###################################
# 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 30699
_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 'D2O 2D 1H-1H NOESY' . . . 30699 1
2 'H2O 2D 1H-1H NOESY' . . . 30699 1
3 'D2O 2D DQF-COSY' . . . 30699 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 C H1' H 1 5.614 0.00 . . . . . . A 1 C H1' . 30699 1
2 . 1 . 1 1 1 C H2' H 1 4.466 0.00 . . . . . . A 1 C H2' . 30699 1
3 . 1 . 1 1 1 C H3' H 1 4.561 0.00 . . . . . . A 1 C H3' . 30699 1
4 . 1 . 1 1 1 C H4' H 1 4.404 0.00 . . . . . . A 1 C H4' . 30699 1
5 . 1 . 1 1 1 C H5 H 1 6.080 0.00 . . . . . . A 1 C H5 . 30699 1
6 . 1 . 1 1 1 C H5' H 1 3.982 0.00 . . . . . . A 1 C H5' . 30699 1
7 . 1 . 1 1 1 C H5'' H 1 4.144 0.00 . . . . . . A 1 C H5'' . 30699 1
8 . 1 . 1 1 1 C H6 H 1 8.195 0.00 . . . . . . A 1 C H6 . 30699 1
9 . 1 . 1 2 2 C H1' H 1 5.670 0.00 . . . . . . A 2 C H1' . 30699 1
10 . 1 . 1 2 2 C H2' H 1 4.641 0.00 . . . . . . A 2 C H2' . 30699 1
11 . 1 . 1 2 2 C H3' H 1 4.755 0.00 . . . . . . A 2 C H3' . 30699 1
12 . 1 . 1 2 2 C H5 H 1 5.672 0.00 . . . . . . A 2 C H5 . 30699 1
13 . 1 . 1 2 2 C H6 H 1 8.058 0.00 . . . . . . A 2 C H6 . 30699 1
14 . 1 . 1 3 3 G H1' H 1 5.812 0.00 . . . . . . A 3 G H1' . 30699 1
15 . 1 . 1 3 3 G H2' H 1 4.631 0.00 . . . . . . A 3 G H2' . 30699 1
16 . 1 . 1 3 3 G H3' H 1 4.553 0.00 . . . . . . A 3 G H3' . 30699 1
17 . 1 . 1 3 3 G H4' H 1 4.567 0.00 . . . . . . A 3 G H4' . 30699 1
18 . 1 . 1 3 3 G H8 H 1 7.722 0.00 . . . . . . A 3 G H8 . 30699 1
19 . 1 . 1 4 4 G H1' H 1 5.785 0.00 . . . . . . A 4 G H1' . 30699 1
20 . 1 . 1 4 4 G H2' H 1 4.594 0.00 . . . . . . A 4 G H2' . 30699 1
21 . 1 . 1 4 4 G H3' H 1 4.409 0.00 . . . . . . A 4 G H3' . 30699 1
22 . 1 . 1 4 4 G H4' H 1 4.514 0.00 . . . . . . A 4 G H4' . 30699 1
23 . 1 . 1 4 4 G H8 H 1 7.272 0.00 . . . . . . A 4 G H8 . 30699 1
24 . 1 . 1 5 5 C H1' H 1 5.671 0.00 . . . . . . A 5 C H1' . 30699 1
25 . 1 . 1 5 5 C H2' H 1 4.210 0.00 . . . . . . A 5 C H2' . 30699 1
26 . 1 . 1 5 5 C H3' H 1 4.497 0.00 . . . . . . A 5 C H3' . 30699 1
27 . 1 . 1 5 5 C H5 H 1 5.339 0.00 . . . . . . A 5 C H5 . 30699 1
28 . 1 . 1 5 5 C H6 H 1 7.521 0.00 . . . . . . A 5 C H6 . 30699 1
29 . 1 . 1 6 6 A H1' H 1 6.071 0.00 . . . . . . A 6 A H1' . 30699 1
