###################################
# 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 30251
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_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' . . . 30251 1
2 '2D 1H-1H NOESY' . . . 30251 1
3 '2D DQF-COSY' . . . 30251 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 2 2 DG H1 H 1 13.10769 . . . . . . . A 2 DG H1 . 30251 1
2 . 1 . 1 3 3 5CM HN41 H 1 8.49948 . . . . . . . A 3 5CM HN41 . 30251 1
3 . 1 . 1 3 3 5CM HN42 H 1 6.98712 . . . . . . . A 3 5CM HN42 . 30251 1
4 . 1 . 1 4 4 DG H1 H 1 12.63534 . . . . . . . A 4 DG H1 . 30251 1
5 . 1 . 1 5 5 DA H2 H 1 7.21024 . . . . . . . A 5 DA H2 . 30251 1
6 . 1 . 1 6 6 DA H2 H 1 7.55931 . . . . . . . A 6 DA H2 . 30251 1
7 . 1 . 1 7 7 DT H3 H 1 13.7537 . . . . . . . A 7 DT H3 . 30251 1
8 . 1 . 1 8 8 DT H3 H 1 13.85848 . . . . . . . A 8 DT H3 . 30251 1
9 . 1 . 1 9 9 5CM HN41 H 1 8.64453 . . . . . . . A 9 5CM HN41 . 30251 1
10 . 1 . 1 9 9 5CM HN42 H 1 6.50783 . . . . . . . A 9 5CM HN42 . 30251 1
11 . 1 . 1 10 10 8OG H1 H 1 13.04809 . . . . . . . A 10 8OG H1 . 30251 1
12 . 1 . 1 11 11 DC H41 H 1 8.74248 . . . . . . . A 11 DC H41 . 30251 1
13 . 1 . 1 11 11 DC H42 H 1 6.06763 . . . . . . . A 11 DC H42 . 30251 1
14 . 2 . 1 2 2 DG H1 H 1 13.10646 . . . . . . . B 14 DG H1 . 30251 1
15 . 2 . 1 3 3 5CM HN41 H 1 8.49948 . . . . . . . B 15 5CM HN41 . 30251 1
16 . 2 . 1 3 3 5CM HN42 H 1 6.98712 . . . . . . . B 15 5CM HN42 . 30251 1
17 . 2 . 1 4 4 DG H1 H 1 12.63534 . . . . . . . B 16 DG H1 . 30251 1
18 . 2 . 1 5 5 DA H2 H 1 7.21024 . . . . . . . B 17 DA H2 . 30251 1
19 . 2 . 1 6 6 DA H2 H 1 7.56537 . . . . . . . B 18 DA H2 . 30251 1
20 . 2 . 1 7 7 DT H3 H 1 13.7537 . . . . . . . B 19 DT H3 . 30251 1
21 . 2 . 1 8 8 DT H3 H 1 13.85813 . . . . . . . B 20 DT H3 . 30251 1
22 . 2 . 1 9 9 5CM HN41 H 1 8.64453 . . . . . . . B 21 5CM HN41 . 30251 1
23 . 2 . 1 9 9 5CM HN42 H 1 6.50783 . . . . . . . B 21 5CM HN42 . 30251 1
24 . 2 . 1 10 10 8OG H1 H 1 13.04809 . . . . . . . B 22 8OG H1 . 30251 1
25 . 2 . 1 11 11 DC H41 H 1 8.74248 . . . . . . . B 23 DC H41 . 30251 1
26 . 2 . 1 11 11 DC H42 H 1 6.06763 . . . . . . . B 23 DC H42 . 30251 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_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 30251
