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 50349
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Chemical shift list'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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 1H-JR[15N] . . . 50349 1
2 NOESY[15N]-Imino . . . 50349 1
3 HSQC[15N]-Amino . . . 50349 1
4 HSQC[15N]-2J . . . 50349 1
5 TROSY[15N] . . . 50349 1
6 NOESY-JR[15N]-Amino . . . 50349 1
7 TOCSY . . . 50349 1
8 HSQC[13C]-Aromaten . . . 50349 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
2 $software_2 . . 50349 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 12.800 0.004 . 1 . . . . . -1 G H1 . 50349 1
2 . 1 . 1 1 1 G H8 H 1 8.185 0.002 . 1 . . . . . -1 G H8 . 50349 1
3 . 1 . 1 1 1 G C2 C 13 156.616 0.000 . 1 . . . . . -1 G C2 . 50349 1
4 . 1 . 1 1 1 G C6 C 13 160.921 0.000 . 1 . . . . . -1 G C6 . 50349 1
5 . 1 . 1 1 1 G N1 N 15 147.298 0.000 . 1 . . . . . -1 G N1 . 50349 1
6 . 1 . 1 1 1 G N7 N 15 231.339 0.000 . 1 . . . . . -1 G N7 . 50349 1
7 . 1 . 1 1 1 G N9 N 15 169.232 0.000 . 1 . . . . . -1 G N9 . 50349 1
8 . 1 . 1 2 2 G H1 H 1 12.891 0.007 . 1 . . . . . 7 G H1 . 50349 1
9 . 1 . 1 2 2 G H8 H 1 7.563 0.000 . 1 . . . . . 7 G H8 . 50349 1
10 . 1 . 1 2 2 G C2 C 13 156.660 0.000 . 1 . . . . . 7 G C2 . 50349 1
11 . 1 . 1 2 2 G C6 C 13 160.681 0.000 . 1 . . . . . 7 G C6 . 50349 1
12 . 1 . 1 2 2 G N1 N 15 147.614 0.092 . 1 . . . . . 7 G N1 . 50349 1
13 . 1 . 1 2 2 G N2 N 15 74.259 0.000 . 1 . . . . . 7 G N2 . 50349 1
14 . 1 . 1 2 2 G N7 N 15 233.773 0.000 . 1 . . . . . 7 G N7 . 50349 1
15 . 1 . 1 2 2 G N9 N 15 169.928 0.000 . 1 . . . . . 7 G N9 . 50349 1
16 . 1 . 1 3 3 G H1 H 1 13.301 0.008 . 1 . . . . . 8 G H1 . 50349 1
17 . 1 . 1 3 3 G H8 H 1 7.216 0.001 . 1 . . . . . 8 G H8 . 50349 1
18 . 1 . 1 3 3 G C2 C 13 156.990 0.000 . 1 . . . . . 8 G C2 . 50349 1
19 . 1 . 1 3 3 G C6 C 13 160.795 0.000 . 1 . . . . . 8 G C6 . 50349 1
20 . 1 . 1 3 3 G N1 N 15 148.574 0.039 . 1 . . . . . 8 G N1 . 50349 1
21 . 1 . 1 3 3 G N2 N 15 74.761 0.000 . 1 . . . . . 8 G N2 . 50349 1
22 . 1 . 1 3 3 G N7 N 15 234.768 0.000 . 1 . . . . . 8 G N7 . 50349 1
23 . 1 . 1 3 3 G N9 N 15 169.207 0.000 . 1 . . . . . 8 G N9 . 50349 1
24 . 1 . 1 4 4 U H3 H 1 14.312 0.005 . 1 . . . . . 9 U H3 . 50349 1
25 . 1 . 1 4 4 U C2 C 13 154.116 0.000 . 1 . . . . . 9 U C2 . 50349 1
26 . 1 . 1 4 4 U C4 C 13 166.263 0.000 . 1 . . . . . 9 U C4 . 50349 1
27 . 1 . 1 4 4 U N1 N 15 146.056 0.000 . 1 . . . . . 9 U N1 . 50349 1
