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 30723
_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' . . . 30723 1
2 '2D 1H-1H NOESY' . . . 30723 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 8NK H9 H 1 4.4594 0.0080 . 1 . . . . A 0 8NK H9 . 30723 1
2 . 1 . 1 1 1 8NK H11 H 1 5.9156 0.0000 . 1 . . . . A 0 8NK H11 . 30723 1
3 . 1 . 1 1 1 8NK H12 H 1 9.0606 0.0095 . 1 . . . . A 0 8NK H12 . 30723 1
4 . 1 . 1 1 1 8NK H13 H 1 4.1155 0.0000 . 1 . . . . A 0 8NK H13 . 30723 1
5 . 1 . 1 2 2 G H1' H 1 5.5184 0.0047 . 1 . . . . A 1 G H1' . 30723 1
6 . 1 . 1 2 2 G H2' H 1 4.7222 0.0141 . 1 . . . . A 1 G H2' . 30723 1
7 . 1 . 1 2 2 G H3' H 1 4.5285 0.0141 . 1 . . . . A 1 G H3' . 30723 1
8 . 1 . 1 2 2 G H8 H 1 7.5930 0.0000 . 1 . . . . A 1 G H8 . 30723 1
9 . 1 . 1 3 3 G H1' H 1 5.7632 0.0094 . 1 . . . . A 2 G H1' . 30723 1
10 . 1 . 1 3 3 G H2' H 1 4.6547 0.0141 . 1 . . . . A 2 G H2' . 30723 1
11 . 1 . 1 3 3 G H3' H 1 4.4593 0.0141 . 1 . . . . A 2 G H3' . 30723 1
12 . 1 . 1 3 3 G H8 H 1 7.2767 0.0094 . 1 . . . . A 2 G H8 . 30723 1
13 . 1 . 1 4 4 G H1' H 1 5.7188 0.0094 . 1 . . . . A 3 G H1' . 30723 1
14 . 1 . 1 4 4 G H2' H 1 4.4634 0.0092 . 1 . . . . A 3 G H2' . 30723 1
15 . 1 . 1 4 4 G H3' H 1 4.3666 0.0141 . 1 . . . . A 3 G H3' . 30723 1
16 . 1 . 1 4 4 G H8 H 1 7.1084 0.0073 . 1 . . . . A 3 G H8 . 30723 1
17 . 1 . 1 5 5 U H1' H 1 5.8262 0.0094 . 1 . . . . A 4 U H1' . 30723 1
18 . 1 . 1 5 5 U H2' H 1 4.2836 0.0141 . 1 . . . . A 4 U H2' . 30723 1
19 . 1 . 1 5 5 U H3' H 1 4.4355 0.0141 . 1 . . . . A 4 U H3' . 30723 1
20 . 1 . 1 5 5 U H5 H 1 5.1220 0.0225 . 1 . . . . A 4 U H5 . 30723 1
21 . 1 . 1 5 5 U H6 H 1 7.5815 0.0134 . 1 . . . . A 4 U H6 . 30723 1
22 . 1 . 1 6 6 C H1' H 1 5.9506 0.0076 . 1 . . . . A 5 C H1' . 30723 1
23 . 1 . 1 6 6 C H2' H 1 4.4667 0.0141 . 1 . . . . A 5 C H2' . 30723 1
24 . 1 . 1 6 6 C H3' H 1 4.4063 0.0141 . 1 . . . . A 5 C H3' . 30723 1
25 . 1 . 1 6 6 C H5 H 1 5.9774 0.0150 . 1 . . . . A 5 C H5 . 30723 1
26 . 1 . 1 6 6 C H6 H 1 7.8944 0.0120 . 1 . . . . A 5 C H6 . 30723 1
27 . 1 . 1 7 7 U H1' H 1 5.6570 0.0094 . 1 . . . . A 6 U H1' . 30723 1
28 . 1 . 1 7 7 U H2' H 1 4.4267 0.0141 . 1 . . . . A 6 U H2' . 30723 1
29 . 1 . 1 7 7 U H3' H 1 4.4406 0.0141 . 1 . . . . A 6 U H3' . 30723 1
30 . 1 . 1 7 7 U H5 H 1 5.6800 0.0150 . 1 . . . . A 6 U H5 . 30723 1
31 . 1 . 1 7 7 U H6 H 1 7.8726 0.0225 . 1 . . . . A 6 U H6 . 30723 1
