################################### # 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25101 _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 $chemical_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 7 '2D NOESY' . . . 25101 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 2 2 THR HA H 1 4.3333125 0.0 . 1 . . . A 2 THR HA . 25101 1 2 . 1 1 2 2 THR HB H 1 4.06889666667 0.0 . 1 . . . A 2 THR HB . 25101 1 3 . 1 1 3 3 VAL HA H 1 3.89224 0.0 . 1 . . . A 3 VAL HA . 25101 1 4 . 1 1 3 3 VAL HB H 1 1.801695 0.0 . 1 . . . A 3 VAL HB . 25101 1 5 . 1 1 4 4 VAL HA H 1 3.93334 0.0 . 1 . . . A 4 VAL HA . 25101 1 6 . 1 1 4 4 VAL HB H 1 1.83452 0.0 . 1 . . . A 4 VAL HB . 25101 1 7 . 1 1 5 5 SER HA H 1 4.219625 0.0 . 1 . . . A 5 SER HA . 25101 1 8 . 1 1 5 5 SER HB2 H 1 3.700315 0.0 . 2 . . . A 5 SER HB2 . 25101 1 9 . 1 1 6 6 GLY HA2 H 1 3.831655 0.0 . 2 . . . A 6 GLY HA2 . 25101 1 10 . 1 1 7 7 GLN HA H 1 4.14482 0.0 . 1 . . . A 7 GLN HA . 25101 1 11 . 1 1 7 7 GLN HB2 H 1 1.7388 0.0 . 2 . . . A 7 GLN HB2 . 25101 1 12 . 1 1 7 7 GLN HG2 H 1 2.15196666667 0.0 . 2 . . . A 7 GLN HG2 . 25101 1 13 . 1 1 8 8 LYS HA H 1 3.15804 0.0 . 1 . . . A 8 LYS HA . 25101 1 14 . 1 1 8 8 LYS HE2 H 1 2.72654 0.0 . 2 . . . A 8 LYS HE2 . 25101 1 15 . 1 1 16 16 ARG HD2 H 1 2.86487 0.0 . 2 . . . A 16 ARG HD2 . 25101 1 16 . 1 1 18 18 ARG HA H 1 4.04056 0.0 . 1 . . . A 18 ARG HA . 25101 1 17 . 1 1 18 18 ARG HB2 H 1 1.51695 0.0 . 2 . . . A 18 ARG HB2 . 25101 1 18 . 1 1 18 18 ARG HG2 H 1 1.35148 0.0 . 2 . . . A 18 ARG HG2 . 25101 1 19 . 1 1 18 18 ARG HD2 H 1 2.87744 0.0 . 2 . . . A 18 ARG HD2 . 25101 1 20 . 1 1 19 19 SER HA H 1 4.19504 0.0 . 1 . . . A 19 SER HA . 25101 1 21 . 1 1 19 19 SER HB2 H 1 3.62832 0.0 . 2 . . . A 19 SER HB2 . 25101 1 22 . 1 1 21 21 LEU HA H 1 4.20494 0.0 . 1 . . . A 21 LEU HA . 25101 1 23 . 1 1 21 21 LEU HG H 1 1.30562 0.0 . 1 . . . A 21 LEU HG . 25101 1 24 . 1 1 22 22 ASP HA H 1 4.39841 0.0 . 1 . . . A 22 ASP HA . 25101 1 25 . 1 1 22 22 ASP HB2 H 1 2.63813 0.0 . 2 . . . A 22 ASP HB2 . 25101 1 26 . 1 1 23 23 ARG HA H 1 4.11448 0.0 . 1 . . . A 23 ARG HA . 25101 1 27 . 1 1 23 23 ARG HB2 H 1 1.7351 0.0 . 2 . . . A 23 ARG HB2 . 25101 1 28 . 1 1 23 23 ARG HG2 H 1 1.6182 0.0 . 2 . . . A 23 ARG HG2 . 25101 1 29 . 1 1 23 23 ARG HD2 H 1 3.06487 0.0 . 2 . . . A 23 ARG HD2 . 25101 1 30 . 1 1 26 26 CYS HA H 1 4.278955 0.0 . 1 . . . A 26 CYS HA . 25101 1 31 . 1 1 26 26 CYS HB2 H 1 1.850795 0.0 . 2 . . . A 26 CYS HB2 . 25101 1 32 . 1 1 26 26 CYS HB3 H 1 2.830545 0.0 . 2 . . . A 26 CYS HB3 . 25101 1 33 . 1 1 27 27 ALA HA H 1 3.72154333333 0.0 . 1 . . . A 27 ALA HA . 25101 1 34 . 