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 50268
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 1
_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
;
Assignments for DMA:
120 2 1 DMA H8 H 1 2.9065 . . 1
121 2 1 DMA H9 H 1 2.9065 . . 1
122 2 1 DMA H10 H 1 2.9065 . . 1
123 2 1 DMA H11 H 1 2.9065 . . 1
124 2 1 DMA H12 H 1 2.9065 . . 1
125 2 1 DMA H13 H 1 2.9065 . . 1
;
_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' . . . 50268 1
2 '2D 1H-1H NOESY' . . . 50268 1
3 '2D 1H-1H NOESY' . . . 50268 1
4 '2D 1H-1H NOESY' . . . 50268 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
4 $software_4 . . 50268 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 5.7693 . . 1 . . . . . 1 G H1' . 50268 1
2 . 1 . 1 1 1 G H2' H 1 4.919 . . 1 . . . . . 1 G H2' . 50268 1
3 . 1 . 1 1 1 G H8 H 1 8.0965 . . 1 . . . . . 1 G H8 . 50268 1
4 . 1 . 1 2 2 G H1' H 1 5.8309 . . 1 . . . . . 2 G H1' . 50268 1
5 . 1 . 1 2 2 G H2' H 1 4.919 . . 1 . . . . . 2 G H2' . 50268 1
6 . 1 . 1 2 2 G H8 H 1 7.5556 . . 1 . . . . . 2 G H8 . 50268 1
7 . 1 . 1 3 3 A H1' H 1 5.9374 . . 1 . . . . . 3 A H1' . 50268 1
8 . 1 . 1 3 3 A H2 H 1 7.7052 . . 1 . . . . . 3 A H2 . 50268 1
9 . 1 . 1 3 3 A H2' H 1 4.5152 . . 1 . . . . . 3 A H2' . 50268 1
10 . 1 . 1 3 3 A H8 H 1 7.7589 . . 1 . . . . . 3 A H8 . 50268 1
11 . 1 . 1 4 4 U H1' H 1 5.4307 . . 1 . . . . . 4 U H1' . 50268 1
12 . 1 . 1 4 4 U H2' H 1 4.3148 . . 1 . . . . . 4 U H2' . 50268 1
13 . 1 . 1 4 4 U H6 H 1 7.5058 . . 1 . . . . . 4 U H6 . 50268 1
14 . 1 . 1 5 5 C H1' H 1 5.5206 . . 1 . . . . . 5 C H1' . 50268 1
15 . 1 . 1 5 5 C H2' H 1 4.2347 . . 1 . . . . . 5 C H2' . 50268 1
16 . 1 . 1 5 5 C H6 H 1 7.6918 . . 1 . . . . . 5 C H6 . 50268 1
17 . 1 . 1 6 6 A H1' H 1 5.7169 . . 1 . . . . . 6 A H1' . 50268 1
18 . 1 . 1 6 6 A H2 H 1 6.8399 . . 1 . . . . . 6 A H2 . 50268 1
19 . 1 . 1 6 6 A H8 H 1 7.8142 . . 1 . . . . . 6 A H8 . 50268 1
20 . 1 . 1 7 7 A H1' H 1 5.4921 . . 1 . . . . . 7 A H1' . 50268 1
21 . 1 . 1 7 7 A H2 H 1 7.6522 . . 1 . . . . . 7 A H2 . 50268 1
22 . 1 . 1 7 7 A H8 H 1 7.4506 . . 1 . . . . . 7 A H8 . 50268 1
23 . 1 . 1 9 9 A H1' H 1 5.7235 . . 1 . . . . . 9 A H1' . 50268 1
