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 52873
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name non-exchangeables
_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 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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-13C HSQC' . . . 52873 1
4 '3D HMQC-NOESY' . . . 52873 1
5 '3D HCCH-TOCSY' . . . 52873 1
6 '3D HCCH-COSY' . . . 52873 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52873 1
2 $software_2 . . 52873 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 9 9 I H1' H 1 5.533 0.000 . 1 . . . . . 9 I H1' . 52873 1
2 . 1 . 1 9 9 I H2 H 1 7.659 0.000 . 1 . . . . . 9 I H2 . 52873 1
3 . 1 . 1 9 9 I H2' H 1 4.212 0.000 . 1 . . . . . 9 I H2' . 52873 1
4 . 1 . 1 9 9 I H3' H 1 4.417 0.000 . 1 . . . . . 9 I H3' . 52873 1
5 . 1 . 1 9 9 I H4' H 1 4.334 0.000 . 1 . . . . . 9 I H4' . 52873 1
6 . 1 . 1 9 9 I H5'1 H 1 4.360 0.000 . 2 . . . . . 9 I H5'1 . 52873 1
7 . 1 . 1 9 9 I H5'2 H 1 3.978 0.000 . 2 . . . . . 9 I H5'2 . 52873 1
8 . 1 . 1 9 9 I H8 H 1 7.531 0.000 . 1 . . . . . 9 I H8 . 52873 1
9 . 1 . 1 9 9 I C1' C 13 89.177 0.000 . 1 . . . . . 9 I C1' . 52873 1
10 . 1 . 1 9 9 I C2 C 13 145.716 0.000 . 1 . . . . . 9 I C2 . 52873 1
11 . 1 . 1 9 9 I C2' C 13 73.540 0.000 . 1 . . . . . 9 I C2' . 52873 1
12 . 1 . 1 9 9 I C3' C 13 71.372 0.000 . 1 . . . . . 9 I C3' . 52873 1
13 . 1 . 1 9 9 I C4' C 13 80.822 0.000 . 1 . . . . . 9 I C4' . 52873 1
14 . 1 . 1 9 9 I C5' C 13 61.820 0.000 . 1 . . . . . 9 I C5' . 52873 1
15 . 1 . 1 9 9 I C8 C 13 136.927 0.000 . 1 . . . . . 9 I C8 . 52873 1
16 . 1 . 1 10 10 I H1' H 1 5.620 0.000 . 1 . . . . . 10 I H1' . 52873 1
17 . 1 . 1 10 10 I H2 H 1 7.833 0.000 . 1 . . . . . 10 I H2 . 52873 1
18 . 1 . 1 10 10 I H2' H 1 4.320 0.000 . 1 . . . . . 10 I H2' . 52873 1
19 . 1 . 1 10 10 I H3' H 1 4.555 0.000 . 1 . . . . . 10 I H3' . 52873 1
20 . 1 . 1 10 10 I H4' H 1 4.311 0.000 . 1 . . . . . 10 I H4' . 52873 1
21 . 1 . 1 10 10 I H8 H 1 7.808 0.000 . 1 . . . . . 10 I H8 . 52873 1
22 . 1 . 1 10 10 I C1' C 13 87.859 0.000 . 1 . . . . . 10 I C1' . 52873 1
23 . 1 . 1 10 10 I C2 C 13 146.144 0.000 . 1 . . . . . 10 I C2 . 52873 1
24 . 1 . 1 10 10 I C2' C 13 73.844 0.000 . 1 . . . . . 10 I C2' . 52873 1
25 . 1 . 1 10 10 I C3' C 13 73.279 0.000 . 1 . . . . . 10 I C3' . 52873 1
26 . 1 . 1 10 10 I C4' C 13 81.980 0.000 . 1 . . . . . 10 I C4' . 52873 1
27 . 1 . 1 10 10 I C8 C 13 137.923 0.000 . 1 . . . . . 10 I C8 . 52873 1
