###################################
# 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_chemical_shift_assignment_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one
_Assigned_chem_shift_list.Entry_ID 4244
_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_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one
_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 NOESY . . . 4244 1
2 DQF-COSY . . . 4244 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 13.040 . . 1 . . . . . . . . 4244 1
2 . 1 1 1 1 DG H8 H 1 7.927 . . 1 . . . . . . . . 4244 1
3 . 1 1 1 1 DG H1' H 1 5.943 . . 1 . . . . . . . . 4244 1
4 . 1 1 1 1 DG H2' H 1 2.567 . . 1 . . . . . . . . 4244 1
5 . 1 1 1 1 DG H2'' H 1 2.744 . . 1 . . . . . . . . 4244 1
6 . 1 1 1 1 DG H3' H 1 4.835 . . 1 . . . . . . . . 4244 1
7 . 1 1 1 1 DG H4' H 1 4.226 . . 1 . . . . . . . . 4244 1
8 . 1 1 1 1 DG H5' H 1 3.693 . . 1 . . . . . . . . 4244 1
9 . 1 1 1 1 DG H5'' H 1 3.693 . . 1 . . . . . . . . 4244 1
10 . 1 1 2 2 DC H5 H 1 5.344 . . 1 . . . . . . . . 4244 1
11 . 1 1 2 2 DC H6 H 1 7.359 . . 1 . . . . . . . . 4244 1
12 . 1 1 2 2 DC H1' H 1 5.605 . . 1 . . . . . . . . 4244 1
13 . 1 1 2 2 DC H2' H 1 2.015 . . 1 . . . . . . . . 4244 1
14 . 1 1 2 2 DC H2'' H 1 2.347 . . 1 . . . . . . . . 4244 1
15 . 1 1 2 2 DC H3' H 1 4.832 . . 1 . . . . . . . . 4244 1
16 . 1 1 2 2 DC H4' H 1 4.149 . . 1 . . . . . . . . 4244 1
17 . 1 1 2 2 DC H5' H 1 4.098 . . 1 . . . . . . . . 4244 1
18 . 1 1 2 2 DC H5'' H 1 4.098 . . 1 . . . . . . . . 4244 1
19 . 1 1 2 2 DC P P 31 -0.54 . . 1 . . . . . . . . 4244 1
20 . 1 1 3 3 DG H1 H 1 12.751 . . 1 . . . . . . . . 4244 1
21 . 1 1 3 3 DG H8 H 1 7.822 . . 1 . . . . . . . . 4244 1
22 . 1 1 3 3 DG H1' H 1 5.598 . . 1 . . . . . . . . 4244 1
23 . 1 1 3 3 DG H2' H 1 2.648 . . 1 . . . . . . . . 4244 1
24 . 1 1 3 3 DG H2'' H 1 2.801 . . 1 . . . . . . . . 4244 1
25 . 1 1 3 3 DG H3' H 1 5.003 . . 1 . . . . . . . . 4244 1
26 . 1 1 3 3 DG H4' H 1 4.336 . . 1 . . . . . . . . 4244 1
27 . 1 1 3 3 DG H5' H 1 4.013 . . 1 . . . . . . . . 4244 1
28 . 1 1 3 3 DG H5'' H 1 4.013 . . 1 . . . . . . . . 4244 1
29 . 1 1 3 3 DG P P 31 -0.24 . . 1 . . . . . . . . 4244 1
30 . 1 1 4 4 DA H2 H 1 7.207 . . 1 . . . . . . . . 4244 1