28 . 1 . 1 4 4 U N3 N 15 162.441 0.010 . 1 . . . . . 9 U N3 . 50349 1
29 . 1 . 1 5 5 U H3 H 1 13.806 0.008 . 1 . . . . . 10 U H3 . 50349 1
30 . 1 . 1 5 5 U C2 C 13 154.062 0.000 . 1 . . . . . 10 U C2 . 50349 1
31 . 1 . 1 5 5 U C4 C 13 166.268 0.000 . 1 . . . . . 10 U C4 . 50349 1
32 . 1 . 1 5 5 U N1 N 15 146.324 0.000 . 1 . . . . . 10 U N1 . 50349 1
33 . 1 . 1 5 5 U N3 N 15 162.617 0.029 . 1 . . . . . 10 U N3 . 50349 1
34 . 1 . 1 6 6 U H3 H 1 13.098 0.008 . 1 . . . . . 11 U H3 . 50349 1
35 . 1 . 1 6 6 U C2 C 13 153.854 0.000 . 1 . . . . . 11 U C2 . 50349 1
36 . 1 . 1 6 6 U C4 C 13 166.161 0.000 . 1 . . . . . 11 U C4 . 50349 1
37 . 1 . 1 6 6 U N3 N 15 161.801 0.015 . 1 . . . . . 11 U N3 . 50349 1
38 . 1 . 1 7 7 A H2 H 1 7.357 0.000 . 1 . . . . . 12 A H2 . 50349 1
39 . 1 . 1 7 7 A H8 H 1 8.180 0.000 . 1 . . . . . 12 A H8 . 50349 1
40 . 1 . 1 7 7 A N1 N 15 216.136 0.000 . 1 . . . . . 12 A N1 . 50349 1
41 . 1 . 1 7 7 A N7 N 15 233.283 0.000 . 1 . . . . . 12 A N7 . 50349 1
42 . 1 . 1 7 7 A N9 N 15 171.613 0.000 . 1 . . . . . 12 A N9 . 50349 1
43 . 1 . 1 9 9 A H2 H 1 7.178 0.001 . 1 . . . . . 14 A H2 . 50349 1
44 . 1 . 1 9 9 A H8 H 1 8.246 0.001 . 1 . . . . . 14 A H8 . 50349 1
45 . 1 . 1 9 9 A N1 N 15 222.381 0.346 . 1 . . . . . 14 A N1 . 50349 1
46 . 1 . 1 9 9 A N3 N 15 211.997 0.000 . 1 . . . . . 14 A N3 . 50349 1
47 . 1 . 1 9 9 A N6 N 15 84.061 0.013 . 1 . . . . . 14 A N6 . 50349 1
48 . 1 . 1 9 9 A N7 N 15 229.692 0.000 . 1 . . . . . 14 A N7 . 50349 1
49 . 1 . 1 9 9 A N9 N 15 171.221 0.000 . 1 . . . . . 14 A N9 . 50349 1
50 . 1 . 1 10 10 C H6 H 1 7.519 0.000 . 1 . . . . . 15 C H6 . 50349 1
51 . 1 . 1 10 10 C H41 H 1 8.405 0.000 . 2 . . . . . 15 C H41 . 50349 1
52 . 1 . 1 10 10 C H42 H 1 6.984 0.001 . 2 . . . . . 15 C H42 . 50349 1
53 . 1 . 1 10 10 C N3 N 15 197.231 0.000 . 1 . . . . . 15 C N3 . 50349 1
54 . 1 . 1 10 10 C N4 N 15 98.974 0.019 . 1 . . . . . 15 C N4 . 50349 1
55 . 1 . 1 11 11 C H6 H 1 7.639 0.000 . 1 . . . . . 16 C H6 . 50349 1
56 . 1 . 1 11 11 C H41 H 1 8.446 0.000 . 2 . . . . . 16 C H41 . 50349 1
57 . 1 . 1 11 11 C H42 H 1 6.911 0.001 . 2 . . . . . 16 C H42 . 50349 1
58 . 1 . 1 11 11 C N3 N 15 195.822 0.000 . 1 . . . . . 16 C N3 . 50349 1
59 . 1 . 1 11 11 C N4 N 15 98.378 0.005 . 1 . . . . . 16 C N4 . 50349 1
60 . 1 . 1 17 17 A H2 H 1 7.840 0.000 . 1 . . . . . 22 A H2 . 50349 1
61 . 1 . 1 17 17 A H8 H 1 8.294 0.001 . 1 . . . . . 22 A H8 . 50349 1
62 . 1 . 1 17 17 A N1 N 15 222.722 0.000 . 1 . . . . . 22 A N1 . 50349 1
63 . 1 . 1 17 17 A N3 N 15 214.501 0.000 . 1 . . . . . 22 A N3 . 50349 1
