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 50340
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name CS_List1
_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
3 TROSY[15N] . . . 50340 1
5 1H-JR[15N] . . . 50340 1
10 HNN-COSY[15N] . . . 50340 1
13 HSQC[15N]-2J . . . 50340 1
14 NOESY[15N]-Imino . . . 50340 1
15 HSQC[15N]-Amino . . . 50340 1
16 NOESY-JR[15N]-Amino . . . 50340 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
1 $software_1 . . 50340 1
2 $software_2 . . 50340 1
3 $software_3 . . 50340 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 12.012 0.002 . 1 . . . . . -1 G H1 . 50340 1
2 . 1 . 1 1 1 G N1 N 15 147.141 0.049 . 1 . . . . . -1 G N1 . 50340 1
3 . 1 . 1 2 2 G H1 H 1 12.433 0.031 . 1 . . . . . -2 G H1 . 50340 1
4 . 1 . 1 2 2 G N1 N 15 147.613 0.044 . 1 . . . . . -2 G N1 . 50340 1
5 . 1 . 1 3 3 G H1 H 1 12.144 0.004 . 1 . . . . . 265 G H1 . 50340 1
6 . 1 . 1 3 3 G N1 N 15 147.462 0.013 . 1 . . . . . 265 G N1 . 50340 1
7 . 1 . 1 4 4 A H2 H 1 7.515 0.000 . 1 . . . . . 266 A H2 . 50340 1
8 . 1 . 1 4 4 A H61 H 1 8.236 0.000 . 1 . . . . . 266 A H61 . 50340 1
9 . 1 . 1 4 4 A H62 H 1 6.541 0.000 . 1 . . . . . 266 A H62 . 50340 1
10 . 1 . 1 4 4 A N1 N 15 222.705 0.003 . 1 . . . . . 266 A N1 . 50340 1
11 . 1 . 1 4 4 A N3 N 15 212.897 0.000 . 1 . . . . . 266 A N3 . 50340 1
12 . 1 . 1 4 4 A N6 N 15 83.415 0.013 . 1 . . . . . 266 A N6 . 50340 1
13 . 1 . 1 5 5 U H3 H 1 13.360 0.002 . 1 . . . . . 267 U H3 . 50340 1
14 . 1 . 1 5 5 U N3 N 15 162.663 0.011 . 1 . . . . . 267 U N3 . 50340 1
15 . 1 . 1 6 6 G H1 H 1 10.015 0.004 . 1 . . . . . 268 G H1 . 50340 1
16 . 1 . 1 6 6 G N1 N 15 142.507 0.004 . 1 . . . . . 268 G N1 . 50340 1
17 . 1 . 1 7 7 G H1 H 1 12.047 0.011 . 1 . . . . . 269 G H1 . 50340 1
18 . 1 . 1 7 7 G N1 N 15 146.702 0.024 . 1 . . . . . 269 G N1 . 50340 1
19 . 1 . 1 8 8 A H2 H 1 7.723 0.000 . 1 . . . . . 270 A H2 . 50340 1
20 . 1 . 1 8 8 A N1 N 15 222.659 0.009 . 1 . . . . . 270 A N1 . 50340 1
21 . 1 . 1 8 8 A N3 N 15 213.700 0.000 . 1 . . . . . 270 A N3 . 50340 1
22 . 1 . 1 9 9 G H1 H 1 13.137 0.004 . 1 . . . . . 271 G H1 . 50340 1
23 . 1 . 1 9 9 G N1 N 15 148.877 0.008 . 1 . . . . . 271 G N1 . 50340 1
24 . 1 . 1 10 10 A H2 H 1 7.310 0.001 . 1 . . . . . 272 A H2 . 50340 1
25 . 1 . 1 10 10 A N1 N 15 220.613 0.030 . 1 . . . . . 272 A N1 . 50340 1
