###################################
# 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_proton_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode proton_shifts
_Assigned_chem_shift_list.Entry_ID 25746
_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
1 '2D 1H-1H NOESY' . . . 25746 1
2 '2D 1H-1H NOESY' . . . 25746 1
3 '1D 15N-filtered 1H NMR' . . . 25746 1
4 '1D 1H NMR' . . . 25746 1
5 '2D 1H-1H HMBC' . . . 25746 1
6 '2D 1H-1H NOESY' . . . 25746 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 DT H1' H 1 5.784 . . . . . . A 1 DT H1' . 25746 1
2 . 1 1 1 1 DT H2' H 1 1.938 . . . . . . A 1 DT H2' . 25746 1
3 . 1 1 1 1 DT H2'' H 1 2.291 . . . . . . A 1 DT H2'' . 25746 1
4 . 1 1 1 1 DT H3' H 1 4.522 . . . . . . A 1 DT H3' . 25746 1
5 . 1 1 1 1 DT H4' H 1 3.817 . . . . . . A 1 DT H4' . 25746 1
6 . 1 1 1 1 DT H5' H 1 3.480 . . . . . . A 1 DT H5' . 25746 1
7 . 1 1 1 1 DT H6 H 1 7.212 . . . . . . A 1 DT H6 . 25746 1
8 . 1 1 1 1 DT H71 H 1 1.573 . . . . . . A 1 DT H7 . 25746 1
9 . 1 1 1 1 DT H72 H 1 1.573 . . . . . . A 1 DT H7 . 25746 1
10 . 1 1 1 1 DT H73 H 1 1.573 . . . . . . A 1 DT H7 . 25746 1
11 . 1 1 2 2 DT H1' H 1 5.708 . . . . . . A 2 DT H1' . 25746 1
12 . 1 1 2 2 DT H2' H 1 1.758 . . . . . . A 2 DT H2' . 25746 1
13 . 1 1 2 2 DT H2'' H 1 2.274 . . . . . . A 2 DT H2'' . 25746 1
14 . 1 1 2 2 DT H3' H 1 4.560 . . . . . . A 2 DT H3' . 25746 1
15 . 1 1 2 2 DT H4' H 1 3.428 . . . . . . A 2 DT H4' . 25746 1
16 . 1 1 2 2 DT H5' H 1 3.152 . . . . . . A 2 DT H5' . 25746 1
17 . 1 1 2 2 DT H5'' H 1 3.660 . . . . . . A 2 DT H5'' . 25746 1
18 . 1 1 2 2 DT H6 H 1 7.230 . . . . . . A 2 DT H6 . 25746 1
19 . 1 1 2 2 DT H71 H 1 1.506 . . . . . . A 2 DT H7 . 25746 1
20 . 1 1 2 2 DT H72 H 1 1.506 . . . . . . A 2 DT H7 . 25746 1
21 . 1 1 2 2 DT H73 H 1 1.506 . . . . . . A 2 DT H7 . 25746 1
22 . 1 1 3 3 DG H1 H 1 11.988 . . . . . . A 3 DG H1 . 25746 1
23 . 1 1 3 3 DG H1' H 1 6.423 . . . . . . A 3 DG H1' . 25746 1
24 . 1 1 3 3 DG H2' H 1 2.938 . . . . . . A 3 DG H2' . 25746 1
25 . 1 1 3 3 DG H2'' H 1 3.119 . . . . . . A 3 DG H2'' . 25746 1
26 . 1 1 3 3 DG H3' H 1 5.013 . . . . . . A 3 DG H3' . 25746 1
27 . 1 1 3 3 DG H4' H 1 3.957 . . . . . . A 3 DG H4' . 25746 1
28 . 1 1 3 3 DG H5' H 1 3.578 . . . . . . A 3 DG H5' . 25746 1
29 . 1 1 3 3 DG H5'' H 1 3.650 . . . . . . A 3 DG H5'' . 25746 1
30 . 1 1 3 3 DG H8 H 1 8.128 . . . . . . A 3 DG H8 . 25746 1
31 . 1 1 4 4 DT H1' H 1 6.433 . . . . . . A 4 DT H1' . 25746 1
32 . 1 1 4 4 DT H2' H 1 2.388 . . . . . . A 4 DT H2' . 25746 1
33 . 1 1 4 4 DT H2'' H 1 2.607 . . . . . . A 4 DT H2'' . 25746 1
34 . 1 1 4 4 DT H3' H 1 4.952 . . . . . . A 4 DT H3' . 25746 1
