###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5979
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 5979 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 DC H5' H 1 3.60 0.2 . 1 . . . . . . . . 5979 1
2 . 1 1 1 1 DC H5'' H 1 3.75 0.2 . 1 . . . . . . . . 5979 1
3 . 1 1 1 1 DC H4' H 1 3.91 0.2 . 1 . . . . . . . . 5979 1
4 . 1 1 1 1 DC H1' H 1 5.77 0.2 . 1 . . . . . . . . 5979 1
5 . 1 1 1 1 DC H6 H 1 7.61 0.2 . 1 . . . . . . . . 5979 1
6 . 1 1 1 1 DC H5 H 1 5.96 0.2 . 1 . . . . . . . . 5979 1
7 . 1 1 1 1 DC H3' H 1 4.41 0.2 . 1 . . . . . . . . 5979 1
8 . 1 1 1 1 DC H2' H 1 2.24 0.2 . 1 . . . . . . . . 5979 1
9 . 1 1 1 1 DC H2'' H 1 2.04 0.2 . 1 . . . . . . . . 5979 1
10 . 1 1 2 2 DC H5' H 1 3.57 0.2 . 1 . . . . . . . . 5979 1
11 . 1 1 2 2 DC H5'' H 1 3.76 0.2 . 1 . . . . . . . . 5979 1
12 . 1 1 2 2 DC H4' H 1 3.98 0.2 . 1 . . . . . . . . 5979 1
13 . 1 1 2 2 DC H1' H 1 5.69 0.2 . 1 . . . . . . . . 5979 1
14 . 1 1 2 2 DC H6 H 1 7.62 0.2 . 1 . . . . . . . . 5979 1
15 . 1 1 2 2 DC H5 H 1 5.81 0.2 . 1 . . . . . . . . 5979 1
16 . 1 1 2 2 DC H3' H 1 4.40 0.2 . 1 . . . . . . . . 5979 1
17 . 1 1 2 2 DC H2' H 1 2.26 0.2 . 1 . . . . . . . . 5979 1
18 . 1 1 2 2 DC H2'' H 1 2.09 0.2 . 1 . . . . . . . . 5979 1
19 . 1 1 3 3 DA H5' H 1 3.47 0.2 . 1 . . . . . . . . 5979 1
20 . 1 1 3 3 DA H5'' H 1 3.74 0.2 . 1 . . . . . . . . 5979 1
21 . 1 1 3 3 DA H4' H 1 3.93 0.2 . 1 . . . . . . . . 5979 1
22 . 1 1 3 3 DA H1' H 1 5.83 0.2 . 1 . . . . . . . . 5979 1
23 . 1 1 3 3 DA H8 H 1 8.41 0.2 . 1 . . . . . . . . 5979 1
24 . 1 1 3 3 DA H2 H 1 8.10 0.2 . 1 . . . . . . . . 5979 1
25 . 1 1 3 3 DA H3' H 1 4.54 0.2 . 1 . . . . . . . . 5979 1
26 . 1 1 3 3 DA H2' H 1 2.53 0.2 . 1 . . . . . . . . 5979 1
27 . 1 1 3 3 DA H2'' H 1 2.56 0.2 . 1 . . . . . . . . 5979 1
28 . 1 1 4 4 DT H5' H 1 3.72 0.2 . 1 . . . . . . . . 5979 1
29 . 1 1 4 4 DT H5'' H 1 3.87 0.2 . 1 . . . . . . . . 5979 1
30 . 1 1 4 4 DT H4' H 1 4.02 0.2 . 1 . . . . . . . . 5979 1
31 . 1 1 4 4 DT H1' H 1 5.07 0.2 . 1 . . . . . . . . 5979 1
