###################################
# 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 34624
_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' . . . 34624 1
2 '2D DQF-COSY' . . . 34624 1
3 '2D 1H-1H TOCSY' . . . 34624 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 DC H1' H 1 5.757 0.011 . . . . . . A 1 DC H1' . 34624 1
2 . 1 . 1 1 1 DC H2' H 1 2.011 0.023 . . . . . . A 1 DC H2' . 34624 1
3 . 1 . 1 1 1 DC H2'' H 1 2.438 0.011 . . . . . . A 1 DC H2'' . 34624 1
4 . 1 . 1 1 1 DC H3' H 1 4.720 0.008 . . . . . . A 1 DC H3' . 34624 1
5 . 1 . 1 1 1 DC H4' H 1 4.074 0.002 . . . . . . A 1 DC H4' . 34624 1
6 . 1 . 1 1 1 DC H5 H 1 5.915 0.002 . . . . . . A 1 DC H5 . 34624 1
7 . 1 . 1 1 1 DC H6 H 1 7.684 0.049 . . . . . . A 1 DC H6 . 34624 1
8 . 1 . 1 1 1 DC H41 H 1 7.178 0.009 . . . . . . A 1 DC H41 . 34624 1
9 . 1 . 1 1 1 DC H42 H 1 8.215 0.001 . . . . . . A 1 DC H42 . 34624 1
10 . 1 . 1 2 2 DG H1 H 1 13.112 0.006 . . . . . . A 2 DG H1 . 34624 1
11 . 1 . 1 2 2 DG H1' H 1 5.918 0.003 . . . . . . A 2 DG H1' . 34624 1
12 . 1 . 1 2 2 DG H2' H 1 2.687 0.006 . . . . . . A 2 DG H2' . 34624 1
13 . 1 . 1 2 2 DG H2'' H 1 2.759 0.005 . . . . . . A 2 DG H2'' . 34624 1
14 . 1 . 1 2 2 DG H3' H 1 4.987 0.005 . . . . . . A 2 DG H3' . 34624 1
15 . 1 . 1 2 2 DG H4' H 1 4.284 0.122 . . . . . . A 2 DG H4' . 34624 1
16 . 1 . 1 2 2 DG H5' H 1 4.105 0.000 . . . . . . A 2 DG H5' . 34624 1
17 . 1 . 1 2 2 DG H5'' H 1 4.022 0.045 . . . . . . A 2 DG H5'' . 34624 1
18 . 1 . 1 2 2 DG H8 H 1 7.997 0.009 . . . . . . A 2 DG H8 . 34624 1
19 . 1 . 1 3 3 DC H1' H 1 5.712 0.003 . . . . . . A 3 DC H1' . 34624 1
20 . 1 . 1 3 3 DC H2' H 1 2.110 0.012 . . . . . . A 3 DC H2' . 34624 1
21 . 1 . 1 3 3 DC H2'' H 1 2.445 0.007 . . . . . . A 3 DC H2'' . 34624 1
22 . 1 . 1 3 3 DC H3' H 1 4.869 0.008 . . . . . . A 3 DC H3' . 34624 1
23 . 1 . 1 3 3 DC H4' H 1 4.213 0.008 . . . . . . A 3 DC H4' . 34624 1
24 . 1 . 1 3 3 DC H5 H 1 5.400 0.005 . . . . . . A 3 DC H5 . 34624 1
25 . 1 . 1 3 3 DC H6 H 1 7.373 0.007 . . . . . . A 3 DC H6 . 34624 1
26 . 1 . 1 3 3 DC H41 H 1 6.570 0.003 . . . . . . A 3 DC H41 . 34624 1
27 . 1 . 1 3 3 DC H42 H 1 8.386 0.010 . . . . . . A 3 DC H42 . 34624 1
28 . 1 . 1 4 4 DG H1 H 1 12.910 0.004 . . . . . . A 4 DG H1 . 34624 1
29 . 1 . 1 4 4 DG H1' H 1 5.992 0.007 . . . . . . A 4 DG H1' . 34624 1
30 . 1 . 1 4 4 DG H2' H 1 2.654 0.007 . . . . . . A 4 DG H2' . 34624 1
31 . 1 . 1 4 4 DG H2'' H 1 2.809 0.016 . . . . . . A 4 DG H2'' . 34624 1
32 . 1 . 1 4 4 DG H3' H 1 4.985 0.003 . . . . . . A 4 DG H3' . 34624 1
33 . 1 . 1 4 4 DG H4' H 1 4.395 0.006 . . . . . . A 4 DG H4' . 34624 1
34 . 1 . 1 4 4 DG H5' H 1 4.215 0.010 . . . . . . A 4 DG H5' . 34624 1