26 . 1 . 1 10 10 A N3 N 15 212.595 0.000 . 1 . . . . . 272 A N3 . 50340 1
27 . 1 . 1 11 11 G H1 H 1 12.108 0.007 . 1 . . . . . 273 G H1 . 50340 1
28 . 1 . 1 11 11 G N1 N 15 146.536 0.009 . 1 . . . . . 273 G N1 . 50340 1
29 . 1 . 1 13 13 C H41 H 1 8.029 0.000 . 1 . . . . . 275 C H41 . 50340 1
30 . 1 . 1 13 13 C H42 H 1 7.092 0.002 . 1 . . . . . 275 C H42 . 50340 1
31 . 1 . 1 13 13 C N3 N 15 198.241 0.000 . 1 . . . . . 275 C N3 . 50340 1
32 . 1 . 1 13 13 C N4 N 15 97.406 0.040 . 1 . . . . . 275 C N4 . 50340 1
33 . 1 . 1 14 14 U H3 H 1 13.820 0.003 . 1 . . . . . 276 U H3 . 50340 1
34 . 1 . 1 14 14 U N3 N 15 162.167 0.030 . 1 . . . . . 276 U N3 . 50340 1
35 . 1 . 1 15 15 U H3 H 1 11.358 0.002 . 1 . . . . . 277 U H3 . 50340 1
36 . 1 . 1 15 15 U N3 N 15 158.264 0.043 . 1 . . . . . 277 U N3 . 50340 1
37 . 1 . 1 16 16 G H1 H 1 12.549 0.002 . 1 . . . . . 278 G H1 . 50340 1
38 . 1 . 1 16 16 G N1 N 15 148.186 0.011 . 1 . . . . . 278 G N1 . 50340 1
39 . 1 . 1 17 17 U H3 H 1 14.262 0.006 . 1 . . . . . 279 U H3 . 50340 1
40 . 1 . 1 17 17 U N3 N 15 163.114 0.410 . 1 . . . . . 279 U N3 . 50340 1
41 . 1 . 1 19 19 C H41 H 1 8.184 0.000 . 1 . . . . . 281 C H41 . 50340 1
42 . 1 . 1 19 19 C H42 H 1 6.820 0.000 . 1 . . . . . 281 C H42 . 50340 1
43 . 1 . 1 19 19 C N3 N 15 196.361 0.000 . 1 . . . . . 281 C N3 . 50340 1
44 . 1 . 1 19 19 C N4 N 15 98.094 0.029 . 1 . . . . . 281 C N4 . 50340 1
45 . 1 . 1 20 20 C H41 H 1 8.157 0.000 . 1 . . . . . 282 C H41 . 50340 1
46 . 1 . 1 20 20 C N3 N 15 197.406 0.000 . 1 . . . . . 282 C N3 . 50340 1
47 . 1 . 1 21 21 U H3 H 1 13.297 0.003 . 1 . . . . . 283 U H3 . 50340 1
48 . 1 . 1 21 21 U N3 N 15 161.983 0.018 . 1 . . . . . 283 U N3 . 50340 1
49 . 1 . 1 22 22 G H1 H 1 12.518 0.018 . 1 . . . . . 284 G H1 . 50340 1
50 . 1 . 1 22 22 G N1 N 15 147.333 0.018 . 1 . . . . . 284 G N1 . 50340 1
51 . 1 . 1 26 26 U H3 H 1 11.380 0.000 . 1 . . . . . 288 U H3 . 50340 1
52 . 1 . 1 26 26 U N3 N 15 160.391 0.002 . 1 . . . . . 288 U N3 . 50340 1
53 . 1 . 1 27 27 C H41 H 1 8.044 0.009 . 1 . . . . . 289 C H41 . 50340 1
54 . 1 . 1 27 27 C H42 H 1 6.742 0.010 . 1 . . . . . 289 C H42 . 50340 1
55 . 1 . 1 27 27 C N3 N 15 197.464 0.000 . 1 . . . . . 289 C N3 . 50340 1
56 . 1 . 1 27 27 C N4 N 15 96.679 0.010 . 1 . . . . . 289 C N4 . 50340 1