32 . 1 1 4 4 DT H6 H 1 7.16 0.2 . 1 . . . . . . . . 5979 1
33 . 1 1 4 4 DT H71 H 1 1.70 0.2 . 1 . . . . . . . . 5979 1
34 . 1 1 4 4 DT H72 H 1 1.70 0.2 . 1 . . . . . . . . 5979 1
35 . 1 1 4 4 DT H73 H 1 1.70 0.2 . 1 . . . . . . . . 5979 1
36 . 1 1 4 4 DT H3' H 1 4.42 0.2 . 1 . . . . . . . . 5979 1
37 . 1 1 4 4 DT H2' H 1 2.07 0.2 . 1 . . . . . . . . 5979 1
38 . 1 1 4 4 DT H2'' H 1 1.89 0.2 . 1 . . . . . . . . 5979 1
39 . 1 1 5 5 DA H5' H 1 3.61 0.2 . 1 . . . . . . . . 5979 1
40 . 1 1 5 5 DA H5'' H 1 3.80 0.2 . 1 . . . . . . . . 5979 1
41 . 1 1 5 5 DA H4' H 1 4.02 0.2 . 1 . . . . . . . . 5979 1
42 . 1 1 5 5 DA H1' H 1 5.47 0.2 . 1 . . . . . . . . 5979 1
43 . 1 1 5 5 DA H8 H 1 8.38 0.2 . 1 . . . . . . . . 5979 1
44 . 1 1 5 5 DA H2 H 1 8.13 0.2 . 1 . . . . . . . . 5979 1
45 . 1 1 5 5 DA H3' H 1 4.57 0.2 . 1 . . . . . . . . 5979 1
46 . 1 1 5 5 DA H2' H 1 2.37 0.2 . 1 . . . . . . . . 5979 1
47 . 1 1 5 5 DA H2'' H 1 2.46 0.2 . 1 . . . . . . . . 5979 1
48 . 1 1 6 6 DA H5' H 1 3.74 0.2 . 1 . . . . . . . . 5979 1
49 . 1 1 6 6 DA H5'' H 1 3.94 0.2 . 1 . . . . . . . . 5979 1
50 . 1 1 6 6 DA H4' H 1 4.19 0.2 . 1 . . . . . . . . 5979 1
51 . 1 1 6 6 DA H1' H 1 6.30 0.2 . 1 . . . . . . . . 5979 1
52 . 1 1 6 6 DA H8 H 1 8.54 0.2 . 1 . . . . . . . . 5979 1
53 . 1 1 6 6 DA H2 H 1 8.38 0.2 . 1 . . . . . . . . 5979 1
54 . 1 1 6 6 DA H3' H 1 4.67 0.2 . 1 . . . . . . . . 5979 1
55 . 1 1 6 6 DA H2' H 1 2.64 0.2 . 1 . . . . . . . . 5979 1
56 . 1 1 6 6 DA H2'' H 1 2.58 0.2 . 1 . . . . . . . . 5979 1
57 . 1 1 7 7 DT H5' H 1 3.96 0.2 . 1 . . . . . . . . 5979 1
58 . 1 1 7 7 DT H5'' H 1 3.99 0.2 . 1 . . . . . . . . 5979 1
59 . 1 1 7 7 DT H4' H 1 4.33 0.2 . 1 . . . . . . . . 5979 1
60 . 1 1 7 7 DT H1' H 1 5.94 0.2 . 1 . . . . . . . . 5979 1
61 . 1 1 7 7 DT H6 H 1 7.09 0.2 . 1 . . . . . . . . 5979 1
62 . 1 1 7 7 DT H71 H 1 1.56 0.2 . 1 . . . . . . . . 5979 1
63 . 1 1 7 7 DT H72 H 1 1.56 0.2 . 1 . . . . . . . . 5979 1
64 . 1 1 7 7 DT H73 H 1 1.56 0.2 . 1 . . . . . . . . 5979 1
65 . 1 1 7 7 DT H3' H 1 4.54 0.2 . 1 . . . . . . . . 5979 1