35 . 1 . 1 4 4 DG H5'' H 1 4.084 0.008 . . . . . . A 4 DG H5'' . 34624 1
36 . 1 . 1 4 4 DG H8 H 1 7.954 0.010 . . . . . . A 4 DG H8 . 34624 1
37 . 1 . 1 5 5 DT H1' H 1 5.991 0.006 . . . . . . A 5 DT H1' . 34624 1
38 . 1 . 1 5 5 DT H2' H 1 1.997 0.077 . . . . . . A 5 DT H2' . 34624 1
39 . 1 . 1 5 5 DT H2'' H 1 2.465 0.009 . . . . . . A 5 DT H2'' . 34624 1
40 . 1 . 1 5 5 DT H3 H 1 13.826 0.006 . . . . . . A 5 DT H3 . 34624 1
41 . 1 . 1 5 5 DT H3' H 1 4.848 0.004 . . . . . . A 5 DT H3' . 34624 1
42 . 1 . 1 5 5 DT H4' H 1 4.220 0.006 . . . . . . A 5 DT H4' . 34624 1
43 . 1 . 1 5 5 DT H6 H 1 7.242 0.017 . . . . . . A 5 DT H6 . 34624 1
44 . 1 . 1 5 5 DT H71 H 1 1.439 0.114 . . . . . . A 5 DT M7 . 34624 1
45 . 1 . 1 5 5 DT H72 H 1 1.439 0.114 . . . . . . A 5 DT M7 . 34624 1
46 . 1 . 1 5 5 DT H73 H 1 1.439 0.114 . . . . . . A 5 DT M7 . 34624 1
47 . 1 . 1 5 5 DT H5' H 1 4.111 0.014 . . . . . . A 5 DT Q5' . 34624 1
48 . 1 . 1 5 5 DT H5'' H 1 4.111 0.014 . . . . . . A 5 DT Q5' . 34624 1
49 . 1 . 1 6 6 DC H1' H 1 5.509 0.033 . . . . . . A 6 DC H1' . 34624 1
50 . 1 . 1 6 6 DC H2' H 1 2.000 0.014 . . . . . . A 6 DC H2' . 34624 1
51 . 1 . 1 6 6 DC H2'' H 1 2.348 0.013 . . . . . . A 6 DC H2'' . 34624 1
52 . 1 . 1 6 6 DC H3' H 1 4.823 0.007 . . . . . . A 6 DC H3' . 34624 1
53 . 1 . 1 6 6 DC H5 H 1 5.588 0.001 . . . . . . A 6 DC H5 . 34624 1
54 . 1 . 1 6 6 DC H6 H 1 7.517 0.234 . . . . . . A 6 DC H6 . 34624 1
55 . 1 . 1 6 6 DC H41 H 1 7.178 0.430 . . . . . . A 6 DC H41 . 34624 1
56 . 1 . 1 6 6 DC H42 H 1 8.854 0.326 . . . . . . A 6 DC H42 . 34624 1
57 . 1 . 1 7 7 DG H1 H 1 12.743 0.006 . . . . . . A 7 DG H1 . 34624 1
58 . 1 . 1 7 7 DG H1' H 1 5.512 0.012 . . . . . . A 7 DG H1' . 34624 1
59 . 1 . 1 7 7 DG H2' H 1 2.785 0.009 . . . . . . A 7 DG H2' . 34624 1
60 . 1 . 1 7 7 DG H2'' H 1 2.691 0.012 . . . . . . A 7 DG H2'' . 34624 1
61 . 1 . 1 7 7 DG H3' H 1 5.005 0.002 . . . . . . A 7 DG H3' . 34624 1
62 . 1 . 1 7 7 DG H4' H 1 4.337 0.006 . . . . . . A 7 DG H4' . 34624 1
63 . 1 . 1 7 7 DG H5' H 1 4.084 0.000 . . . . . . A 7 DG H5' . 34624 1
64 . 1 . 1 7 7 DG H5'' H 1 4.005 0.000 . . . . . . A 7 DG H5'' . 34624 1
65 . 1 . 1 7 7 DG H8 H 1 7.908 0.042 . . . . . . A 7 DG H8 . 34624 1
66 . 1 . 1 8 8 DA H1' H 1 6.176 0.005 . . . . . . A 8 DA H1' . 34624 1
67 . 1 . 1 8 8 DA H2 H 1 7.775 0.002 . . . . . . A 8 DA H2 . 34624 1
68 . 1 . 1 8 8 DA H2' H 1 2.650 0.010 . . . . . . A 8 DA H2' . 34624 1
69 . 1 . 1 8 8 DA H2'' H 1 2.882 0.004 . . . . . . A 8 DA H2'' . 34624 1
70 . 1 . 1 8 8 DA H3' H 1 5.027 0.007 . . . . . . A 8 DA H3' . 34624 1
71 . 1 . 1 8 8 DA H4' H 1 4.450 0.004 . . . . . . A 8 DA H4' . 34624 1
72 . 1 . 1 8 8 DA H5' H 1 4.205 0.009 . . . . . . A 8 DA H5' . 34624 1