24 . 1 . 1 9 9 A H2 H 1 7.8729 . . 1 . . . . . 9 A H2 . 50268 1
25 . 1 . 1 9 9 A H8 H 1 8.0206 . . 1 . . . . . 9 A H8 . 50268 1
26 . 1 . 1 10 10 G H1' H 1 5.4139 . . 1 . . . . . 10 G H1' . 50268 1
27 . 1 . 1 10 10 G H8 H 1 7.6502 . . 1 . . . . . 10 G H8 . 50268 1
28 . 1 . 1 12 12 A H1' H 1 5.7453 . . 1 . . . . . 12 A H1' . 50268 1
29 . 1 . 1 12 12 A H2 H 1 7.5287 . . 1 . . . . . 12 A H2 . 50268 1
30 . 1 . 1 12 12 A H8 H 1 8.1796 . . 1 . . . . . 12 A H8 . 50268 1
31 . 1 . 1 13 13 G H1' H 1 5.6196 . . 1 . . . . . 13 G H1' . 50268 1
32 . 1 . 1 13 13 G H8 H 1 7.2797 . . 1 . . . . . 13 G H8 . 50268 1
33 . 1 . 1 14 14 G H1' H 1 5.7356 . . 1 . . . . . 14 G H1' . 50268 1
34 . 1 . 1 14 14 G H2' H 1 4.5963 . . 1 . . . . . 14 G H2' . 50268 1
35 . 1 . 1 14 14 G H8 H 1 7.1393 . . 1 . . . . . 14 G H8 . 50268 1
36 . 1 . 1 15 15 U H1' H 1 5.6125 . . 1 . . . . . 15 U H1' . 50268 1
37 . 1 . 1 15 15 U H2' H 1 4.6435 . . 1 . . . . . 15 U H2' . 50268 1
38 . 1 . 1 15 15 U H6 H 1 7.6216 . . 1 . . . . . 15 U H6 . 50268 1
39 . 1 . 1 16 16 G H1' H 1 5.7499 . . 1 . . . . . 16 G H1' . 50268 1
40 . 1 . 1 16 16 G H2' H 1 4.6435 . . 1 . . . . . 16 G H2' . 50268 1
41 . 1 . 1 16 16 G H8 H 1 7.8828 . . 1 . . . . . 16 G H8 . 50268 1
42 . 1 . 1 17 17 U H1' H 1 5.4034 . . 1 . . . . . 17 U H1' . 50268 1
43 . 1 . 1 17 17 U H2' H 1 4.4607 . . 1 . . . . . 17 U H2' . 50268 1
44 . 1 . 1 17 17 U H6 H 1 7.6009 . . 1 . . . . . 17 U H6 . 50268 1
45 . 1 . 1 18 18 G H1' H 1 5.7403 . . 1 . . . . . 18 G H1' . 50268 1
46 . 1 . 1 18 18 G H2' H 1 4.4885 . . 1 . . . . . 18 G H2' . 50268 1
47 . 1 . 1 18 18 G H8 H 1 7.6581 . . 1 . . . . . 18 G H8 . 50268 1
48 . 1 . 1 19 19 G H1' H 1 5.6690 . . 1 . . . . . 19 G H1' . 50268 1
49 . 1 . 1 19 19 G H2' H 1 4.5602 . . 1 . . . . . 19 G H2' . 50268 1
50 . 1 . 1 19 19 G H8 H 1 7.1719 . . 1 . . . . . 19 G H8 . 50268 1
51 . 1 . 1 20 20 C H1' H 1 5.4042 . . 1 . . . . . 20 C H1' . 50268 1
52 . 1 . 1 20 20 C H2' H 1 4.5343 . . 1 . . . . . 20 C H2' . 50268 1
53 . 1 . 1 20 20 C H6 H 1 7.3783 . . 1 . . . . . 20 C H6 . 50268 1
54 . 1 . 1 21 21 A H1' H 1 5.8282 . . 1 . . . . . 21 A H1' . 50268 1
55 . 1 . 1 21 21 A H2 H 1 8.1402 . . 1 . . . . . 21 A H2 . 50268 1