28 . 1 . 1 11 11 U H1' H 1 5.884 0.000 . 1 . . . . . 11 U H1' . 52873 1
29 . 1 . 1 11 11 U H2' H 1 4.378 0.000 . 1 . . . . . 11 U H2' . 52873 1
30 . 1 . 1 11 11 U H3' H 1 4.590 0.000 . 1 . . . . . 11 U H3' . 52873 1
31 . 1 . 1 11 11 U H4' H 1 4.506 0.000 . 1 . . . . . 11 U H4' . 52873 1
32 . 1 . 1 11 11 U H5' H 1 4.109 0.000 . 2 . . . . . 11 U H5' . 52873 1
33 . 1 . 1 11 11 U H5'' H 1 4.210 0.000 . 2 . . . . . 11 U H5'' . 52873 1
34 . 1 . 1 11 11 U H6 H 1 7.675 0.000 . 1 . . . . . 11 U H6 . 52873 1
35 . 1 . 1 11 11 U C1' C 13 87.748 0.000 . 1 . . . . . 11 U C1' . 52873 1
36 . 1 . 1 11 11 U C2' C 13 72.889 0.000 . 1 . . . . . 11 U C2' . 52873 1
37 . 1 . 1 11 11 U C3' C 13 73.963 0.000 . 1 . . . . . 11 U C3' . 52873 1
38 . 1 . 1 11 11 U C4' C 13 82.153 0.000 . 1 . . . . . 11 U C4' . 52873 1
39 . 1 . 1 11 11 U C6 C 13 140.419 0.000 . 1 . . . . . 11 U C6 . 52873 1
40 . 1 . 1 12 12 I H1' H 1 5.943 0.000 . 1 . . . . . 12 I H1' . 52873 1
41 . 1 . 1 12 12 I H2 H 1 7.912 0.000 . 1 . . . . . 12 I H2 . 52873 1
42 . 1 . 1 12 12 I H2' H 1 4.739 0.000 . 1 . . . . . 12 I H2' . 52873 1
43 . 1 . 1 12 12 I H3' H 1 4.491 0.000 . 1 . . . . . 12 I H3' . 52873 1
44 . 1 . 1 12 12 I H4' H 1 4.508 0.000 . 1 . . . . . 12 I H4' . 52873 1
45 . 1 . 1 12 12 I H5'1 H 1 4.403 0.000 . 2 . . . . . 12 I H5'1 . 52873 1
46 . 1 . 1 12 12 I H5'2 H 1 4.178 0.000 . 2 . . . . . 12 I H5'2 . 52873 1
47 . 1 . 1 12 12 I H8 H 1 8.335 0.000 . 1 . . . . . 12 I H8 . 52873 1
48 . 1 . 1 12 12 I C1' C 13 90.969 0.000 . 1 . . . . . 12 I C1' . 52873 1
49 . 1 . 1 12 12 I C2 C 13 144.895 0.000 . 1 . . . . . 12 I C2 . 52873 1
50 . 1 . 1 12 12 I C2' C 13 72.907 0.000 . 1 . . . . . 12 I C2' . 52873 1
51 . 1 . 1 12 12 I C3' C 13 70.586 0.000 . 1 . . . . . 12 I C3' . 52873 1
52 . 1 . 1 12 12 I C4' C 13 80.277 0.000 . 1 . . . . . 12 I C4' . 52873 1
53 . 1 . 1 12 12 I C5' C 13 63.409 0.000 . 1 . . . . . 12 I C5' . 52873 1
54 . 1 . 1 12 12 I C8 C 13 138.769 0.000 . 1 . . . . . 12 I C8 . 52873 1
55 . 2 . 2 3 3 U H1' H 1 5.487 0.000 . 1 . . . . . 23 U H1' . 52873 1
56 . 2 . 2 3 3 U H2' H 1 4.443 0.000 . 1 . . . . . 23 U H2' . 52873 1
57 . 2 . 2 3 3 U H3' H 1 4.485 0.000 . 1 . . . . . 23 U H3' . 52873 1
58 . 2 . 2 3 3 U H4' H 1 4.388 0.000 . 1 . . . . . 23 U H4' . 52873 1
59 . 2 . 2 3 3 U H5' H 1 4.524 0.000 . 2 . . . . . 23 U H5' . 52873 1
60 . 2 . 2 3 3 U H5'' H 1 4.061 0.000 . 2 . . . . . 23 U H5'' . 52873 1
61 . 2 . 2 3 3 U H6 H 1 7.877 0.000 . 1 . . . . . 23 U H6 . 52873 1
62 . 2 . 2 3 3 U C1' C 13 91.054 0.000 . 1 . . . . . 23 U C1' . 52873 1