66 . 1 1 7 7 DT H2' H 1 2.35 0.2 . 1 . . . . . . . . 5979 1
67 . 1 1 7 7 DT H2'' H 1 2.03 0.2 . 1 . . . . . . . . 5979 1
68 . 1 1 8 8 DT H5' H 1 3.74 0.2 . 1 . . . . . . . . 5979 1
69 . 1 1 8 8 DT H5'' H 1 3.86 0.2 . 1 . . . . . . . . 5979 1
70 . 1 1 8 8 DT H4' H 1 4.11 0.2 . 1 . . . . . . . . 5979 1
71 . 1 1 8 8 DT H1' H 1 5.76 0.2 . 1 . . . . . . . . 5979 1
72 . 1 1 8 8 DT H6 H 1 7.23 0.2 . 1 . . . . . . . . 5979 1
73 . 1 1 8 8 DT H71 H 1 1.80 0.2 . 1 . . . . . . . . 5979 1
74 . 1 1 8 8 DT H72 H 1 1.80 0.2 . 1 . . . . . . . . 5979 1
75 . 1 1 8 8 DT H73 H 1 1.80 0.2 . 1 . . . . . . . . 5979 1
76 . 1 1 8 8 DT H3' H 1 4.41 0.2 . 1 . . . . . . . . 5979 1
77 . 1 1 8 8 DT H2' H 1 2.02 0.2 . 1 . . . . . . . . 5979 1
78 . 1 1 8 8 DT H2'' H 1 1.98 0.2 . 1 . . . . . . . . 5979 1
79 . 1 1 9 9 DT H5' H 1 3.51 0.2 . 1 . . . . . . . . 5979 1
80 . 1 1 9 9 DT H5'' H 1 3.66 0.2 . 1 . . . . . . . . 5979 1
81 . 1 1 9 9 DT H4' H 1 3.73 0.2 . 1 . . . . . . . . 5979 1
82 . 1 1 9 9 DT H1' H 1 4.73 0.2 . 1 . . . . . . . . 5979 1
83 . 1 1 9 9 DT H6 H 1 6.99 0.2 . 1 . . . . . . . . 5979 1
84 . 1 1 9 9 DT H71 H 1 1.74 0.2 . 1 . . . . . . . . 5979 1
85 . 1 1 9 9 DT H72 H 1 1.74 0.2 . 1 . . . . . . . . 5979 1
86 . 1 1 9 9 DT H73 H 1 1.74 0.2 . 1 . . . . . . . . 5979 1
87 . 1 1 9 9 DT H3' H 1 4.06 0.2 . 1 . . . . . . . . 5979 1
88 . 1 1 9 9 DT H2' H 1 1.23 0.2 . 1 . . . . . . . . 5979 1
89 . 1 1 9 9 DT H2'' H 1 0.78 0.2 . 1 . . . . . . . . 5979 1
90 . 1 1 10 10 DA H5' H 1 3.47 0.2 . 1 . . . . . . . . 5979 1
91 . 1 1 10 10 DA H5'' H 1 3.77 0.2 . 1 . . . . . . . . 5979 1
92 . 1 1 10 10 DA H4' H 1 4.06 0.2 . 1 . . . . . . . . 5979 1
93 . 1 1 10 10 DA H1' H 1 5.66 0.2 . 1 . . . . . . . . 5979 1
94 . 1 1 10 10 DA H8 H 1 8.31 0.2 . 1 . . . . . . . . 5979 1
95 . 1 1 10 10 DA H2 H 1 8.29 0.2 . 1 . . . . . . . . 5979 1
96 . 1 1 10 10 DA H3' H 1 4.47 0.2 . 1 . . . . . . . . 5979 1
97 . 1 1 10 10 DA H2' H 1 2.08 0.2 . 1 . . . . . . . . 5979 1
98 . 1 1 10 10 DA H2'' H 1 2.34 0.2 . 1 . . . . . . . . 5979 1
99 . 1 1 11 11 DC H5' H 1 3.66 0.2 . 1 . . . . . . . . 5979 1