_Assigned_chem_shift_list.ID 2
_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' . . . 30251 2
2 '2D 1H-1H NOESY' . . . 30251 2
3 '2D DQF-COSY' . . . 30251 2
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 DC H1' H 1 5.78528 . . . . . . . A 1 DC H1' . 30251 2
2 . 1 . 1 1 1 DC H2' H 1 2.02658 . . . . . . . A 1 DC H2' . 30251 2
3 . 1 . 1 1 1 DC H2'' H 1 2.41938 . . . . . . . A 1 DC H2'' . 30251 2
4 . 1 . 1 1 1 DC H3' H 1 4.70607 . . . . . . . A 1 DC H3' . 30251 2
5 . 1 . 1 1 1 DC H5 H 1 5.9191 . . . . . . . A 1 DC H5 . 30251 2
6 . 1 . 1 1 1 DC H6 H 1 7.66465 . . . . . . . A 1 DC H6 . 30251 2
7 . 1 . 1 2 2 DG H1' H 1 6.00779 . . . . . . . A 2 DG H1' . 30251 2
8 . 1 . 1 2 2 DG H2' H 1 2.60862 . . . . . . . A 2 DG H2' . 30251 2
9 . 1 . 1 2 2 DG H2'' H 1 2.80798 . . . . . . . A 2 DG H2'' . 30251 2
10 . 1 . 1 2 2 DG H3' H 1 4.9665 . . . . . . . A 2 DG H3' . 30251 2
11 . 1 . 1 2 2 DG H8 H 1 7.94478 . . . . . . . A 2 DG H8 . 30251 2
12 . 1 . 1 3 3 5CM H1' H 1 5.53709 . . . . . . . A 3 5CM H1' . 30251 2
13 . 1 . 1 3 3 5CM H2' H 1 1.81975 . . . . . . . A 3 5CM H2' . 30251 2
14 . 1 . 1 3 3 5CM H2'' H 1 2.20509 . . . . . . . A 3 5CM H2'' . 30251 2
15 . 1 . 1 3 3 5CM H3' H 1 4.78897 . . . . . . . A 3 5CM H3' . 30251 2
16 . 1 . 1 3 3 5CM H5A1 H 1 1.6108 . . . . . . . A 3 5CM H5A1 . 30251 2
17 . 1 . 1 3 3 5CM H5A2 H 1 1.6108 . . . . . . . A 3 5CM H5A2 . 30251 2
18 . 1 . 1 3 3 5CM H5A3 H 1 1.6108 . . . . . . . A 3 5CM H5A3 . 30251 2
19 . 1 . 1 3 3 5CM H6 H 1 7.04725 . . . . . . . A 3 5CM H6 . 30251 2
20 . 1 . 1 4 4 DG H1' H 1 5.47063 . . . . . . . A 4 DG H1' . 30251 2
21 . 1 . 1 4 4 DG H2' H 1 2.6707 . . . . . . . A 4 DG H2' . 30251 2
22 . 1 . 1 4 4 DG H2'' H 1 2.74413 . . . . . . . A 4 DG H2'' . 30251 2
23 . 1 . 1 4 4 DG H3' H 1 4.98918 . . . . . . . A 4 DG H3' . 30251 2
24 . 1 . 1 4 4 DG H8 H 1 7.81804 . . . . . . . A 4 DG H8 . 30251 2
25 . 1 . 1 5 5 DA H1' H 1 6.01838 . . . . . . . A 5 DA H1' . 30251 2
26 . 1 . 1 5 5 DA H2 H 1 7.28239 . . . . . . . A 5 DA H2 . 30251 2
27 . 1 . 1 5 5 DA H2' H 1 2.68336 . . . . . . . A 5 DA H2' . 30251 2
