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 51138
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name assigned_chemical_shifts_283K
_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 .
_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 '2D 1H-15N HNN COSY' . . . 51138 2
2 '2D 1H-1H NOESY' . . . 51138 2
3 '2D 1H-1H NOESY' . . . 51138 2
4 '2D 1H-15N HSQC NH2 only' . . . 51138 2
25 '2D 1H-15N TROSY' . . . 51138 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
1 $software_1 . . 51138 2
2 $software_2 . . 51138 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 12.906 0.006 . . . . . . . -2 G H1 . 51138 2
2 . 1 . 1 1 1 G C2 C 13 156.592 0.000 . . . . . . . -2 G C2 . 51138 2
3 . 1 . 1 1 1 G C6 C 13 161.148 0.000 . . . . . . . -2 G C6 . 51138 2
4 . 1 . 1 1 1 G N1 N 15 147.250 0.001 . . . . . . . -2 G N1 . 51138 2
5 . 1 . 1 2 2 G H1 H 1 13.335 0.002 . . . . . . . 227 G H1 . 51138 2
6 . 1 . 1 2 2 G C2 C 13 157.123 0.000 . . . . . . . 227 G C2 . 51138 2
7 . 1 . 1 2 2 G C6 C 13 160.623 0.000 . . . . . . . 227 G C6 . 51138 2
8 . 1 . 1 2 2 G N1 N 15 148.398 0.008 . . . . . . . 227 G N1 . 51138 2
9 . 1 . 1 3 3 C H5 H 1 5.272 0.003 . . . . . . . 228 C H5 . 51138 2
10 . 1 . 1 3 3 C H6 H 1 7.711 0.000 . . . . . . . 228 C H6 . 51138 2
11 . 1 . 1 3 3 C H41 H 1 8.554 0.005 . . . . . . . 228 C H41 . 51138 2
12 . 1 . 1 3 3 C H42 H 1 6.912 0.003 . . . . . . . 228 C H42 . 51138 2
13 . 1 . 1 3 3 C N3 N 15 196.056 0.000 . . . . . . . 228 C N3 . 51138 2
14 . 1 . 1 3 3 C N4 N 15 98.393 0.003 . . . . . . . 228 C N4 . 51138 2
15 . 1 . 1 4 4 A H2 H 1 7.348 0.097 . . . . . . . 229 A H2 . 51138 2
16 . 1 . 1 4 4 A H61 H 1 7.991 0.000 . . . . . . . 229 A H61 . 51138 2
17 . 1 . 1 4 4 A H62 H 1 6.390 0.000 . . . . . . . 229 A H62 . 51138 2
18 . 1 . 1 4 4 A N1 N 15 221.009 0.000 . . . . . . . 229 A N1 . 51138 2
19 . 1 . 1 5 5 C H5 H 1 5.221 0.000 . . . . . . . 230 C H5 . 51138 2
20 . 1 . 1 5 5 C H6 H 1 7.534 0.000 . . . . . . . 230 C H6 . 51138 2
21 . 1 . 1 5 5 C H41 H 1 8.297 0.004 . . . . . . . 230 C H41 . 51138 2
22 . 1 . 1 5 5 C H42 H 1 6.995 0.002 . . . . . . . 230 C H42 . 51138 2
23 . 1 . 1 5 5 C N3 N 15 196.027 0.000 . . . . . . . 230 C N3 . 51138 2
24 . 1 . 1 5 5 C N4 N 15 98.145 0.003 . . . . . . . 230 C N4 . 51138 2
25 . 1 . 1 6 6 A H2 H 1 7.389 0.001 . . . . . . . 231 A H2 . 51138 2
26 . 1 . 1 6 6 A H61 H 1 7.963 0.002 . . . . . . . 231 A H61 . 51138 2
27 . 1 . 1 6 6 A H62 H 1 6.519 0.014 . . . . . . . 231 A H62 . 51138 2
