Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
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 34553
_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 NOESY' . . . 34553 1
2 '2D 1H-1H TOCSY' . . . 34553 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 5.669 0.002 . 1 . . . . A 1 G H1' . 34553 1
2 . 1 . 1 1 1 G H8 H 1 8.013 0.001 . 1 . . . . A 1 G H8 . 34553 1
3 . 1 . 1 2 2 C H1' H 1 5.585 0.001 . 1 . . . . A 2 C H1' . 34553 1
4 . 1 . 1 2 2 C H5 H 1 5.263 0.000 . 1 . . . . A 2 C H5 . 34553 1
5 . 1 . 1 2 2 C H6 H 1 7.816 0.001 . 1 . . . . A 2 C H6 . 34553 1
6 . 1 . 1 2 2 C H41 H 1 8.470 0.000 . 1 . . . . A 2 C H41 . 34553 1
7 . 1 . 1 2 2 C H42 H 1 6.715 0.000 . 1 . . . . A 2 C H42 . 34553 1
8 . 1 . 1 3 3 A H1' H 1 5.936 0.001 . 1 . . . . A 3 A H1' . 34553 1
9 . 1 . 1 3 3 A H2 H 1 7.027 0.001 . 1 . . . . A 3 A H2 . 34553 1
10 . 1 . 1 3 3 A H8 H 1 7.991 0.000 . 1 . . . . A 3 A H8 . 34553 1
11 . 1 . 1 4 4 G H1 H 1 13.252 0.000 . 1 . . . . A 4 G H1 . 34553 1
12 . 1 . 1 4 4 G H1' H 1 5.438 0.000 . 1 . . . . A 4 G H1' . 34553 1
13 . 1 . 1 4 4 G H8 H 1 7.053 0.000 . 1 . . . . A 4 G H8 . 34553 1
14 . 1 . 1 5 5 C H1' H 1 5.382 0.012 . 1 . . . . A 5 C H1' . 34553 1
15 . 1 . 1 5 5 C H5 H 1 5.017 0.001 . 1 . . . . A 5 C H5 . 34553 1
16 . 1 . 1 5 5 C H6 H 1 7.537 0.001 . 1 . . . . A 5 C H6 . 34553 1
17 . 1 . 1 5 5 C H41 H 1 8.226 0.001 . 1 . . . . A 5 C H41 . 34553 1
18 . 1 . 1 5 5 C H42 H 1 6.718 0.000 . 1 . . . . A 5 C H42 . 34553 1
19 . 1 . 1 6 6 U H1' H 1 5.639 0.003 . 1 . . . . A 6 U H1' . 34553 1
20 . 1 . 1 6 6 U H3 H 1 13.479 0.000 . 1 . . . . A 6 U H3 . 34553 1
21 . 1 . 1 6 6 U H5 H 1 5.359 0.000 . 1 . . . . A 6 U H5 . 34553 1
22 . 1 . 1 6 6 U H6 H 1 7.601 0.000 . 1 . . . . A 6 U H6 . 34553 1
23 . 1 . 1 7 7 C H1' H 1 6.281 0.001 . 1 . . . . A 7 C H1' . 34553 1
24 . 1 . 1 7 7 C H2' H 1 4.480 0.001 . 1 . . . . A 7 C H2' . 34553 1
25 . 1 . 1 7 7 C H5 H 1 6.321 0.001 . 1 . . . . A 7 C H5 . 34553 1
26 . 1 . 1 7 7 C H6 H 1 7.973 0.000 . 1 . . . . A 7 C H6 . 34553 1
27 . 1 . 1 7 7 C H41 H 1 7.882 0.001 . 1 . . . . A 7 C H41 . 34553 1