28 . 1 . 1 5 5 DA H2'' H 1 2.94162 . . . . . . . A 5 DA H2'' . 30251 2
29 . 1 . 1 5 5 DA H3' H 1 5.05885 . . . . . . . A 5 DA H3' . 30251 2
30 . 1 . 1 5 5 DA H8 H 1 8.10991 . . . . . . . A 5 DA H8 . 30251 2
31 . 1 . 1 6 6 DA H1' H 1 6.16378 . . . . . . . A 6 DA H1' . 30251 2
32 . 1 . 1 6 6 DA H2 H 1 7.59233 . . . . . . . A 6 DA H2 . 30251 2
33 . 1 . 1 6 6 DA H2' H 1 2.55995 . . . . . . . A 6 DA H2' . 30251 2
34 . 1 . 1 6 6 DA H2'' H 1 2.93878 . . . . . . . A 6 DA H2'' . 30251 2
35 . 1 . 1 6 6 DA H3' H 1 5.00672 . . . . . . . A 6 DA H3' . 30251 2
36 . 1 . 1 6 6 DA H8 H 1 8.11357 . . . . . . . A 6 DA H8 . 30251 2
37 . 1 . 1 7 7 DT H1' H 1 5.91875 . . . . . . . A 7 DT H1' . 30251 2
38 . 1 . 1 7 7 DT H2' H 1 1.99466 . . . . . . . A 7 DT H2' . 30251 2
39 . 1 . 1 7 7 DT H2'' H 1 2.57157 . . . . . . . A 7 DT H2'' . 30251 2
40 . 1 . 1 7 7 DT H3' H 1 4.8344 . . . . . . . A 7 DT H3' . 30251 2
41 . 1 . 1 7 7 DT H6 H 1 7.10617 . . . . . . . A 7 DT H6 . 30251 2
42 . 1 . 1 7 7 DT H71 H 1 1.26317 . . . . . . . A 7 DT H71 . 30251 2
43 . 1 . 1 7 7 DT H72 H 1 1.26317 . . . . . . . A 7 DT H72 . 30251 2
44 . 1 . 1 7 7 DT H73 H 1 1.26317 . . . . . . . A 7 DT H73 . 30251 2
45 . 1 . 1 8 8 DT H1' H 1 6.13809 . . . . . . . A 8 DT H1' . 30251 2
46 . 1 . 1 8 8 DT H2' H 1 2.13825 . . . . . . . A 8 DT H2' . 30251 2
47 . 1 . 1 8 8 DT H2'' H 1 2.64966 . . . . . . . A 8 DT H2'' . 30251 2
48 . 1 . 1 8 8 DT H3' H 1 4.90551 . . . . . . . A 8 DT H3' . 30251 2
49 . 1 . 1 8 8 DT H6 H 1 7.42895 . . . . . . . A 8 DT H6 . 30251 2
50 . 1 . 1 8 8 DT H71 H 1 1.53426 . . . . . . . A 8 DT H71 . 30251 2
51 . 1 . 1 8 8 DT H72 H 1 1.53426 . . . . . . . A 8 DT H72 . 30251 2
52 . 1 . 1 8 8 DT H73 H 1 1.53426 . . . . . . . A 8 DT H73 . 30251 2
53 . 1 . 1 9 9 5CM H1' H 1 6.023 . . . . . . . A 9 5CM H1' . 30251 2
54 . 1 . 1 9 9 5CM H2' H 1 1.95598 . . . . . . . A 9 5CM H2' . 30251 2
55 . 1 . 1 9 9 5CM H2'' H 1 2.60858 . . . . . . . A 9 5CM H2'' . 30251 2
56 . 1 . 1 9 9 5CM H3' H 1 4.90116 . . . . . . . A 9 5CM H3' . 30251 2
57 . 1 . 1 9 9 5CM H5A1 H 1 1.72792 . . . . . . . A 9 5CM H5A1 . 30251 2
58 . 1 . 1 9 9 5CM H5A2 H 1 1.72792 . . . . . . . A 9 5CM H5A2 . 30251 2
59 . 1 . 1 9 9 5CM H5A3 H 1 1.72792 . . . . . . . A 9 5CM H5A3 . 30251 2