63 . 2 . 2 3 3 U C2' C 13 72.540 0.000 . 1 . . . . . 23 U C2' . 52873 1
64 . 2 . 2 3 3 U C3' C 13 69.434 0.000 . 1 . . . . . 23 U C3' . 52873 1
65 . 2 . 2 3 3 U C4' C 13 79.328 0.000 . 1 . . . . . 23 U C4' . 52873 1
66 . 2 . 2 3 3 U C5' C 13 61.688 0.000 . 1 . . . . . 23 U C5' . 52873 1
67 . 2 . 2 3 3 U C6 C 13 139.446 0.000 . 1 . . . . . 23 U C6 . 52873 1
68 . 2 . 2 9 9 U H1' H 1 5.469 0.000 . 1 . . . . . 29 U H1' . 52873 1
69 . 2 . 2 9 9 U H2' H 1 4.194 0.000 . 1 . . . . . 29 U H2' . 52873 1
70 . 2 . 2 9 9 U H3' H 1 4.414 0.000 . 1 . . . . . 29 U H3' . 52873 1
71 . 2 . 2 9 9 U H4' H 1 4.286 0.000 . 1 . . . . . 29 U H4' . 52873 1
72 . 2 . 2 9 9 U H5' H 1 4.296 0.000 . 2 . . . . . 29 U H5' . 52873 1
73 . 2 . 2 9 9 U H5'' H 1 3.980 0.000 . 2 . . . . . 29 U H5'' . 52873 1
74 . 2 . 2 9 9 U H6 H 1 7.455 0.000 . 1 . . . . . 29 U H6 . 52873 1
75 . 2 . 2 9 9 U C1' C 13 90.507 0.000 . 1 . . . . . 29 U C1' . 52873 1
76 . 2 . 2 9 9 U C2' C 13 73.028 0.000 . 1 . . . . . 29 U C2' . 52873 1
77 . 2 . 2 9 9 U C3' C 13 70.162 0.000 . 1 . . . . . 29 U C3' . 52873 1
78 . 2 . 2 9 9 U C4' C 13 80.081 0.000 . 1 . . . . . 29 U C4' . 52873 1
79 . 2 . 2 9 9 U C5' C 13 63.112 0.000 . 1 . . . . . 29 U C5' . 52873 1
80 . 2 . 2 9 9 U C6 C 13 137.338 0.000 . 1 . . . . . 29 U C6 . 52873 1
81 . 2 . 2 10 10 I H1' H 1 5.747 0.000 . 1 . . . . . 30 I H1' . 52873 1
82 . 2 . 2 10 10 I H2 H 1 7.513 0.000 . 1 . . . . . 30 I H2 . 52873 1
83 . 2 . 2 10 10 I H2' H 1 4.427 0.000 . 1 . . . . . 30 I H2' . 52873 1
84 . 2 . 2 10 10 I H4' H 1 4.426 0.000 . 1 . . . . . 30 I H4' . 52873 1
85 . 2 . 2 10 10 I H5'1 H 1 4.269 0.000 . 2 . . . . . 30 I H5'1 . 52873 1
86 . 2 . 2 10 10 I H5'2 H 1 4.036 0.000 . 2 . . . . . 30 I H5'2 . 52873 1
87 . 2 . 2 10 10 I H8 H 1 8.109 0.000 . 1 . . . . . 30 I H8 . 52873 1
88 . 2 . 2 10 10 I C1' C 13 87.864 0.000 . 1 . . . . . 30 I C1' . 52873 1
89 . 2 . 2 10 10 I C2 C 13 145.990 0.000 . 1 . . . . . 30 I C2 . 52873 1
90 . 2 . 2 10 10 I C2' C 13 73.428 0.000 . 1 . . . . . 30 I C2' . 52873 1
91 . 2 . 2 10 10 I C4' C 13 82.135 0.000 . 1 . . . . . 30 I C4' . 52873 1
92 . 2 . 2 10 10 I C5' C 13 64.252 0.000 . 1 . . . . . 30 I C5' . 52873 1
93 . 2 . 2 10 10 I C8 C 13 138.396 0.000 . 1 . . . . . 30 I C8 . 52873 1
94 . 2 . 2 11 11 U H1' H 1 5.601 0.000 . 1 . . . . . 31 U H1' . 52873 1
95 . 2 . 2 11 11 U H2' H 1 4.193 0.000 . 1 . . . . . 31 U H2' . 52873 1
96 . 2 . 2 11 11 U H3' H 1 4.473 0.000 . 1 . . . . . 31 U H3' . 52873 1