57 . 1 . 1 28 28 A H2 H 1 6.412 0.001 . 1 . . . . . 290 A H2 . 50340 1
58 . 1 . 1 28 28 A N1 N 15 219.796 0.008 . 1 . . . . . 290 A N1 . 50340 1
59 . 1 . 1 28 28 A N3 N 15 212.562 0.000 . 1 . . . . . 290 A N3 . 50340 1
60 . 1 . 1 29 29 A H2 H 1 7.373 0.001 . 1 . . . . . 291 A H2 . 50340 1
61 . 1 . 1 29 29 A N1 N 15 221.602 0.001 . 1 . . . . . 291 A N1 . 50340 1
62 . 1 . 1 29 29 A N3 N 15 210.872 0.000 . 1 . . . . . 291 A N3 . 50340 1
63 . 1 . 1 30 30 C H41 H 1 8.146 0.001 . 1 . . . . . 292 C H41 . 50340 1
64 . 1 . 1 30 30 C H42 H 1 6.718 0.000 . 1 . . . . . 292 C H42 . 50340 1
65 . 1 . 1 30 30 C N3 N 15 196.765 0.000 . 1 . . . . . 292 C N3 . 50340 1
66 . 1 . 1 30 30 C N4 N 15 97.475 0.051 . 1 . . . . . 292 C N4 . 50340 1
67 . 1 . 1 31 31 G H1 H 1 11.733 0.005 . 1 . . . . . 293 G H1 . 50340 1
68 . 1 . 1 31 31 G N1 N 15 146.235 0.012 . 1 . . . . . 293 G N1 . 50340 1
69 . 1 . 1 32 32 A H2 H 1 7.553 0.002 . 1 . . . . . 294 A H2 . 50340 1
70 . 1 . 1 32 32 A H61 H 1 8.184 0.000 . 1 . . . . . 294 A H61 . 50340 1
71 . 1 . 1 32 32 A H62 H 1 6.584 0.000 . 1 . . . . . 294 A H62 . 50340 1
72 . 1 . 1 32 32 A N1 N 15 222.248 0.019 . 1 . . . . . 294 A N1 . 50340 1
73 . 1 . 1 32 32 A N3 N 15 213.777 0.000 . 1 . . . . . 294 A N3 . 50340 1
74 . 1 . 1 32 32 A N6 N 15 83.420 0.000 . 1 . . . . . 294 A N6 . 50340 1
75 . 1 . 1 33 33 U H3 H 1 11.400 0.000 . 1 . . . . . 295 U H3 . 50340 1
76 . 1 . 1 36 36 G H1 H 1 10.143 0.000 . 1 . . . . . 149 G H1 . 50340 1
77 . 1 . 1 36 36 G N1 N 15 144.218 0.012 . 1 . . . . . 149 G N1 . 50340 1
78 . 1 . 1 37 37 U H3 H 1 14.313 0.003 . 1 . . . . . 150 U H3 . 50340 1
79 . 1 . 1 37 37 U N3 N 15 163.579 0.008 . 1 . . . . . 150 U N3 . 50340 1
80 . 1 . 1 38 38 C H41 H 1 8.134 0.005 . 1 . . . . . 151 C H41 . 50340 1
81 . 1 . 1 38 38 C H42 H 1 6.708 0.000 . 1 . . . . . 151 C H42 . 50340 1
82 . 1 . 1 38 38 C N3 N 15 197.860 0.000 . 1 . . . . . 151 C N3 . 50340 1
83 . 1 . 1 38 38 C N4 N 15 96.619 0.050 . 1 . . . . . 151 C N4 . 50340 1
84 . 1 . 1 39 39 G H1 H 1 12.567 0.006 . 1 . . . . . 152 G H1 . 50340 1
85 . 1 . 1 39 39 G N1 N 15 147.447 0.005 . 1 . . . . . 152 G N1 . 50340 1
86 . 1 . 1 40 40 U H3 H 1 14.098 0.004 . 1 . . . . . 153 U H3 . 50340 1
87 . 1 . 1 40 40 U N3 N 15 162.530 0.035 . 1 . . . . . 153 U N3 . 50340 1