28 . 1 . 1 7 7 C H42 H 1 6.863 0.005 . 1 . . . . A 7 C H42 . 34553 1
29 . 1 . 1 8 8 G H1 H 1 10.268 0.000 . 1 . . . . A 8 G H1 . 34553 1
30 . 1 . 1 8 8 G H1' H 1 6.075 0.000 . 1 . . . . A 8 G H1' . 34553 1
31 . 1 . 1 8 8 G H8 H 1 7.822 0.000 . 1 . . . . A 8 G H8 . 34553 1
32 . 1 . 1 9 9 U H1' H 1 5.494 0.003 . 1 . . . . A 9 U H1' . 34553 1
33 . 1 . 1 9 9 U H3 H 1 14.089 0.000 . 1 . . . . A 9 U H3 . 34553 1
34 . 1 . 1 9 9 U H5 H 1 5.219 0.000 . 1 . . . . A 9 U H5 . 34553 1
35 . 1 . 1 9 9 U H6 H 1 7.810 0.001 . 1 . . . . A 9 U H6 . 34553 1
36 . 1 . 1 10 10 C H1' H 1 5.530 0.001 . 1 . . . . A 10 C H1' . 34553 1
37 . 1 . 1 10 10 C H5 H 1 5.570 0.001 . 1 . . . . A 10 C H5 . 34553 1
38 . 1 . 1 10 10 C H6 H 1 7.860 0.001 . 1 . . . . A 10 C H6 . 34553 1
39 . 1 . 1 10 10 C H41 H 1 8.173 0.000 . 1 . . . . A 10 C H41 . 34553 1
40 . 1 . 1 10 10 C H42 H 1 6.860 0.000 . 1 . . . . A 10 C H42 . 34553 1
41 . 1 . 1 11 11 C H1' H 1 5.419 0.005 . 1 . . . . A 11 C H1' . 34553 1
42 . 1 . 1 11 11 C H5 H 1 5.439 0.002 . 1 . . . . A 11 C H5 . 34553 1
43 . 1 . 1 11 11 C H6 H 1 7.734 0.001 . 1 . . . . A 11 C H6 . 34553 1
44 . 1 . 1 11 11 C H41 H 1 8.318 0.000 . 1 . . . . A 11 C H41 . 34553 1
45 . 1 . 1 11 11 C H42 H 1 6.806 0.001 . 1 . . . . A 11 C H42 . 34553 1
46 . 1 . 1 12 12 U H1' H 1 5.479 0.001 . 1 . . . . A 12 U H1' . 34553 1
47 . 1 . 1 12 12 U H3 H 1 13.721 0.000 . 1 . . . . A 12 U H3 . 34553 1
48 . 1 . 1 12 12 U H5 H 1 5.375 0.001 . 1 . . . . A 12 U H5 . 34553 1
49 . 1 . 1 12 12 U H6 H 1 7.779 0.002 . 1 . . . . A 12 U H6 . 34553 1
50 . 1 . 1 13 13 G H1' H 1 5.835 0.001 . 1 . . . . A 13 G H1' . 34553 1
51 . 1 . 1 13 13 G H8 H 1 7.694 0.002 . 1 . . . . A 13 G H8 . 34553 1
52 . 2 . 2 1 1 C H1' H 1 5.493 0.001 . 1 . . . . B 14 C H1' . 34553 1
53 . 2 . 2 1 1 C H5 H 1 5.976 0.001 . 1 . . . . B 14 C H5 . 34553 1
54 . 2 . 2 1 1 C H6 H 1 8.072 0.000 . 1 . . . . B 14 C H6 . 34553 1
55 . 2 . 2 1 1 C H41 H 1 8.181 0.001 . 1 . . . . B 14 C H41 . 34553 1
56 . 2 . 2 1 1 C H42 H 1 7.068 0.001 . 1 . . . . B 14 C H42 . 34553 1
57 . 2 . 2 2 2 A H1' H 1 5.979 0.002 . 1 . . . . B 15 A H1' . 34553 1
58 . 2 . 2 2 2 A H2 H 1 7.211 0.001 . 1 . . . . B 15 A H2 . 34553 1
