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 50918
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Ile_delta_methyl_Chemical_shift_assignment
_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 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 '2D 1H-13C HMQC' . . . 50918 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 . . 50918 1
2 $software_2 . . 50918 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 33 33 ILE HD11 H 1 0.436 . . . . . . . . 34 I QD1 . 50918 1
2 . 1 . 1 33 33 ILE HD12 H 1 0.436 . . . . . . . . 34 I QD1 . 50918 1
3 . 1 . 1 33 33 ILE HD13 H 1 0.436 . . . . . . . . 34 I QD1 . 50918 1
4 . 1 . 1 33 33 ILE CD1 C 13 14.027 . . . . . . . . 34 I CD1 . 50918 1
5 . 1 . 1 63 63 ILE HD11 H 1 0.649 . . . . . . . . 64 I QD1 . 50918 1
6 . 1 . 1 63 63 ILE HD12 H 1 0.649 . . . . . . . . 64 I QD1 . 50918 1
7 . 1 . 1 63 63 ILE HD13 H 1 0.649 . . . . . . . . 64 I QD1 . 50918 1
8 . 1 . 1 63 63 ILE CD1 C 13 13.876 . . . . . . . . 64 I CD1 . 50918 1
9 . 1 . 1 70 70 ILE HD11 H 1 0.287 . . . . . . . . 71 I QD1 . 50918 1
10 . 1 . 1 70 70 ILE HD12 H 1 0.287 . . . . . . . . 71 I QD1 . 50918 1
11 . 1 . 1 70 70 ILE HD13 H 1 0.287 . . . . . . . . 71 I QD1 . 50918 1
12 . 1 . 1 70 70 ILE CD1 C 13 13.960 . . . . . . . . 71 I CD1 . 50918 1
13 . 1 . 1 74 74 ILE HD11 H 1 0.740 . . . . . . . . 75 I QD1 . 50918 1
14 . 1 . 1 74 74 ILE HD12 H 1 0.740 . . . . . . . . 75 I QD1 . 50918 1
15 . 1 . 1 74 74 ILE HD13 H 1 0.740 . . . . . . . . 75 I QD1 . 50918 1
16 . 1 . 1 74 74 ILE CD1 C 13 10.910 . . . . . . . . 75 I CD1 . 50918 1
17 . 1 . 1 84 84 ILE HD11 H 1 0.481 . . . . . . . . 85 I QD1 . 50918 1
18 . 1 . 1 84 84 ILE HD12 H 1 0.481 . . . . . . . . 85 I QD1 . 50918 1
19 . 1 . 1 84 84 ILE HD13 H 1 0.481 . . . . . . . . 85 I QD1 . 50918 1
20 . 1 . 1 84 84 ILE CD1 C 13 12.156 . . . . . . . . 85 I CD1 . 50918 1
21 . 1 . 1 121 121 ILE HD11 H 1 1.079 . . . . . . . . 122 I QD1 . 50918 1
22 . 1 . 1 121 121 ILE HD12 H 1 1.079 . . . . . . . . 122 I QD1 . 50918 1
23 . 1 . 1 121 121 ILE HD13 H 1 1.079 . . . . . . . . 122 I QD1 . 50918 1
24 . 1 . 1 121 121 ILE CD1 C 13 16.376 . . . . . . . . 122 I CD1 . 50918 1
25 . 1 . 1 150 150 ILE HD11 H 1 0.702 . . . . . . . . 151 I QD1 . 50918 1
26 . 1 . 1 150 150 ILE HD12 H 1 0.702 . . . . . . . . 151 I QD1 . 50918 1
27 . 1 . 1 150 150 ILE HD13 H 1 0.702 . . . . . . . . 151 I QD1 . 50918 1
28 . 1 . 1 150 150 ILE CD1 C 13 16.643 . . . . . . . . 151 I CD1 . 50918 1
29 . 1 . 1 164 164 ILE HD11 H 1 0.476 . . . . . . . . 165 I QD1 . 50918 1
30 . 1 . 1 164 164 ILE HD12 H 1 0.476 . . . . . . . . 165 I QD1 . 50918 1