88 . 1 . 1 41 41 U H3 H 1 12.940 0.003 . 1 . . . . . 154 U H3 . 50340 1
89 . 1 . 1 41 41 U N3 N 15 162.170 0.023 . 1 . . . . . 154 U N3 . 50340 1
90 . 1 . 1 42 42 G H1 H 1 11.558 0.006 . 1 . . . . . 155 G H1 . 50340 1
91 . 1 . 1 42 42 G N1 N 15 146.307 0.015 . 1 . . . . . 155 G N1 . 50340 1
92 . 1 . 1 44 44 C H41 H 1 8.109 0.006 . 1 . . . . . 157 C H41 . 50340 1
93 . 1 . 1 44 44 C H42 H 1 6.797 0.000 . 1 . . . . . 157 C H42 . 50340 1
94 . 1 . 1 44 44 C N3 N 15 197.891 0.000 . 1 . . . . . 157 C N3 . 50340 1
95 . 1 . 1 44 44 C N4 N 15 97.100 0.007 . 1 . . . . . 157 C N4 . 50340 1
96 . 1 . 1 45 45 A H2 H 1 6.768 0.000 . 1 . . . . . 158 A H2 . 50340 1
97 . 1 . 1 45 45 A N1 N 15 219.911 0.005 . 1 . . . . . 158 A N1 . 50340 1
98 . 1 . 1 45 45 A N3 N 15 213.276 0.000 . 1 . . . . . 158 A N3 . 50340 1
99 . 1 . 1 46 46 G H1 H 1 12.578 0.014 . 1 . . . . . 159 G H1 . 50340 1
100 . 1 . 1 46 46 G N1 N 15 147.256 0.026 . 1 . . . . . 159 G N1 . 50340 1
101 . 1 . 1 47 47 G H1 H 1 12.484 0.014 . 1 . . . . . 160 G H1 . 50340 1
102 . 1 . 1 47 47 G N1 N 15 147.683 0.084 . 1 . . . . . 160 G N1 . 50340 1
103 . 1 . 1 50 50 A H61 H 1 7.579 0.000 . 1 . . . . . 163 A H61 . 50340 1
104 . 1 . 1 50 50 A H62 H 1 6.421 0.000 . 1 . . . . . 163 A H62 . 50340 1
105 . 1 . 1 50 50 A N1 N 15 222.258 0.000 . 1 . . . . . 163 A N1 . 50340 1
106 . 1 . 1 50 50 A N6 N 15 82.630 0.007 . 1 . . . . . 163 A N6 . 50340 1
107 . 1 . 1 52 52 G H1 H 1 9.856 0.002 . 1 . . . . . 165 G H1 . 50340 1
108 . 1 . 1 52 52 G H21 H 1 7.415 0.000 . 1 . . . . . 165 G H21 . 50340 1
109 . 1 . 1 52 52 G N1 N 15 142.040 0.032 . 1 . . . . . 165 G N1 . 50340 1
110 . 1 . 1 53 53 A H2 H 1 7.390 0.001 . 1 . . . . . 166 A H2 . 50340 1
111 . 1 . 1 53 53 A H61 H 1 7.585 0.000 . 1 . . . . . 166 A H61 . 50340 1
112 . 1 . 1 53 53 A H62 H 1 6.479 0.000 . 1 . . . . . 166 A H62 . 50340 1
113 . 1 . 1 53 53 A N1 N 15 219.904 0.009 . 1 . . . . . 166 A N1 . 50340 1
114 . 1 . 1 53 53 A N3 N 15 211.615 0.000 . 1 . . . . . 166 A N3 . 50340 1
115 . 1 . 1 53 53 A N6 N 15 82.640 0.002 . 1 . . . . . 166 A N6 . 50340 1
116 . 1 . 1 54 54 G H1 H 1 13.271 0.006 . 1 . . . . . 167 G H1 . 50340 1
117 . 1 . 1 54 54 G N1 N 15 148.944 0.021 . 1 . . . . . 167 G N1 . 50340 1
118 . 1 . 1 58 58 C H41 H 1 8.204 0.015 . 1 . . . . . 171 C H41 . 50340 1
