###################################
# 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_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19888
_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 TOCSY' . . . 19888 1
2 '2D 1H-1H COSY' . . . 19888 1
3 '2D 1H-1H NOESY' . . . 19888 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 H1' H 1 5.795 . . . . . . A 1 DC H1' . 19888 1
2 . 1 1 1 1 DC H2' H 1 1.926 . . . . . . A 1 DC H2' . 19888 1
3 . 1 1 1 1 DC H3' H 1 4.745 . . . . . . A 1 DC H3' . 19888 1
4 . 1 1 1 1 DC H4' H 1 4.103 . . . . . . A 1 DC H4' . 19888 1
5 . 1 1 1 1 DC H5 H 1 5.951 . . . . . . A 1 DC H5 . 19888 1
6 . 1 1 1 1 DC H5' H 1 3.755 . . . . . . A 1 DC H5' . 19888 1
7 . 1 1 1 1 DC H6 H 1 7.660 . . . . . . A 1 DC H6 . 19888 1
8 . 1 1 2 2 DG H1 H 1 12.950 . . . . . . A 2 DG H1 . 19888 1
9 . 1 1 2 2 DG H1' H 1 5.624 . . . . . . A 2 DG H1' . 19888 1
10 . 1 1 2 2 DG H2' H 1 2.769 . . . . . . A 2 DG H2' . 19888 1
11 . 1 1 2 2 DG H3' H 1 5.063 . . . . . . A 2 DG H3' . 19888 1
12 . 1 1 2 2 DG H4' H 1 4.366 . . . . . . A 2 DG H4' . 19888 1
13 . 1 1 2 2 DG H5' H 1 4.012 . . . . . . A 2 DG H5' . 19888 1
14 . 1 1 2 2 DG H8 H 1 8.008 . . . . . . A 2 DG H8 . 19888 1
15 . 1 1 3 3 DA H1' H 1 6.093 . . . . . . A 3 DA H1' . 19888 1
16 . 1 1 3 3 DA H2 H 1 7.937 . . . . . . A 3 DA H2 . 19888 1
17 . 1 1 3 3 DA H2' H 1 2.684 . . . . . . A 3 DA H2' . 19888 1
18 . 1 1 3 3 DA H3' H 1 5.094 . . . . . . A 3 DA H3' . 19888 1
19 . 1 1 3 3 DA H4' H 1 4.465 . . . . . . A 3 DA H4' . 19888 1
20 . 1 1 3 3 DA H5' H 1 4.231 . . . . . . A 3 DA H5' . 19888 1
21 . 1 1 3 3 DA H8 H 1 8.312 . . . . . . A 3 DA H8 . 19888 1
22 . 1 1 4 4 DC H1' H 1 5.909 . . . . . . A 4 DC H1' . 19888 1
23 . 1 1 4 4 DC H2' H 1 1.893 . . . . . . A 4 DC H2' . 19888 1
24 . 1 1 4 4 DC H3' H 1 4.944 . . . . . . A 4 DC H3' . 19888 1
25 . 1 1 4 4 DC H4' H 1 4.187 . . . . . . A 4 DC H4' . 19888 1
26 . 1 1 4 4 DC H5 H 1 5.322 . . . . . . A 4 DC H5 . 19888 1
27 . 1 1 4 4 DC H5' H 1 4.190 . . . . . . A 4 DC H5' . 19888 1
28 . 1 1 4 4 DC H6 H 1 7.387 . . . . . . A 4 DC H6 . 19888 1
29 . 1 1 4 4 DC H41 H 1 7.725 . . . . . . A 4 DC H41 . 19888 1
30 . 1 1 4 4 DC H42 H 1 6.119 . . . . . . A 4 DC H42 . 19888 1
31 . 1 1 5 5 DG H1 H 1 13.200 . . . . . . A 5 DG H1 . 19888 1
32 . 1 1 5 5 DG H1' H 1 5.390 . . . . . . A 5 DG H1' . 19888 1
33 . 1 1 5 5 DG H2' H 1 2.458 . . . . . . A 5 DG H2' . 19888 1
34 . 1 1 5 5 DG H3' H 1 4.677 . . . . . . A 5 DG H3' . 19888 1
35 . 1 1 5 5 DG H4' H 1 2.247 . . . . . . A 5 DG H4' . 19888 1
36 . 1 1 5 5 DG H5' H 1 3.847 . . . . . . A 5 DG H5' . 19888 1
37 . 1 1 5 5 DG H8 H 1 7.920 . . . . . . A 5 DG H8 . 19888 1
38 . 1 1 5 5 DG H21 H 1 8.022 . . . . . . A 5 DG H21 . 19888 1
39 . 1 1 5 5 DG H22 H 1 8.497 . . . . . . A 5 DG H22 . 19888 1
