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 36003
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 0.01
_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
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36003 1
4 '2D DQF-COSY' 1 $sample_1 isotropic 36003 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
3 $software_3 . . 36003 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 2 2 DC H1' H 1 6.016 0.01 . 1 . . . . A 2 DC H1' . 36003 1
2 . 1 . 1 2 2 DC H2' H 1 2.775 0.01 . 1 . . . . A 2 DC H2' . 36003 1
3 . 1 . 1 2 2 DC H4' H 1 4.371 0.01 . 1 . . . . A 2 DC H4' . 36003 1
4 . 1 . 1 2 2 DC H5 H 1 5.939 0.01 . 1 . . . . A 2 DC H5 . 36003 1
5 . 1 . 1 2 2 DC H5' H 1 4.140 0.01 . 2 . . . . A 2 DC H5' . 36003 1
6 . 1 . 1 2 2 DC H6 H 1 7.749 0.01 . 1 . . . . A 2 DC H6 . 36003 1
7 . 1 . 1 2 2 DC H42 H 1 8.293 0.01 . 1 . . . . A 2 DC H42 . 36003 1
8 . 1 . 1 3 3 DG H1 H 1 13.027 0.01 . 1 . . . . A 3 DG H1 . 36003 1
9 . 1 . 1 3 3 DG H1' H 1 5.658 0.01 . 1 . . . . A 3 DG H1' . 36003 1
10 . 1 . 1 3 3 DG H2' H 1 2.296 0.01 . 1 . . . . A 3 DG H2' . 36003 1
11 . 1 . 1 3 3 DG H5' H 1 4.071 0.01 . 2 . . . . A 3 DG H5' . 36003 1
12 . 1 . 1 3 3 DG H8 H 1 7.943 0.01 . 1 . . . . A 3 DG H8 . 36003 1
13 . 1 . 1 4 4 DC H1' H 1 5.644 0.01 . 1 . . . . A 4 DC H1' . 36003 1
14 . 1 . 1 4 4 DC H2' H 1 1.881 0.01 . 1 . . . . A 4 DC H2' . 36003 1
15 . 1 . 1 4 4 DC H5 H 1 5.541 0.01 . 1 . . . . A 4 DC H5 . 36003 1
16 . 1 . 1 4 4 DC H6 H 1 7.454 0.01 . 1 . . . . A 4 DC H6 . 36003 1
17 . 1 . 1 4 4 DC H42 H 1 8.284 0.01 . 1 . . . . A 4 DC H42 . 36003 1
18 . 1 . 1 5 5 DA H1' H 1 6.177 0.01 . 1 . . . . A 5 DA H1' . 36003 1
19 . 1 . 1 5 5 DA H2' H 1 2.633 0.01 . 1 . . . . A 5 DA H2' . 36003 1
20 . 1 . 1 5 5 DA H4' H 1 4.417 0.01 . 1 . . . . A 5 DA H4' . 36003 1
21 . 1 . 1 5 5 DA H5' H 1 4.081 0.01 . 2 . . . . A 5 DA H5' . 36003 1
22 . 1 . 1 5 5 DA H8 H 1 8.274 0.01 . 1 . . . . A 5 DA H8 . 36003 1
23 . 1 . 1 6 6 DT H1' H 1 6.020 0.01 . 1 . . . . A 6 DT H1' . 36003 1
24 . 1 . 1 6 6 DT H2' H 1 2.622 0.01 . 1 . . . . A 6 DT H2' . 36003 1
25 . 1 . 1 6 6 DT H3 H 1 13.488 0.01 . 1 . . . . A 6 DT H3 . 36003 1
26 . 1 . 1 6 6 DT H6 H 1 7.384 0.01 . 1 . . . . A 6 DT H6 . 36003 1
27 . 1 . 1 6 6 DT H71 H 1 1.588 0.01 . 1 . . . . A 6 DT H71 . 36003 1
28 . 1 . 1 6 6 DT H72 H 1 1.588 0.01 . 1 . . . . A 6 DT H72 . 36003 1