30 . 1 . 1 6 6 A H2' H 1 4.526 0.00 . . . . . . A 6 A H2' . 30699 1
31 . 1 . 1 6 6 A H3' H 1 4.874 0.00 . . . . . . A 6 A H3' . 30699 1
32 . 1 . 1 6 6 A H4' H 1 4.246 0.00 . . . . . . A 6 A H4' . 30699 1
33 . 1 . 1 6 6 A H8 H 1 8.330 0.00 . . . . . . A 6 A H8 . 30699 1
34 . 1 . 1 7 7 G H1' H 1 5.700 0.00 . . . . . . A 7 G H1' . 30699 1
35 . 1 . 1 7 7 G H2' H 1 4.559 0.00 . . . . . . A 7 G H2' . 30699 1
36 . 1 . 1 7 7 G H3' H 1 4.420 0.00 . . . . . . A 7 G H3' . 30699 1
37 . 1 . 1 7 7 G H8 H 1 7.808 0.00 . . . . . . A 7 G H8 . 30699 1
38 . 1 . 1 8 8 U H1' H 1 5.649 0.00 . . . . . . A 8 U H1' . 30699 1
39 . 1 . 1 8 8 U H2' H 1 4.564 0.00 . . . . . . A 8 U H2' . 30699 1
40 . 1 . 1 8 8 U H3' H 1 4.603 0.00 . . . . . . A 8 U H3' . 30699 1
41 . 1 . 1 8 8 U H5 H 1 5.112 0.00 . . . . . . A 8 U H5 . 30699 1
42 . 1 . 1 8 8 U H6 H 1 7.843 0.00 . . . . . . A 8 U H6 . 30699 1
43 . 1 . 1 9 9 G H1' H 1 5.859 0.00 . . . . . . A 9 G H1' . 30699 1
44 . 1 . 1 9 9 G H2' H 1 4.495 0.00 . . . . . . A 9 G H2' . 30699 1
45 . 1 . 1 9 9 G H3' H 1 4.605 0.01 . . . . . . A 9 G H3' . 30699 1
46 . 1 . 1 9 9 G H4' H 1 4.544 0.00 . . . . . . A 9 G H4' . 30699 1
47 . 1 . 1 9 9 G H5' H 1 4.205 0.00 . . . . . . A 9 G H5' . 30699 1
48 . 1 . 1 9 9 G H8 H 1 7.763 0.01 . . . . . . A 9 G H8 . 30699 1
49 . 1 . 1 10 10 U H1' H 1 5.514 0.00 . . . . . . A 10 U H1' . 30699 1
50 . 1 . 1 10 10 U H2' H 1 4.335 0.00 . . . . . . A 10 U H2' . 30699 1
51 . 1 . 1 10 10 U H3' H 1 4.524 0.00 . . . . . . A 10 U H3' . 30699 1
52 . 1 . 1 10 10 U H4' H 1 4.427 0.00 . . . . . . A 10 U H4' . 30699 1
53 . 1 . 1 10 10 U H5 H 1 5.186 0.00 . . . . . . A 10 U H5 . 30699 1
54 . 1 . 1 10 10 U H6 H 1 7.714 0.00 . . . . . . A 10 U H6 . 30699 1
55 . 1 . 1 11 11 G H1' H 1 5.890 0.00 . . . . . . A 11 G H1' . 30699 1
56 . 1 . 1 11 11 G H2' H 1 4.074 0.00 . . . . . . A 11 G H2' . 30699 1
57 . 1 . 1 11 11 G H3' H 1 4.331 0.00 . . . . . . A 11 G H3' . 30699 1
58 . 1 . 1 11 11 G H4' H 1 4.254 0.00 . . . . . . A 11 G H4' . 30699 1
59 . 1 . 1 11 11 G H8 H 1 7.724 0.00 . . . . . . A 11 G H8 . 30699 1
60 . 2 . 2 1 1 C H1' H 1 5.551 0.00 . . . . . . B 12 C H1' . 30699 1
61 . 2 . 2 1 1 C H2' H 1 4.519 0.00 . . . . . . B 12 C H2' . 30699 1