64 . 1 . 1 17 17 A N7 N 15 230.846 0.000 . 1 . . . . . 22 A N7 . 50349 1
65 . 1 . 1 17 17 A N9 N 15 170.700 0.000 . 1 . . . . . 22 A N9 . 50349 1
66 . 1 . 1 18 18 G H1 H 1 12.778 0.008 . 1 . . . . . 23 G H1 . 50349 1
67 . 1 . 1 18 18 G H8 H 1 7.224 0.000 . 1 . . . . . 23 G H8 . 50349 1
68 . 1 . 1 18 18 G C2 C 13 156.617 0.000 . 1 . . . . . 23 G C2 . 50349 1
69 . 1 . 1 18 18 G C6 C 13 160.828 0.000 . 1 . . . . . 23 G C6 . 50349 1
70 . 1 . 1 18 18 G N1 N 15 147.557 0.021 . 1 . . . . . 23 G N1 . 50349 1
71 . 1 . 1 18 18 G N2 N 15 74.861 0.000 . 1 . . . . . 23 G N2 . 50349 1
72 . 1 . 1 18 18 G N7 N 15 233.677 0.000 . 1 . . . . . 23 G N7 . 50349 1
73 . 1 . 1 19 19 G H1 H 1 13.225 0.011 . 1 . . . . . 24 G H1 . 50349 1
74 . 1 . 1 19 19 G H8 H 1 7.244 0.002 . 1 . . . . . 24 G H8 . 50349 1
75 . 1 . 1 19 19 G C2 C 13 156.979 0.000 . 1 . . . . . 24 G C2 . 50349 1
76 . 1 . 1 19 19 G C6 C 13 160.665 0.000 . 1 . . . . . 24 G C6 . 50349 1
77 . 1 . 1 19 19 G N1 N 15 148.313 0.015 . 1 . . . . . 24 G N1 . 50349 1
78 . 1 . 1 19 19 G N2 N 15 74.650 0.000 . 1 . . . . . 24 G N2 . 50349 1
79 . 1 . 1 19 19 G N7 N 15 234.359 0.000 . 1 . . . . . 24 G N7 . 50349 1
80 . 1 . 1 19 19 G N9 N 15 169.352 0.000 . 1 . . . . . 24 G N9 . 50349 1
81 . 1 . 1 20 20 U H3 H 1 13.461 0.006 . 1 . . . . . 25 U H3 . 50349 1
82 . 1 . 1 20 20 U C2 C 13 153.806 0.000 . 1 . . . . . 25 U C2 . 50349 1
83 . 1 . 1 20 20 U C4 C 13 166.342 0.000 . 1 . . . . . 25 U C4 . 50349 1
84 . 1 . 1 20 20 U N3 N 15 161.627 0.008 . 1 . . . . . 25 U N3 . 50349 1
85 . 1 . 1 21 21 A H2 H 1 6.878 0.000 . 1 . . . . . 26 A H2 . 50349 1
86 . 1 . 1 21 21 A H8 H 1 8.096 0.000 . 1 . . . . . 26 A H8 . 50349 1
87 . 1 . 1 21 21 A N1 N 15 223.186 0.000 . 1 . . . . . 26 A N1 . 50349 1
88 . 1 . 1 21 21 A N3 N 15 213.742 0.000 . 1 . . . . . 26 A N3 . 50349 1
89 . 1 . 1 21 21 A N7 N 15 231.882 0.000 . 1 . . . . . 26 A N7 . 50349 1
90 . 1 . 1 21 21 A N9 N 15 169.828 0.000 . 1 . . . . . 26 A N9 . 50349 1
91 . 1 . 1 22 22 A H2 H 1 7.709 0.000 . 1 . . . . . 27 A H2 . 50349 1
92 . 1 . 1 22 22 A H8 H 1 7.928 0.000 . 1 . . . . . 27 A H8 . 50349 1
93 . 1 . 1 22 22 A N1 N 15 225.633 0.000 . 1 . . . . . 27 A N1 . 50349 1
94 . 1 . 1 22 22 A N3 N 15 214.935 0.000 . 1 . . . . . 27 A N3 . 50349 1
95 . 1 . 1 22 22 A N7 N 15 231.272 0.000 . 1 . . . . . 27 A N7 . 50349 1
96 . 1 . 1 22 22 A N9 N 15 168.641 0.000 . 1 . . . . . 27 A N9 . 50349 1
97 . 1 . 1 24 24 A H2 H 1 6.639 0.000 . 1 . . . . . 29 A H2 . 50349 1