59 . 2 . 2 2 2 A H8 H 1 8.192 0.001 . 1 . . . . B 15 A H8 . 34553 1
60 . 2 . 2 3 3 G H1 H 1 12.692 0.000 . 1 . . . . B 16 G H1 . 34553 1
61 . 2 . 2 3 3 G H1' H 1 5.600 0.003 . 1 . . . . B 16 G H1' . 34553 1
62 . 2 . 2 3 3 G H8 H 1 7.169 0.000 . 1 . . . . B 16 G H8 . 34553 1
63 . 2 . 2 4 4 G H1 H 1 12.206 0.001 . 1 . . . . B 17 G H1 . 34553 1
64 . 2 . 2 4 4 G H1' H 1 5.634 0.004 . 1 . . . . B 17 G H1' . 34553 1
65 . 2 . 2 4 4 G H8 H 1 7.052 0.000 . 1 . . . . B 17 G H8 . 34553 1
66 . 2 . 2 5 5 A H1' H 1 5.876 0.000 . 1 . . . . B 18 A H1' . 34553 1
67 . 2 . 2 5 5 A H2 H 1 7.642 0.001 . 1 . . . . B 18 A H2 . 34553 1
68 . 2 . 2 5 5 A H8 H 1 7.429 0.000 . 1 . . . . B 18 A H8 . 34553 1
69 . 2 . 2 6 6 U H1' H 1 5.155 0.001 . 1 . . . . B 19 U H1' . 34553 1
70 . 2 . 2 6 6 U H3 H 1 10.869 0.000 . 1 . . . . B 19 U H3 . 34553 1
71 . 2 . 2 6 6 U H5 H 1 4.987 0.002 . 1 . . . . B 19 U H5 . 34553 1
72 . 2 . 2 6 6 U H6 H 1 7.043 0.000 . 1 . . . . B 19 U H6 . 34553 1
73 . 2 . 2 7 7 A H1' H 1 5.578 0.002 . 1 . . . . B 20 A H1' . 34553 1
74 . 2 . 2 7 7 A H2 H 1 6.999 0.000 . 1 . . . . B 20 A H2 . 34553 1
75 . 2 . 2 7 7 A H2' H 1 4.934 0.000 . 1 . . . . B 20 A H2' . 34553 1
76 . 2 . 2 7 7 A H8 H 1 7.734 0.001 . 1 . . . . B 20 A H8 . 34553 1
77 . 2 . 2 7 7 A H61 H 1 7.241 0.001 . 1 . . . . B 20 A H61 . 34553 1
78 . 2 . 2 7 7 A H62 H 1 6.196 0.002 . 1 . . . . B 20 A H62 . 34553 1
79 . 2 . 2 8 8 G H1 H 1 13.158 0.001 . 1 . . . . B 21 G H1 . 34553 1
80 . 2 . 2 8 8 G H1' H 1 5.781 0.001 . 1 . . . . B 21 G H1' . 34553 1
81 . 2 . 2 8 8 G H8 H 1 7.551 0.001 . 1 . . . . B 21 G H8 . 34553 1
82 . 2 . 2 9 9 C H1' H 1 5.416 0.000 . 1 . . . . B 22 C H1' . 34553 1
83 . 2 . 2 9 9 C H5 H 1 5.021 0.001 . 1 . . . . B 22 C H5 . 34553 1
84 . 2 . 2 9 9 C H6 H 1 7.549 0.001 . 1 . . . . B 22 C H6 . 34553 1
85 . 2 . 2 9 9 C H41 H 1 8.163 0.001 . 1 . . . . B 22 C H41 . 34553 1
86 . 2 . 2 9 9 C H42 H 1 6.470 0.001 . 1 . . . . B 22 C H42 . 34553 1
87 . 2 . 2 10 10 U H1' H 1 5.488 0.001 . 1 . . . . B 23 U H1' . 34553 1
88 . 2 . 2 10 10 U H3 H 1 13.300 0.000 . 1 . . . . B 23 U H3 . 34553 1
