###################################
# 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 17787
_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 0.003
_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' . . . 17787 1
2 '2D 1H-1H COSY' . . . 17787 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 DG H1' H 1 6.030 .003 . . . . . . 1 DG5 H1' . 17787 1
2 . 1 1 1 1 DG H2' H 1 2.684 .003 . . . . . . 1 DG5 H2' . 17787 1
3 . 1 1 1 1 DG H2'' H 1 2.829 .003 . 2 . . . . 1 DG5 H2'' . 17787 1
4 . 1 1 1 1 DG H3' H 1 4.838 .003 . . . . . . 1 DG5 H3' . 17787 1
5 . 1 1 1 1 DG H4' H 1 4.254 .003 . . . . . . 1 DG5 H4' . 17787 1
6 . 1 1 1 1 DG H8 H 1 7.983 .003 . 1 . . . . 1 DG5 H8 . 17787 1
7 . 1 1 2 2 DT H1' H 1 5.981 .003 . . . . . . 2 DT H1' . 17787 1
8 . 1 1 2 2 DT H2' H 1 2.202 .003 . . . . . . 2 DT H2' . 17787 1
9 . 1 1 2 2 DT H2'' H 1 2.570 .003 . 2 . . . . 2 DT H2'' . 17787 1
10 . 1 1 2 2 DT H3' H 1 4.941 .003 . . . . . . 2 DT H3' . 17787 1
11 . 1 1 2 2 DT H4' H 1 4.278 .003 . . . . . . 2 DT H4' . 17787 1
12 . 1 1 2 2 DT H6 H 1 7.394 .003 . 1 . . . . 2 DT H6 . 17787 1
13 . 1 1 2 2 DT H71 H 1 1.391 .003 . 1 . . . . 2 DT H7 . 17787 1
14 . 1 1 2 2 DT H72 H 1 1.391 .003 . 1 . . . . 2 DT H7 . 17787 1
15 . 1 1 2 2 DT H73 H 1 1.391 .003 . 1 . . . . 2 DT H7 . 17787 1
16 . 1 1 3 3 DG H1' H 1 5.903 .003 . . . . . . 3 DG H1' . 17787 1
17 . 1 1 3 3 DG H2' H 1 2.589 .003 . . . . . . 3 DG H2' . 17787 1
18 . 1 1 3 3 DG H2'' H 1 2.750 .003 . 2 . . . . 3 DG H2'' . 17787 1
19 . 1 1 3 3 DG H3' H 1 5.002 .003 . . . . . . 3 DG H3' . 17787 1
20 . 1 1 3 3 DG H4' H 1 4.378 .003 . . . . . . 3 DG H4' . 17787 1
21 . 1 1 3 3 DG H8 H 1 7.875 .003 . 1 . . . . 3 DG H8 . 17787 1
22 . 1 1 4 4 DC H1' H 1 5.930 .003 . . . . . . 4 DC H1' . 17787 1
23 . 1 1 4 4 DC H2' H 1 2.218 .003 . . . . . . 4 DC H2' . 17787 1
24 . 1 1 4 4 DC H2'' H 1 3.133 .003 . 2 . . . . 4 DC H2'' . 17787 1
25 . 1 1 4 4 DC H3' H 1 4.984 .003 . . . . . . 4 DC H3' . 17787 1
26 . 1 1 4 4 DC H4' H 1 4.357 .003 . . . . . . 4 DC H4' . 17787 1
27 . 1 1 4 4 DC H5 H 1 5.436 .003 . 1 . . . . 4 DC H5 . 17787 1
28 . 1 1 4 4 DC H6 H 1 7.501 .003 . 1 . . . . 4 DC H6 . 17787 1
29 . 1 1 5 5 DG H1' H 1 6.115 .003 . . . . . . 5 CDG H1' . 17787 1
30 . 1 1 5 5 DG H2' H 1 2.240 .003 . . . . . . 5 CDG H2' . 17787 1