62 . 2 . 2 1 1 C H3' H 1 4.625 0.00 . . . . . . B 12 C H3' . 30699 1
63 . 2 . 2 1 1 C H4' H 1 4.392 0.00 . . . . . . B 12 C H4' . 30699 1
64 . 2 . 2 1 1 C H5 H 1 5.994 0.00 . . . . . . B 12 C H5 . 30699 1
65 . 2 . 2 1 1 C H5' H 1 3.973 0.00 . . . . . . B 12 C H5' . 30699 1
66 . 2 . 2 1 1 C H5'' H 1 4.101 0.00 . . . . . . B 12 C H5'' . 30699 1
67 . 2 . 2 1 1 C H6 H 1 8.120 0.00 . . . . . . B 12 C H6 . 30699 1
68 . 2 . 2 2 2 A H1' H 1 6.017 0.00 . . . . . . B 13 A H1' . 30699 1
69 . 2 . 2 2 2 A H2 H 1 7.594 0.00 . . . . . . B 13 A H2 . 30699 1
70 . 2 . 2 2 2 A H2' H 1 4.575 0.00 . . . . . . B 13 A H2' . 30699 1
71 . 2 . 2 2 2 A H3' H 1 4.879 0.00 . . . . . . B 13 A H3' . 30699 1
72 . 2 . 2 2 2 A H8 H 1 8.337 0.00 . . . . . . B 13 A H8 . 30699 1
73 . 2 . 2 3 3 C H1' H 1 5.480 0.00 . . . . . . B 14 C H1' . 30699 1
74 . 2 . 2 3 3 C H2' H 1 4.311 0.00 . . . . . . B 14 C H2' . 30699 1
75 . 2 . 2 3 3 C H3' H 1 4.577 0.00 . . . . . . B 14 C H3' . 30699 1
76 . 2 . 2 3 3 C H4' H 1 4.465 0.00 . . . . . . B 14 C H4' . 30699 1
77 . 2 . 2 3 3 C H5 H 1 5.287 0.00 . . . . . . B 14 C H5 . 30699 1
78 . 2 . 2 3 3 C H5' H 1 4.184 0.00 . . . . . . B 14 C H5' . 30699 1
79 . 2 . 2 3 3 C H6 H 1 7.697 0.00 . . . . . . B 14 C H6 . 30699 1
80 . 2 . 2 4 4 A H1' H 1 5.971 0.00 . . . . . . B 15 A H1' . 30699 1
81 . 2 . 2 4 4 A H2 H 1 7.481 0.00 . . . . . . B 15 A H2 . 30699 1
82 . 2 . 2 4 4 A H2' H 1 4.517 0.00 . . . . . . B 15 A H2' . 30699 1
83 . 2 . 2 4 4 A H3' H 1 4.740 0.00 . . . . . . B 15 A H3' . 30699 1
84 . 2 . 2 4 4 A H4' H 1 4.191 0.00 . . . . . . B 15 A H4' . 30699 1
85 . 2 . 2 4 4 A H8 H 1 8.074 0.00 . . . . . . B 15 A H8 . 30699 1
86 . 2 . 2 5 5 C H1' H 1 5.497 0.00 . . . . . . B 16 C H1' . 30699 1
87 . 2 . 2 5 5 C H2' H 1 4.326 0.00 . . . . . . B 16 C H2' . 30699 1
88 . 2 . 2 5 5 C H3' H 1 4.454 0.00 . . . . . . B 16 C H3' . 30699 1
89 . 2 . 2 5 5 C H4' H 1 4.431 0.00 . . . . . . B 16 C H4' . 30699 1
90 . 2 . 2 5 5 C H5 H 1 5.304 0.00 . . . . . . B 16 C H5 . 30699 1
91 . 2 . 2 5 5 C H6 H 1 7.411 0.00 . . . . . . B 16 C H6 . 30699 1
92 . 2 . 2 6 6 G H1' H 1 5.683 0.00 . . . . . . B 17 G H1' . 30699 1
93 . 2 . 2 6 6 G H2' H 1 4.626 0.00 . . . . . . B 17 G H2' . 30699 1
94 . 2 . 2 6 6 G H3' H 1 4.506 0.00 . . . . . . B 17 G H3' . 30699 1