28 . 1 . 1 6 6 A N1 N 15 220.548 0.000 . . . . . . . 231 A N1 . 51138 2
29 . 1 . 1 6 6 A N6 N 15 83.750 0.001 . . . . . . . 231 A N6 . 51138 2
30 . 1 . 1 7 7 U H3 H 1 11.973 0.004 . . . . . . . 232 U H3 . 51138 2
31 . 1 . 1 7 7 U H5 H 1 5.343 0.000 . . . . . . . 232 U H5 . 51138 2
32 . 1 . 1 7 7 U H6 H 1 7.632 0.000 . . . . . . . 232 U H6 . 51138 2
33 . 1 . 1 7 7 U C2 C 13 155.120 0.000 . . . . . . . 232 U C2 . 51138 2
34 . 1 . 1 7 7 U C4 C 13 163.829 0.000 . . . . . . . 232 U C4 . 51138 2
35 . 1 . 1 7 7 U N3 N 15 158.371 0.069 . . . . . . . 232 U N3 . 51138 2
36 . 1 . 1 8 8 C H5 H 1 5.535 0.001 . . . . . . . 233 C H5 . 51138 2
37 . 1 . 1 8 8 C H6 H 1 7.866 0.000 . . . . . . . 233 C H6 . 51138 2
38 . 1 . 1 8 8 C H41 H 1 8.414 0.004 . . . . . . . 233 C H41 . 51138 2
39 . 1 . 1 8 8 C H42 H 1 6.840 0.003 . . . . . . . 233 C H42 . 51138 2
40 . 1 . 1 8 8 C N3 N 15 195.495 0.000 . . . . . . . 233 C N3 . 51138 2
41 . 1 . 1 8 8 C N4 N 15 98.133 0.004 . . . . . . . 233 C N4 . 51138 2
42 . 1 . 1 9 9 U H3 H 1 11.967 0.003 . . . . . . . 234 U H3 . 51138 2
43 . 1 . 1 9 9 U H5 H 1 5.454 0.000 . . . . . . . 234 U H5 . 51138 2
44 . 1 . 1 9 9 U H6 H 1 7.649 0.000 . . . . . . . 234 U H6 . 51138 2
45 . 1 . 1 9 9 U C2 C 13 155.548 0.000 . . . . . . . 234 U C2 . 51138 2
46 . 1 . 1 9 9 U C4 C 13 165.089 0.000 . . . . . . . 234 U C4 . 51138 2
47 . 1 . 1 9 9 U N3 N 15 157.531 0.070 . . . . . . . 234 U N3 . 51138 2
48 . 1 . 1 11 11 G H1 H 1 12.774 0.003 . . . . . . . 236 G H1 . 51138 2
49 . 1 . 1 11 11 G C2 C 13 156.392 0.000 . . . . . . . 236 G C2 . 51138 2
50 . 1 . 1 11 11 G C6 C 13 160.658 0.000 . . . . . . . 236 G C6 . 51138 2
51 . 1 . 1 11 11 G N1 N 15 147.856 0.013 . . . . . . . 236 G N1 . 51138 2
52 . 1 . 1 12 12 G H1 H 1 13.271 0.010 . . . . . . . 237 G H1 . 51138 2
53 . 1 . 1 12 12 G N1 N 15 148.572 0.001 . . . . . . . 237 G N1 . 51138 2
54 . 1 . 1 14 14 U H5 H 1 5.851 0.000 . . . . . . . 239 U H5 . 51138 2
55 . 1 . 1 14 14 U H6 H 1 7.927 0.000 . . . . . . . 239 U H6 . 51138 2
56 . 1 . 1 15 15 U H5 H 1 6.066 0.000 . . . . . . . 240 U H5 . 51138 2
57 . 1 . 1 15 15 U H6 H 1 7.885 0.000 . . . . . . . 240 U H6 . 51138 2
58 . 1 . 1 16 16 C H5 H 1 5.937 0.000 . . . . . . . 241 C H5 . 51138 2
59 . 1 . 1 16 16 C H6 H 1 7.485 0.000 . . . . . . . 241 C H6 . 51138 2
60 . 1 . 1 16 16 C H41 H 1 7.070 0.000 . . . . . . . 241 C H41 . 51138 2
61 . 1 . 1 16 16 C H42 H 1 6.728 0.000 . . . . . . . 241 C H42 . 51138 2