56 . 1 . 1 21 21 A H8 H 1 7.9272 . . 1 . . . . . 21 A H8 . 50268 1
57 . 1 . 1 22 22 C H1' H 1 5.3542 . . 1 . . . . . 22 C H1' . 50268 1
58 . 1 . 1 22 22 C H2' H 1 3.9409 . . 1 . . . . . 22 C H2' . 50268 1
59 . 1 . 1 22 22 C H6 H 1 7.3848 . . 1 . . . . . 22 C H6 . 50268 1
60 . 1 . 1 23 23 A H1' H 1 5.8454 . . 1 . . . . . 23 A H1' . 50268 1
61 . 1 . 1 23 23 A H2 H 1 7.9808 . . 1 . . . . . 23 A H2 . 50268 1
62 . 1 . 1 23 23 A H8 H 1 8.2427 . . 1 . . . . . 23 A H8 . 50268 1
63 . 1 . 1 24 24 C H1' H 1 5.3562 . . 1 . . . . . 24 C H1' . 50268 1
64 . 1 . 1 24 24 C H2' H 1 4.2991 . . 1 . . . . . 24 C H2' . 50268 1
65 . 1 . 1 24 24 C H6 H 1 7.4208 . . 1 . . . . . 24 C H6 . 50268 1
66 . 1 . 1 25 25 C H1' H 1 5.5748 . . 1 . . . . . 25 C H1' . 50268 1
67 . 1 . 1 25 25 C H2' H 1 4.3174 . . 1 . . . . . 25 C H2' . 50268 1
68 . 1 . 1 25 25 C H6 H 1 7.6746 . . 1 . . . . . 25 C H6 . 50268 1
69 . 1 . 1 26 26 A H1' H 1 5.9484 . . 1 . . . . . 26 A H1' . 50268 1
70 . 1 . 1 26 26 A H2 H 1 7.4214 . . 1 . . . . . 26 A H2 . 50268 1
71 . 1 . 1 26 26 A H2' H 1 4.3068 . . 1 . . . . . 26 A H2' . 50268 1
72 . 1 . 1 26 26 A H8 H 1 8.2240 . . 1 . . . . . 26 A H8 . 50268 1
73 . 1 . 1 27 27 G H1' H 1 5.4408 . . 1 . . . . . 27 G H1' . 50268 1
74 . 1 . 1 27 27 G H2' H 1 4.3490 . . 1 . . . . . 27 G H2' . 50268 1
75 . 1 . 1 27 27 G H8 H 1 7.5897 . . 1 . . . . . 27 G H8 . 50268 1
76 . 1 . 1 28 28 U H1' H 1 5.5159 . . 1 . . . . . 28 U H1' . 50268 1
77 . 1 . 1 28 28 U H2' H 1 4.1411 . . 1 . . . . . 28 U H2' . 50268 1
78 . 1 . 1 28 28 U H6 H 1 7.7205 . . 1 . . . . . 28 U H6 . 50268 1
79 . 1 . 1 29 29 C H1' H 1 5.6092 . . 1 . . . . . 29 C H1' . 50268 1
80 . 1 . 1 29 29 C H2' H 1 4.6041 . . 1 . . . . . 29 C H2' . 50268 1
81 . 1 . 1 29 29 C H6 H 1 7.8899 . . 1 . . . . . 29 C H6 . 50268 1
82 . 1 . 1 30 30 A H1' H 1 5.7739 . . 1 . . . . . 30 A H1' . 50268 1
83 . 1 . 1 30 30 A H2 H 1 7.2592 . . 1 . . . . . 30 A H2 . 50268 1
84 . 1 . 1 30 30 A H2' H 1 4.6323 . . 1 . . . . . 30 A H2' . 50268 1
85 . 1 . 1 30 30 A H8 H 1 7.9033 . . 1 . . . . . 30 A H8 . 50268 1
86 . 1 . 1 31 31 U H1' H 1 5.2334 . . 1 . . . . . 31 U H1' . 50268 1
87 . 1 . 1 31 31 U H2' H 1 4.1062 . . 1 . . . . . 31 U H2' . 50268 1