89 . 2 . 2 10 10 U H5 H 1 5.274 0.001 . 1 . . . . B 23 U H5 . 34553 1
90 . 2 . 2 10 10 U H6 H 1 7.732 0.000 . 1 . . . . B 23 U H6 . 34553 1
91 . 2 . 2 11 11 G H1 H 1 12.578 0.000 . 1 . . . . B 24 G H1 . 34553 1
92 . 2 . 2 11 11 G H1' H 1 5.773 0.002 . 1 . . . . B 24 G H1' . 34553 1
93 . 2 . 2 11 11 G H8 H 1 7.695 0.000 . 1 . . . . B 24 G H8 . 34553 1
94 . 2 . 2 12 12 C H1' H 1 5.653 0.000 . 1 . . . . B 25 C H1' . 34553 1
95 . 2 . 2 12 12 C H5 H 1 5.211 0.001 . 1 . . . . B 25 C H5 . 34553 1
96 . 2 . 2 12 12 C H6 H 1 7.464 0.000 . 1 . . . . B 25 C H6 . 34553 1
97 . 2 . 2 12 12 C H41 H 1 8.254 0.000 . 1 . . . . B 25 C H41 . 34553 1
98 . 2 . 2 12 12 C H42 H 1 6.831 0.001 . 1 . . . . B 25 C H42 . 34553 1
99 . 3 . 3 1 1 BER H101 H 1 2.371 0.001 . 1 . . . . C 101 BER H101 . 34553 1
100 . 3 . 3 1 1 BER H102 H 1 2.852 0.000 . 1 . . . . C 101 BER H102 . 34553 1
101 . 3 . 3 1 1 BER H131 H 1 7.025 0.002 . 1 . . . . C 101 BER H131 . 34553 1
102 . 3 . 3 1 1 BER H161 H 1 7.703 0.000 . 1 . . . . C 101 BER H161 . 34553 1
103 . 3 . 3 1 1 BER H171 H 1 6.161 0.000 . 1 . . . . C 101 BER H171 . 34553 1
104 . 3 . 3 1 1 BER H172 H 1 5.935 0.000 . 1 . . . . C 101 BER H172 . 34553 1
105 . 3 . 3 1 1 BER H191 H 1 4.040 0.000 . 2 . . . . C 101 BER H191 . 34553 1
106 . 3 . 3 1 1 BER H192 H 1 4.040 0.000 . 2 . . . . C 101 BER H192 . 34553 1
107 . 3 . 3 1 1 BER H193 H 1 4.040 0.000 . 2 . . . . C 101 BER H193 . 34553 1
108 . 3 . 3 1 1 BER H201 H 1 3.911 0.000 . 2 . . . . C 101 BER H201 . 34553 1
109 . 3 . 3 1 1 BER H202 H 1 3.911 0.000 . 2 . . . . C 101 BER H202 . 34553 1
110 . 3 . 3 1 1 BER H203 H 1 3.911 0.000 . 2 . . . . C 101 BER H203 . 34553 1
111 . 3 . 3 1 1 BER H31 H 1 7.439 0.000 . 1 . . . . C 101 BER H31 . 34553 1
112 . 3 . 3 1 1 BER H51 H 1 6.623 0.001 . 1 . . . . C 101 BER H51 . 34553 1
113 . 3 . 3 1 1 BER H61 H 1 9.414 0.000 . 1 . . . . C 101 BER H61 . 34553 1
114 . 3 . 3 1 1 BER H71 H 1 4.350 0.000 . 1 . . . . C 101 BER H71 . 34553 1
115 . 3 . 3 1 1 BER H72 H 1 4.752 0.000 . 1 . . . . C 101 BER H72 . 34553 1
116 . 3 . 3 1 1 BER H91 H 1 6.074 0.000 . 1 . . . . C 101 BER H91 . 34553 1
stop_
save_