1 1 28 28 TYR HA H 1 4.264765 0.0 . 1 . . . A 28 TYR HA . 25101 1 35 . 1 1 28 28 TYR HB2 H 1 2.9862 0.0 . 2 . . . A 28 TYR HB2 . 25101 1 36 . 1 1 28 28 TYR HB3 H 1 2.2891 0.0 . 2 . . . A 28 TYR HB3 . 25101 1 37 . 1 1 28 28 TYR HD1 H 1 7.06900684211 0.0 . 3 . . . A 28 TYR HD1 . 25101 1 38 . 1 1 28 28 TYR HE1 H 1 6.61197642857 0.0 . 3 . . . A 28 TYR HE1 . 25101 1 39 . 1 1 28 28 TYR HE2 H 1 6.50904 0.0 . 3 . . . A 28 TYR HE2 . 25101 1 40 . 1 1 29 29 CYS HA H 1 4.15013 0.0 . 1 . . . A 29 CYS HA . 25101 1 41 . 1 1 29 29 CYS HB2 H 1 2.89038 0.0 . 2 . . . A 29 CYS HB2 . 25101 1 42 . 1 1 30 30 LYS HA H 1 4.16732 0.0 . 1 . . . A 30 LYS HA . 25101 1 43 . 1 1 30 30 LYS HE2 H 1 2.554864 0.0 . 2 . . . A 30 LYS HE2 . 25101 1 44 . 1 1 31 31 GLU HA H 1 4.229175 0.0 . 1 . . . A 31 GLU HA . 25101 1 45 . 1 1 31 31 GLU HG2 H 1 2.22803 0.0 . 2 . . . A 31 GLU HG2 . 25101 1 46 . 1 1 34 34 HIS HA H 1 3.596725 0.0 . 1 . . . A 34 HIS HA . 25101 1 47 . 1 1 34 34 HIS HB2 H 1 3.5374 0.0 . 2 . . . A 34 HIS HB2 . 25101 1 48 . 1 1 34 34 HIS HD1 H 1 6.9744025 0.0 . 1 . . . A 34 HIS HD1 . 25101 1 49 . 1 1 34 34 HIS HE1 H 1 7.47655 0.0 . 1 . . . A 34 HIS HE1 . 25101 1 50 . 1 1 35 35 TRP HA H 1 5.049285 0.0 . 1 . . . A 35 TRP HA . 25101 1 51 . 1 1 35 35 TRP HB2 H 1 3.3452175 0.0 . 2 . . . A 35 TRP HB2 . 25101 1 52 . 1 1 35 35 TRP HB3 H 1 2.93862 0.0 . 2 . . . A 35 TRP HB3 . 25101 1 53 . 1 1 35 35 TRP HD1 H 1 6.774681 0.0 . 1 . . . A 35 TRP HD1 . 25101 1 54 . 1 1 35 35 TRP HE3 H 1 6.970178 0.0 . 1 . . . A 35 TRP HE3 . 25101 1 55 . 1 1 35 35 TRP HZ2 H 1 7.237385 0.0 . 1 . . . A 35 TRP HZ2 . 25101 1 56 . 1 1 35 35 TRP HZ3 H 1 6.80545375 0.0 . 1 . . . A 35 TRP HZ3 . 25101 1 57 . 1 1 35 35 TRP HH2 H 1 7.052926 0.0 . 1 . . . A 35 TRP HH2 . 25101 1 58 . 1 1 37 37 LYS HA H 1 3.98681 0.0 . 1 . . . A 37 LYS HA . 25101 1 59 . 1 1 37 37 LYS HG2 H 1 1.5813425 0.0 . 2 . . . A 37 LYS HG2 . 25101 1 60 . 1 1 38 38 ASP HA H 1 4.78504444444 0.0 . 1 . . . A 38 ASP HA . 25101 1 61 . 1 1 38 38 ASP HB2 H 1 2.83356 0.0 . 2 . . . A 38 ASP HB2 . 25101 1 62 . 1 1 39 39 CYS HB2 H 1 3.09207 0.0 . 2 . . . A 39 CYS HB2 . 25101 1 63 . 1 1 39 39 CYS HB3 H 1 2.94741 0.0 . 2 . . . A 39 CYS HB3 . 25101 1 64 . 1 1 41 41 LYS HB2 H 1 1.8018 0.0 . 2 . . . A 41 LYS HB2 . 25101 1 65 . 1 1 42 42 LYS HA H 1 3.71094 0.0 . 1 . . . A 42 LYS HA . 25101 1 66 . 1 1 42 42 LYS HG2 H 1 0.69359 0.0 . 2 . . . A 42 LYS HG2 . 25101 1 67 . 1 1 42 42 LYS HD2 H 1 1.32293 0.0 . 2 . . . A 42 LYS HD2 . 25101 1 68 . 1 1 42 42 LYS HE2 H 1 2.48154 0.0 . 2 . . . A 42 LYS HE2 . 25101 1 69 . 1 1 45 45 GLY HA2 H 1 3.61512333333 0.0 . 2 . . . A 45 GLY HA2 . 25101 1 70 . 