31 . 1 1 5 5 DG H2'' H 1 2.306 .003 . . . . . . 5 CDG H2'' . 17787 1
32 . 1 1 5 5 DG H3' H 1 5.019 .003 . . . . . . 5 CDG H3' . 17787 1
33 . 1 1 5 5 DG H4' H 1 5.136 .003 . . . . . . 5 CDG H4' . 17787 1
34 . 1 1 5 5 DG H5' H 1 5.503 .003 . . . . . . 5 CDG H5' . 17787 1
35 . 1 1 6 6 DT H1' H 1 5.881 .003 . . . . . . 6 DT H1' . 17787 1
36 . 1 1 6 6 DT H2' H 1 2.254 .003 . . . . . . 6 DT H2' . 17787 1
37 . 1 1 6 6 DT H2'' H 1 2.505 .003 . 2 . . . . 6 DT H2'' . 17787 1
38 . 1 1 6 6 DT H3' H 1 4.864 .003 . . . . . . 6 DT H3' . 17787 1
39 . 1 1 6 6 DT H4' H 1 4.296 .003 . . . . . . 6 DT H4' . 17787 1
40 . 1 1 6 6 DT H6 H 1 7.559 .003 . 1 . . . . 6 DT H6 . 17787 1
41 . 1 1 6 6 DT H71 H 1 1.659 .003 . 1 . . . . 6 DT H7 . 17787 1
42 . 1 1 6 6 DT H72 H 1 1.659 .003 . 1 . . . . 6 DT H7 . 17787 1
43 . 1 1 6 6 DT H73 H 1 1.659 .003 . 1 . . . . 6 DT H7 . 17787 1
44 . 1 1 7 7 DG H1' H 1 6.057 .003 . . . . . . 7 DG H1' . 17787 1
45 . 1 1 7 7 DG H2' H 1 2.675 .003 . . . . . . 7 DG H2' . 17787 1
46 . 1 1 7 7 DG H2'' H 1 2.863 .003 . 2 . . . . 7 DG H2'' . 17787 1
47 . 1 1 7 7 DG H3' H 1 4.975 .003 . . . . . . 7 DG H3' . 17787 1
48 . 1 1 7 7 DG H4' H 1 4.423 .003 . . . . . . 7 DG H4' . 17787 1
49 . 1 1 7 7 DG H8 H 1 7.947 .003 . 1 . . . . 7 DG H8 . 17787 1
50 . 1 1 8 8 DT H1' H 1 6.083 .003 . . . . . . 8 DT H1' . 17787 1
51 . 1 1 8 8 DT H2' H 1 2.195 .003 . . . . . . 8 DT H2' . 17787 1
52 . 1 1 8 8 DT H2'' H 1 2.616 .003 . 2 . . . . 8 DT H2'' . 17787 1
53 . 1 1 8 8 DT H3' H 1 4.900 .003 . . . . . . 8 DT H3' . 17787 1
54 . 1 1 8 8 DT H4' H 1 4.284 .003 . . . . . . 8 DT H4' . 17787 1
55 . 1 1 8 8 DT H6 H 1 7.324 .003 . 1 . . . . 8 DT H6 . 17787 1
56 . 1 1 8 8 DT H71 H 1 1.361 .003 . 1 . . . . 8 DT H7 . 17787 1
57 . 1 1 8 8 DT H72 H 1 1.361 .003 . 1 . . . . 8 DT H7 . 17787 1
58 . 1 1 8 8 DT H73 H 1 1.361 .003 . 1 . . . . 8 DT H7 . 17787 1
59 . 1 1 9 9 DT H1' H 1 6.134 .003 . . . . . . 9 DT H1' . 17787 1
60 . 1 1 9 9 DT H2' H 1 2.181 .003 . . . . . . 9 DT H2' . 17787 1
61 . 1 1 9 9 DT H2'' H 1 2.617 .003 . 2 . . . . 9 DT H2'' . 17787 1
62 . 1 1 9 9 DT H3' H 1 4.903 .003 . . . . . . 9 DT H3' . 17787 1
63 . 1 1 9 9 DT H4' H 1 4.188 .003 . . . . . . 9 DT H4' . 17787 1
64 . 1 1 9 9 DT H6 H 1 7.494 .003 . 1 . . . . 9 DT H6 . 17787 1