88 . 1 . 1 31 31 U H6 H 1 7.5364 . . 1 . . . . . 31 U H6 . 50268 1
89 . 1 . 1 32 32 A H1' H 1 5.8678 . . 1 . . . . . 32 A H1' . 50268 1
90 . 1 . 1 32 32 A H2 H 1 7.3525 . . 1 . . . . . 32 A H2 . 50268 1
91 . 1 . 1 32 32 A H2' H 1 4.5849 . . 1 . . . . . 32 A H2' . 50268 1
92 . 1 . 1 32 32 A H8 H 1 8.324 . . 1 . . . . . 32 A H8 . 50268 1
93 . 1 . 1 33 33 C H1' H 1 5.3655 . . 1 . . . . . 33 C H1' . 50268 1
94 . 1 . 1 33 33 C H2' H 1 4.2397 . . 1 . . . . . 33 C H2' . 50268 1
95 . 1 . 1 33 33 C H6 H 1 7.4759 . . 1 . . . . . 33 C H6 . 50268 1
96 . 1 . 1 34 34 C H1' H 1 5.4975 . . 1 . . . . . 34 C H1' . 50268 1
97 . 1 . 1 34 34 C H2' H 1 4.5137 . . 1 . . . . . 34 C H2' . 50268 1
98 . 1 . 1 34 34 C H6 H 1 7.7370 . . 1 . . . . . 34 C H6 . 50268 1
99 . 1 . 1 35 35 U H1' H 1 5.8994 . . 1 . . . . . 35 U H1' . 50268 1
100 . 1 . 1 35 35 U H2' H 1 4.3533 . . 1 . . . . . 35 U H2' . 50268 1
101 . 1 . 1 35 35 U H6 H 1 7.7573 . . 1 . . . . . 35 U H6 . 50268 1
102 . 1 . 1 36 36 U H1' H 1 5.7697 . . 1 . . . . . 36 U H1' . 50268 1
103 . 1 . 1 36 36 U H6 H 1 7.8874 . . 1 . . . . . 36 U H6 . 50268 1
104 . 1 . 1 37 37 G H1' H 1 5.7368 . . 1 . . . . . 37 G H1' . 50268 1
105 . 1 . 1 37 37 G H2' H 1 4.4291 . . 1 . . . . . 37 G H2' . 50268 1
106 . 1 . 1 37 37 G H8 H 1 7.8406 . . 1 . . . . . 37 G H8 . 50268 1
107 . 1 . 1 38 38 A H1' H 1 5.8936 . . 1 . . . . . 38 A H1' . 50268 1
108 . 1 . 1 38 38 A H2 H 1 7.6534 . . 1 . . . . . 38 A H2 . 50268 1
109 . 1 . 1 38 38 A H2' H 1 4.4704 . . 1 . . . . . 38 A H2' . 50268 1
110 . 1 . 1 38 38 A H8 H 1 7.8214 . . 1 . . . . . 38 A H8 . 50268 1
111 . 1 . 1 39 39 U H1' H 1 5.4357 . . 1 . . . . . 39 U H1' . 50268 1
112 . 1 . 1 39 39 U H2' H 1 4.3426 . . 1 . . . . . 39 U H2' . 50268 1
113 . 1 . 1 39 39 U H6 H 1 7.5691 . . 1 . . . . . 39 U H6 . 50268 1
114 . 1 . 1 40 40 C H1' H 1 5.5406 . . 1 . . . . . 40 C H1' . 50268 1
115 . 1 . 1 40 40 C H2' H 1 4.1986 . . 1 . . . . . 40 C H2' . 50268 1
116 . 1 . 1 40 40 C H6 H 1 7.7894 . . 1 . . . . . 40 C H6 . 50268 1
117 . 1 . 1 41 41 C H1' H 1 5.7055 . . 1 . . . . . 41 C H1' . 50268 1
118 . 1 . 1 41 41 C H2' H 1 3.9571 . . 1 . . . . . 41 C H2' . 50268 1
119 . 1 . 1 41 41 C H6 H 1 7.6143 . . 1 . . . . . 41 C H6 . 50268 1
stop_
save_