###################################
# 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 30853
_Assigned_chem_shift_list.ID 1
_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' . . . 30853 1
2 '2D 1H-1H TOCSY' . . . 30853 1
3 '2D 1H-15N HSQC' . . . 30853 1
4 '2D 1H-13C HSQC' . . . 30853 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 1 1 G H1' H 1 6.132 0.84 . 1 . . . . A 1 G H1' . 30853 1
2 . 1 . 1 1 1 G H8 H 1 6.364 1.15 . 1 . . . . A 1 G H8 . 30853 1
3 . 1 . 1 1 1 G H2' H 1 5.309 1.24 . 1 . . . . A 1 G H2' . 30853 1
4 . 1 . 1 2 2 G H1' H 1 5.688 0.00 . 1 . . . . A 2 G H1' . 30853 1
5 . 1 . 1 2 2 G H3' H 1 4.416 0.00 . 4 . . . . A 2 G H3' . 30853 1
6 . 1 . 1 2 2 G H8 H 1 7.256 0.00 . 1 . . . . A 2 G H8 . 30853 1
7 . 1 . 1 2 2 G H2' H 1 4.450 0.00 . 1 . . . . A 2 G H2' . 30853 1
8 . 1 . 1 3 3 C H1' H 1 5.476 0.00 . 1 . . . . A 3 C H1' . 30853 1
9 . 1 . 1 3 3 C H3' H 1 4.389 0.00 . 4 . . . . A 3 C H3' . 30853 1
10 . 1 . 1 3 3 C H5 H 1 5.132 0.00 . 1 . . . . A 3 C H5 . 30853 1
11 . 1 . 1 3 3 C H6 H 1 7.578 0.00 . 1 . . . . A 3 C H6 . 30853 1
12 . 1 . 1 3 3 C H2' H 1 4.240 0.00 . 1 . . . . A 3 C H2' . 30853 1
13 . 1 . 1 4 4 C H1' H 1 5.486 0.00 . 1 . . . . A 4 C H1' . 30853 1
14 . 1 . 1 4 4 C H5 H 1 5.466 0.00 . 1 . . . . A 4 C H5 . 30853 1
15 . 1 . 1 4 4 C H6 H 1 7.632 0.00 . 1 . . . . A 4 C H6 . 30853 1
16 . 1 . 1 4 4 C H2' H 1 4.592 0.00 . 1 . . . . A 4 C H2' . 30853 1
17 . 1 . 1 5 5 G H1' H 1 5.613 0.00 . 1 . . . . A 5 G H1' . 30853 1
18 . 1 . 1 5 5 G H3' H 1 4.449 0.00 . 4 . . . . A 5 G H3' . 30853 1
19 . 1 . 1 5 5 G H8 H 1 7.441 0.00 . 1 . . . . A 5 G H8 . 30853 1
20 . 1 . 1 5 5 G H2' H 1 4.641 0.00 . 1 . . . . A 5 G H2' . 30853 1
21 . 1 . 1 6 6 A H1' H 1 5.793 0.00 . 1 . . . . A 6 A H1' . 30853 1
22 . 1 . 1 6 6 A H3' H 1 4.422 0.00 . 4 . . . . A 6 A H3' . 30853 1
23 . 1 . 1 6 6 A H8 H 1 7.499 0.00 . 1 . . . . A 6 A H8 . 30853 1
24 . 1 . 1 6 6 A H2' H 1 4.628 0.00 . 1 . . . . A 6 A H2' . 30853 1
25 . 1 . 1 7 7 C H1' H 1 5.312 0.00 . 1 . . . . A 7 C H1' . 30853 1
26 . 1 . 1 7 7 C H5 H 1 5.264 0.00 . 1 . . . . A 7 C H5 . 30853 1
27 . 1 . 1 7 7 C H6 H 1 7.392 0.00 . 1 . . . . A 7 C H6 . 30853 1