62 . 1 . 1 16 16 C N4 N 15 95.084 0.012 . . . . . . . 241 C N4 . 51138 2
63 . 1 . 1 17 17 G H1 H 1 10.674 0.002 . . . . . . . 242 G H1 . 51138 2
64 . 1 . 1 17 17 G H22 H 1 6.746 0.003 . . . . . . . 242 G H22 . 51138 2
65 . 1 . 1 17 17 G N1 N 15 144.166 0.093 . . . . . . . 242 G N1 . 51138 2
66 . 1 . 1 17 17 G N2 N 15 76.345 0.000 . . . . . . . 242 G N2 . 51138 2
67 . 1 . 1 18 18 U H5 H 1 5.835 0.000 . . . . . . . 243 U H5 . 51138 2
68 . 1 . 1 18 18 U H6 H 1 7.761 0.000 . . . . . . . 243 U H6 . 51138 2
69 . 1 . 1 19 19 C H5 H 1 5.659 0.002 . . . . . . . 244 C H5 . 51138 2
70 . 1 . 1 19 19 C H6 H 1 7.622 0.000 . . . . . . . 244 C H6 . 51138 2
71 . 1 . 1 19 19 C H41 H 1 8.709 0.004 . . . . . . . 244 C H41 . 51138 2
72 . 1 . 1 19 19 C H42 H 1 7.225 0.001 . . . . . . . 244 C H42 . 51138 2
73 . 1 . 1 19 19 C N3 N 15 197.146 0.000 . . . . . . . 244 C N3 . 51138 2
74 . 1 . 1 19 19 C N4 N 15 98.020 0.004 . . . . . . . 244 C N4 . 51138 2
75 . 1 . 1 20 20 C H5 H 1 5.664 0.000 . . . . . . . 245 C H5 . 51138 2
76 . 1 . 1 20 20 C H6 H 1 7.750 0.000 . . . . . . . 245 C H6 . 51138 2
77 . 1 . 1 20 20 C H41 H 1 8.234 0.003 . . . . . . . 245 C H41 . 51138 2
78 . 1 . 1 20 20 C H42 H 1 6.962 0.006 . . . . . . . 245 C H42 . 51138 2
79 . 1 . 1 20 20 C N3 N 15 193.401 0.000 . . . . . . . 245 C N3 . 51138 2
80 . 1 . 1 20 20 C N4 N 15 97.767 0.006 . . . . . . . 245 C N4 . 51138 2
81 . 1 . 1 21 21 G H1 H 1 10.533 0.001 . . . . . . . 246 G H1 . 51138 2
82 . 1 . 1 21 21 G H22 H 1 6.104 0.002 . . . . . . . 246 G H22 . 51138 2
83 . 1 . 1 21 21 G C2 C 13 155.363 0.000 . . . . . . . 246 G C2 . 51138 2
84 . 1 . 1 21 21 G C6 C 13 160.126 0.000 . . . . . . . 246 G C6 . 51138 2
85 . 1 . 1 21 21 G N1 N 15 143.705 0.009 . . . . . . . 246 G N1 . 51138 2
86 . 1 . 1 21 21 G N2 N 15 74.905 0.000 . . . . . . . 246 G N2 . 51138 2
87 . 1 . 1 22 22 G H1 H 1 12.883 0.003 . . . . . . . 247 G H1 . 51138 2
88 . 1 . 1 22 22 G C2 C 13 156.695 0.000 . . . . . . . 247 G C2 . 51138 2
89 . 1 . 1 22 22 G C6 C 13 161.148 0.000 . . . . . . . 247 G C6 . 51138 2
90 . 1 . 1 22 22 G N1 N 15 147.985 0.046 . . . . . . . 247 G N1 . 51138 2
91 . 1 . 1 23 23 G H1 H 1 11.529 0.003 . . . . . . . 248 G H1 . 51138 2
92 . 1 . 1 23 23 G H22 H 1 6.486 0.003 . . . . . . . 248 G H22 . 51138 2
93 . 1 . 1 23 23 G C2 C 13 155.996 0.000 . . . . . . . 248 G C2 . 51138 2
94 . 1 . 1 23 23 G C6 C 13 160.472 0.000 . . . . . . . 248 G C6 . 51138 2
95 . 1 . 1 23 23 G N1 N 15 144.671 0.005 . . . . . . . 248 G N1 . 51138 2