119 . 1 . 1 58 58 C H42 H 1 6.775 0.001 . 1 . . . . . 171 C H42 . 50340 1
120 . 1 . 1 58 58 C N3 N 15 196.647 0.000 . 1 . . . . . 171 C N3 . 50340 1
121 . 1 . 1 58 58 C N4 N 15 97.745 0.021 . 1 . . . . . 171 C N4 . 50340 1
122 . 1 . 1 59 59 U H3 H 1 14.078 0.007 . 1 . . . . . 172 U H3 . 50340 1
123 . 1 . 1 59 59 U N3 N 15 162.957 0.047 . 1 . . . . . 172 U N3 . 50340 1
124 . 1 . 1 60 60 C H41 H 1 7.963 0.011 . 1 . . . . . 173 C H41 . 50340 1
125 . 1 . 1 60 60 C H42 H 1 6.832 0.197 . 1 . . . . . 173 C H42 . 50340 1
126 . 1 . 1 60 60 C N3 N 15 198.558 0.000 . 1 . . . . . 173 C N3 . 50340 1
127 . 1 . 1 60 60 C N4 N 15 97.336 0.030 . 1 . . . . . 173 C N4 . 50340 1
128 . 1 . 1 62 62 U H3 H 1 13.703 0.012 . 1 . . . . . 175 U H3 . 50340 1
129 . 1 . 1 62 62 U N3 N 15 162.339 0.060 . 1 . . . . . 175 U N3 . 50340 1
130 . 1 . 1 63 63 C H41 H 1 8.206 0.028 . 1 . . . . . 176 C H41 . 50340 1
131 . 1 . 1 63 63 C H42 H 1 6.646 0.009 . 1 . . . . . 176 C H42 . 50340 1
132 . 1 . 1 63 63 C N3 N 15 196.959 0.000 . 1 . . . . . 176 C N3 . 50340 1
133 . 1 . 1 63 63 C N4 N 15 96.844 0.124 . 1 . . . . . 176 C N4 . 50340 1
134 . 1 . 1 64 64 U H3 H 1 11.421 0.001 . 1 . . . . . 177 U H3 . 50340 1
135 . 1 . 1 64 64 U N3 N 15 157.731 0.013 . 1 . . . . . 177 U N3 . 50340 1
136 . 1 . 1 65 65 A H2 H 1 7.111 0.000 . 1 . . . . . 178 A H2 . 50340 1
137 . 1 . 1 65 65 A H61 H 1 7.520 0.000 . 1 . . . . . 178 A H61 . 50340 1
138 . 1 . 1 65 65 A H62 H 1 6.583 0.000 . 1 . . . . . 178 A H62 . 50340 1
139 . 1 . 1 65 65 A N1 N 15 222.352 0.025 . 1 . . . . . 178 A N1 . 50340 1
140 . 1 . 1 65 65 A N3 N 15 213.289 0.000 . 1 . . . . . 178 A N3 . 50340 1
141 . 1 . 1 65 65 A N6 N 15 82.638 0.008 . 1 . . . . . 178 A N6 . 50340 1
142 . 1 . 1 66 66 U H3 H 1 13.748 0.003 . 1 . . . . . 179 U H3 . 50340 1
143 . 1 . 1 66 66 U N3 N 15 162.315 0.027 . 1 . . . . . 179 U N3 . 50340 1
144 . 1 . 1 67 67 C H41 H 1 8.246 0.000 . 1 . . . . . 180 C H41 . 50340 1
145 . 1 . 1 67 67 C H42 H 1 6.688 0.004 . 1 . . . . . 180 C H42 . 50340 1
146 . 1 . 1 67 67 C N3 N 15 198.010 0.000 . 1 . . . . . 180 C N3 . 50340 1
147 . 1 . 1 67 67 C N4 N 15 97.971 0.067 . 1 . . . . . 180 C N4 . 50340 1
148 . 1 . 1 68 68 C N3 N 15 197.459 0.000 . 1 . . . . . 1 C N3 . 50340 1
149 . 1 . 1 69 69 C N3 N 15 197.159 0.000 . 1 . . . . . 2 C N3 . 50340 1
stop_
save_