65 . 1 1 9 9 DT H71 H 1 1.635 .003 . 1 . . . . 9 DT H7 . 17787 1
66 . 1 1 9 9 DT H72 H 1 1.635 .003 . 1 . . . . 9 DT H7 . 17787 1
67 . 1 1 9 9 DT H73 H 1 1.635 .003 . 1 . . . . 9 DT H7 . 17787 1
68 . 1 1 10 10 DT H1' H 1 5.842 .003 . . . . . . 10 DT H1' . 17787 1
69 . 1 1 10 10 DT H2' H 1 2.020 .003 . . . . . . 10 DT H2' . 17787 1
70 . 1 1 10 10 DT H2'' H 1 2.403 .003 . 2 . . . . 10 DT H2'' . 17787 1
71 . 1 1 10 10 DT H3' H 1 4.910 .003 . . . . . . 10 DT H3' . 17787 1
72 . 1 1 10 10 DT H4' H 1 4.138 .003 . . . . . . 10 DT H4' . 17787 1
73 . 1 1 10 10 DT H6 H 1 7.339 .003 . 1 . . . . 10 DT H6 . 17787 1
74 . 1 1 10 10 DT H71 H 1 1.733 .003 . 1 . . . . 10 DT H7 . 17787 1
75 . 1 1 10 10 DT H72 H 1 1.733 .003 . 1 . . . . 10 DT H7 . 17787 1
76 . 1 1 10 10 DT H73 H 1 1.733 .003 . 1 . . . . 10 DT H7 . 17787 1
77 . 1 1 11 11 DG H1' H 1 6.075 .003 . . . . . . 11 DG H1' . 17787 1
78 . 1 1 11 11 DG H2' H 1 2.733 .003 . . . . . . 11 DG H2' . 17787 1
79 . 1 1 11 11 DG H3' H 1 5.016 .003 . . . . . . 11 DG H3' . 17787 1
80 . 1 1 11 11 DG H4' H 1 4.425 .003 . . . . . . 11 DG H4' . 17787 1
81 . 1 1 11 11 DG H8 H 1 8.001 .003 . 1 . . . . 11 DG H8 . 17787 1
82 . 1 1 12 12 DT H1' H 1 6.264 .003 . . . . . . 12 DT3 H1' . 17787 1
83 . 1 1 12 12 DT H2' H 1 2.264 .003 . . . . . . 12 DT3 H2' . 17787 1
84 . 1 1 12 12 DT H3' H 1 4.564 .003 . . . . . . 12 DT3 H3' . 17787 1
85 . 1 1 12 12 DT H4' H 1 4.104 .003 . . . . . . 12 DT3 H4' . 17787 1
86 . 1 1 12 12 DT H6 H 1 7.431 .003 . 1 . . . . 12 DT3 H6 . 17787 1
87 . 1 1 12 12 DT H71 H 1 1.625 .003 . 1 . . . . 12 DT3 H7 . 17787 1
88 . 1 1 12 12 DT H72 H 1 1.625 .003 . 1 . . . . 12 DT3 H7 . 17787 1
89 . 1 1 12 12 DT H73 H 1 1.625 .003 . 1 . . . . 12 DT3 H7 . 17787 1
90 . 2 2 1 1 DA H1' H 1 6.199 .003 . . . . . B 13 DA H1' . 17787 1
91 . 2 2 1 1 DA H2' H 1 2.625 .003 . . . . . B 13 DA H2' . 17787 1
92 . 2 2 1 1 DA H2'' H 1 2.787 .003 . 2 . . . B 13 DA H2'' . 17787 1
93 . 2 2 1 1 DA H3' H 1 4.851 .003 . . . . . B 13 DA H3' . 17787 1
94 . 2 2 1 1 DA H4' H 1 4.255 .003 . . . . . B 13 DA H4' . 17787 1
95 . 2 2 1 1 DA H8 H 1 8.218 .003 . 1 . . . B 13 DA H8 . 17787 1
96 . 2 2 2 2 DC H1' H 1 5.146 .003 . . . . . B 14 DC H1' . 17787 1
97 . 2 2 2 2 DC H2' H 1 2.036 .003 . . . . . B 14 DC H2' . 17787 1
98 . 2 2 2 2 DC H2'' H 1 2.255 .003 . 2 . . . B 14 DC H2'' . 17787 1