32 . 1 . 1 8 8 C H1' H 1 5.9573 0.0094 . 1 . . . . A 7 C H1' . 30723 1
33 . 1 . 1 8 8 C H2' H 1 4.2874 0.0141 . 1 . . . . A 7 C H2' . 30723 1
34 . 1 . 1 8 8 C H3' H 1 4.4554 0.0141 . 1 . . . . A 7 C H3' . 30723 1
35 . 1 . 1 8 8 C H5 H 1 5.7726 0.0131 . 1 . . . . A 7 C H5 . 30723 1
36 . 1 . 1 8 8 C H6 H 1 7.7453 0.0137 . 1 . . . . A 7 C H6 . 30723 1
37 . 1 . 1 9 9 U H1' H 1 5.5337 0.0094 . 1 . . . . A 8 U H1' . 30723 1
38 . 1 . 1 9 9 U H2' H 1 4.4955 0.0141 . 1 . . . . A 8 U H2' . 30723 1
39 . 1 . 1 9 9 U H3' H 1 4.4383 0.0141 . 1 . . . . A 8 U H3' . 30723 1
40 . 1 . 1 9 9 U H5 H 1 5.8985 0.0105 . 1 . . . . A 8 U H5 . 30723 1
41 . 1 . 1 9 9 U H6 H 1 7.8719 0.0225 . 1 . . . . A 8 U H6 . 30723 1
42 . 1 . 1 10 10 C H1' H 1 5.5347 0.0094 . 1 . . . . A 9 C H1' . 30723 1
43 . 1 . 1 10 10 C H2' H 1 4.4899 0.0141 . 1 . . . . A 9 C H2' . 30723 1
44 . 1 . 1 10 10 C H3' H 1 4.5227 0.0141 . 1 . . . . A 9 C H3' . 30723 1
45 . 1 . 1 10 10 C H5 H 1 5.6956 0.0225 . 1 . . . . A 9 C H5 . 30723 1
46 . 1 . 1 10 10 C H6 H 1 7.7397 0.0150 . 1 . . . . A 9 C H6 . 30723 1
47 . 1 . 1 11 11 U H1' H 1 5.5598 0.0094 . 1 . . . . A 10 U H1' . 30723 1
48 . 1 . 1 11 11 U H2' H 1 4.5293 0.0141 . 1 . . . . A 10 U H2' . 30723 1
49 . 1 . 1 11 11 U H3' H 1 4.5555 0.0141 . 1 . . . . A 10 U H3' . 30723 1
50 . 1 . 1 11 11 U H5 H 1 5.4182 0.0146 . 1 . . . . A 10 U H5 . 30723 1
51 . 1 . 1 11 11 U H6 H 1 7.9383 0.0132 . 1 . . . . A 10 U H6 . 30723 1
52 . 1 . 1 12 12 U H1' H 1 5.6285 0.0094 . 1 . . . . A 11 U H1' . 30723 1
53 . 1 . 1 12 12 U H2' H 1 4.6055 0.0197 . 1 . . . . A 11 U H2' . 30723 1
54 . 1 . 1 12 12 U H3' H 1 4.6086 0.0141 . 1 . . . . A 11 U H3' . 30723 1
55 . 1 . 1 12 12 U H5 H 1 5.5863 0.0225 . 1 . . . . A 11 U H5 . 30723 1
56 . 1 . 1 12 12 U H6 H 1 7.9419 0.0150 . 1 . . . . A 11 U H6 . 30723 1
57 . 1 . 1 13 13 G H1' H 1 5.7429 0.0049 . 1 . . . . A 12 G H1' . 30723 1
58 . 1 . 1 13 13 G H2' H 1 4.5449 0.0119 . 1 . . . . A 12 G H2' . 30723 1
59 . 1 . 1 13 13 G H3' H 1 4.4674 0.0141 . 1 . . . . A 12 G H3' . 30723 1
60 . 1 . 1 13 13 G H8 H 1 7.6809 0.0141 . 1 . . . . A 12 G H8 . 30723 1
61 . 1 . 1 14 14 U H1' H 1 5.4043 0.0094 . 1 . . . . A 13 U H1' . 30723 1
62 . 1 . 1 14 14 U H2' H 1 4.5201 0.0084 . 1 . . . . A 13 U H2' . 30723 1
63 . 1 . 1 14 14 U H3' H 1 4.4615 0.0141 . 1 . . . . A 13 U H3' . 30723 1
64 . 1 . 1 14 14 U H5 H 1 5.3953 0.0225 . 1 . . . . A 13 U H5 . 30723 1