28 . 1 . 1 7 7 C H2' H 1 4.883 0.00 . 1 . . . . A 7 C H2' . 30853 1
29 . 1 . 1 8 8 A H1' H 1 5.769 0.00 . 1 . . . . A 8 A H1' . 30853 1
30 . 1 . 1 8 8 A H3' H 1 4.768 0.00 . 4 . . . . A 8 A H3' . 30853 1
31 . 1 . 1 8 8 A H8 H 1 7.752 0.00 . 1 . . . . A 8 A H8 . 30853 1
32 . 1 . 1 8 8 A H2' H 1 4.885 0.00 . 1 . . . . A 8 A H2' . 30853 1
33 . 1 . 1 9 9 A H1' H 1 5.761 0.00 . 1 . . . . A 9 A H1' . 30853 1
34 . 1 . 1 9 9 A H8 H 1 8.072 0.01 . 1 . . . . A 9 A H8 . 30853 1
35 . 1 . 1 9 9 A H2' H 1 4.885 0.00 . 1 . . . . A 9 A H2' . 30853 1
36 . 1 . 1 10 10 G H1' H 1 5.763 0.00 . 1 . . . . A 10 G H1' . 30853 1
37 . 1 . 1 10 10 G H3' H 1 4.426 0.00 . 4 . . . . A 10 G H3' . 30853 1
38 . 1 . 1 10 10 G H8 H 1 7.770 0.21 . 1 . . . . A 10 G H8 . 30853 1
39 . 1 . 1 10 10 G H2' H 1 4.885 0.00 . 1 . . . . A 10 G H2' . 30853 1
40 . 1 . 1 11 11 A H1' H 1 5.761 0.00 . 1 . . . . A 11 A H1' . 30853 1
41 . 1 . 1 11 11 A H3' H 1 4.698 0.00 . 4 . . . . A 11 A H3' . 30853 1
42 . 1 . 1 11 11 A H4' H 1 4.189 0.00 . 4 . . . . A 11 A H4' . 30853 1
43 . 1 . 1 11 11 A H8 H 1 8.007 0.17 . 1 . . . . A 11 A H8 . 30853 1
44 . 1 . 1 11 11 A H2' H 1 4.795 0.00 . 1 . . . . A 11 A H2' . 30853 1
45 . 1 . 1 12 12 A H1' H 1 5.729 0.00 . 1 . . . . A 12 A H1' . 30853 1
46 . 1 . 1 12 12 A H3' H 1 4.413 0.00 . 4 . . . . A 12 A H3' . 30853 1
47 . 1 . 1 12 12 A H8 H 1 7.329 0.00 . 1 . . . . A 12 A H8 . 30853 1
48 . 1 . 1 12 12 A H2' H 1 4.351 0.06 . 1 . . . . A 12 A H2' . 30853 1
49 . 1 . 1 13 13 C H1' H 1 5.973 0.00 . 1 . . . . A 13 C H1' . 30853 1
50 . 1 . 1 13 13 C H3' H 1 4.400 0.00 . 4 . . . . A 13 C H3' . 30853 1
51 . 1 . 1 13 13 C H4' H 1 4.190 0.00 . 4 . . . . A 13 C H4' . 30853 1
52 . 1 . 1 13 13 C H5 H 1 5.619 0.30 . 1 . . . . A 13 C H5 . 30853 1
53 . 1 . 1 13 13 C H5' H 1 3.944 0.00 . 4 . . . . A 13 C H5' . 30853 1
54 . 1 . 1 13 13 C H6 H 1 7.767 0.24 . 1 . . . . A 13 C H6 . 30853 1
55 . 1 . 1 13 13 C H2' H 1 4.489 0.00 . 1 . . . . A 13 C H2' . 30853 1
56 . 1 . 1 14 14 A H1' H 1 5.666 0.00 . 1 . . . . A 14 A H1' . 30853 1
57 . 1 . 1 14 14 A H3' H 1 4.627 0.00 . 4 . . . . A 14 A H3' . 30853 1
58 . 1 . 1 14 14 A H8 H 1 8.256 0.00 . 1 . . . . A 14 A H8 . 30853 1