40 . 1 1 6 6 DC H1' H 1 5.469 . . . . . . A 6 DC H1' . 19888 1
41 . 1 1 6 6 DC H2' H 1 1.555 . . . . . . A 6 DC H2' . 19888 1
42 . 1 1 6 6 DC H3' H 1 4.642 . . . . . . A 6 DC H3' . 19888 1
43 . 1 1 6 6 DC H4' H 1 2.214 . . . . . . A 6 DC H4' . 19888 1
44 . 1 1 6 6 DC H5 H 1 5.659 . . . . . . A 6 DC H5 . 19888 1
45 . 1 1 6 6 DC H5' H 1 3.810 . . . . . . A 6 DC H5' . 19888 1
46 . 1 1 6 6 DC H6 H 1 7.065 . . . . . . A 6 DC H6 . 19888 1
47 . 1 1 6 6 DC H41 H 1 8.465 . . . . . . A 6 DC H41 . 19888 1
48 . 1 1 6 6 DC H42 H 1 6.295 . . . . . . A 6 DC H42 . 19888 1
49 . 1 1 7 7 DG H1 H 1 13.360 . . . . . . A 7 DG H1 . 19888 1
50 . 1 1 7 7 DG H1' H 1 5.304 . . . . . . A 7 DG H1' . 19888 1
51 . 1 1 7 7 DG H2' H 1 2.180 . . . . . . A 7 DG H2' . 19888 1
52 . 1 1 7 7 DG H3' H 1 4.688 . . . . . . A 7 DG H3' . 19888 1
53 . 1 1 7 7 DG H4' H 1 3.845 . . . . . . A 7 DG H4' . 19888 1
54 . 1 1 7 7 DG H5' H 1 3.502 . . . . . . A 7 DG H5' . 19888 1
55 . 1 1 7 7 DG H8 H 1 7.847 . . . . . . A 7 DG H8 . 19888 1
56 . 1 1 7 7 DG H21 H 1 8.031 . . . . . . A 7 DG H21 . 19888 1
57 . 1 1 7 7 DG H22 H 1 8.499 . . . . . . A 7 DG H22 . 19888 1
58 . 1 1 8 8 DT H1' H 1 5.528 . . . . . . A 8 DT H1' . 19888 1
59 . 1 1 8 8 DT H2' H 1 1.721 . . . . . . A 8 DT H2' . 19888 1
60 . 1 1 8 8 DT H3 H 1 13.900 . . . . . . A 8 DT H3 . 19888 1
61 . 1 1 8 8 DT H3' H 1 4.579 . . . . . . A 8 DT H3' . 19888 1
62 . 1 1 8 8 DT H4' H 1 2.262 . . . . . . A 8 DT H4' . 19888 1
63 . 1 1 8 8 DT H5' H 1 3.886 . . . . . . A 8 DT H5' . 19888 1
64 . 1 1 8 8 DT H6 H 1 6.931 . . . . . . A 8 DT H6 . 19888 1
65 . 1 1 8 8 DT H71 H 1 1.678 . . . . . . A 8 DT H71 . 19888 1
66 . 1 1 8 8 DT H72 H 1 1.678 . . . . . . A 8 DT H72 . 19888 1
67 . 1 1 8 8 DT H73 H 1 1.678 . . . . . . A 8 DT H73 . 19888 1
68 . 1 1 9 9 DC H1' H 1 5.676 . . . . . . A 9 DC H1' . 19888 1
69 . 1 1 9 9 DC H2' H 1 2.165 . . . . . . A 9 DC H2' . 19888 1
70 . 1 1 9 9 DC H3' H 1 4.899 . . . . . . A 9 DC H3' . 19888 1
71 . 1 1 9 9 DC H4' H 1 4.174 . . . . . . A 9 DC H4' . 19888 1
72 . 1 1 9 9 DC H5 H 1 5.726 . . . . . . A 9 DC H5 . 19888 1
73 . 1 1 9 9 DC H5' H 1 4.021 . . . . . . A 9 DC H5' . 19888 1
74 . 1 1 9 9 DC H6 H 1 7.459 . . . . . . A 9 DC H6 . 19888 1
75 . 1 1 9 9 DC H41 H 1 8.808 . . . . . . A 9 DC H41 . 19888 1
76 . 1 1 9 9 DC H42 H 1 6.962 . . . . . . A 9 DC H42 . 19888 1
77 . 1 1 10 10 DG H1' H 1 6.223 . . . . . . A 10 DG H1' . 19888 1
78 . 1 1 10 10 DG H2' H 1 2.439 . . . . . . A 10 DG H2' . 19888 1
79 . 1 1 10 10 DG H3' H 1 5.064 . . . . . . A 10 DG H3' . 19888 1
80 . 1 1 10 10 DG H4' H 1 4.136 . . . . . . A 10 DG H4' . 19888 1
81 . 1 1 10 10 DG H5' H 1 4.136 . . . . . . A 10 DG H5' . 19888 1
82 . 1 1 10 10 DG H8 H 1 8.006 . . . . . . A 10 DG H8 . 19888 1
stop_
save_