35 . 1 1 4 4 DT H4' H 1 4.066 . . . . . . A 4 DT H4' . 25746 1
36 . 1 1 4 4 DT H6 H 1 7.700 . . . . . . A 4 DT H6 . 25746 1
37 . 1 1 4 4 DT H71 H 1 1.956 . . . . . . A 4 DT H7 . 25746 1
38 . 1 1 4 4 DT H72 H 1 1.956 . . . . . . A 4 DT H7 . 25746 1
39 . 1 1 4 4 DT H73 H 1 1.956 . . . . . . A 4 DT H7 . 25746 1
40 . 1 1 5 5 DG H1 H 1 12.000 . . . . . . A 5 DG H1 . 25746 1
41 . 1 1 5 5 DG H1' H 1 6.409 . . . . . . A 5 DG H1' . 25746 1
42 . 1 1 5 5 DG H2' H 1 2.318 . . . . . . A 5 DG H2' . 25746 1
43 . 1 1 5 5 DG H2'' H 1 2.872 . . . . . . A 5 DG H2'' . 25746 1
44 . 1 1 5 5 DG H3' H 1 5.095 . . . . . . A 5 DG H3' . 25746 1
45 . 1 1 5 5 DG H4' H 1 4.197 . . . . . . A 5 DG H4' . 25746 1
46 . 1 1 5 5 DG H8 H 1 7.553 . . . . . . A 5 DG H8 . 25746 1
47 . 1 1 7 7 DG H1 H 1 11.988 . . . . . . A 7 DG H1 . 25746 1
48 . 1 1 7 7 DG H1' H 1 6.183 . . . . . . A 7 DG H1' . 25746 1
49 . 1 1 7 7 DG H2' H 1 2.467 . . . . . . A 7 DG H2' . 25746 1
50 . 1 1 7 7 DG H2'' H 1 2.985 . . . . . . A 7 DG H2'' . 25746 1
51 . 1 1 7 7 DG H3' H 1 5.122 . . . . . . A 7 DG H3' . 25746 1
52 . 1 1 7 7 DG H8 H 1 8.139 . . . . . . A 7 DG H8 . 25746 1
53 . 1 1 8 8 DG H1 H 1 11.470 . . . . . . A 8 DG H1 . 25746 1
54 . 1 1 8 8 DG H1' H 1 6.225 . . . . . . A 8 DG H1' . 25746 1
55 . 1 1 8 8 DG H2' H 1 2.648 . . . . . . A 8 DG H2' . 25746 1
56 . 1 1 8 8 DG H2'' H 1 2.984 . . . . . . A 8 DG H2'' . 25746 1
57 . 1 1 8 8 DG H3' H 1 5.064 . . . . . . A 8 DG H3' . 25746 1
58 . 1 1 8 8 DG H4' H 1 4.305 . . . . . . A 8 DG H4' . 25746 1
59 . 1 1 8 8 DG H8 H 1 8.025 . . . . . . A 8 DG H8 . 25746 1
60 . 1 1 9 9 DG H1 H 1 11.003 . . . . . . A 9 DG H1 . 25746 1
61 . 1 1 9 9 DG H1' H 1 6.468 . . . . . . A 9 DG H1' . 25746 1
62 . 1 1 9 9 DG H2' H 1 2.453 . . . . . . A 9 DG H2' . 25746 1
63 . 1 1 9 9 DG H2'' H 1 2.710 . . . . . . A 9 DG H2'' . 25746 1
64 . 1 1 9 9 DG H3' H 1 5.169 . . . . . . A 9 DG H3' . 25746 1
65 . 1 1 9 9 DG H4' H 1 4.315 . . . . . . A 9 DG H4' . 25746 1
66 . 1 1 9 9 DG H8 H 1 7.815 . . . . . . A 9 DG H8 . 25746 1
67 . 1 1 11 11 DG H1 H 1 11.760 . . . . . . A 11 DG H1 . 25746 1
68 . 1 1 11 11 DG H1' H 1 6.134 . . . . . . A 11 DG H1' . 25746 1
69 . 1 1 11 11 DG H2' H 1 2.557 . . . . . . A 11 DG H2' . 25746 1
70 . 1 1 11 11 DG H2'' H 1 2.999 . . . . . . A 11 DG H2'' . 25746 1
71 . 1 1 11 11 DG H3' H 1 5.075 . . . . . . A 11 DG H3' . 25746 1
72 . 1 1 11 11 DG H4' H 1 4.280 . . . . . . A 11 DG H4' . 25746 1
73 . 1 1 11 11 DG H8 H 1 8.022 . . . . . . A 11 DG H8 . 25746 1
74 . 1 1 12 12 DG H1 H 1 11.440 . . . . . . A 12 DG H1 . 25746 1
75 . 1 1 12 12 DG H1' H 1 6.219 . . . . . . A 12 DG H1' . 25746 1