29 . 1 . 1 6 6 DT H73 H 1 1.588 0.01 . 1 . . . . A 6 DT H73 . 36003 1
30 . 1 . 1 7 7 DG H1 H 1 12.554 0.01 . 1 . . . . A 7 DG H1 . 36003 1
31 . 1 . 1 7 7 DG H1' H 1 5.994 0.01 . 1 . . . . A 7 DG H1' . 36003 1
32 . 1 . 1 7 7 DG H2' H 1 2.780 0.01 . 1 . . . . A 7 DG H2' . 36003 1
33 . 1 . 1 7 7 DG H4' H 1 4.386 0.01 . 1 . . . . A 7 DG H4' . 36003 1
34 . 1 . 1 7 7 DG H5' H 1 4.143 0.01 . 2 . . . . A 7 DG H5' . 36003 1
35 . 1 . 1 7 7 DG H8 H 1 7.947 0.01 . 1 . . . . A 7 DG H8 . 36003 1
36 . 1 . 1 8 8 DC H1' H 1 5.766 0.01 . 1 . . . . A 8 DC H1' . 36003 1
37 . 1 . 1 8 8 DC H2' H 1 1.926 0.01 . 1 . . . . A 8 DC H2' . 36003 1
38 . 1 . 1 8 8 DC H5 H 1 5.406 0.01 . 1 . . . . A 8 DC H5 . 36003 1
39 . 1 . 1 8 8 DC H6 H 1 7.406 0.01 . 1 . . . . A 8 DC H6 . 36003 1
40 . 1 . 1 8 8 DC H42 H 1 8.474 0.01 . 1 . . . . A 8 DC H42 . 36003 1
41 . 1 . 1 9 9 DG H1' H 1 5.957 0.01 . 1 . . . . A 9 DG H1' . 36003 1
42 . 1 . 1 9 9 DG H2' H 1 2.622 0.01 . 1 . . . . A 9 DG H2' . 36003 1
43 . 1 . 1 9 9 DG H4' H 1 4.351 0.01 . 1 . . . . A 9 DG H4' . 36003 1
44 . 1 . 1 9 9 DG H8 H 1 7.913 0.01 . 1 . . . . A 9 DG H8 . 36003 1
45 . 1 . 1 10 10 DC H1' H 1 5.754 0.01 . 1 . . . . A 10 DC H1' . 36003 1
46 . 1 . 1 10 10 DC H2' H 1 2.350 0.01 . 1 . . . . A 10 DC H2' . 36003 1
47 . 1 . 1 10 10 DC H5 H 1 5.339 0.01 . 1 . . . . A 10 DC H5 . 36003 1
48 . 1 . 1 10 10 DC H5' H 1 4.144 0.01 . 2 . . . . A 10 DC H5' . 36003 1
49 . 1 . 1 10 10 DC H6 H 1 7.186 0.01 . 1 . . . . A 10 DC H6 . 36003 1
50 . 1 . 1 11 11 DT H1' H 1 6.238 0.01 . 1 . . . . A 11 DT H1' . 36003 1
51 . 1 . 1 11 11 DT H2' H 1 2.653 0.01 . 1 . . . . A 11 DT H2' . 36003 1
52 . 1 . 1 11 11 DT H4' H 1 4.385 0.01 . 1 . . . . A 11 DT H4' . 36003 1
53 . 1 . 1 11 11 DT H5' H 1 4.148 0.01 . 2 . . . . A 11 DT H5' . 36003 1
54 . 1 . 1 11 11 DT H6 H 1 7.097 0.01 . 1 . . . . A 11 DT H6 . 36003 1
55 . 1 . 1 11 11 DT H71 H 1 1.417 0.01 . 1 . . . . A 11 DT H71 . 36003 1
56 . 1 . 1 11 11 DT H72 H 1 1.417 0.01 . 1 . . . . A 11 DT H72 . 36003 1
57 . 1 . 1 11 11 DT H73 H 1 1.417 0.01 . 1 . . . . A 11 DT H73 . 36003 1
58 . 1 . 1 12 12 DA H1' H 1 5.660 0.01 . 1 . . . . A 12 DA H1' . 36003 1
59 . 1 . 1 12 12 DA H2' H 1 2.401 0.01 . 1 . . . . A 12 DA H2' . 36003 1
60 . 1 . 1 12 12 DA H5' H 1 4.178 0.01 . 2 . . . . A 12 DA H5' . 36003 1
61 . 1 . 1 12 12 DA H8 H 1 8.289 0.01 . 1 . . . . A 12 DA H8 . 36003 1