97 . 2 . 2 11 11 U H4' H 1 4.309 0.000 . 1 . . . . . 31 U H4' . 52873 1
98 . 2 . 2 11 11 U H5' H 1 4.016 0.000 . 2 . . . . . 31 U H5' . 52873 1
99 . 2 . 2 11 11 U H5'' H 1 4.156 0.000 . 2 . . . . . 31 U H5'' . 52873 1
100 . 2 . 2 11 11 U H6 H 1 7.557 0.000 . 1 . . . . . 31 U H6 . 52873 1
101 . 2 . 2 11 11 U C1' C 13 88.285 0.000 . 1 . . . . . 31 U C1' . 52873 1
102 . 2 . 2 11 11 U C2' C 13 73.123 0.000 . 1 . . . . . 31 U C2' . 52873 1
103 . 2 . 2 11 11 U C3' C 13 73.274 0.000 . 1 . . . . . 31 U C3' . 52873 1
104 . 2 . 2 11 11 U C4' C 13 81.878 0.000 . 1 . . . . . 31 U C4' . 52873 1
105 . 2 . 2 11 11 U C5' C 13 64.190 0.000 . 1 . . . . . 31 U C5' . 52873 1
106 . 2 . 2 11 11 U C6 C 13 140.156 0.000 . 1 . . . . . 31 U C6 . 52873 1
107 . 2 . 2 12 12 U H1' H 1 5.854 0.000 . 1 . . . . . 32 U H1' . 52873 1
108 . 2 . 2 12 12 U H2' H 1 4.342 0.000 . 1 . . . . . 32 U H2' . 52873 1
109 . 2 . 2 12 12 U H3' H 1 4.583 0.000 . 1 . . . . . 32 U H3' . 52873 1
110 . 2 . 2 12 12 U H4' H 1 4.426 0.000 . 1 . . . . . 32 U H4' . 52873 1
111 . 2 . 2 12 12 U H5' H 1 4.062 0.000 . 2 . . . . . 32 U H5' . 52873 1
112 . 2 . 2 12 12 U H5'' H 1 4.190 0.000 . 2 . . . . . 32 U H5'' . 52873 1
113 . 2 . 2 12 12 U H6 H 1 7.780 0.000 . 1 . . . . . 32 U H6 . 52873 1
114 . 2 . 2 12 12 U C1' C 13 88.284 0.000 . 1 . . . . . 32 U C1' . 52873 1
115 . 2 . 2 12 12 U C2' C 13 72.714 0.000 . 1 . . . . . 32 U C2' . 52873 1
116 . 2 . 2 12 12 U C3' C 13 73.488 0.000 . 1 . . . . . 32 U C3' . 52873 1
117 . 2 . 2 12 12 U C4' C 13 82.108 0.000 . 1 . . . . . 32 U C4' . 52873 1
118 . 2 . 2 12 12 U C5' C 13 64.577 0.000 . 1 . . . . . 32 U C5' . 52873 1
119 . 2 . 2 12 12 U C6 C 13 140.830 0.000 . 1 . . . . . 32 U C6 . 52873 1
120 . 2 . 2 13 13 U H1' H 1 5.689 0.000 . 1 . . . . . 33 U H1' . 52873 1
121 . 2 . 2 13 13 U H2' H 1 4.609 0.000 . 1 . . . . . 33 U H2' . 52873 1
122 . 2 . 2 13 13 U H4' H 1 4.467 0.000 . 1 . . . . . 33 U H4' . 52873 1
123 . 2 . 2 13 13 U H5' H 1 4.319 0.000 . 2 . . . . . 33 U H5' . 52873 1
124 . 2 . 2 13 13 U H5'' H 1 4.159 0.000 . 2 . . . . . 33 U H5'' . 52873 1
125 . 2 . 2 13 13 U H6 H 1 7.943 0.000 . 1 . . . . . 33 U H6 . 52873 1
126 . 2 . 2 13 13 U C1' C 13 89.731 0.000 . 1 . . . . . 33 U C1' . 52873 1
127 . 2 . 2 13 13 U C2' C 13 72.050 0.000 . 1 . . . . . 33 U C2' . 52873 1
128 . 2 . 2 13 13 U C4' C 13 80.849 0.000 . 1 . . . . . 33 U C4' . 52873 1
129 . 2 . 2 13 13 U C5' C 13 64.061 0.000 . 1 . . . . . 33 U C5' . 52873 1
130 . 2 . 2 13 13 U C6 C 13 140.687 0.000 . 1 . . . . . 33 U C6 . 52873 1
stop_
save_