Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50346
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Chemical shift list'
_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 .
_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
12 NOESY-JR[15N]-Amino . . . 50346 2
13 HSQC[15N] . . . 50346 2
14 HSQC[15N]-2J . . . 50346 2
15 HSQC[15N]-2J . . . 50346 2
16 TROSY[15N] . . . 50346 2
17 HNN-COSY[15N] . . . 50346 2
18 HSQC[15N]-Amino . . . 50346 2
19 TOCSY . . . 50346 2
20 HNN-COSY[15N] . . . 50346 2
21 '2D HSQC HC' . . . 50346 2
22 NOESY[15N]-Imino . . . 50346 2
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
2 $software_2 . . 50346 2
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 12.820 0.009 . . . . . . . -1 G H1 . 50346 2
2 . 1 . 1 1 1 G C6 C 13 162.409 0.000 . . . . . . . -1 G C6 . 50346 2
3 . 1 . 1 1 1 G N1 N 15 147.345 0.000 . . . . . . . -1 G N1 . 50346 2
4 . 1 . 1 2 2 G H1 H 1 12.902 0.003 . . . . . . . 188 G H1 . 50346 2
5 . 1 . 1 2 2 G H8 H 1 7.563 0.000 . . . . . . . 188 G H8 . 50346 2
6 . 1 . 1 2 2 G C2 C 13 156.437 0.000 . . . . . . . 188 G C2 . 50346 2
7 . 1 . 1 2 2 G C6 C 13 161.638 0.000 . . . . . . . 188 G C6 . 50346 2
8 . 1 . 1 2 2 G C8 C 13 136.667 0.000 . . . . . . . 188 G C8 . 50346 2
9 . 1 . 1 2 2 G N1 N 15 147.799 0.005 . . . . . . . 188 G N1 . 50346 2
10 . 1 . 1 3 3 G H1 H 1 13.304 0.003 . . . . . . . 189 G H1 . 50346 2
11 . 1 . 1 3 3 G H8 H 1 7.270 0.000 . . . . . . . 189 G H8 . 50346 2
12 . 1 . 1 3 3 G C2 C 13 156.950 0.000 . . . . . . . 189 G C2 . 50346 2
13 . 1 . 1 3 3 G C6 C 13 161.723 0.000 . . . . . . . 189 G C6 . 50346 2
14 . 1 . 1 3 3 G C8 C 13 135.866 0.004 . . . . . . . 189 G C8 . 50346 2
15 . 1 . 1 3 3 G N1 N 15 148.927 0.001 . . . . . . . 189 G N1 . 50346 2
16 . 1 . 1 4 4 C H6 H 1 7.607 0.000 . . . . . . . 190 C H6 . 50346 2
17 . 1 . 1 4 4 C C6 C 13 140.938 0.000 . . . . . . . 190 C C6 . 50346 2
18 . 1 . 1 4 4 C N3 N 15 197.435 0.000 . . . . . . . 190 C N3 . 50346 2
19 . 1 . 1 5 5 U H3 H 1 13.577 0.001 . . . . . . . 191 U H3 . 50346 2
20 . 1 . 1 5 5 U C2 C 13 152.702 0.000 . . . . . . . 191 U C2 . 50346 2
21 . 1 . 1 5 5 U C4 C 13 169.608 0.000 . . . . . . . 191 U C4 . 50346 2
22 . 1 . 1 5 5 U C6 C 13 141.540 0.000 . . . . . . . 191 U C6 . 50346 2
23 . 1 . 1 5 5 U N3 N 15 162.208 0.008 . . . . . . . 191 U N3 . 50346 2
24 . 1 . 1 6 6 G H1 H 1 12.539 0.002 . . . . . . . 192 G H1 . 50346 2
25 . 1 . 1 6 6 G H8 H 1 7.797 0.000 . . . . . . . 192 G H8 . 50346 2
26 . 1 . 1 6 6 G C2 C 13 156.529 0.000 . . . . . . . 192 G C2 . 50346 2
27 . 1 . 1 6 6 G C6 C 13 161.324 0.000 . . . . . . . 192 G C6 . 50346 2
28 . 1 . 1 6 6 G C8 C 13 136.334 0.008 . . . . . . . 192 G C8 . 50346 2
29 . 1 . 1 6 6 G N1 N 15 147.522 0.004 . . . . . . . 192 G N1 . 50346 2
30 . 1 . 1 7 7 C H6 H 1 7.460 0.000 . . . . . . . 193 C H6 . 50346 2
31 . 1 . 1 7 7 C H41 H 1 8.247 0.000 . . . . . . . 193 C H41 . 50346 2
32 . 1 . 1 7 7 C H42 H 1 7.010 0.000 . . . . . . . 193 C H42 . 50346 2