100 . 1 1 11 11 DC H5'' H 1 3.80 0.2 . 1 . . . . . . . . 5979 1
101 . 1 1 11 11 DC H4' H 1 4.03 0.2 . 1 . . . . . . . . 5979 1
102 . 1 1 11 11 DC H1' H 1 5.80 0.2 . 1 . . . . . . . . 5979 1
103 . 1 1 11 11 DC H6 H 1 7.25 0.2 . 1 . . . . . . . . 5979 1
104 . 1 1 11 11 DC H5 H 1 5.44 0.2 . 1 . . . . . . . . 5979 1
105 . 1 1 11 11 DC H3' H 1 4.31 0.2 . 1 . . . . . . . . 5979 1
106 . 1 1 11 11 DC H2' H 1 1.99 0.2 . 1 . . . . . . . . 5979 1
107 . 1 1 11 11 DC H2'' H 1 1.51 0.2 . 1 . . . . . . . . 5979 1
108 . 1 1 12 12 DC H5' H 1 3.71 0.2 . 1 . . . . . . . . 5979 1
109 . 1 1 12 12 DC H5'' H 1 3.82 0.2 . 1 . . . . . . . . 5979 1
110 . 1 1 12 12 DC H4' H 1 4.05 0.2 . 1 . . . . . . . . 5979 1
111 . 1 1 12 12 DC H1' H 1 5.88 0.2 . 1 . . . . . . . . 5979 1
112 . 1 1 12 12 DC H6 H 1 7.73 0.2 . 1 . . . . . . . . 5979 1
113 . 1 1 12 12 DC H5 H 1 6.15 0.2 . 1 . . . . . . . . 5979 1
114 . 1 1 12 12 DC H3' H 1 4.62 0.2 . 1 . . . . . . . . 5979 1
115 . 1 1 12 12 DC H2' H 1 2.24 0.2 . 1 . . . . . . . . 5979 1
116 . 1 1 12 12 DC H2'' H 1 2.36 0.2 . 1 . . . . . . . . 5979 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_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 5979
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 5979 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 DC H5' H 1 3.60 0.2 . 1 . . . . . . . . 5979 2
2 . 2 2 1 1 DC H5'' H 1 3.75 0.2 . 1 . . . . . . . . 5979 2
3 . 2 2 1 1 DC H4' H 1 3.91 0.2 . 1 . . . . . . . . 5979 2
4 . 2 2 1 1 DC H1' H 1 5.77 0.2 . 1 . . . . . . . . 5979 2
5 . 2 2 1 1 DC H6 H 1 7.61 0.2 . 1 . . . . . . . . 5979 2
6 . 2 2 1 1 DC H5 H 1 5.96 0.2 . 1 . . . . . . . . 5979 2
7 . 2 2 1 1 DC H3' H 1 4.41 0.2 . 1 . . . . . . . . 5979 2
8 . 2 2 1 1 DC H2' H 1 2.24 0.2 . 1 . . . . . . . . 5979 2
9 . 2 2 1 1 DC H2'' H 1 2.04 0.2 . 1 . . . . . . . . 5979 2
10 . 2 2 2 2 DC H5' H 1 3.57 0.2 . 1 . . . . . . . . 5979 2
11 . 2 2 2 2 DC H5'' H 1 3.76 0.2 . 1 . . . . . . . . 5979 2
12 . 2 2 2 2 DC H4' H 1 3.98 0.2 . 1 . . . . . . . . 5979 2
13 . 2 2 2 2 DC H1' H 1 5.69 0.2 . 1 . . . . . . . . 5979 2