60 . 1 . 1 9 9 5CM H6 H 1 7.31642 . . . . . . . A 9 5CM H6 . 30251 2
61 . 1 . 1 10 10 8OG H1' H 1 5.47132 . . . . . . . A 10 8OG H1' . 30251 2
62 . 1 . 1 10 10 8OG H2' H 1 3.35021 . . . . . . . A 10 8OG H2' . 30251 2
63 . 1 . 1 10 10 8OG H2'' H 1 2.30395 . . . . . . . A 10 8OG H2'' . 30251 2
64 . 1 . 1 10 10 8OG H3' H 1 4.85858 . . . . . . . A 10 8OG H3' . 30251 2
65 . 1 . 1 11 11 DC H1' H 1 5.84541 . . . . . . . A 11 DC H1' . 30251 2
66 . 1 . 1 11 11 DC H2' H 1 1.94403 . . . . . . . A 11 DC H2' . 30251 2
67 . 1 . 1 11 11 DC H2'' H 1 2.37985 . . . . . . . A 11 DC H2'' . 30251 2
68 . 1 . 1 11 11 DC H3' H 1 4.81802 . . . . . . . A 11 DC H3' . 30251 2
69 . 1 . 1 11 11 DC H5 H 1 5.66213 . . . . . . . A 11 DC H5 . 30251 2
70 . 1 . 1 11 11 DC H6 H 1 7.46987 . . . . . . . A 11 DC H6 . 30251 2
71 . 1 . 1 12 12 DG H1' H 1 6.14363 . . . . . . . A 12 DG H1' . 30251 2
72 . 1 . 1 12 12 DG H2' H 1 2.60161 . . . . . . . A 12 DG H2' . 30251 2
73 . 1 . 1 12 12 DG H2'' H 1 2.36188 . . . . . . . A 12 DG H2'' . 30251 2
74 . 1 . 1 12 12 DG H3' H 1 4.66205 . . . . . . . A 12 DG H3' . 30251 2
75 . 1 . 1 12 12 DG H8 H 1 7.94635 . . . . . . . A 12 DG H8 . 30251 2
76 . 2 . 1 1 1 DC H1' H 1 5.78528 . . . . . . . B 13 DC H1' . 30251 2
77 . 2 . 1 1 1 DC H2' H 1 2.02658 . . . . . . . B 13 DC H2' . 30251 2
78 . 2 . 1 1 1 DC H2'' H 1 2.41938 . . . . . . . B 13 DC H2'' . 30251 2
79 . 2 . 1 1 1 DC H3' H 1 4.70607 . . . . . . . B 13 DC H3' . 30251 2
80 . 2 . 1 1 1 DC H5 H 1 5.9191 . . . . . . . B 13 DC H5 . 30251 2
81 . 2 . 1 1 1 DC H6 H 1 7.66465 . . . . . . . B 13 DC H6 . 30251 2
82 . 2 . 1 2 2 DG H1' H 1 6.00779 . . . . . . . B 14 DG H1' . 30251 2
83 . 2 . 1 2 2 DG H2' H 1 2.60862 . . . . . . . B 14 DG H2' . 30251 2
84 . 2 . 1 2 2 DG H2'' H 1 2.80798 . . . . . . . B 14 DG H2'' . 30251 2
85 . 2 . 1 2 2 DG H3' H 1 4.9665 . . . . . . . B 14 DG H3' . 30251 2
86 . 2 . 1 2 2 DG H8 H 1 7.94478 . . . . . . . B 14 DG H8 . 30251 2
87 . 2 . 1 3 3 5CM H1' H 1 5.53709 . . . . . . . B 15 5CM H1' . 30251 2
88 . 2 . 1 3 3 5CM H2' H 1 1.81975 . . . . . . . B 15 5CM H2' . 30251 2
89 . 2 . 1 3 3 5CM H2'' H 1 2.20509 . . . . . . . B 15 5CM H2'' . 30251 2