1 1 46 46 PRO HA H 1 4.33253 0.0 . 1 . . . A 46 PRO HA . 25101 1 71 . 1 1 54 54 SER HA H 1 4.25746 0.0 . 1 . . . A 54 SER HA . 25101 1 72 . 1 1 54 54 SER HB2 H 1 3.65088 0.0 . 2 . . . A 54 SER HB2 . 25101 1 73 . 1 1 55 55 LEU HA H 1 4.22908 0.0 . 1 . . . A 55 LEU HA . 25101 1 74 . 1 1 55 55 LEU HG H 1 1.386685 0.0 . 1 . . . A 55 LEU HG . 25101 1 stop_ save_ ################################### # 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_chem_shift_list_2_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2_dup _Assigned_chem_shift_list.Entry_ID 25101 _Assigned_chem_shift_list.ID 2 _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 $chemical_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 8 '2D NOESY' . . . 25101 2 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 . 2 2 1 1 G H1' H 1 5.8549 0.0 . 1 . . . B 1 G H1' . 25101 2 2 . 2 2 1 1 G H2' H 1 4.84317 0.0 . 1 . . . B 1 G H2' . 25101 2 3 . 2 2 1 1 G H8 H 1 7.964975 0.0 . 1 . . . B 1 G H8 . 25101 2 4 . 2 2 2 2 G H8 H 1 7.46028 0.0 . 1 . . . B 2 G H8 . 25101 2 5 . 2 2 4 4 U H1' H 1 5.56974 0.0 . 1 . . . B 4 U H1' . 25101 2 6 . 2 2 4 4 U H5 H 1 5.44296 0.0 . 1 . . . B 4 U H5 . 25101 2 7 . 2 2 4 4 U H6 H 1 7.887685 0.0 . 1 . . . B 4 U H6 . 25101 2 8 . 2 2 6 6 G H1' H 1 5.70555 0.0 . 1 . . . B 6 G H1' . 25101 2 9 . 2 2 6 6 G H8 H 1 7.53632 0.0 . 1 . . . B 6 G H8 . 25101 2 10 . 2 2 7 7 U H1' H 1 5.64141 0.0 . 1 . . . B 7 U H1' . 25101 2 11 . 2 2 7 7 U H5 H 1 5.81165 0.0 . 1 . . . B 7 U H5 . 25101 2 12 . 2 2 7 7 U H6 H 1 7.86766333333 0.0 . 1 . . . B 7 U H6 . 25101 2 13 . 2 2 8 8 U H1' H 1 5.83657 0.0 . 1 . . . B 8 U H1' . 25101 2 14 . 2 2 8 8 U H5 H 1 5.80571 0.0 . 1 . . . B 8 U H5 . 25101 2 15 . 2 2 8 8 U H6 H 1 7.67588 0.0 . 1 . . . B 8 U H6 . 25101 2 16 . 2 2 9 9 G H1' H 1 5.75782 0.0 . 1 . . . B 9 G H1' . 25101 2 17 . 2 2 9 9 G H8 H 1 7.158305 0.0 . 1 . . . B 9 G H8 . 25101 2 18 . 2 2 10 10 G H1' H 1 5.779725 0.0 . 1 . . . B 10 G H1' . 25101 2 19 . 2 2 10 10 G H8 H 1 7.35231333333 0.0 . 1 . . . B 10 G H8 . 25101 2 20 . 2 2 11 11 U H1' H 1 5.552715 0.0 . 1 . . . B 11 U H1' . 25101 2 21 . 2 2 11 11 U H5 H 1 5.340205 0.0 . 1 . . . B 11 U H5 . 25101 2 22 . 2 2 11 11 U H6 H 1 7.5382375 0.0 . 1 . . . B 11 U H6 . 25101 2 23 . 2 2 12 12 C H1' H 1 5.53461 0.0 . 1 . . . B 12 C H1' . 25101 2 24 . 2 2 12 12 C H5 H 1 5.448055 0.0 . 1 . . . B 12 C H5 . 25101 2 25 . 2 2 12 12 C H6 H 1 7.656918 0.0 . 1 . . . B 12 C H6 . 25101 2 26 . 2 2 13 13 U H1' H 1 5.59061 0.0 . 1 . . . B 13 U H1' . 25101 2 27 . 2 2 13 13 U H5 H 1 5.5287 0.0 . 1 . . . B 13 U H5 . 25101 2 28 . 2 2 13 13 U H6 H 1 7.821782 0.0 . 1 . . . B 13 U H6 . 