31 . 1 1 4 4 DA H8 H 1 8.043 . . 1 . . . . . . . . 4244 1
32 . 1 1 4 4 DA H1' H 1 5.960 . . 1 . . . . . . . . 4244 1
33 . 1 1 4 4 DA H2' H 1 2.639 . . 1 . . . . . . . . 4244 1
34 . 1 1 4 4 DA H2'' H 1 2.931 . . 1 . . . . . . . . 4244 1
35 . 1 1 4 4 DA H3' H 1 5.048 . . 1 . . . . . . . . 4244 1
36 . 1 1 4 4 DA H4' H 1 4.446 . . 1 . . . . . . . . 4244 1
37 . 1 1 4 4 DA H5' H 1 4.202 . . 1 . . . . . . . . 4244 1
38 . 1 1 4 4 DA H5'' H 1 4.202 . . 1 . . . . . . . . 4244 1
39 . 1 1 4 4 DA P P 31 -0.77 . . 1 . . . . . . . . 4244 1
40 . 1 1 5 5 DA H2 H 1 7.668 . . 1 . . . . . . . . 4244 1
41 . 1 1 5 5 DA H8 H 1 8.139 . . 1 . . . . . . . . 4244 1
42 . 1 1 5 5 DA H1' H 1 6.150 . . 1 . . . . . . . . 4244 1
43 . 1 1 5 5 DA H2' H 1 2.567 . . 1 . . . . . . . . 4244 1
44 . 1 1 5 5 DA H2'' H 1 2.927 . . 1 . . . . . . . . 4244 1
45 . 1 1 5 5 DA H3' H 1 5.015 . . 1 . . . . . . . . 4244 1
46 . 1 1 5 5 DA H4' H 1 4.452 . . 1 . . . . . . . . 4244 1
47 . 1 1 5 5 DA H5' H 1 4.245 . . 1 . . . . . . . . 4244 1
48 . 1 1 5 5 DA H5'' H 1 4.245 . . 1 . . . . . . . . 4244 1
49 . 1 1 5 5 DA P P 31 -0.65 . . 1 . . . . . . . . 4244 1
50 . 1 1 6 6 DT H3 H 1 13.950 . . 1 . . . . . . . . 4244 1
51 . 1 1 6 6 DT H6 H 1 7.190 . . 1 . . . . . . . . 4244 1
52 . 1 1 6 6 DT H71 H 1 1.312 . . 1 . . . . . . . . 4244 1
53 . 1 1 6 6 DT H72 H 1 1.312 . . 1 . . . . . . . . 4244 1
54 . 1 1 6 6 DT H73 H 1 1.312 . . 1 . . . . . . . . 4244 1
55 . 1 1 6 6 DT H1' H 1 5.922 . . 1 . . . . . . . . 4244 1
56 . 1 1 6 6 DT H2' H 1 2.173 . . 1 . . . . . . . . 4244 1
57 . 1 1 6 6 DT H2'' H 1 2.295 . . 1 . . . . . . . . 4244 1
58 . 1 1 6 6 DT H3' H 1 4.855 . . 1 . . . . . . . . 4244 1
59 . 1 1 6 6 DT H4' H 1 4.238 . . 1 . . . . . . . . 4244 1
60 . 1 1 6 6 DT H5' H 1 4.123 . . 1 . . . . . . . . 4244 1
61 . 1 1 6 6 DT H5'' H 1 4.123 . . 1 . . . . . . . . 4244 1
62 . 1 1 6 6 DT P P 31 -0.84 . . 1 . . . . . . . . 4244 1
63 . 1 1 7 7 ATD H3 H 1 13.535 . . 1 . . . . . . . . 4244 1
64 . 1 1 7 7 ATD H6 H 1 7.531 . . 1 . . . . . . . . 4244 1
65 . 1 1 7 7 ATD H71 H 1 1.567 . . 1 . . . . . . . . 4244 1
66 . 1 1 7 7 ATD H72 H 1 1.567 . . 1 . . . . . . . . 4244 1
67 . 1 1 7 7 ATD H73 H 1 1.567 . . 1 . . . . . . . . 4244 1