99 . 2 2 2 2 DC H3' H 1 4.806 .003 . . . . . B 14 DC H3' . 17787 1
100 . 2 2 2 2 DC H4' H 1 4.104 .003 . . . . . B 14 DC H4' . 17787 1
101 . 2 2 2 2 DC H5 H 1 5.477 .003 . 1 . . . B 14 DC H5 . 17787 1
102 . 2 2 2 2 DC H6 H 1 7.423 .003 . 1 . . . B 14 DC H6 . 17787 1
103 . 2 2 3 3 DA H1' H 1 5.789 .003 . . . . . B 15 DA H1' . 17787 1
104 . 2 2 3 3 DA H2' H 1 2.767 .003 . . . . . B 15 DA H2' . 17787 1
105 . 2 2 3 3 DA H2'' H 1 2.870 .003 . 2 . . . B 15 DA H2'' . 17787 1
106 . 2 2 3 3 DA H3' H 1 5.065 .003 . . . . . B 15 DA H3' . 17787 1
107 . 2 2 3 3 DA H4' H 1 4.388 .003 . . . . . B 15 DA H4' . 17787 1
108 . 2 2 3 3 DA H8 H 1 8.237 .003 . 1 . . . B 15 DA H8 . 17787 1
109 . 2 2 4 4 DA H1' H 1 5.891 .003 . . . . . B 16 DA H1' . 17787 1
110 . 2 2 4 4 DA H2' H 1 2.669 .003 . . . . . B 16 DA H2' . 17787 1
111 . 2 2 4 4 DA H2'' H 1 2.864 .003 . 2 . . . B 16 DA H2'' . 17787 1
112 . 2 2 4 4 DA H3' H 1 5.071 .003 . . . . . B 16 DA H3' . 17787 1
113 . 2 2 4 4 DA H4' H 1 4.460 .003 . . . . . B 16 DA H4' . 17787 1
114 . 2 2 4 4 DA H8 H 1 8.146 .003 . 1 . . . B 16 DA H8 . 17787 1
115 . 2 2 5 5 DA H1' H 1 6.025 .003 . . . . . B 17 DA H1' . 17787 1
116 . 2 2 5 5 DA H2' H 1 2.507 .003 . . . . . B 17 DA H2' . 17787 1
117 . 2 2 5 5 DA H2'' H 1 2.788 .003 . 2 . . . B 17 DA H2'' . 17787 1
118 . 2 2 5 5 DA H3' H 1 4.982 .003 . . . . . B 17 DA H3' . 17787 1
119 . 2 2 5 5 DA H4' H 1 4.428 .003 . . . . . B 17 DA H4' . 17787 1
120 . 2 2 5 5 DA H8 H 1 8.041 .003 . 1 . . . B 17 DA H8 . 17787 1
121 . 2 2 6 6 DC H1' H 1 5.470 .003 . . . . . B 18 DC H1' . 17787 1
122 . 2 2 6 6 DC H2' H 1 1.644 .003 . . . . . B 18 DC H2' . 17787 1
123 . 2 2 6 6 DC H2'' H 1 2.172 .003 . 2 . . . B 18 DC H2'' . 17787 1
124 . 2 2 6 6 DC H3' H 1 4.711 .003 . . . . . B 18 DC H3' . 17787 1
125 . 2 2 6 6 DC H4' H 1 4.072 .003 . . . . . B 18 DC H4' . 17787 1
126 . 2 2 6 6 DC H5 H 1 5.136 .003 . 1 . . . B 18 DC H5 . 17787 1
127 . 2 2 6 6 DC H6 H 1 7.060 .003 . 1 . . . B 18 DC H6 . 17787 1
128 . 2 2 7 7 DA H1' H 1 5.905 .003 . . . . . B 19 DA H1' . 17787 1
129 . 2 2 7 7 DA H2' H 1 2.364 .003 . . . . . B 19 DA H2' . 17787 1
130 . 2 2 7 7 DA H2'' H 1 2.604 .003 . 2 . . . B 19 DA H2'' . 17787 1
131 . 2 2 7 7 DA H3' H 1 4.916 .003 . . . . . B 19 DA H3' . 17787 1