62 . 1 . 1 13 13 DC H1' H 1 5.935 0.01 . 1 . . . . A 13 DC H1' . 36003 1
63 . 1 . 1 13 13 DC H2' H 1 2.698 0.01 . 1 . . . . A 13 DC H2' . 36003 1
64 . 1 . 1 13 13 DC H4' H 1 4.390 0.01 . 1 . . . . A 13 DC H4' . 36003 1
65 . 1 . 1 13 13 DC H5 H 1 5.291 0.01 . 1 . . . . A 13 DC H5 . 36003 1
66 . 1 . 1 13 13 DC H5' H 1 4.140 0.01 . 2 . . . . A 13 DC H5' . 36003 1
67 . 1 . 1 13 13 DC H6 H 1 7.292 0.01 . 1 . . . . A 13 DC H6 . 36003 1
68 . 1 . 1 13 13 DC H42 H 1 8.157 0.01 . 1 . . . . A 13 DC H42 . 36003 1
69 . 1 . 1 14 14 DG H1 H 1 12.943 0.01 . 1 . . . . A 14 DG H1 . 36003 1
70 . 1 . 1 14 14 DG H1' H 1 5.778 0.01 . 1 . . . . A 14 DG H1' . 36003 1
71 . 1 . 1 14 14 DG H2' H 1 2.301 0.01 . 1 . . . . A 14 DG H2' . 36003 1
72 . 1 . 1 14 14 DG H5' H 1 4.155 0.01 . 2 . . . . A 14 DG H5' . 36003 1
73 . 1 . 1 14 14 DG H8 H 1 7.973 0.01 . 1 . . . . A 14 DG H8 . 36003 1
74 . 1 . 1 15 15 DC H1' H 1 5.904 0.01 . 1 . . . . A 15 DC H1' . 36003 1
75 . 1 . 1 15 15 DC H2' H 1 2.713 0.01 . 1 . . . . A 15 DC H2' . 36003 1
76 . 1 . 1 15 15 DC H4' H 1 4.382 0.01 . 1 . . . . A 15 DC H4' . 36003 1
77 . 1 . 1 15 15 DC H5 H 1 5.369 0.01 . 1 . . . . A 15 DC H5 . 36003 1
78 . 1 . 1 15 15 DC H5' H 1 4.161 0.01 . 2 . . . . A 15 DC H5' . 36003 1
79 . 1 . 1 15 15 DC H6 H 1 7.330 0.01 . 1 . . . . A 15 DC H6 . 36003 1
80 . 1 . 1 15 15 DC H42 H 1 8.488 0.01 . 1 . . . . A 15 DC H42 . 36003 1
81 . 1 . 1 16 16 DG H8 H 1 7.878 0.01 . 1 . . . . A 16 DG H8 . 36003 1
82 . 2 . 2 2 2 DG H1 H 1 13.154 0.01 . 1 . . . . B 18 DG H1 . 36003 1
83 . 2 . 2 2 2 DG H1' H 1 6.394 0.01 . 1 . . . . B 18 DG H1' . 36003 1
84 . 2 . 2 2 2 DG H2' H 1 1.909 0.01 . 1 . . . . B 18 DG H2' . 36003 1
85 . 2 . 2 2 2 DG H8 H 1 7.939 0.01 . 1 . . . . B 18 DG H8 . 36003 1
86 . 2 . 2 3 3 DC H1' H 1 5.750 0.01 . 1 . . . . B 19 DC H1' . 36003 1
87 . 2 . 2 3 3 DC H2' H 1 2.088 0.01 . 1 . . . . B 19 DC H2' . 36003 1
88 . 2 . 2 3 3 DC H5 H 1 5.380 0.01 . 1 . . . . B 19 DC H5 . 36003 1
89 . 2 . 2 3 3 DC H6 H 1 7.052 0.01 . 1 . . . . B 19 DC H6 . 36003 1
90 . 2 . 2 3 3 DC H42 H 1 8.343 0.01 . 1 . . . . B 19 DC H42 . 36003 1
91 . 2 . 2 4 4 DG H1 H 1 12.846 0.01 . 1 . . . . B 20 DG H1 . 36003 1
92 . 2 . 2 4 4 DG H1' H 1 5.930 0.01 . 1 . . . . B 20 DG H1' . 36003 1
93 . 2 . 2 4 4 DG H2' H 1 2.669 0.01 . 1 . . . . B 20 DG H2' . 36003 1
94 . 2 . 2 4 4 DG H4' H 1 4.380 0.01 . 1 . . . . B 20 DG H4' . 36003 1