25101 2 29 . 2 2 14 14 A H1' H 1 5.85543 0.0 . 1 . . . B 14 A H1' . 25101 2 30 . 2 2 14 14 A H2 H 1 8.04324 0.0 . 1 . . . B 14 A H2 . 25101 2 31 . 2 2 14 14 A H8 H 1 8.11719 0.0 . 1 . . . B 14 A H8 . 25101 2 32 . 2 2 15 15 G H1' H 1 5.63222 0.0 . 1 . . . B 15 G H1' . 25101 2 33 . 2 2 15 15 G H8 H 1 7.87216333333 0.0 . 1 . . . B 15 G H8 . 25101 2 34 . 2 2 17 17 G H1' H 1 5.381325 0.0 . 1 . . . B 18 G H1' . 25101 2 35 . 2 2 17 17 G H8 H 1 7.219695 0.0 . 1 . . . B 18 G H8 . 25101 2 36 . 2 2 18 18 G H8 H 1 7.65396 0.0 . 1 . . . B 19 G H8 . 25101 2 37 . 2 2 19 19 U H1' H 1 5.537545 0.0 . 1 . . . B 20 U H1' . 25101 2 38 . 2 2 19 19 U H5 H 1 5.4088 0.0 . 1 . . . B 20 U H5 . 25101 2 39 . 2 2 19 19 U H6 H 1 7.520655 0.0 . 1 . . . B 20 U H6 . 25101 2 40 . 2 2 20 20 A H1' H 1 5.86758 0.0 . 1 . . . B 21 A H1' . 25101 2 41 . 2 2 20 20 A H2 H 1 8.02888 0.0 . 1 . . . B 21 A H2 . 25101 2 42 . 2 2 20 20 A H8 H 1 8.19764666667 0.0 . 1 . . . B 21 A H8 . 25101 2 43 . 2 2 21 21 U H1' H 1 5.40791 0.0 . 1 . . . B 22 U H1' . 25101 2 44 . 2 2 21 21 U H5 H 1 5.41427333333 0.0 . 1 . . . B 22 U H5 . 25101 2 45 . 2 2 21 21 U H6 H 1 7.511415 0.0 . 1 . . . B 22 U H6 . 25101 2 46 . 2 2 23 23 A H8 H 1 8.19761 0.0 . 1 . . . B 24 A H8 . 25101 2 47 . 2 2 24 24 U H6 H 1 7.51847 0.0 . 1 . . . B 25 U H6 . 25101 2 48 . 2 2 25 25 U H1' H 1 5.60265 0.0 . 1 . . . B 26 U H1' . 25101 2 49 . 2 2 25 25 U H5 H 1 5.897365 0.0 . 1 . . . B 26 U H5 . 25101 2 50 . 2 2 25 25 U H6 H 1 8.0801225 0.0 . 1 . . . B 26 U H6 . 25101 2 51 . 2 2 26 26 C H1' H 1 5.62604 0.0 . 1 . . . B 27 C H1' . 25101 2 52 . 2 2 26 26 C H5 H 1 5.80499 0.0 . 1 . . . B 27 C H5 . 25101 2 53 . 2 2 26 26 C H6 H 1 8.03657333333 0.0 . 1 . . . B 27 C H6 . 25101 2 54 . 2 2 27 27 U H1' H 1 5.52756 0.0 . 1 . . . B 28 U H1' . 25101 2 55 . 2 2 27 27 U H5 H 1 5.42166 0.0 . 1 . . . B 28 U H5 . 25101 2 56 . 2 2 27 27 U H6 H 1 7.9582375 0.0 . 1 . . . B 28 U H6 . 25101 2 57 . 2 2 28 28 C H1' H 1 5.56539 0.0 . 1 . . . B 29 C H1' . 25101 2 58 . 2 2 28 28 C H5 H 1 5.65857 0.0 . 1 . . . B 29 C H5 . 25101 2 59 . 2 2 28 28 C H6 H 1 7.84813666667 0.0 . 1 . . . B 29 C H6 . 25101 2 60 . 2 2 29 29 G H1' H 1 5.671845 0.0 . 1 . . . B 30 G H1' . 25101 2 61 . 2 2 29 29 G H8 H 1 7.59902 0.0 . 1 . . . B 30 G H8 . 25101 2 62 . 2 2 30 30 C H1' H 1 5.53208 0.0 . 1 . . . B 31 C H1' . 25101 2 63 . 2 2 30 30 C H5 H 1 5.16256 0.0 . 1 . . . B 31 C H5 . 25101 2 64 . 2 2 30 30 C H6 H 1 7.46975 0.0 . 1 . . . B 31 C H6 . 25101 2 65 . 2 2 31 31 U H1' H 1 5.852635 0.0 . 1 . . . B 32 U H1' . 25101 2 66 . 2 2 31 31 U H6 H 1 7.8941 0.0 . 1 . . . B 32 U H6 . 25101 2 67 . 2 2 32 32 U H5 H 1 5.604405 0.0 . 