95 . 2 . 2 6 6 G H4' H 1 4.436 0.00 . . . . . . B 17 G H4' . 30699 1
96 . 2 . 2 6 6 G H8 H 1 7.617 0.00 . . . . . . B 17 G H8 . 30699 1
97 . 2 . 2 7 7 U H1' H 1 5.445 0.00 . . . . . . B 18 U H1' . 30699 1
98 . 2 . 2 7 7 U H2' H 1 4.113 0.00 . . . . . . B 18 U H2' . 30699 1
99 . 2 . 2 7 7 U H3' H 1 4.572 0.03 . . . . . . B 18 U H3' . 30699 1
100 . 2 . 2 7 7 U H4' H 1 4.408 0.00 . . . . . . B 18 U H4' . 30699 1
101 . 2 . 2 7 7 U H5 H 1 5.506 0.00 . . . . . . B 18 U H5 . 30699 1
102 . 2 . 2 7 7 U H6 H 1 7.899 0.00 . . . . . . B 18 U H6 . 30699 1
103 . 2 . 2 8 8 C H1' H 1 5.654 0.00 . . . . . . B 19 C H1' . 30699 1
104 . 2 . 2 8 8 C H2' H 1 4.550 0.00 . . . . . . B 19 C H2' . 30699 1
105 . 2 . 2 8 8 C H3' H 1 4.559 0.00 . . . . . . B 19 C H3' . 30699 1
106 . 2 . 2 8 8 C H5 H 1 5.629 0.00 . . . . . . B 19 C H5 . 30699 1
107 . 2 . 2 8 8 C H6 H 1 8.014 0.00 . . . . . . B 19 C H6 . 30699 1
108 . 2 . 2 9 9 G H1' H 1 5.661 0.00 . . . . . . B 20 G H1' . 30699 1
109 . 2 . 2 9 9 G H2' H 1 4.542 0.00 . . . . . . B 20 G H2' . 30699 1
110 . 2 . 2 9 9 G H3' H 1 4.499 0.00 . . . . . . B 20 G H3' . 30699 1
111 . 2 . 2 9 9 G H4' H 1 4.446 0.00 . . . . . . B 20 G H4' . 30699 1
112 . 2 . 2 9 9 G H5' H 1 4.132 0.00 . . . . . . B 20 G H5' . 30699 1
113 . 2 . 2 9 9 G H8 H 1 7.492 0.00 . . . . . . B 20 G H8 . 30699 1
114 . 2 . 2 10 10 G H1' H 1 5.854 0.00 . . . . . . B 21 G H1' . 30699 1
115 . 2 . 2 10 10 G H2' H 1 4.041 0.00 . . . . . . B 21 G H2' . 30699 1
116 . 2 . 2 10 10 G H3' H 1 4.240 0.00 . . . . . . B 21 G H3' . 30699 1
117 . 2 . 2 10 10 G H8 H 1 7.373 0.00 . . . . . . B 21 G H8 . 30699 1
118 . 3 . 3 1 1 MQC H18 H 1 3.830 0.00 . . . . . . A 101 MQC H18 . 30699 1
119 . 3 . 3 1 1 MQC H19 H 1 3.830 0.00 . . . . . . A 101 MQC H19 . 30699 1
120 . 3 . 3 1 1 MQC H20 H 1 3.830 0.00 . . . . . . A 101 MQC H20 . 30699 1
121 . 3 . 3 1 1 MQC H15 H 1 2.483 0.00 . . . . . . A 101 MQC H15 . 30699 1
122 . 3 . 3 1 1 MQC H16 H 1 2.483 0.00 . . . . . . A 101 MQC H16 . 30699 1
123 . 3 . 3 1 1 MQC H17 H 1 2.483 0.00 . . . . . . A 101 MQC H17 . 30699 1
124 . 3 . 3 1 1 MQC H1 H 1 8.726 0.00 . . . . . . A 101 MQC H1 . 30699 1
125 . 3 . 3 1 1 MQC H2 H 1 8.055 0.00 . . . . . . A 101 MQC H2 . 30699 1