65 . 1 . 1 14 14 U H6 H 1 7.7381 0.0150 . 1 . . . . A 13 U H6 . 30723 1
66 . 1 . 1 15 15 C H1' H 1 5.5321 0.0141 . 1 . . . . A 14 C H1' . 30723 1
67 . 1 . 1 15 15 C H2' H 1 4.4150 0.0141 . 1 . . . . A 14 C H2' . 30723 1
68 . 1 . 1 15 15 C H3' H 1 4.4660 0.0141 . 1 . . . . A 14 C H3' . 30723 1
69 . 1 . 1 15 15 C H5 H 1 5.5044 0.0225 . 1 . . . . A 14 C H5 . 30723 1
70 . 1 . 1 15 15 C H6 H 1 7.7462 0.0150 . 1 . . . . A 14 C H6 . 30723 1
71 . 1 . 1 16 16 G H1' H 1 5.5883 0.0094 . 1 . . . . A 15 G H1' . 30723 1
72 . 1 . 1 16 16 G H2' H 1 4.3735 0.0141 . 1 . . . . A 15 G H2' . 30723 1
73 . 1 . 1 16 16 G H3' H 1 4.5160 0.0141 . 1 . . . . A 15 G H3' . 30723 1
74 . 1 . 1 16 16 G H8 H 1 7.4664 0.0094 . 1 . . . . A 15 G H8 . 30723 1
75 . 1 . 1 17 17 A H1' H 1 5.7091 0.0094 . 1 . . . . A 16 A H1' . 30723 1
76 . 1 . 1 17 17 A H2 H 1 7.9538 0.0061 . 1 . . . . A 16 A H2 . 30723 1
77 . 1 . 1 17 17 A H2' H 1 4.5823 0.0141 . 1 . . . . A 16 A H2' . 30723 1
78 . 1 . 1 17 17 A H3' H 1 4.4167 0.0141 . 1 . . . . A 16 A H3' . 30723 1
79 . 1 . 1 17 17 A H8 H 1 8.1924 0.0063 . 1 . . . . A 16 A H8 . 30723 1
80 . 1 . 1 18 18 G H1' H 1 5.3014 0.0094 . 1 . . . . A 17 G H1' . 30723 1
81 . 1 . 1 18 18 G H2' H 1 4.3014 0.0141 . 1 . . . . A 17 G H2' . 30723 1
82 . 1 . 1 18 18 G H3' H 1 4.5439 0.0141 . 1 . . . . A 17 G H3' . 30723 1
83 . 1 . 1 18 18 G H8 H 1 7.6326 0.0065 . 1 . . . . A 17 G H8 . 30723 1
84 . 1 . 1 19 19 A H1' H 1 6.0959 0.0094 . 1 . . . . A 18 A H1' . 30723 1
85 . 1 . 1 19 19 A H2 H 1 8.1458 0.0047 . 1 . . . . A 18 A H2 . 30723 1
86 . 1 . 1 19 19 A H2' H 1 4.6486 0.0141 . 1 . . . . A 18 A H2' . 30723 1
87 . 1 . 1 19 19 A H3' H 1 5.0643 0.0141 . 1 . . . . A 18 A H3' . 30723 1
88 . 1 . 1 19 19 A H8 H 1 8.1839 0.0077 . 1 . . . . A 18 A H8 . 30723 1
89 . 1 . 1 20 20 G H1' H 1 4.5383 0.0141 . 1 . . . . A 19 G H1' . 30723 1
90 . 1 . 1 20 20 G H2' H 1 4.4188 0.0141 . 1 . . . . A 19 G H2' . 30723 1
91 . 1 . 1 20 20 G H3' H 1 4.2451 0.0141 . 1 . . . . A 19 G H3' . 30723 1
92 . 1 . 1 20 20 G H8 H 1 7.9331 0.0094 . 1 . . . . A 19 G H8 . 30723 1
93 . 1 . 1 21 21 G H1' H 1 5.7415 0.0094 . 1 . . . . A 47 G H1' . 30723 1
94 . 1 . 1 21 21 G H2' H 1 4.5983 0.0141 . 1 . . . . A 47 G H2' . 30723 1
95 . 1 . 1 21 21 G H3' H 1 4.3129 0.0141 . 1 . . . . A 47 G H3' . 30723 1
96 . 1 . 1 21 21 G H8 H 1 7.2009 0.0094 . 1 . . . . A 47 G H8 . 30723 1