14 . 2 2 2 2 DC H6 H 1 7.62 0.2 . 1 . . . . . . . . 5979 2
15 . 2 2 2 2 DC H5 H 1 5.81 0.2 . 1 . . . . . . . . 5979 2
16 . 2 2 2 2 DC H3' H 1 4.40 0.2 . 1 . . . . . . . . 5979 2
17 . 2 2 2 2 DC H2' H 1 2.26 0.2 . 1 . . . . . . . . 5979 2
18 . 2 2 2 2 DC H2'' H 1 2.09 0.2 . 1 . . . . . . . . 5979 2
19 . 2 2 3 3 DT H5' H 1 3.60 0.2 . 1 . . . . . . . . 5979 2
20 . 2 2 3 3 DT H5'' H 1 3.76 0.2 . 1 . . . . . . . . 5979 2
21 . 2 2 3 3 DT H4' H 1 3.96 0.2 . 1 . . . . . . . . 5979 2
22 . 2 2 3 3 DT H1' H 1 5.56 0.2 . 1 . . . . . . . . 5979 2
23 . 2 2 3 3 DT H6 H 1 7.33 0.2 . 1 . . . . . . . . 5979 2
24 . 2 2 3 3 DT H71 H 1 1.82 0.2 . 1 . . . . . . . . 5979 2
25 . 2 2 3 3 DT H72 H 1 1.82 0.2 . 1 . . . . . . . . 5979 2
26 . 2 2 3 3 DT H73 H 1 1.82 0.2 . 1 . . . . . . . . 5979 2
27 . 2 2 3 3 DT H3' H 1 4.42 0.2 . 1 . . . . . . . . 5979 2
28 . 2 2 3 3 DT H2' H 1 2.32 0.2 . 1 . . . . . . . . 5979 2
29 . 2 2 3 3 DT H2'' H 1 2.09 0.2 . 1 . . . . . . . . 5979 2
30 . 2 2 4 4 DA H5' H 1 3.62 0.2 . 1 . . . . . . . . 5979 2
31 . 2 2 4 4 DA H5'' H 1 3.85 0.2 . 1 . . . . . . . . 5979 2
32 . 2 2 4 4 DA H4' H 1 4.16 0.2 . 1 . . . . . . . . 5979 2
33 . 2 2 4 4 DA H1' H 1 6.19 0.2 . 1 . . . . . . . . 5979 2
34 . 2 2 4 4 DA H8 H 1 8.35 0.2 . 1 . . . . . . . . 5979 2
35 . 2 2 4 4 DA H2 H 1 8.32 0.2 . 1 . . . . . . . . 5979 2
36 . 2 2 4 4 DA H3' H 1 4.61 0.2 . 1 . . . . . . . . 5979 2
37 . 2 2 4 4 DA H2' H 1 2.66 0.2 . 1 . . . . . . . . 5979 2
38 . 2 2 4 4 DA H2'' H 1 2.57 0.2 . 1 . . . . . . . . 5979 2
39 . 2 2 5 5 DT H5' H 1 3.84 0.2 . 1 . . . . . . . . 5979 2
40 . 2 2 5 5 DT H5'' H 1 3.90 0.2 . 1 . . . . . . . . 5979 2
41 . 2 2 5 5 DT H4' H 1 4.12 0.2 . 1 . . . . . . . . 5979 2
42 . 2 2 5 5 DT H1' H 1 5.32 0.2 . 1 . . . . . . . . 5979 2
43 . 2 2 5 5 DT H6 H 1 6.86 0.2 . 1 . . . . . . . . 5979 2
44 . 2 2 5 5 DT H71 H 1 1.85 0.2 . 1 . . . . . . . . 5979 2
45 . 2 2 5 5 DT H72 H 1 1.85 0.2 . 1 . . . . . . . . 5979 2
46 . 2 2 5 5 DT H73 H 1 1.85 0.2 . 1 . . . . . . . . 5979 2
47 . 2 2 5 5 DT H3' H 1 4.42 0.2 . 1 . . . . . . . . 5979 2