1 . . . B 33 U H5 . 25101 2 68 . 2 2 32 32 U H6 H 1 7.746975 0.0 . 1 . . . B 33 U H6 . 25101 2 69 . 2 2 33 33 A H1' H 1 5.80995 0.0 . 1 . . . B 34 A H1' . 25101 2 70 . 2 2 33 33 A H2 H 1 8.061025 0.0 . 1 . . . B 34 A H2 . 25101 2 71 . 2 2 33 33 A H8 H 1 8.2191 0.0 . 1 . . . B 34 A H8 . 25101 2 72 . 2 2 34 34 G H1' H 1 5.73431 0.0 . 1 . . . B 35 G H1' . 25101 2 73 . 2 2 34 34 G H8 H 1 7.87415 0.0 . 1 . . . B 35 G H8 . 25101 2 74 . 2 2 35 35 G H1' H 1 5.67109 0.0 . 1 . . . B 36 G H1' . 25101 2 75 . 2 2 35 35 G H8 H 1 7.8436 0.0 . 1 . . . B 36 G H8 . 25101 2 76 . 2 2 36 36 G H1' H 1 5.80418 0.0 . 1 . . . B 37 G H1' . 25101 2 77 . 2 2 36 36 G H8 H 1 7.96688 0.0 . 1 . . . B 37 G H8 . 25101 2 78 . 2 2 37 37 U H1' H 1 5.58082 0.0 . 1 . . . B 38 U H1' . 25101 2 79 . 2 2 37 37 U H5 H 1 5.69087 0.0 . 1 . . . B 38 U H5 . 25101 2 80 . 2 2 37 37 U H6 H 1 7.713075 0.0 . 1 . . . B 38 U H6 . 25101 2 81 . 2 2 38 38 G H1' H 1 5.54674 0.0 . 1 . . . B 39 G H1' . 25101 2 82 . 2 2 38 38 G H8 H 1 7.78508 0.0 . 1 . . . B 39 G H8 . 25101 2 83 . 2 2 39 39 C H1' H 1 5.581175 0.0 . 1 . . . B 40 C H1' . 25101 2 84 . 2 2 39 39 C H5 H 1 5.30158 0.0 . 1 . . . B 40 C H5 . 25101 2 85 . 2 2 39 39 C H6 H 1 7.65534333333 0.0 . 1 . . . B 40 C H6 . 25101 2 86 . 2 2 40 40 G H1' H 1 5.754035 0.0 . 1 . . . B 41 G H1' . 25101 2 87 . 2 2 40 40 G H8 H 1 7.573215 0.0 . 1 . . . B 41 G H8 . 25101 2 88 . 2 2 41 41 A H1' H 1 5.9304 0.0 . 1 . . . B 42 A H1' . 25101 2 89 . 2 2 41 41 A H2 H 1 7.39625333333 0.0 . 1 . . . B 42 A H2 . 25101 2 90 . 2 2 41 41 A H8 H 1 7.74718 0.0 . 1 . . . B 42 A H8 . 25101 2 91 . 2 2 42 42 G H1' H 1 5.58054666667 0.0 . 1 . . . B 43 G H1' . 25101 2 92 . 2 2 42 42 G H8 H 1 7.09116 0.0 . 1 . . . B 43 G H8 . 25101 2 93 . 2 2 43 43 A H1' H 1 5.93344 0.0 . 1 . . . B 44 A H1' . 25101 2 94 . 2 2 43 43 A H2 H 1 7.67145 0.0 . 1 . . . B 44 A H2 . 25101 2 95 . 2 2 43 43 A H8 H 1 7.59865 0.0 . 1 . . . B 44 A H8 . 25101 2 96 . 2 2 44 44 G H1' H 1 5.852795 0.0 . 1 . . . B 45 G H1' . 25101 2 97 . 2 2 44 44 G H8 H 1 7.719785 0.0 . 1 . . . B 45 G H8 . 25101 2 98 . 2 2 45 45 G H1' H 1 5.76575 0.0 . 1 . . . B 46 G H1' . 25101 2 99 . 2 2 45 45 G H8 H 1 7.45647333333 0.0 . 1 . . . B 46 G H8 . 25101 2 100 . 2 2 47 47 C H1' H 1 6.09483 0.0 . 1 . . . B 48 C H1' . 25101 2 101 . 2 2 47 47 C H5 H 1 5.57618 0.0 . 1 . . . B 48 C H5 . 25101 2 102 . 2 2 47 47 C H6 H 1 7.75285 0.0 . 1 . . . B 48 C H6 . 25101 2 103 . 2 2 50 50 G H1' H 1 5.741685 0.0 . 1 . . . B 51 G H1' . 25101 2 104 . 2 2 50 50 G H8 H 1 7.23671 0.0 . 1 . . . B 51 G H8 . 25101 2 105 . 2 2 51 51 G H1' H 1 5.74222 0.0 . 1 . . . B 52 G H1' . 25101 2 106 . 