73 . 1 . 1 8 8 DA H5'' H 1 4.126 0.019 . . . . . . A 8 DA H5'' . 34624 1
74 . 1 . 1 8 8 DA H8 H 1 8.181 0.001 . . . . . . A 8 DA H8 . 34624 1
75 . 1 . 1 9 9 DC H1' H 1 5.538 0.010 . . . . . . A 9 DC H1' . 34624 1
76 . 1 . 1 9 9 DC H2' H 1 1.917 0.012 . . . . . . A 9 DC H2' . 34624 1
77 . 1 . 1 9 9 DC H2'' H 1 2.294 0.008 . . . . . . A 9 DC H2'' . 34624 1
78 . 1 . 1 9 9 DC H3' H 1 4.813 0.004 . . . . . . A 9 DC H3' . 34624 1
79 . 1 . 1 9 9 DC H4' H 1 4.194 0.048 . . . . . . A 9 DC H4' . 34624 1
80 . 1 . 1 9 9 DC H5 H 1 5.198 0.015 . . . . . . A 9 DC H5 . 34624 1
81 . 1 . 1 9 9 DC H6 H 1 7.194 0.005 . . . . . . A 9 DC H6 . 34624 1
82 . 1 . 1 9 9 DC H41 H 1 6.598 0.005 . . . . . . A 9 DC H41 . 34624 1
83 . 1 . 1 9 9 DC H42 H 1 8.205 0.003 . . . . . . A 9 DC H42 . 34624 1
84 . 1 . 1 10 10 DG H1 H 1 12.946 0.003 . . . . . . A 10 DG H1 . 34624 1
85 . 1 . 1 10 10 DG H1' H 1 5.844 0.006 . . . . . . A 10 DG H1' . 34624 1
86 . 1 . 1 10 10 DG H2' H 1 2.603 0.029 . . . . . . A 10 DG H2' . 34624 1
87 . 1 . 1 10 10 DG H2'' H 1 2.689 0.005 . . . . . . A 10 DG H2'' . 34624 1
88 . 1 . 1 10 10 DG H3' H 1 4.957 0.006 . . . . . . A 10 DG H3' . 34624 1
89 . 1 . 1 10 10 DG H4' H 1 4.337 0.008 . . . . . . A 10 DG H4' . 34624 1
90 . 1 . 1 10 10 DG H5' H 1 4.110 0.029 . . . . . . A 10 DG H5' . 34624 1
91 . 1 . 1 10 10 DG H5'' H 1 4.014 0.036 . . . . . . A 10 DG H5'' . 34624 1
92 . 1 . 1 10 10 DG H8 H 1 7.869 0.008 . . . . . . A 10 DG H8 . 34624 1
93 . 1 . 1 11 11 DC H1' H 1 5.724 0.019 . . . . . . A 11 DC H1' . 34624 1
94 . 1 . 1 11 11 DC H2' H 1 1.921 0.013 . . . . . . A 11 DC H2' . 34624 1
95 . 1 . 1 11 11 DC H2'' H 1 2.339 0.006 . . . . . . A 11 DC H2'' . 34624 1
96 . 1 . 1 11 11 DC H3' H 1 4.853 0.043 . . . . . . A 11 DC H3' . 34624 1
97 . 1 . 1 11 11 DC H4' H 1 4.141 0.035 . . . . . . A 11 DC H4' . 34624 1
98 . 1 . 1 11 11 DC H5 H 1 5.426 0.006 . . . . . . A 11 DC H5 . 34624 1
99 . 1 . 1 11 11 DC H6 H 1 7.347 0.008 . . . . . . A 11 DC H6 . 34624 1
100 . 1 . 1 11 11 DC H41 H 1 6.715 0.002 . . . . . . A 11 DC H41 . 34624 1
101 . 1 . 1 11 11 DC H42 H 1 8.497 0.007 . . . . . . A 11 DC H42 . 34624 1
102 . 1 . 1 12 12 DG H1 H 1 13.119 0.000 . . . . . . A 12 DG H1 . 34624 1
103 . 1 . 1 12 12 DG H1' H 1 6.162 0.004 . . . . . . A 12 DG H1' . 34624 1
104 . 1 . 1 12 12 DG H2' H 1 2.582 0.091 . . . . . . A 12 DG H2' . 34624 1
105 . 1 . 1 12 12 DG H2'' H 1 2.407 0.096 . . . . . . A 12 DG H2'' . 34624 1
106 . 1 . 1 12 12 DG H3' H 1 4.678 0.009 . . . . . . A 12 DG H3' . 34624 1
107 . 1 . 1 12 12 DG H4' H 1 4.075 0.005 . . . . . . A 12 DG H4' . 34624 1
108 . 1 . 1 12 12 DG H8 H 1 7.959 0.052 . . . . . . A 12 DG H8 . 34624 1
stop_
save_