48 . 2 2 5 5 DT H2' H 1 1.97 0.2 . 1 . . . . . . . . 5979 2
49 . 2 2 5 5 DT H2'' H 1 1.85 0.2 . 1 . . . . . . . . 5979 2
50 . 2 2 6 6 DG H5' H 1 3.54 0.2 . 1 . . . . . . . . 5979 2
51 . 2 2 6 6 DG H5'' H 1 3.85 0.2 . 1 . . . . . . . . 5979 2
52 . 2 2 6 6 DG H4' H 1 4.03 0.2 . 1 . . . . . . . . 5979 2
53 . 2 2 6 6 DG H1' H 1 5.50 0.2 . 1 . . . . . . . . 5979 2
54 . 2 2 6 6 DG H8 H 1 7.71 0.2 . 1 . . . . . . . . 5979 2
55 . 2 2 6 6 DG H3' H 1 4.56 0.2 . 1 . . . . . . . . 5979 2
56 . 2 2 6 6 DG H2' H 1 2.43 0.2 . 1 . . . . . . . . 5979 2
57 . 2 2 6 6 DG H2'' H 1 2.34 0.2 . 1 . . . . . . . . 5979 2
58 . 2 2 7 7 DA H5' H 1 3.68 0.2 . 1 . . . . . . . . 5979 2
59 . 2 2 7 7 DA H5'' H 1 3.87 0.2 . 1 . . . . . . . . 5979 2
60 . 2 2 7 7 DA H4' H 1 4.05 0.2 . 1 . . . . . . . . 5979 2
61 . 2 2 7 7 DA H1' H 1 5.59 0.2 . 1 . . . . . . . . 5979 2
62 . 2 2 7 7 DA H8 H 1 8.07 0.2 . 1 . . . . . . . . 5979 2
63 . 2 2 7 7 DA H2 H 1 7.36 0.2 . 1 . . . . . . . . 5979 2
64 . 2 2 7 7 DA H3' H 1 4.53 0.2 . 1 . . . . . . . . 5979 2
65 . 2 2 7 7 DA H2' H 1 2.23 0.2 . 1 . . . . . . . . 5979 2
66 . 2 2 7 7 DA H2'' H 1 2.25 0.2 . 1 . . . . . . . . 5979 2
67 . 2 2 8 8 DA H5' H 1 3.65 0.2 . 1 . . . . . . . . 5979 2
68 . 2 2 8 8 DA H5'' H 1 3.86 0.2 . 1 . . . . . . . . 5979 2
69 . 2 2 8 8 DA H4' H 1 4.08 0.2 . 1 . . . . . . . . 5979 2
70 . 2 2 8 8 DA H1' H 1 5.51 0.2 . 1 . . . . . . . . 5979 2
71 . 2 2 8 8 DA H8 H 1 8.53 0.2 . 1 . . . . . . . . 5979 2
72 . 2 2 8 8 DA H2 H 1 7.72 0.2 . 1 . . . . . . . . 5979 2
73 . 2 2 8 8 DA H3' H 1 4.60 0.2 . 1 . . . . . . . . 5979 2
74 . 2 2 8 8 DA H2' H 1 2.47 0.2 . 1 . . . . . . . . 5979 2
75 . 2 2 8 8 DA H2'' H 1 2.59 0.2 . 1 . . . . . . . . 5979 2
76 . 2 2 9 9 DA H5' H 1 3.75 0.2 . 1 . . . . . . . . 5979 2
77 . 2 2 9 9 DA H5'' H 1 3.90 0.2 . 1 . . . . . . . . 5979 2
78 . 2 2 9 9 DA H4' H 1 4.16 0.2 . 1 . . . . . . . . 5979 2
79 . 2 2 9 9 DA H1' H 1 6.10 0.2 . 1 . . . . . . . . 5979 2
80 . 2 2 9 9 DA H8 H 1 8.35 0.2 . 1 . . . . . . . . 5979 2