33 . 1 . 1 7 7 C C6 C 13 140.406 0.000 . . . . . . . 193 C C6 . 50346 2
34 . 1 . 1 7 7 C N3 N 15 196.178 0.000 . . . . . . . 193 C N3 . 50346 2
35 . 1 . 1 8 8 U H3 H 1 11.341 0.001 . . . . . . . 194 U H3 . 50346 2
36 . 1 . 1 8 8 U H6 H 1 7.750 0.000 . . . . . . . 194 U H6 . 50346 2
37 . 1 . 1 8 8 U C2 C 13 154.323 0.000 . . . . . . . 194 U C2 . 50346 2
38 . 1 . 1 8 8 U C4 C 13 167.143 0.000 . . . . . . . 194 U C4 . 50346 2
39 . 1 . 1 8 8 U C6 C 13 140.946 0.012 . . . . . . . 194 U C6 . 50346 2
40 . 1 . 1 9 9 U H6 H 1 7.810 0.000 . . . . . . . 195 U H6 . 50346 2
41 . 1 . 1 9 9 U C6 C 13 142.611 0.000 . . . . . . . 195 U C6 . 50346 2
42 . 1 . 1 10 10 A H2 H 1 7.658 0.000 . . . . . . . 196 A H2 . 50346 2
43 . 1 . 1 10 10 A H8 H 1 8.388 0.000 . . . . . . . 196 A H8 . 50346 2
44 . 1 . 1 10 10 A C8 C 13 140.973 0.000 . . . . . . . 196 A C8 . 50346 2
45 . 1 . 1 10 10 A N1 N 15 222.709 0.000 . . . . . . . 196 A N1 . 50346 2
46 . 1 . 1 11 11 C H6 H 1 7.533 0.000 . . . . . . . 197 C H6 . 50346 2
47 . 1 . 1 11 11 C C6 C 13 140.683 0.000 . . . . . . . 197 C C6 . 50346 2
48 . 1 . 1 11 11 C N3 N 15 196.996 0.000 . . . . . . . 197 C N3 . 50346 2
49 . 1 . 1 12 12 G H1 H 1 12.586 0.004 . . . . . . . 198 G H1 . 50346 2
50 . 1 . 1 12 12 G C2 C 13 155.760 0.000 . . . . . . . 198 G C2 . 50346 2
51 . 1 . 1 12 12 G C6 C 13 161.305 0.000 . . . . . . . 198 G C6 . 50346 2
52 . 1 . 1 12 12 G C8 C 13 136.085 0.000 . . . . . . . 198 G C8 . 50346 2
53 . 1 . 1 12 12 G N1 N 15 146.906 0.007 . . . . . . . 198 G N1 . 50346 2
54 . 1 . 1 13 13 G H1 H 1 13.423 0.001 . . . . . . . 199 G H1 . 50346 2
55 . 1 . 1 13 13 G H8 H 1 7.235 0.000 . . . . . . . 199 G H8 . 50346 2
56 . 1 . 1 13 13 G C2 C 13 156.899 0.000 . . . . . . . 199 G C2 . 50346 2
57 . 1 . 1 13 13 G C6 C 13 161.963 0.000 . . . . . . . 199 G C6 . 50346 2
58 . 1 . 1 13 13 G C8 C 13 136.197 0.011 . . . . . . . 199 G C8 . 50346 2
59 . 1 . 1 13 13 G N1 N 15 148.674 0.001 . . . . . . . 199 G N1 . 50346 2
60 . 1 . 1 15 15 U H6 H 1 7.941 0.000 . . . . . . . 201 U H6 . 50346 2
61 . 1 . 1 15 15 U C6 C 13 143.301 0.000 . . . . . . . 201 U C6 . 50346 2
62 . 1 . 1 16 16 U H6 H 1 7.869 0.000 . . . . . . . 202 U H6 . 50346 2
63 . 1 . 1 16 16 U C6 C 13 144.349 0.000 . . . . . . . 202 U C6 . 50346 2
64 . 1 . 1 17 17 C H6 H 1 7.593 0.000 . . . . . . . 203 C H6 . 50346 2
65 . 1 . 1 17 17 C C6 C 13 143.024 0.000 . . . . . . . 203 C C6 . 50346 2
66 . 1 . 1 18 18 G H8 H 1 7.883 0.000 . . . . . . . 204 G H8 . 50346 2
67 . 1 . 1 18 18 G C8 C 13 142.088 0.000 . . . . . . . 204 G C8 . 50346 2
68 . 1 . 1 20 20 C N3 N 15 197.771 0.000 . . . . . . . 206 C N3 . 50346 2
69 . 1 . 1 21 21 C H6 H 1 7.807 0.000 . . . . . . . 207 C H6 . 50346 2
70 . 1 . 1 21 21 C C6 C 13 140.923 0.000 . . . . . . . 207 C C6 . 50346 2
71 . 1 . 1 21 21 C N3 N 15 195.928 0.000 . . . . . . . 207 C N3 . 50346 2
72 . 1 . 1 22 22 G H1 H 1 12.849 0.006 . . . . . . . 208 G H1 . 50346 2
73 . 1 . 1 22 22 G C2 C 13 156.366 0.000 . . . . . . . 208 G C2 . 50346 2