132 . 2 2 7 7 DA H4' H 1 4.268 .003 . . . . . B 19 DA H4' . 17787 1
133 . 2 2 7 7 DA H8 H 1 7.814 .003 . 1 . . . B 19 DA H8 . 17787 1
134 . 2 2 8 8 DA H1' H 1 5.826 .003 . . . . . B 20 DA H1' . 17787 1
135 . 2 2 8 8 DA H2' H 1 2.312 .003 . . . . . B 20 DA H2' . 17787 1
136 . 2 2 8 8 DA H2'' H 1 2.417 .003 . 2 . . . B 20 DA H2'' . 17787 1
137 . 2 2 8 8 DA H3' H 1 4.919 .003 . . . . . B 20 DA H3' . 17787 1
138 . 2 2 8 8 DA H4' H 1 4.236 .003 . . . . . B 20 DA H4' . 17787 1
139 . 2 2 8 8 DA H8 H 1 7.751 .003 . 1 . . . B 20 DA H8 . 17787 1
140 . 2 2 9 9 DG H1' H 1 5.831 .003 . . . . . B 21 DG H1' . 17787 1
141 . 2 2 9 9 DG H2' H 1 2.606 .003 . . . . . B 21 DG H2' . 17787 1
142 . 2 2 9 9 DG H2'' H 1 2.721 .003 . 2 . . . B 21 DG H2'' . 17787 1
143 . 2 2 9 9 DG H3' H 1 4.921 .003 . . . . . B 21 DG H3' . 17787 1
144 . 2 2 9 9 DG H4' H 1 4.373 .003 . . . . . B 21 DG H4' . 17787 1
145 . 2 2 9 9 DG H8 H 1 7.825 .003 . 1 . . . B 21 DG H8 . 17787 1
146 . 2 2 10 10 DC H1' H 1 5.623 .003 . . . . . B 22 DC H1' . 17787 1
147 . 2 2 10 10 DC H2' H 1 2.083 .003 . . . . . B 22 DC H2' . 17787 1
148 . 2 2 10 10 DC H2'' H 1 2.406 .003 . 2 . . . B 22 DC H2'' . 17787 1
149 . 2 2 10 10 DC H3' H 1 4.814 .003 . . . . . B 22 DC H3' . 17787 1
150 . 2 2 10 10 DC H4' H 1 4.196 .003 . . . . . B 22 DC H4' . 17787 1
151 . 2 2 10 10 DC H5 H 1 5.333 .003 . 1 . . . B 22 DC H5 . 17787 1
152 . 2 2 10 10 DC H6 H 1 7.360 .003 . 1 . . . B 22 DC H6 . 17787 1
153 . 2 2 11 11 DA H1' H 1 6.282 .003 . . . . . B 23 DA H1' . 17787 1
154 . 2 2 11 11 DA H2' H 1 2.690 .003 . . . . . B 23 DA H2' . 17787 1
155 . 2 2 11 11 DA H2'' H 1 2.905 .003 . 2 . . . B 23 DA H2'' . 17787 1
156 . 2 2 11 11 DA H3' H 1 5.023 .003 . . . . . B 23 DA H3' . 17787 1
157 . 2 2 11 11 DA H4' H 1 4.406 .003 . . . . . B 23 DA H4' . 17787 1
158 . 2 2 11 11 DA H8 H 1 8.275 .003 . 1 . . . B 23 DA H8 . 17787 1
159 . 2 2 12 12 DC H1' H 1 6.105 .003 . . . . . B 24 DC H1' . 17787 1
160 . 2 2 12 12 DC H2' H 1 2.133 .003 . . . . . B 24 DC H2' . 17787 1
161 . 2 2 12 12 DC H3' H 1 4.500 .003 . . . . . B 24 DC H3' . 17787 1
162 . 2 2 12 12 DC H4' H 1 4.037 .003 . . . . . B 24 DC H4' . 17787 1
163 . 2 2 12 12 DC H5 H 1 5.387 .003 . 1 . . . B 24 DC H5 . 17787 1
164 . 2 2 12 12 DC H6 H 1 7.386 .003 . 1 . . . B 24 DC H6 . 17787 1
stop_
save_