95 . 2 . 2 4 4 DG H5' H 1 4.145 0.01 . 2 . . . . B 20 DG H5' . 36003 1
96 . 2 . 2 4 4 DG H8 H 1 7.894 0.01 . 1 . . . . B 20 DG H8 . 36003 1
97 . 2 . 2 5 5 DT H1' H 1 6.236 0.01 . 1 . . . . B 21 DT H1' . 36003 1
98 . 2 . 2 5 5 DT H2' H 1 2.885 0.01 . 1 . . . . B 21 DT H2' . 36003 1
99 . 2 . 2 5 5 DT H3 H 1 13.571 0.01 . 1 . . . . B 21 DT H3 . 36003 1
100 . 2 . 2 5 5 DT H4' H 1 4.405 0.01 . 1 . . . . B 21 DT H4' . 36003 1
101 . 2 . 2 5 5 DT H5' H 1 4.140 0.01 . 2 . . . . B 21 DT H5' . 36003 1
102 . 2 . 2 5 5 DT H6 H 1 7.134 0.01 . 1 . . . . B 21 DT H6 . 36003 1
103 . 2 . 2 5 5 DT H71 H 1 1.505 0.01 . 1 . . . . B 21 DT H71 . 36003 1
104 . 2 . 2 5 5 DT H72 H 1 1.505 0.01 . 1 . . . . B 21 DT H72 . 36003 1
105 . 2 . 2 5 5 DT H73 H 1 1.505 0.01 . 1 . . . . B 21 DT H73 . 36003 1
106 . 2 . 2 6 6 DA H1' H 1 5.654 0.01 . 1 . . . . B 22 DA H1' . 36003 1
107 . 2 . 2 6 6 DA H2' H 1 2.002 0.01 . 1 . . . . B 22 DA H2' . 36003 1
108 . 2 . 2 6 6 DA H8 H 1 8.262 0.01 . 1 . . . . B 22 DA H8 . 36003 1
109 . 2 . 2 7 7 DC H1' H 1 5.960 0.01 . 1 . . . . B 23 DC H1' . 36003 1
110 . 2 . 2 7 7 DC H2' H 1 2.612 0.01 . 1 . . . . B 23 DC H2' . 36003 1
111 . 2 . 2 7 7 DC H5 H 1 5.412 0.01 . 1 . . . . B 23 DC H5 . 36003 1
112 . 2 . 2 7 7 DC H6 H 1 7.347 0.01 . 1 . . . . B 23 DC H6 . 36003 1
113 . 2 . 2 7 7 DC H42 H 1 8.293 0.01 . 1 . . . . B 23 DC H42 . 36003 1
114 . 2 . 2 8 8 DG H1 H 1 12.927 0.01 . 1 . . . . B 24 DG H1 . 36003 1
115 . 2 . 2 8 8 DG H1' H 1 5.760 0.01 . 1 . . . . B 24 DG H1' . 36003 1
116 . 2 . 2 8 8 DG H2' H 1 2.436 0.01 . 1 . . . . B 24 DG H2' . 36003 1
117 . 2 . 2 8 8 DG H5' H 1 4.190 0.01 . 2 . . . . B 24 DG H5' . 36003 1
118 . 2 . 2 8 8 DG H8 H 1 7.911 0.01 . 1 . . . . B 24 DG H8 . 36003 1
119 . 2 . 2 9 9 DC H1' H 1 5.812 0.01 . 1 . . . . B 25 DC H1' . 36003 1
120 . 2 . 2 9 9 DC H2' H 1 2.623 0.01 . 1 . . . . B 25 DC H2' . 36003 1
121 . 2 . 2 9 9 DC H4' H 1 4.292 0.01 . 1 . . . . B 25 DC H4' . 36003 1
122 . 2 . 2 9 9 DC H5 H 1 5.888 0.01 . 1 . . . . B 25 DC H5 . 36003 1
123 . 2 . 2 9 9 DC H5' H 1 4.135 0.01 . 2 . . . . B 25 DC H5' . 36003 1
124 . 2 . 2 9 9 DC H6 H 1 7.566 0.01 . 1 . . . . B 25 DC H6 . 36003 1
125 . 2 . 2 9 9 DC H42 H 1 8.272 0.01 . 1 . . . . B 25 DC H42 . 36003 1
126 . 2 . 2 10 10 DG H1 H 1 13.083 0.01 . 1 . . . . B 26 DG H1 . 36003 1