2 2 51 51 G H8 H 1 7.70075 0.0 . 1 . . . B 52 G H8 . 25101 2 107 . 2 2 52 52 G H1' H 1 5.76514 0.0 . 1 . . . B 53 G H1' . 25101 2 108 . 2 2 52 52 G H8 H 1 7.146312 0.0 . 1 . . . B 53 G H8 . 25101 2 109 . 2 2 53 53 U H1' H 1 5.75039 0.0 . 1 . . . B 54 U H1' . 25101 2 110 . 2 2 53 53 U H5 H 1 5.24906 0.0 . 1 . . . B 54 U H5 . 25101 2 111 . 2 2 53 53 U H6 H 1 7.5380275 0.0 . 1 . . . B 54 U H6 . 25101 2 112 . 2 2 54 54 U H1' H 1 5.73517 0.0 . 1 . . . B 55 U H1' . 25101 2 113 . 2 2 54 54 U H5 H 1 5.72807 0.0 . 1 . . . B 55 U H5 . 25101 2 114 . 2 2 54 54 U H6 H 1 7.745795 0.0 . 1 . . . B 55 U H6 . 25101 2 115 . 2 2 55 55 C H1' H 1 5.83252 0.0 . 1 . . . B 56 C H1' . 25101 2 116 . 2 2 55 55 C H5 H 1 5.97473 0.0 . 1 . . . B 56 C H5 . 25101 2 117 . 2 2 55 55 C H6 H 1 7.91932333333 0.0 . 1 . . . B 56 C H6 . 25101 2 118 . 2 2 56 56 A H1' H 1 5.75172 0.0 . 1 . . . B 57 A H1' . 25101 2 119 . 2 2 56 56 A H2 H 1 7.98858 0.0 . 1 . . . B 57 A H2 . 25101 2 120 . 2 2 56 56 A H8 H 1 8.089726 0.0 . 1 . . . B 57 A H8 . 25101 2 121 . 2 2 57 57 A H1' H 1 6.152935 0.0 . 1 . . . B 58 A H1' . 25101 2 122 . 2 2 57 57 A H2 H 1 8.06238 0.0 . 1 . . . B 58 A H2 . 25101 2 123 . 2 2 57 57 A H8 H 1 8.46881 0.0 . 1 . . . B 58 A H8 . 25101 2 124 . 2 2 58 58 A H1' H 1 5.95892 0.0 . 1 . . . B 59 A H1' . 25101 2 125 . 2 2 58 58 A H2 H 1 7.928695 0.0 . 1 . . . B 59 A H2 . 25101 2 126 . 2 2 58 58 A H8 H 1 8.27152 0.0 . 1 . . . B 59 A H8 . 25101 2 127 . 2 2 59 59 U H1' H 1 6.01073 0.0 . 1 . . . B 60 U H1' . 25101 1 128 . 2 2 59 59 U H5 H 1 5.91826 0.0 . 1 . . . B 60 U H5 . 25101 1 129 . 2 2 59 59 U H6 H 1 7.8681525 0.0 . 1 . . . B 60 U H6 . 25101 1 130 . 2 2 60 60 C H1' H 1 5.32931 0.0 . 1 . . . B 61 C H1' . 25101 1 131 . 2 2 60 60 C H5 H 1 5.684595 0.0 . 1 . . . B 61 C H5 . 25101 1 132 . 2 2 60 60 C H6 H 1 7.790755 0.0 . 1 . . . B 61 C H6 . 25101 1 133 . 2 2 61 61 C H1' H 1 5.59603 0.0 . 1 . . . B 62 C H1' . 25101 1 134 . 2 2 61 61 C H5 H 1 5.5388 0.0 . 1 . . . B 62 C H5 . 25101 1 135 . 2 2 61 61 C H6 H 1 7.89030333333 0.0 . 1 . . . B 62 C H6 . 25101 1 136 . 2 2 63 63 G H1' H 1 5.70305 0.0 . 1 . . . B 64 G H1' . 25101 1 137 . 2 2 64 64 G H1' H 1 5.69597666667 0.0 . 1 . . . B 65 G H1' . 25101 1 138 . 2 2 64 64 G H8 H 1 7.2041 0.0 . 1 . . . B 65 G H8 . 25101 1 139 . 2 2 65 65 A H1' H 1 5.95888666667 0.0 . 1 . . . B 66 A H1' . 25101 1 140 . 2 2 65 65 A H2 H 1 7.80721 0.0 . 1 . . . B 66 A H2 . 25101 1 141 . 2 2 65 65 A H8 H 1 7.76927 0.0 . 1 . . . B 66 A H8 . 25101 1 142 . 2 2 66 66 C H1' H 1 5.470735 0.0 . 1 . . . B 67 C H1' . 25101 1 143 . 2 2 66 66 C H5 H 1 5.28384 0.0 . 1 . . . B 67 C H5 . 25101 1 144 . 