59 . 1 . 1 14 14 A H2' H 1 4.489 0.00 . 1 . . . . A 14 A H2' . 30853 1
60 . 1 . 1 15 15 G H1' H 1 5.758 0.00 . 1 . . . . A 15 G H1' . 30853 1
61 . 1 . 1 15 15 G H3' H 1 4.436 0.00 . 4 . . . . A 15 G H3' . 30853 1
62 . 1 . 1 15 15 G H4' H 1 4.491 0.00 . 4 . . . . A 15 G H4' . 30853 1
63 . 1 . 1 15 15 G H8 H 1 7.716 0.00 . 1 . . . . A 15 G H8 . 30853 1
64 . 1 . 1 15 15 G H2' H 1 4.495 0.00 . 1 . . . . A 15 G H2' . 30853 1
65 . 1 . 1 16 16 U H1' H 1 5.164 0.00 . 1 . . . . A 16 U H1' . 30853 1
66 . 1 . 1 16 16 U H3' H 1 4.311 0.00 . 4 . . . . A 16 U H3' . 30853 1
67 . 1 . 1 16 16 U H4' H 1 4.108 0.00 . 4 . . . . A 16 U H4' . 30853 1
68 . 1 . 1 16 16 U H5 H 1 5.638 0.00 . 1 . . . . A 16 U H5 . 30853 1
69 . 1 . 1 16 16 U H6 H 1 7.911 0.00 . 1 . . . . A 16 U H6 . 30853 1
70 . 1 . 1 16 16 U H2' H 1 4.175 0.00 . 1 . . . . A 16 U H2' . 30853 1
71 . 1 . 1 17 17 U H1' H 1 5.467 0.00 . 1 . . . . A 17 U H1' . 30853 1
72 . 1 . 1 17 17 U H5 H 1 5.466 0.00 . 1 . . . . A 17 U H5 . 30853 1
73 . 1 . 1 17 17 U H6 H 1 7.684 0.00 . 1 . . . . A 17 U H6 . 30853 1
74 . 1 . 1 17 17 U H2' H 1 4.411 0.00 . 1 . . . . A 17 U H2' . 30853 1
75 . 1 . 1 18 18 U H1' H 1 5.313 0.00 . 1 . . . . A 18 U H1' . 30853 1
76 . 1 . 1 18 18 U H3' H 1 4.424 0.00 . 4 . . . . A 18 U H3' . 30853 1
77 . 1 . 1 18 18 U H5 H 1 5.365 0.00 . 1 . . . . A 18 U H5 . 30853 1
78 . 1 . 1 18 18 U H6 H 1 7.468 0.00 . 1 . . . . A 18 U H6 . 30853 1
79 . 1 . 1 18 18 U H2' H 1 4.535 0.00 . 1 . . . . A 18 U H2' . 30853 1
80 . 1 . 1 19 19 C H1' H 1 5.425 0.00 . 1 . . . . A 19 C H1' . 30853 1
81 . 1 . 1 19 19 C H3' H 1 4.435 0.00 . 4 . . . . A 19 C H3' . 30853 1
82 . 1 . 1 19 19 C H5 H 1 5.752 0.00 . 1 . . . . A 19 C H5 . 30853 1
83 . 1 . 1 19 19 C H6 H 1 7.917 0.00 . 1 . . . . A 19 C H6 . 30853 1
84 . 1 . 1 19 19 C H2' H 1 4.293 0.00 . 1 . . . . A 19 C H2' . 30853 1
85 . 1 . 1 20 20 G H1' H 1 5.768 0.00 . 1 . . . . A 20 G H1' . 30853 1
86 . 1 . 1 20 20 G H8 H 1 7.751 0.00 . 1 . . . . A 20 G H8 . 30853 1
87 . 1 . 1 20 20 G H2' H 1 4.836 0.00 . 1 . . . . A 20 G H2' . 30853 1
88 . 1 . 1 21 21 A H1' H 1 5.598 0.00 . 1 . . . . A 21 A H1' . 30853 1
89 . 1 . 1 21 21 A H8 H 1 7.894 0.01 . 1 . . . . A 21 A H8 . 30853 1