68 . 1 1 7 7 ATD H1' H 1 6.083 . . 1 . . . . . . . . 4244 1
69 . 1 1 7 7 ATD H2' H 1 2.876 . . 1 . . . . . . . . 4244 1
70 . 1 1 7 7 ATD H2'' H 1 1.936 . . 1 . . . . . . . . 4244 1
71 . 1 1 7 7 ATD H3' H 1 5.002 . . 1 . . . . . . . . 4244 1
72 . 1 1 7 7 ATD H4' H 1 4.752 . . 1 . . . . . . . . 4244 1
73 . 1 1 7 7 ATD H5' H 1 4.091 . . 1 . . . . . . . . 4244 1
74 . 1 1 7 7 ATD H5'' H 1 3.876 . . 1 . . . . . . . . 4244 1
75 . 1 1 7 7 ATD P P 31 -2.14 . . 1 . . . . . . . . 4244 1
76 . 1 1 8 8 DC H5 H 1 5.671 . . 1 . . . . . . . . 4244 1
77 . 1 1 8 8 DC H6 H 1 7.566 . . 1 . . . . . . . . 4244 1
78 . 1 1 8 8 DC H1' H 1 5.788 . . 1 . . . . . . . . 4244 1
79 . 1 1 8 8 DC H2' H 1 2.005 . . 1 . . . . . . . . 4244 1
80 . 1 1 8 8 DC H2'' H 1 2.441 . . 1 . . . . . . . . 4244 1
81 . 1 1 8 8 DC H3' H 1 4.720 . . 1 . . . . . . . . 4244 1
82 . 1 1 8 8 DC H4' H 1 4.199 . . 1 . . . . . . . . 4244 1
83 . 1 1 8 8 DC P P 31 0.77 . . 1 . . . . . . . . 4244 1
84 . 1 1 9 9 DG H1 H 1 12.993 . . 1 . . . . . . . . 4244 1
85 . 1 1 9 9 DG H8 H 1 7.903 . . 1 . . . . . . . . 4244 1
86 . 1 1 9 9 DG H1' H 1 5.934 . . 1 . . . . . . . . 4244 1
87 . 1 1 9 9 DG H2' H 1 2.588 . . 1 . . . . . . . . 4244 1
88 . 1 1 9 9 DG H2'' H 1 2.722 . . 1 . . . . . . . . 4244 1
89 . 1 1 9 9 DG H3' H 1 4.969 . . 1 . . . . . . . . 4244 1
90 . 1 1 9 9 DG H4' H 1 4.344 . . 1 . . . . . . . . 4244 1
91 . 1 1 9 9 DG H5' H 1 4.043 . . 1 . . . . . . . . 4244 1
92 . 1 1 9 9 DG H5'' H 1 4.043 . . 1 . . . . . . . . 4244 1
93 . 1 1 9 9 DG P P 31 -0.57 . . 1 . . . . . . . . 4244 1
94 . 1 1 10 10 DC H5 H 1 5.375 . . 1 . . . . . . . . 4244 1
95 . 1 1 10 10 DC H6 H 1 7.404 . . 1 . . . . . . . . 4244 1
96 . 1 1 10 10 DC H1' H 1 6.161 . . 1 . . . . . . . . 4244 1
97 . 1 1 10 10 DC H2' H 1 2.176 . . 1 . . . . . . . . 4244 1
98 . 1 1 10 10 DC H2'' H 1 2.176 . . 1 . . . . . . . . 4244 1
99 . 1 1 10 10 DC H3' H 1 4.481 . . 1 . . . . . . . . 4244 1
100 . 1 1 10 10 DC H4' H 1 4.041 . . 1 . . . . . . . . 4244 1
101 . 1 1 10 10 DC H5' H 1 4.228 . . 1 . . . . . . . . 4244 1
102 . 1 1 10 10 DC H5'' H 1 4.228 . . 1 . . . . . . . . 4244 1
103 . 1 1 10 10 DC P P 31 -0.37 . . 1 . . . . . . . . 4244 1
stop_
save_