74 . 1 . 1 22 22 G C6 C 13 161.434 0.000 . . . . . . . 208 G C6 . 50346 2
75 . 1 . 1 22 22 G C8 C 13 136.184 0.000 . . . . . . . 208 G C8 . 50346 2
76 . 1 . 1 22 22 G N1 N 15 147.320 0.000 . . . . . . . 208 G N1 . 50346 2
77 . 1 . 1 23 23 U H3 H 1 13.783 0.003 . . . . . . . 209 U H3 . 50346 2
78 . 1 . 1 23 23 U H6 H 1 7.588 0.000 . . . . . . . 209 U H6 . 50346 2
79 . 1 . 1 23 23 U C2 C 13 152.770 0.000 . . . . . . . 209 U C2 . 50346 2
80 . 1 . 1 23 23 U C4 C 13 168.719 0.000 . . . . . . . 209 U C4 . 50346 2
81 . 1 . 1 23 23 U C6 C 13 140.991 0.012 . . . . . . . 209 U C6 . 50346 2
82 . 1 . 1 23 23 U N3 N 15 161.618 0.014 . . . . . . . 209 U N3 . 50346 2
83 . 1 . 1 24 24 G H8 H 1 7.738 0.000 . . . . . . . 210 G H8 . 50346 2
84 . 1 . 1 24 24 G C8 C 13 137.711 0.000 . . . . . . . 210 G C8 . 50346 2
85 . 1 . 1 25 25 U H6 H 1 7.645 0.000 . . . . . . . 211 U H6 . 50346 2
86 . 1 . 1 25 25 U C6 C 13 142.719 0.000 . . . . . . . 211 U C6 . 50346 2
87 . 1 . 1 26 26 U H6 H 1 7.908 0.000 . . . . . . . 212 U H6 . 50346 2
88 . 1 . 1 26 26 U C6 C 13 143.162 0.000 . . . . . . . 212 U C6 . 50346 2
89 . 1 . 1 27 27 G H1 H 1 13.187 0.007 . . . . . . . 213 G H1 . 50346 2
90 . 1 . 1 27 27 G H8 H 1 7.849 0.000 . . . . . . . 213 G H8 . 50346 2
91 . 1 . 1 27 27 G C2 C 13 157.184 0.000 . . . . . . . 213 G C2 . 50346 2
92 . 1 . 1 27 27 G C6 C 13 161.902 0.000 . . . . . . . 213 G C6 . 50346 2
93 . 1 . 1 27 27 G C8 C 13 136.805 0.000 . . . . . . . 213 G C8 . 50346 2
94 . 1 . 1 27 27 G N1 N 15 148.558 0.002 . . . . . . . 213 G N1 . 50346 2
95 . 1 . 1 28 28 C H6 H 1 7.613 0.000 . . . . . . . 214 C H6 . 50346 2
96 . 1 . 1 28 28 C C6 C 13 141.267 0.000 . . . . . . . 214 C C6 . 50346 2
97 . 1 . 1 28 28 C N3 N 15 197.022 0.000 . . . . . . . 214 C N3 . 50346 2
98 . 1 . 1 29 29 A H8 H 1 8.062 0.000 . . . . . . . 215 A H8 . 50346 2
99 . 1 . 1 29 29 A C8 C 13 139.470 0.000 . . . . . . . 215 A C8 . 50346 2
100 . 1 . 1 29 29 A N1 N 15 220.603 0.000 . . . . . . . 215 A N1 . 50346 2
101 . 1 . 1 30 30 G H1 H 1 13.470 0.002 . . . . . . . 216 G H1 . 50346 2
102 . 1 . 1 30 30 G H8 H 1 7.356 0.000 . . . . . . . 216 G H8 . 50346 2
103 . 1 . 1 30 30 G C2 C 13 157.059 0.000 . . . . . . . 216 G C2 . 50346 2
104 . 1 . 1 30 30 G C6 C 13 161.503 0.000 . . . . . . . 216 G C6 . 50346 2
105 . 1 . 1 30 30 G C8 C 13 135.700 0.005 . . . . . . . 216 G C8 . 50346 2
106 . 1 . 1 30 30 G N1 N 15 148.466 0.010 . . . . . . . 216 G N1 . 50346 2
107 . 1 . 1 31 31 C H6 H 1 7.643 0.000 . . . . . . . 217 C H6 . 50346 2
108 . 1 . 1 31 31 C C6 C 13 140.792 0.000 . . . . . . . 217 C C6 . 50346 2
109 . 1 . 1 31 31 C N3 N 15 197.822 0.000 . . . . . . . 217 C N3 . 50346 2
110 . 1 . 1 32 32 C H6 H 1 7.775 0.000 . . . . . . . 218 C H6 . 50346 2
111 . 1 . 1 32 32 C C6 C 13 141.408 0.000 . . . . . . . 218 C C6 . 50346 2
112 . 1 . 1 32 32 C N3 N 15 197.630 0.000 . . . . . . . 218 C N3 . 50346 2
113 . 1 . 1 33 33 C N3 N 15 196.698 0.000 . . . . . . . 1 C N3 . 50346 2
stop_
save_