2 2 66 66 C H6 H 1 7.498345 0.0 . 1 . . . B 67 C H6 . 25101 1 145 . 2 2 70 70 C H5 H 1 5.48187 0.0 . 1 . . . B 71 C H5 . 25101 1 146 . 2 2 70 70 C H6 H 1 7.65959 0.0 . 1 . . . B 71 C H6 . 25101 1 147 . 2 2 71 71 C H5 H 1 5.47057 0.0 . 1 . . . B 72 C H5 . 25101 1 148 . 2 2 71 71 C H6 H 1 7.83234 0.0 . 1 . . . B 72 C H6 . 25101 1 stop_ save_ ################################### # 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_chem_shift_list_2_dup_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2_dup_dup _Assigned_chem_shift_list.Entry_ID 25101 _Assigned_chem_shift_list.ID 3 _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 $chemical_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 9 '2D NOESY' . . . 25101 3 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 . 2 2 1 1 G C8 C 13 139.3 0 . 1 . . . B 1 G C8 . 25101 3 2 . 2 2 4 4 U C1' C 13 96.3 0 . 1 . . . B 4 U C1' . 25101 3 3 . 2 2 9 9 G C8 C 13 135.59 0 . 1 . . . B 9 G C8 . 25101 3 4 . 2 2 10 10 G C8 C 13 135.6 0 . 1 . . . B 10 G C8 . 25101 3 5 . 2 2 11 11 U C1' C 13 95.93 0 . 1 . . . B 11 U C1' . 25101 3 6 . 2 2 13 13 U C1' C 13 96.15 0 . 1 . . . B 13 U C1' . 25101 3 7 . 2 2 15 15 G C8 C 13 136.96 0 . 1 . . . B 15 G C8 . 25101 3 8 . 2 2 16 16 G C8 C 13 140.63 0 . 1 . . . B 16 G C8 . 25101 3 9 . 2 2 17 17 G C8 C 13 138.05 0 . 1 . . . B 18 G C8 . 25101 3 10 . 2 2 21 21 U C1' C 13 94.22 0 . 1 . . . B 22 U C1' . 25101 3 11 . 2 2 24 24 U C1' C 13 93.5 0 . 1 . . . B 25 U C1' . 25101 3 12 . 2 2 25 25 U C1' C 13 96.18 0 . 1 . . . B 26 U C1' . 25101 3 13 . 2 2 27 27 U C1' C 13 96.27 0 . 1 . . . B 28 U C1' . 25101 3 14 . 2 2 29 29 G C8 C 13 135.98 0 . 1 . . . B 30 G C8 . 25101 3 15 . 2 2 31 31 U C1' C 13 94.45 0 . 1 . . . B 32 U C1' . 25101 3 16 . 2 2 32 32 U C1' C 13 95.39 0 . 1 . . . B 33 U C1' . 25101 3 17 . 2 2 34 34 G C8 C 13 140.07 0 . 1 . . . B 35 G C8 . 25101 3 18 . 2 2 35 35 G C8 C 13 139.76 0 . 1 . . . B 36 G C8 . 25101 3 19 . 2 2 36 36 G C8 C 13 140.1 0 . 1 . . . B 37 G C8 . 25101 3 20 . 2 2 37 37 U C1' C 13 96.26 0 . 1 . . . B 38 U C1' . 25101 3 21 . 2 2 38 38 G C8 C 13 137.11 0 . 1 . . . B 39 G C8 . 25101 3 22 . 2 2 42 42 G C8 C 13 135.61 0 . 1 . . . B 43 G C8 . 25101 3 23 . 2 2 44 44 G C8 C 13 138.32 0 . 1 . . . B 45 G C8 . 25101 3 24 . 2 2 45 45 G C8 C 13 137.33 0 . 1 . . . B 46 G C8 . 25101 3 25 . 2 2 46 46 U C1' C 13 93.76 0 . 1 . . . B 47 U C1' . 25101 3 26 . 2 2 50 50 G C8 C 13 136.02 0 . 1 . . . B 51 G C8 . 25101 3 27 . 2 2 52 52 G C8 C 13 135.96 0 . 1 . . . B 53 G C8 . 25101 3 28 . 2 2 53 53 U C1' C 13 94.49 0 . 1 . . . B 54 U C1' . 25101 3 29 . 2 2 54 54 U C1' C 13 93.32 0 . 1 . . . B 55 U C1' . 