97 . 1 . 1 22 22 C H1' H 1 5.4373 0.0094 . 1 . . . . A 48 C H1' . 30723 1
98 . 1 . 1 22 22 C H2' H 1 4.4114 0.0141 . 1 . . . . A 48 C H2' . 30723 1
99 . 1 . 1 22 22 C H3' H 1 4.4680 0.0141 . 1 . . . . A 48 C H3' . 30723 1
100 . 1 . 1 22 22 C H5 H 1 5.3190 0.0225 . 1 . . . . A 48 C H5 . 30723 1
101 . 1 . 1 22 22 C H6 H 1 7.5866 0.0150 . 1 . . . . A 48 C H6 . 30723 1
102 . 1 . 1 23 23 A H1' H 1 5.8498 0.0094 . 1 . . . . A 49 A H1' . 30723 1
103 . 1 . 1 23 23 A H2 H 1 6.6653 0.0047 . 1 . . . . A 49 A H2 . 30723 1
104 . 1 . 1 23 23 A H2' H 1 4.5628 0.0141 . 1 . . . . A 49 A H2' . 30723 1
105 . 1 . 1 23 23 A H3' H 1 4.6540 0.0141 . 1 . . . . A 49 A H3' . 30723 1
106 . 1 . 1 23 23 A H8 H 1 7.8496 0.0094 . 1 . . . . A 49 A H8 . 30723 1
107 . 1 . 1 24 24 A H1' H 1 5.8322 0.0094 . 1 . . . . A 50 A H1' . 30723 1
108 . 1 . 1 24 24 A H2 H 1 7.4480 0.0078 . 1 . . . . A 50 A H2 . 30723 1
109 . 1 . 1 24 24 A H2' H 1 4.5937 0.0141 . 1 . . . . A 50 A H2' . 30723 1
110 . 1 . 1 24 24 A H3' H 1 4.5204 0.0141 . 1 . . . . A 50 A H3' . 30723 1
111 . 1 . 1 24 24 A H8 H 1 7.6339 0.0141 . 1 . . . . A 50 A H8 . 30723 1
112 . 1 . 1 25 25 G H1' H 1 5.4411 0.0094 . 1 . . . . A 51 G H1' . 30723 1
113 . 1 . 1 25 25 G H2' H 1 4.5300 0.0141 . 1 . . . . A 51 G H2' . 30723 1
114 . 1 . 1 25 25 G H3' H 1 4.2821 0.0141 . 1 . . . . A 51 G H3' . 30723 1
115 . 1 . 1 25 25 G H8 H 1 6.8373 0.0094 . 1 . . . . A 51 G H8 . 30723 1
116 . 1 . 1 26 26 G H1' H 1 5.6627 0.0131 . 1 . . . . A 52 G H1' . 30723 1
117 . 1 . 1 26 26 G H2' H 1 4.5255 0.0141 . 1 . . . . A 52 G H2' . 30723 1
118 . 1 . 1 26 26 G H3' H 1 4.6475 0.0141 . 1 . . . . A 52 G H3' . 30723 1
119 . 1 . 1 26 26 G H8 H 1 7.1623 0.0094 . 1 . . . . A 52 G H8 . 30723 1
120 . 1 . 1 27 27 A H1' H 1 5.8902 0.0094 . 1 . . . . A 53 A H1' . 30723 1
121 . 1 . 1 27 27 A H2 H 1 7.5457 0.0070 . 1 . . . . A 53 A H2 . 30723 1
122 . 1 . 1 27 27 A H2' H 1 4.6660 0.0172 . 1 . . . . A 53 A H2' . 30723 1
123 . 1 . 1 27 27 A H3' H 1 4.5826 0.0141 . 1 . . . . A 53 A H3' . 30723 1
124 . 1 . 1 27 27 A H8 H 1 7.6782 0.0094 . 1 . . . . A 53 A H8 . 30723 1
125 . 1 . 1 28 28 A H1' H 1 5.6881 0.0094 . 1 . . . . A 54 A H1' . 30723 1
126 . 1 . 1 28 28 A H2 H 1 7.8056 0.0042 . 1 . . . . A 54 A H2 . 30723 1
127 . 1 . 1 28 28 A H2' H 1 4.4161 0.0141 . 1 . . . . A 54 A H2' . 30723 1
128 . 1 . 1 28 28 A H3' H 1 4.5593 0.0141 . 1 . . . . A 54 A H3' . 30723 1