127 . 2 . 2 10 10 DG H1' H 1 6.178 0.01 . 1 . . . . B 26 DG H1' . 36003 1
128 . 2 . 2 10 10 DG H2' H 1 2.391 0.01 . 1 . . . . B 26 DG H2' . 36003 1
129 . 2 . 2 10 10 DG H5' H 1 4.142 0.01 . 2 . . . . B 26 DG H5' . 36003 1
130 . 2 . 2 10 10 DG H8 H 1 7.951 0.01 . 1 . . . . B 26 DG H8 . 36003 1
131 . 2 . 2 11 11 DA H1' H 1 5.681 0.01 . 1 . . . . B 27 DA H1' . 36003 1
132 . 2 . 2 11 11 DA H2' H 1 1.833 0.01 . 1 . . . . B 27 DA H2' . 36003 1
133 . 2 . 2 11 11 DA H8 H 1 8.295 0.01 . 1 . . . . B 27 DA H8 . 36003 1
134 . 2 . 2 12 12 DT H1' H 1 6.257 0.01 . 1 . . . . B 28 DT H1' . 36003 1
135 . 2 . 2 12 12 DT H2' H 1 2.638 0.01 . 1 . . . . B 28 DT H2' . 36003 1
136 . 2 . 2 12 12 DT H3 H 1 13.526 0.01 . 1 . . . . B 28 DT H3 . 36003 1
137 . 2 . 2 12 12 DT H4' H 1 4.369 0.01 . 1 . . . . B 28 DT H4' . 36003 1
138 . 2 . 2 12 12 DT H5' H 1 4.146 0.01 . 2 . . . . B 28 DT H5' . 36003 1
139 . 2 . 2 12 12 DT H6 H 1 7.160 0.01 . 1 . . . . B 28 DT H6 . 36003 1
140 . 2 . 2 12 12 DT H71 H 1 1.529 0.01 . 1 . . . . B 28 DT H71 . 36003 1
141 . 2 . 2 12 12 DT H72 H 1 1.529 0.01 . 1 . . . . B 28 DT H72 . 36003 1
142 . 2 . 2 12 12 DT H73 H 1 1.529 0.01 . 1 . . . . B 28 DT H73 . 36003 1
143 . 2 . 2 13 13 DG H1 H 1 12.610 0.01 . 1 . . . . B 29 DG H1 . 36003 1
144 . 2 . 2 13 13 DG H1' H 1 5.758 0.01 . 1 . . . . B 29 DG H1' . 36003 1
145 . 2 . 2 13 13 DG H2' H 1 2.642 0.01 . 1 . . . . B 29 DG H2' . 36003 1
146 . 2 . 2 13 13 DG H4' H 1 4.393 0.01 . 1 . . . . B 29 DG H4' . 36003 1
147 . 2 . 2 13 13 DG H5' H 1 4.197 0.01 . 2 . . . . B 29 DG H5' . 36003 1
148 . 2 . 2 13 13 DG H8 H 1 7.896 0.01 . 1 . . . . B 29 DG H8 . 36003 1
149 . 2 . 2 14 14 DC H1' H 1 5.926 0.01 . 1 . . . . B 30 DC H1' . 36003 1
150 . 2 . 2 14 14 DC H2' H 1 1.891 0.01 . 1 . . . . B 30 DC H2' . 36003 1
151 . 2 . 2 14 14 DC H5 H 1 5.401 0.01 . 1 . . . . B 30 DC H5 . 36003 1
152 . 2 . 2 14 14 DC H6 H 1 7.264 0.01 . 1 . . . . B 30 DC H6 . 36003 1
153 . 2 . 2 14 14 DC H42 H 1 8.323 0.01 . 1 . . . . B 30 DC H42 . 36003 1
154 . 2 . 2 15 15 DG H1' H 1 5.790 0.01 . 1 . . . . B 31 DG H1' . 36003 1
155 . 2 . 2 15 15 DG H2' H 1 1.993 0.01 . 1 . . . . B 31 DG H2' . 36003 1
156 . 2 . 2 15 15 DG H8 H 1 7.221 0.01 . 1 . . . . B 31 DG H8 . 36003 1
157 . 2 . 2 16 16 DC H5 H 1 5.937 0.01 . 1 . . . . B 32 DC H5 . 36003 1
158 . 2 . 2 16 16 DC H6 H 1 7.652 0.01 . 1 . . . . B 32 DC H6 . 36003 1
stop_
save_