25101 3 30 . 2 2 59 59 U C1' C 13 93.07 0 . 1 . . . B 60 U C1' . 25101 3 31 . 2 2 64 64 G C8 C 13 135.99 0 . 1 . . . B 65 G C8 . 25101 3 32 . 2 2 67 67 G C8 C 13 136.01 0 . 1 . . . B 68 G C8 . 25101 3 33 . 2 2 69 69 G C8 C 13 135.96 0 . 1 . . . B 70 G C8 . 25101 3 stop_ save_ ################################### # 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_chem_shift_list_2_dup_dup_dup _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2_dup_dup_dup _Assigned_chem_shift_list.Entry_ID 25101 _Assigned_chem_shift_list.ID 4 _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 $chemical_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 10 '2D NOESY' . . . 25101 4 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 . 2 2 6 6 G H1' H 1 5.55020625 0.0 . 1 . . . B 6 G H1' . 25101 4 2 . 2 2 6 6 G H2' H 1 3.53274 0.0 . 1 . . . B 6 G H2' . 25101 4 3 . 2 2 6 6 G H3' H 1 4.268976 0.0 . 1 . . . B 6 G H3' . 25101 4 4 . 2 2 6 6 G H5' H 1 3.82485 0.0 . 2 . . . B 6 G H5' . 25101 4 5 . 2 2 6 6 G H5'' H 1 4.03537 0.0 . 2 . . . B 6 G H5'' . 25101 4 6 . 2 2 6 6 G H8 H 1 7.72087 0.0 . 1 . . . B 6 G H8 . 25101 4 7 . 2 2 7 7 U H1' H 1 5.78417722222 0.0 . 1 . . . B 7 U H1' . 25101 4 8 . 2 2 7 7 U H2' H 1 4.1024125 0.0 . 1 . . . B 7 U H2' . 25101 4 9 . 2 2 7 7 U H3' H 1 4.3081375 0.0 . 1 . . . B 7 U H3' . 25101 4 10 . 2 2 7 7 U H4' H 1 4.57903 0.0 . 1 . . . B 7 U H4' . 25101 4 11 . 2 2 7 7 U H5 H 1 5.84887818182 0.0 . 1 . . . B 7 U H5 . 25101 4 12 . 2 2 7 7 U H5' H 1 3.834744 0.0 . 2 . . . B 7 U H5' . 25101 4 13 . 2 2 7 7 U H5'' H 1 3.92492 0.0 . 2 . . . B 7 U H5'' . 25101 4 14 . 2 2 7 7 U H6 H 1 7.76035214286 0.0 . 1 . . . B 7 U H6 . 25101 4 15 . 2 2 8 8 U H1' H 1 5.713719 0.0 . 1 . . . B 8 U H1' . 25101 4 16 . 2 2 8 8 U H2' H 1 4.061845 0.0 . 1 . . . B 8 U H2' . 25101 4 17 . 2 2 8 8 U H3' H 1 4.23449666667 0.0 . 1 . . . B 8 U H3' . 25101 4 18 . 2 2 8 8 U H4' H 1 4.23824666667 0.0 . 1 . . . B 8 U H4' . 25101 4 19 . 2 2 8 8 U H5 H 1 5.616590625 0.0 . 1 . . . B 8 U H5 . 25101 4 20 . 2 2 8 8 U H5' H 1 3.83183 0.0 . 2 . . . B 8 U H5' . 25101 4 21 . 2 2 8 8 U H6 H 1 7.5198025 0.0 . 1 . . . B 8 U H6 . 25101 4 22 . 2 2 9 9 G H1' H 1 5.286549 0.0 . 1 . . . B 9 G H1' . 25101 4 23 . 2 2 9 9 G H2' H 1 4.27899 0.0 . 1 . . . B 9 G H2' . 25101 4 24 . 2 2 9 9 G H3' H 1 4.24854 0.0 . 1 . . . B 9 G H3' . 25101 4 25 . 2 2 9 9 G H4' H 1 3.93692 0.0 . 1 . . . B 9 G H4' . 25101 4 26 . 2 2 9 9 G H5' H 1 3.80757 0.0 . 2 . . . B 9 G H5' . 25101 4 27 . 2 2 9 9 G H5'' H 1 3.89628 0.0 . 2 . . . B 9 G H5'' . 25101 4 28 . 2 2 9 9 G H8 H 1 7.6518565 0.0 . 1 . . . B 9 G H8 . 25101 4 stop_ save_