129 . 1 . 1 28 28 A H8 H 1 7.6975 0.0078 . 1 . . . . A 54 A H8 . 30723 1
130 . 1 . 1 29 29 C H1' H 1 5.3805 0.0081 . 1 . . . . A 55 C H1' . 30723 1
131 . 1 . 1 29 29 C H2' H 1 4.1337 0.0138 . 1 . . . . A 55 C H2' . 30723 1
132 . 1 . 1 29 29 C H3' H 1 4.3664 0.0141 . 1 . . . . A 55 C H3' . 30723 1
133 . 1 . 1 29 29 C H5 H 1 5.2193 0.0225 . 1 . . . . A 55 C H5 . 30723 1
134 . 1 . 1 29 29 C H5'' H 1 4.1106 0.0289 . 2 . . . . A 55 C H5'' . 30723 1
135 . 1 . 1 29 29 C H6 H 1 7.5451 0.0150 . 1 . . . . A 55 C H6 . 30723 1
136 . 1 . 1 30 30 C H1' H 1 5.4572 0.0094 . 1 . . . . A 56 C H1' . 30723 1
137 . 1 . 1 30 30 C H2' H 1 4.3097 0.0141 . 1 . . . . A 56 C H2' . 30723 1
138 . 1 . 1 30 30 C H3' H 1 4.4588 0.0141 . 1 . . . . A 56 C H3' . 30723 1
139 . 1 . 1 30 30 C H5 H 1 5.3722 0.0150 . 1 . . . . A 56 C H5 . 30723 1
140 . 1 . 1 30 30 C H6 H 1 7.7326 0.0150 . 1 . . . . A 56 C H6 . 30723 1
141 . 1 . 1 31 31 C H1' H 1 5.4689 0.0094 . 1 . . . . A 57 C H1' . 30723 1
142 . 1 . 1 31 31 C H2' H 1 4.5702 0.0141 . 1 . . . . A 57 C H2' . 30723 1
143 . 1 . 1 31 31 C H3' H 1 4.4401 0.0141 . 1 . . . . A 57 C H3' . 30723 1
144 . 1 . 1 31 31 C H5 H 1 5.3785 0.0225 . 1 . . . . A 57 C H5 . 30723 1
145 . 1 . 1 31 31 C H6 H 1 7.6200 0.0150 . 1 . . . . A 57 C H6 . 30723 1
146 . 1 . 1 32 32 A H1' H 1 5.8133 0.0094 . 1 . . . . A 58 A H1' . 30723 1
147 . 1 . 1 32 32 A H2 H 1 7.4888 0.0094 . 1 . . . . A 58 A H2 . 30723 1
148 . 1 . 1 32 32 A H2' H 1 4.3800 0.0141 . 1 . . . . A 58 A H2' . 30723 1
149 . 1 . 1 32 32 A H3' H 1 4.4854 0.0141 . 1 . . . . A 58 A H3' . 30723 1
150 . 1 . 1 32 32 A H8 H 1 7.9720 0.0094 . 1 . . . . A 58 A H8 . 30723 1
151 . 1 . 1 33 33 C H1' H 1 5.3243 0.0094 . 1 . . . . A 59 C H1' . 30723 1
152 . 1 . 1 33 33 C H2' H 1 3.9965 0.0141 . 1 . . . . A 59 C H2' . 30723 1
153 . 1 . 1 33 33 C H3' H 1 4.2411 0.0141 . 1 . . . . A 59 C H3' . 30723 1
154 . 1 . 1 33 33 C H5 H 1 5.3183 0.0225 . 1 . . . . A 59 C H5 . 30723 1
155 . 1 . 1 33 33 C H6 H 1 7.3718 0.0150 . 1 . . . . A 59 C H6 . 30723 1
156 . 1 . 1 34 34 U H1' H 1 5.8160 0.0094 . 1 . . . . A 60 U H1' . 30723 1
157 . 1 . 1 34 34 U H2' H 1 4.1818 0.0141 . 1 . . . . A 60 U H2' . 30723 1
158 . 1 . 1 34 34 U H3' H 1 4.0735 0.0141 . 1 . . . . A 60 U H3' . 30723 1
159 . 1 . 1 34 34 U H5 H 1 5.6551 0.0225 . 1 . . . . A 60 U H5 . 30723 1
160 . 1 . 1 34 34 U H6 H 1 7.7182 0.0150 . 1 . . . . A 60 U H6 . 30723 1
stop_
save_