A1 . 34741 1 221 . 2 . 2 1 1 LNF H5A2 H 1 4.73 0.0 . 1 . . 475 . A 28 LNF H5A2 . 34741 1 222 . 2 . 2 1 1 LNF H5A3 H 1 4.73 0.0 . 1 . . 476 . A 28 LNF H5A3 . 34741 1 223 . 2 . 2 1 1 LNF H6 H 1 7.76 0.0 . 1 . . 477 . A 28 LNF H6 . 34741 1 224 . 2 . 2 1 1 LNF H7 H 1 6.80 0.0 . 1 . . 478 . A 28 LNF H7 . 34741 1 225 . 2 . 2 1 1 LNF H8 H 1 7.00 0.0 . 1 . . 479 . A 28 LNF H8 . 34741 1 226 . 2 . 2 1 1 LNF H9A1 H 1 1.96 0.0 . 1 . . 480 . A 28 LNF H9A1 . 34741 1 227 . 2 . 2 1 1 LNF H9A2 H 1 1.96 0.0 . 1 . . 481 . A 28 LNF H9A2 . 34741 1 228 . 2 . 2 1 1 LNF H9A3 H 1 1.96 0.0 . 1 . . 482 . A 28 LNF H9A3 . 34741 1 229 . 2 . 2 1 1 LNF H10 H 1 10.33 0.0 . 1 . . 483 . A 28 LNF H10 . 34741 1 230 . 2 . 2 1 1 LNF H12 H 1 7.48 0.0 . 1 . . 484 . A 28 LNF H12 . 34741 1 231 . 2 . 2 1 1 LNF H13 H 1 7.59 0.0 . 1 . . 485 . A 28 LNF H13 . 34741 1 232 . 2 . 2 1 1 LNF H14 H 1 8.03 0.0 . 1 . . 486 . A 28 LNF H14 . 34741 1 233 . 2 . 2 1 1 LNF H15 H 1 8.03 0.0 . 1 . . 487 . A 28 LNF H15 . 34741 1 234 . 2 . 2 1 1 LNF H16 H 1 8.30 0.0 . 1 . . 488 . A 28 LNF H16 . 34741 1 235 . 2 . 2 1 1 LNF H171 H 1 3.38 0.0 . 1 . . 489 . A 28 LNF H171 . 34741 1 236 . 2 . 2 1 1 LNF H172 H 1 3.01 0.0 . 1 . . 490 . A 28 LNF H172 . 34741 1 237 . 2 . 2 1 1 LNF H181 H 1 1.87 0.0 . 1 . . 491 . A 28 LNF H181 . 34741 1 238 . 2 . 2 1 1 LNF H182 H 1 1.87 0.0 . 1 . . 492 . A 28 LNF H182 . 34741 1 239 . 2 . 2 1 1 LNF H191 H 1 3.06 0.0 . 1 . . 493 . A 28 LNF H191 . 34741 1 240 . 2 . 2 1 1 LNF H192 H 1 3.06 0.0 . 1 . . 494 . A 28 LNF H192 . 34741 1 241 . 2 . 2 1 1 LNF H201 H 1 3.13 0.0 . 1 . . 495 . A 28 LNF H201 . 34741 1 242 . 2 . 2 1 1 LNF H202 H 1 3.13 0.0 . 1 . . 496 . A 28 LNF H202 . 34741 1 243 . 2 . 2 1 1 LNF H221 H 1 3.13 0.0 . 1 . . 497 . A 28 LNF H221 . 34741 1 244 . 2 . 2 1 1 LNF H222 H 1 3.13 0.0 . 1 . . 498 . A 28 LNF H222 . 34741 1 245 . 2 . 2 1 1 LNF H211 H 1 1.19 0.0 . 1 . . 499 . A 28 LNF H211 . 34741 1 246 . 2 . 2 1 1 LNF H212 H 1 1.19 0.0 . 1 . . 500 . A 28 LNF H212 . 34741 1 247 . 2 . 2 1 1 LNF H213 H 1 1.19 0.0 . 1 . . 501 . A 28 LNF H213 . 34741 1 248 . 2 . 2 1 1 LNF H231 H 1 1.19 0.0 . 1 . . 502 . A 28 LNF H231 . 34741 1 249 . 2 . 2 1 1 LNF H232 H 1 1.19 0.0 . 1 . . 503 . A 28 LNF H232 . 34741 1 250 . 2 . 2 1 1 LNF H233 H 1 1.19 0.0 . 1 . . 504 . A 28 LNF H233 . 34741 1 stop_ save_