90 . 2 . 1 3 3 5CM H3' H 1 4.78897 . . . . . . . B 15 5CM H3' . 30251 2
91 . 2 . 1 3 3 5CM H5A1 H 1 1.6108 . . . . . . . B 15 5CM H5A1 . 30251 2
92 . 2 . 1 3 3 5CM H5A2 H 1 1.6108 . . . . . . . B 15 5CM H5A2 . 30251 2
93 . 2 . 1 3 3 5CM H5A3 H 1 1.6108 . . . . . . . B 15 5CM H5A3 . 30251 2
94 . 2 . 1 3 3 5CM H6 H 1 7.04725 . . . . . . . B 15 5CM H6 . 30251 2
95 . 2 . 1 4 4 DG H1' H 1 5.47063 . . . . . . . B 16 DG H1' . 30251 2
96 . 2 . 1 4 4 DG H2' H 1 2.6707 . . . . . . . B 16 DG H2' . 30251 2
97 . 2 . 1 4 4 DG H2'' H 1 2.74413 . . . . . . . B 16 DG H2'' . 30251 2
98 . 2 . 1 4 4 DG H3' H 1 4.98918 . . . . . . . B 16 DG H3' . 30251 2
99 . 2 . 1 4 4 DG H8 H 1 7.81804 . . . . . . . B 16 DG H8 . 30251 2
100 . 2 . 1 5 5 DA H1' H 1 6.01838 . . . . . . . B 17 DA H1' . 30251 2
101 . 2 . 1 5 5 DA H2 H 1 7.28239 . . . . . . . B 17 DA H2 . 30251 2
102 . 2 . 1 5 5 DA H2' H 1 2.68336 . . . . . . . B 17 DA H2' . 30251 2
103 . 2 . 1 5 5 DA H2'' H 1 2.94162 . . . . . . . B 17 DA H2'' . 30251 2
104 . 2 . 1 5 5 DA H3' H 1 5.05885 . . . . . . . B 17 DA H3' . 30251 2
105 . 2 . 1 5 5 DA H8 H 1 8.10991 . . . . . . . B 17 DA H8 . 30251 2
106 . 2 . 1 6 6 DA H1' H 1 6.16378 . . . . . . . B 18 DA H1' . 30251 2
107 . 2 . 1 6 6 DA H2 H 1 7.59233 . . . . . . . B 18 DA H2 . 30251 2
108 . 2 . 1 6 6 DA H2' H 1 2.55995 . . . . . . . B 18 DA H2' . 30251 2
109 . 2 . 1 6 6 DA H2'' H 1 2.93878 . . . . . . . B 18 DA H2'' . 30251 2
110 . 2 . 1 6 6 DA H3' H 1 5.00672 . . . . . . . B 18 DA H3' . 30251 2
111 . 2 . 1 6 6 DA H8 H 1 8.11357 . . . . . . . B 18 DA H8 . 30251 2
112 . 2 . 1 7 7 DT H1' H 1 5.91875 . . . . . . . B 19 DT H1' . 30251 2
113 . 2 . 1 7 7 DT H2' H 1 1.99466 . . . . . . . B 19 DT H2' . 30251 2
114 . 2 . 1 7 7 DT H2'' H 1 2.57157 . . . . . . . B 19 DT H2'' . 30251 2
115 . 2 . 1 7 7 DT H3' H 1 4.8344 . . . . . . . B 19 DT H3' . 30251 2
116 . 2 . 1 7 7 DT H6 H 1 7.10617 . . . . . . . B 19 DT H6 . 30251 2
117 . 2 . 1 7 7 DT H71 H 1 1.26317 . . . . . . . B 19 DT H71 . 30251 2
118 . 2 . 1 7 7 DT H72 H 1 1.26317 . . . . . . . B 19 DT H72 . 30251 2
119 . 2 . 1 7 7 DT H73 H 1 1.26317 . . . . . . . B 19 DT H73 . 30251 2
120 . 2 . 1 8 8 DT H1' H 1 6.13809 . . . . . . . B 20 DT H1' . 30251 2