96 . 1 . 1 23 23 G N2 N 15 74.129 0.000 . . . . . . . 248 G N2 . 51138 2
97 . 1 . 1 24 24 U H3 H 1 13.688 0.003 . . . . . . . 249 U H3 . 51138 2
98 . 1 . 1 24 24 U H5 H 1 5.287 0.000 . . . . . . . 249 U H5 . 51138 2
99 . 1 . 1 24 24 U H6 H 1 7.636 0.000 . . . . . . . 249 U H6 . 51138 2
100 . 1 . 1 24 24 U C2 C 13 153.849 0.000 . . . . . . . 249 U C2 . 51138 2
101 . 1 . 1 24 24 U C4 C 13 166.050 0.000 . . . . . . . 249 U C4 . 51138 2
102 . 1 . 1 24 24 U N3 N 15 162.468 0.006 . . . . . . . 249 U N3 . 51138 2
103 . 1 . 1 25 25 G H1 H 1 12.518 0.003 . . . . . . . 250 G H1 . 51138 2
104 . 1 . 1 25 25 G C2 C 13 156.621 0.000 . . . . . . . 250 G C2 . 51138 2
105 . 1 . 1 25 25 G C6 C 13 160.450 0.000 . . . . . . . 250 G C6 . 51138 2
106 . 1 . 1 25 25 G N1 N 15 147.245 0.016 . . . . . . . 250 G N1 . 51138 2
107 . 1 . 1 26 26 U H3 H 1 13.644 0.005 . . . . . . . 251 U H3 . 51138 2
108 . 1 . 1 26 26 U H5 H 1 5.096 0.000 . . . . . . . 251 U H5 . 51138 2
109 . 1 . 1 26 26 U H6 H 1 7.773 0.000 . . . . . . . 251 U H6 . 51138 2
110 . 1 . 1 26 26 U C2 C 13 153.809 0.000 . . . . . . . 251 U C2 . 51138 2
111 . 1 . 1 26 26 U C4 C 13 166.023 0.000 . . . . . . . 251 U C4 . 51138 2
112 . 1 . 1 26 26 U N3 N 15 162.090 0.012 . . . . . . . 251 U N3 . 51138 2
113 . 1 . 1 27 27 G H1 H 1 12.616 0.003 . . . . . . . 252 G H1 . 51138 2
114 . 1 . 1 27 27 G C2 C 13 156.684 0.000 . . . . . . . 252 G C2 . 51138 2
115 . 1 . 1 27 27 G C6 C 13 160.418 0.000 . . . . . . . 252 G C6 . 51138 2
116 . 1 . 1 27 27 G N1 N 15 147.831 0.010 . . . . . . . 252 G N1 . 51138 2
117 . 1 . 1 28 28 C H5 H 1 5.233 0.002 . . . . . . . +1 C H5 . 51138 2
118 . 1 . 1 28 28 C H6 H 1 7.648 0.000 . . . . . . . +1 C H6 . 51138 2
119 . 1 . 1 28 28 C H41 H 1 8.521 0.002 . . . . . . . +1 C H41 . 51138 2
120 . 1 . 1 28 28 C H42 H 1 6.945 0.003 . . . . . . . +1 C H42 . 51138 2
121 . 1 . 1 28 28 C N3 N 15 197.101 0.000 . . . . . . . +1 C N3 . 51138 2
122 . 1 . 1 28 28 C N4 N 15 99.463 0.000 . . . . . . . +1 C N4 . 51138 2
123 . 1 . 1 29 29 C H5 H 1 5.537 0.000 . . . . . . . +2 C H5 . 51138 2
124 . 1 . 1 29 29 C H6 H 1 7.467 0.000 . . . . . . . +2 C H6 . 51138 2
125 . 1 . 1 29 29 C H41 H 1 8.578 0.003 . . . . . . . +2 C H41 . 51138 2
126 . 1 . 1 29 29 C H42 H 1 7.127 0.003 . . . . . . . +2 C H42 . 51138 2
127 . 1 . 1 29 29 C N3 N 15 195.371 0.000 . . . . . . . +2 C N3 . 51138 2
128 . 1 . 1 29 29 C N4 N 15 99.448 0.008 . . . . . . . +2 C N4 . 51138 2
stop_
save_