98 . 1 . 1 24 24 A H8 H 1 8.298 0.000 . 1 . . . . . 29 A H8 . 50349 1
99 . 1 . 1 24 24 A H61 H 1 7.496 0.000 . 2 . . . . . 29 A H61 . 50349 1
100 . 1 . 1 24 24 A H62 H 1 6.652 0.005 . 2 . . . . . 29 A H62 . 50349 1
101 . 1 . 1 24 24 A N1 N 15 220.739 0.401 . 1 . . . . . 29 A N1 . 50349 1
102 . 1 . 1 24 24 A N3 N 15 212.932 0.000 . 1 . . . . . 29 A N3 . 50349 1
103 . 1 . 1 24 24 A N6 N 15 82.162 0.071 . 1 . . . . . 29 A N6 . 50349 1
104 . 1 . 1 24 24 A N9 N 15 169.274 0.000 . 1 . . . . . 29 A N9 . 50349 1
105 . 1 . 1 25 25 A H2 H 1 7.111 0.001 . 1 . . . . . 30 A H2 . 50349 1
106 . 1 . 1 25 25 A H8 H 1 7.879 0.000 . 1 . . . . . 30 A H8 . 50349 1
107 . 1 . 1 25 25 A H61 H 1 7.938 0.007 . 2 . . . . . 30 A H61 . 50349 1
108 . 1 . 1 25 25 A H62 H 1 6.634 0.000 . 2 . . . . . 30 A H62 . 50349 1
109 . 1 . 1 25 25 A N1 N 15 220.296 0.345 . 1 . . . . . 30 A N1 . 50349 1
110 . 1 . 1 25 25 A N3 N 15 211.419 0.000 . 1 . . . . . 30 A N3 . 50349 1
111 . 1 . 1 25 25 A N6 N 15 84.015 0.014 . 1 . . . . . 30 A N6 . 50349 1
112 . 1 . 1 25 25 A N7 N 15 229.655 0.000 . 1 . . . . . 30 A N7 . 50349 1
113 . 1 . 1 25 25 A N9 N 15 170.300 0.000 . 1 . . . . . 30 A N9 . 50349 1
114 . 1 . 1 26 26 A H2 H 1 7.791 0.004 . 1 . . . . . 31 A H2 . 50349 1
115 . 1 . 1 26 26 A H8 H 1 7.879 0.000 . 1 . . . . . 31 A H8 . 50349 1
116 . 1 . 1 26 26 A H61 H 1 8.241 0.000 . 2 . . . . . 31 A H61 . 50349 1
117 . 1 . 1 26 26 A H62 H 1 6.675 0.000 . 2 . . . . . 31 A H62 . 50349 1
118 . 1 . 1 26 26 A N1 N 15 221.811 0.340 . 1 . . . . . 31 A N1 . 50349 1
119 . 1 . 1 26 26 A N3 N 15 211.122 0.000 . 1 . . . . . 31 A N3 . 50349 1
120 . 1 . 1 26 26 A N6 N 15 85.655 0.011 . 1 . . . . . 31 A N6 . 50349 1
121 . 1 . 1 26 26 A N7 N 15 229.878 0.000 . 1 . . . . . 31 A N7 . 50349 1
122 . 1 . 1 26 26 A N9 N 15 171.262 0.000 . 1 . . . . . 31 A N9 . 50349 1
123 . 1 . 1 27 27 C H41 H 1 8.451 0.002 . 2 . . . . . 32 C H41 . 50349 1
124 . 1 . 1 27 27 C H42 H 1 7.016 0.002 . 2 . . . . . 32 C H42 . 50349 1
125 . 1 . 1 27 27 C N3 N 15 197.176 0.000 . 1 . . . . . 32 C N3 . 50349 1
126 . 1 . 1 27 27 C N4 N 15 99.077 0.000 . 1 . . . . . 32 C N4 . 50349 1
127 . 1 . 1 28 28 C H6 H 1 7.771 0.000 . 1 . . . . . 33 C H6 . 50349 1
128 . 1 . 1 28 28 C H41 H 1 8.505 0.000 . 2 . . . . . 33 C H41 . 50349 1
129 . 1 . 1 28 28 C N3 N 15 196.724 0.000 . 1 . . . . . 33 C N3 . 50349 1
130 . 1 . 1 28 28 C N4 N 15 98.335 0.009 . 1 . . . . . 33 C N4 . 50349 1
131 . 1 . 1 29 29 C H42 H 1 7.140 0.000 . 2 . . . . . 1 C H42 . 50349 1
stop_
save_