126 . 3 . 3 1 1 MQC H3 H 1 7.761 0.00 . . . . . . A 101 MQC H3 . 30699 1
127 . 3 . 3 1 1 MQC H4 H 1 6.752 0.00 . . . . . . A 101 MQC H4 . 30699 1
128 . 3 . 3 1 1 MQC H5 H 1 6.919 0.00 . . . . . . A 101 MQC H5 . 30699 1
129 . 3 . 3 1 1 MQC H6 H 1 6.919 0.00 . . . . . . A 101 MQC H6 . 30699 1
130 . 3 . 3 1 1 MQC H7 H 1 7.403 0.00 . . . . . . A 101 MQC H7 . 30699 1
131 . 3 . 3 1 1 MQC H8 H 1 6.919 0.00 . . . . . . A 101 MQC H8 . 30699 1
stop_
save_
###################################
# 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_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 30699
_Assigned_chem_shift_list.ID 2
_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 'D2O 2D 1H-1H NOESY' . . . 30699 2
2 'H2O 2D 1H-1H NOESY' . . . 30699 2
3 'D2O 2D DQF-COSY' . . . 30699 2
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 C H41 H 1 8.205 . . . . . . . A 1 C H41 . 30699 2
2 . 1 . 1 1 1 C H42 H 1 7.217 . . . . . . . A 1 C H42 . 30699 2
3 . 1 . 1 2 2 C H41 H 1 8.444 . . . . . . . A 2 C H41 . 30699 2
4 . 1 . 1 2 2 C H42 H 1 6.946 . . . . . . . A 2 C H42 . 30699 2
5 . 1 . 1 3 3 G H1 H 1 12.48 . . . . . . . A 3 G H1 . 30699 2
6 . 1 . 1 4 4 G H1 H 1 11.52 . . . . . . . A 4 G H1 . 30699 2
7 . 1 . 1 5 5 C H41 H 1 8.359 . . . . . . . A 5 C H41 . 30699 2
8 . 1 . 1 5 5 C H42 H 1 6.798 . . . . . . . A 5 C H42 . 30699 2
9 . 1 . 1 7 7 G H1 H 1 12.75 . . . . . . . A 7 G H1 . 30699 2
10 . 1 . 1 8 8 U H3 H 1 13.70 . . . . . . . A 8 U H3 . 30699 2
11 . 1 . 1 9 9 G H1 H 1 12.57 . . . . . . . A 9 G H1 . 30699 2
12 . 1 . 1 10 10 U H3 H 1 14.04 . . . . . . . A 10 U H3 . 30699 2
13 . 2 . 2 3 3 C H41 H 1 8.263 . . . . . . . B 14 C H41 . 30699 2
14 . 2 . 2 3 3 C H42 H 1 6.861 . . . . . . . B 14 C H42 . 30699 2
15 . 2 . 2 5 5 C H41 H 1 8.059 . . . . . . . B 16 C H41 . 30699 2
16 . 2 . 2 5 5 C H42 H 1 6.846 . . . . . . . B 16 C H42 . 30699 2
17 . 2 . 2 6 6 G H1 H 1 13.00 . . . . . . . B 17 G H1 . 30699 2
18 . 2 . 2 7 7 U H3 H 1 12.15 . . . . . . . B 18 U H3 . 30699 2
19 . 2 . 2 8 8 C H41 H 1 8.360 . . . . . . . B 19 C H41 . 30699 2
20 . 2 . 2 8 8 C H42 H 1 6.689 . . . . . . . B 19 C H42 . 30699 2
21 . 2 . 2 9 9 G H1 H 1 12.71 . . . . . . . B 20 G H1 . 30699 2
22 . 2 . 2 10 10 G H1 H 1 13.37 . . . . . . . B 21 G H1 . 30699 2
stop_
save_