90 . 1 . 1 21 21 A H2' H 1 4.590 0.00 . 1 . . . . A 21 A H2' . 30853 1
91 . 1 . 1 22 22 A H1' H 1 5.688 0.00 . 1 . . . . A 22 A H1' . 30853 1
92 . 1 . 1 22 22 A H8 H 1 7.256 0.00 . 1 . . . . A 22 A H8 . 30853 1
93 . 1 . 1 22 22 A H2' H 1 4.414 0.00 . 1 . . . . A 22 A H2' . 30853 1
94 . 1 . 1 23 23 U H1' H 1 5.873 0.00 . 1 . . . . A 23 U H1' . 30853 1
95 . 1 . 1 23 23 U H3' H 1 4.514 0.00 . 4 . . . . A 23 U H3' . 30853 1
96 . 1 . 1 23 23 U H5 H 1 5.791 0.00 . 1 . . . . A 23 U H5 . 30853 1
97 . 1 . 1 23 23 U H6 H 1 7.840 0.00 . 1 . . . . A 23 U H6 . 30853 1
98 . 1 . 1 23 23 U H2' H 1 4.541 0.00 . 1 . . . . A 23 U H2' . 30853 1
99 . 1 . 1 24 24 C H1' H 1 5.510 0.00 . 1 . . . . A 24 C H1' . 30853 1
100 . 1 . 1 24 24 C H3' H 1 4.396 0.00 . 4 . . . . A 24 C H3' . 30853 1
101 . 1 . 1 24 24 C H5 H 1 5.212 0.00 . 1 . . . . A 24 C H5 . 30853 1
102 . 1 . 1 24 24 C H6 H 1 7.630 0.00 . 1 . . . . A 24 C H6 . 30853 1
103 . 1 . 1 24 24 C H2' H 1 4.362 0.00 . 1 . . . . A 24 C H2' . 30853 1
104 . 1 . 1 25 25 G H1' H 1 5.896 0.00 . 1 . . . . A 25 G H1' . 30853 1
105 . 1 . 1 25 25 G H8 H 1 7.650 0.00 . 1 . . . . A 25 G H8 . 30853 1
106 . 1 . 1 25 25 G H2' H 1 4.428 0.00 . 1 . . . . A 25 G H2' . 30853 1
107 . 1 . 1 26 26 G H1' H 1 5.500 0.00 . 1 . . . . A 26 G H1' . 30853 1
108 . 1 . 1 26 26 G H21 H 1 7.627 0.00 . 2 . . . . A 26 G H6 . 30853 1
109 . 1 . 1 26 26 G H22 H 1 7.627 0.00 . 2 . . . . A 26 G H6 . 30853 1
110 . 1 . 1 26 26 G H8 H 1 7.537 0.00 . 1 . . . . A 26 G H8 . 30853 1
111 . 1 . 1 26 26 G H2' H 1 4.360 0.00 . 1 . . . . A 26 G H2' . 30853 1
112 . 1 . 1 27 27 C H1' H 1 5.733 0.00 . 1 . . . . A 27 C H1' . 30853 1
113 . 1 . 1 27 27 C H5 H 1 5.497 0.00 . 1 . . . . A 27 C H5 . 30853 1
114 . 1 . 1 27 27 C H6 H 1 7.631 0.00 . 1 . . . . A 27 C H6 . 30853 1
115 . 1 . 1 27 27 C H2' H 1 3.965 0.00 . 1 . . . . A 27 C H2' . 30853 1
116 . 1 . 1 28 28 C H1' H 1 5.733 0.00 . 1 . . . . A 28 C H1' . 30853 1
117 . 1 . 1 28 28 C H5 H 1 5.497 0.00 . 1 . . . . A 28 C H5 . 30853 1
118 . 1 . 1 28 28 C H6 H 1 7.630 0.00 . 1 . . . . A 28 C H6 . 30853 1
119 . 1 . 1 28 28 C H2' H 1 3.966 0.00 . 1 . . . . A 28 C H2' . 30853 1
stop_
save_