81 . 2 2 9 9 DA H2 H 1 8.26 0.2 . 1 . . . . . . . . 5979 2
82 . 2 2 9 9 DA H3' H 1 4.58 0.2 . 1 . . . . . . . . 5979 2
83 . 2 2 9 9 DA H2' H 1 2.41 0.2 . 1 . . . . . . . . 5979 2
84 . 2 2 9 9 DA H2'' H 1 2.49 0.2 . 1 . . . . . . . . 5979 2
85 . 2 2 10 10 DT H5' H 1 3.84 0.2 . 1 . . . . . . . . 5979 2
86 . 2 2 10 10 DT H5'' H 1 3.83 0.2 . 1 . . . . . . . . 5979 2
87 . 2 2 10 10 DT H4' H 1 4.07 0.2 . 1 . . . . . . . . 5979 2
88 . 2 2 10 10 DT H1' H 1 5.38 0.2 . 1 . . . . . . . . 5979 2
89 . 2 2 10 10 DT H6 H 1 6.84 0.2 . 1 . . . . . . . . 5979 2
90 . 2 2 10 10 DT H71 H 1 1.45 0.2 . 1 . . . . . . . . 5979 2
91 . 2 2 10 10 DT H72 H 1 1.45 0.2 . 1 . . . . . . . . 5979 2
92 . 2 2 10 10 DT H73 H 1 1.45 0.2 . 1 . . . . . . . . 5979 2
93 . 2 2 10 10 DT H3' H 1 4.36 0.2 . 1 . . . . . . . . 5979 2
94 . 2 2 10 10 DT H2' H 1 1.97 0.2 . 1 . . . . . . . . 5979 2
95 . 2 2 10 10 DT H2'' H 1 1.83 0.2 . 1 . . . . . . . . 5979 2
96 . 2 2 11 11 DC H5' H 1 3.66 0.2 . 1 . . . . . . . . 5979 2
97 . 2 2 11 11 DC H5'' H 1 3.80 0.2 . 1 . . . . . . . . 5979 2
98 . 2 2 11 11 DC H4' H 1 4.03 0.2 . 1 . . . . . . . . 5979 2
99 . 2 2 11 11 DC H1' H 1 5.80 0.2 . 1 . . . . . . . . 5979 2
100 . 2 2 11 11 DC H6 H 1 7.25 0.2 . 1 . . . . . . . . 5979 2
101 . 2 2 11 11 DC H5 H 1 5.44 0.2 . 1 . . . . . . . . 5979 2
102 . 2 2 11 11 DC H3' H 1 4.31 0.2 . 1 . . . . . . . . 5979 2
103 . 2 2 11 11 DC H2' H 1 1.99 0.2 . 1 . . . . . . . . 5979 2
104 . 2 2 11 11 DC H2'' H 1 1.51 0.2 . 1 . . . . . . . . 5979 2
105 . 2 2 12 12 DC H5' H 1 3.71 0.2 . 1 . . . . . . . . 5979 2
106 . 2 2 12 12 DC H5'' H 1 3.82 0.2 . 1 . . . . . . . . 5979 2
107 . 2 2 12 12 DC H4' H 1 4.05 0.2 . 1 . . . . . . . . 5979 2
108 . 2 2 12 12 DC H1' H 1 5.88 0.2 . 1 . . . . . . . . 5979 2
109 . 2 2 12 12 DC H6 H 1 7.73 0.2 . 1 . . . . . . . . 5979 2
110 . 2 2 12 12 DC H5 H 1 6.15 0.2 . 1 . . . . . . . . 5979 2
111 . 2 2 12 12 DC H3' H 1 4.62 0.2 . 1 . . . . . . . . 5979 2
112 . 2 2 12 12 DC H2' H 1 2.24 0.2 . 1 . . . . . . . . 5979 2
113 . 2 2 12 12 DC H2'' H 1 2.36 0.2 . 1 . . . . . . . . 5979 2
stop_
save_