76 . 1 1 12 12 DG H2' H 1 2.650 . . . . . . A 12 DG H2' . 25746 1
77 . 1 1 12 12 DG H2'' H 1 2.920 . . . . . . A 12 DG H2'' . 25746 1
78 . 1 1 12 12 DG H3' H 1 5.130 . . . . . . A 12 DG H3' . 25746 1
79 . 1 1 12 12 DG H4' H 1 4.263 . . . . . . A 12 DG H4' . 25746 1
80 . 1 1 12 12 DG H8 H 1 7.924 . . . . . . A 12 DG H8 . 25746 1
81 . 1 1 13 13 DG H1 H 1 11.110 . . . . . . A 13 DG H1 . 25746 1
82 . 1 1 13 13 DG H1' H 1 6.489 . . . . . . A 13 DG H1' . 25746 1
83 . 1 1 13 13 DG H2' H 1 2.581 . . . . . . A 13 DG H2' . 25746 1
84 . 1 1 13 13 DG H2'' H 1 2.705 . . . . . . A 13 DG H2'' . 25746 1
85 . 1 1 13 13 DG H3' H 1 5.099 . . . . . . A 13 DG H3' . 25746 1
86 . 1 1 13 13 DG H4' H 1 4.310 . . . . . . A 13 DG H4' . 25746 1
87 . 1 1 13 13 DG H8 H 1 7.837 . . . . . . A 13 DG H8 . 25746 1
88 . 1 1 15 15 DG H1 H 1 11.440 . . . . . . A 15 DG H1 . 25746 1
89 . 1 1 15 15 DG H1' H 1 6.075 . . . . . . A 15 DG H1' . 25746 1
90 . 1 1 15 15 DG H2' H 1 2.397 . . . . . . A 15 DG H2' . 25746 1
91 . 1 1 15 15 DG H2'' H 1 2.807 . . . . . . A 15 DG H2'' . 25746 1
92 . 1 1 15 15 DG H3' H 1 5.141 . . . . . . A 15 DG H3' . 25746 1
93 . 1 1 15 15 DG H4' H 1 4.317 . . . . . . A 15 DG H4' . 25746 1
94 . 1 1 15 15 DG H8 H 1 7.939 . . . . . . A 15 DG H8 . 25746 1
95 . 1 1 16 16 DG H1 H 1 11.640 . . . . . . A 16 DG H1 . 25746 1
96 . 1 1 16 16 DG H1' H 1 6.034 . . . . . . A 16 DG H1' . 25746 1
97 . 1 1 16 16 DG H2' H 1 2.739 . . . . . . A 16 DG H2' . 25746 1
98 . 1 1 16 16 DG H3' H 1 5.094 . . . . . . A 16 DG H3' . 25746 1
99 . 1 1 16 16 DG H4' H 1 4.325 . . . . . . A 16 DG H4' . 25746 1
100 . 1 1 16 16 DG H8 H 1 8.020 . . . . . . A 16 DG H8 . 25746 1
101 . 1 1 17 17 DG H1' H 1 6.270 . . . . . . A 17 DG H1' . 25746 1
102 . 1 1 17 17 DG H2' H 1 2.431 . . . . . . A 17 DG H2' . 25746 1
103 . 1 1 17 17 DG H2'' H 1 2.589 . . . . . . A 17 DG H2'' . 25746 1
104 . 1 1 17 17 DG H3' H 1 4.893 . . . . . . A 17 DG H3' . 25746 1
105 . 1 1 17 17 DG H4' H 1 4.267 . . . . . . A 17 DG H4' . 25746 1
106 . 1 1 17 17 DG H8 H 1 7.803 . . . . . . A 17 DG H8 . 25746 1
107 . 1 1 18 18 DT H1' H 1 6.003 . . . . . . A 18 DT H1' . 25746 1
108 . 1 1 18 18 DT H2' H 1 2.106 . . . . . . A 18 DT H2' . 25746 1
109 . 1 1 18 18 DT H3' H 1 4.456 . . . . . . A 18 DT H3' . 25746 1
110 . 1 1 18 18 DT H4' H 1 4.050 . . . . . . A 18 DT H4' . 25746 1
111 . 1 1 18 18 DT H6 H 1 7.273 . . . . . . A 18 DT H6 . 25746 1
112 . 1 1 18 18 DT H71 H 1 1.607 . . . . . . A 18 DT H7 . 25746 1
113 . 1 1 18 18 DT H72 H 1 1.607 . . . . . . A 18 DT H7 . 25746 1
114 . 1 1 18 18 DT H73 H 1 1.607 . . . . . . A 18 DT H7 . 25746 1
stop_
save_