121 . 2 . 1 8 8 DT H2' H 1 2.13825 . . . . . . . B 20 DT H2' . 30251 2
122 . 2 . 1 8 8 DT H2'' H 1 2.64966 . . . . . . . B 20 DT H2'' . 30251 2
123 . 2 . 1 8 8 DT H3' H 1 4.90551 . . . . . . . B 20 DT H3' . 30251 2
124 . 2 . 1 8 8 DT H6 H 1 7.42895 . . . . . . . B 20 DT H6 . 30251 2
125 . 2 . 1 8 8 DT H71 H 1 1.53426 . . . . . . . B 20 DT H71 . 30251 2
126 . 2 . 1 8 8 DT H72 H 1 1.53426 . . . . . . . B 20 DT H72 . 30251 2
127 . 2 . 1 8 8 DT H73 H 1 1.53426 . . . . . . . B 20 DT H73 . 30251 2
128 . 2 . 1 9 9 5CM H1' H 1 6.023 . . . . . . . B 21 5CM H1' . 30251 2
129 . 2 . 1 9 9 5CM H2' H 1 1.95598 . . . . . . . B 21 5CM H2' . 30251 2
130 . 2 . 1 9 9 5CM H2'' H 1 2.60858 . . . . . . . B 21 5CM H2'' . 30251 2
131 . 2 . 1 9 9 5CM H3' H 1 4.90116 . . . . . . . B 21 5CM H3' . 30251 2
132 . 2 . 1 9 9 5CM H5A1 H 1 1.72792 . . . . . . . B 21 5CM H5A1 . 30251 2
133 . 2 . 1 9 9 5CM H5A2 H 1 1.72792 . . . . . . . B 21 5CM H5A2 . 30251 2
134 . 2 . 1 9 9 5CM H5A3 H 1 1.72792 . . . . . . . B 21 5CM H5A3 . 30251 2
135 . 2 . 1 9 9 5CM H6 H 1 7.31642 . . . . . . . B 21 5CM H6 . 30251 2
136 . 2 . 1 10 10 8OG H1' H 1 5.47132 . . . . . . . B 22 8OG H1' . 30251 2
137 . 2 . 1 10 10 8OG H2' H 1 3.35021 . . . . . . . B 22 8OG H2' . 30251 2
138 . 2 . 1 10 10 8OG H2'' H 1 2.30395 . . . . . . . B 22 8OG H2'' . 30251 2
139 . 2 . 1 10 10 8OG H3' H 1 4.85858 . . . . . . . B 22 8OG H3' . 30251 2
140 . 2 . 1 11 11 DC H1' H 1 5.84541 . . . . . . . B 23 DC H1' . 30251 2
141 . 2 . 1 11 11 DC H2' H 1 1.94403 . . . . . . . B 23 DC H2' . 30251 2
142 . 2 . 1 11 11 DC H2'' H 1 2.37985 . . . . . . . B 23 DC H2'' . 30251 2
143 . 2 . 1 11 11 DC H3' H 1 4.81802 . . . . . . . B 23 DC H3' . 30251 2
144 . 2 . 1 11 11 DC H5 H 1 5.66213 . . . . . . . B 23 DC H5 . 30251 2
145 . 2 . 1 11 11 DC H6 H 1 7.46987 . . . . . . . B 23 DC H6 . 30251 2
146 . 2 . 1 12 12 DG H1' H 1 6.14363 . . . . . . . B 24 DG H1' . 30251 2
147 . 2 . 1 12 12 DG H2' H 1 2.60161 . . . . . . . B 24 DG H2' . 30251 2
148 . 2 . 1 12 12 DG H2'' H 1 2.36188 . . . . . . . B 24 DG H2'' . 30251 2
149 . 2 . 1 12 12 DG H3' H 1 4.66205 . . . . . . . B 24 DG H3' . 30251 2
150 . 2 . 1 12 12 DG H8 H 1 7.94635 . . . . . . . B 24 DG H8 . 30251 2
stop_
save_