31 . 1 . 1 164 164 ILE HD13 H 1 0.476 . . . . . . . . 165 I QD1 . 50918 1
32 . 1 . 1 164 164 ILE CD1 C 13 16.266 . . . . . . . . 165 I CD1 . 50918 1
33 . 1 . 1 174 174 ILE HD11 H 1 0.671 . . . . . . . . 175 I QD1 . 50918 1
34 . 1 . 1 174 174 ILE HD12 H 1 0.671 . . . . . . . . 175 I QD1 . 50918 1
35 . 1 . 1 174 174 ILE HD13 H 1 0.671 . . . . . . . . 175 I QD1 . 50918 1
36 . 1 . 1 174 174 ILE CD1 C 13 14.292 . . . . . . . . 175 I CD1 . 50918 1
37 . 1 . 1 191 191 ILE HD11 H 1 0.129 . . . . . . . . 192 I QD1 . 50918 1
38 . 1 . 1 191 191 ILE HD12 H 1 0.129 . . . . . . . . 192 I QD1 . 50918 1
39 . 1 . 1 191 191 ILE HD13 H 1 0.129 . . . . . . . . 192 I QD1 . 50918 1
40 . 1 . 1 191 191 ILE CD1 C 13 13.212 . . . . . . . . 192 I CD1 . 50918 1
41 . 1 . 1 207 207 ILE HD11 H 1 0.820 . . . . . . . . 208 I QD1 . 50918 1
42 . 1 . 1 207 207 ILE HD12 H 1 0.820 . . . . . . . . 208 I QD1 . 50918 1
43 . 1 . 1 207 207 ILE HD13 H 1 0.820 . . . . . . . . 208 I QD1 . 50918 1
44 . 1 . 1 207 207 ILE CD1 C 13 12.936 . . . . . . . . 208 I CD1 . 50918 1
45 . 1 . 1 211 211 ILE HD11 H 1 -0.014 . . . . . . . . 212 I QD1 . 50918 1
46 . 1 . 1 211 211 ILE HD12 H 1 -0.014 . . . . . . . . 212 I QD1 . 50918 1
47 . 1 . 1 211 211 ILE HD13 H 1 -0.014 . . . . . . . . 212 I QD1 . 50918 1
48 . 1 . 1 211 211 ILE CD1 C 13 13.733 . . . . . . . . 212 I CD1 . 50918 1
49 . 1 . 1 247 247 ILE HD11 H 1 0.359 . . . . . . . . 248 I QD1 . 50918 1
50 . 1 . 1 247 247 ILE HD12 H 1 0.359 . . . . . . . . 248 I QD1 . 50918 1
51 . 1 . 1 247 247 ILE HD13 H 1 0.359 . . . . . . . . 248 I QD1 . 50918 1
52 . 1 . 1 247 247 ILE CD1 C 13 13.501 . . . . . . . . 248 I CD1 . 50918 1
53 . 1 . 1 249 249 ILE HD11 H 1 0.460 . . . . . . . . 250 I QD1 . 50918 1
54 . 1 . 1 249 249 ILE HD12 H 1 0.460 . . . . . . . . 250 I QD1 . 50918 1
55 . 1 . 1 249 249 ILE HD13 H 1 0.460 . . . . . . . . 250 I QD1 . 50918 1
56 . 1 . 1 249 249 ILE CD1 C 13 13.418 . . . . . . . . 250 I CD1 . 50918 1
57 . 1 . 1 273 273 ILE HD11 H 1 0.340 . . . . . . . . 274 I QD1 . 50918 1
58 . 1 . 1 273 273 ILE HD12 H 1 0.340 . . . . . . . . 274 I QD1 . 50918 1
59 . 1 . 1 273 273 ILE HD13 H 1 0.340 . . . . . . . . 274 I QD1 . 50918 1
60 . 1 . 1 273 273 ILE CD1 C 13 13.724 . . . . . . . . 274 I CD1 . 50918 1
61 . 1 . 1 281 281 ILE HD11 H 1 0.067 . . . . . . . . 282 I QD1 . 50918 1
62 . 1 . 1 281 281 ILE HD12 H 1 0.067 . . . . . . . . 282 I QD1 . 50918 1
63 . 1 . 1 281 281 ILE HD13 H 1 0.067 . . . . . . . . 282 I QD1 . 50918 1
64 . 1 . 1 281 281 ILE CD1 C 13 13.111 . . . . . . . . 282 I CD1 . 50918 1
65 . 1 . 1 288 288 ILE HD11 H 1 0.466 . . . . . . . . 289 I QD1 . 50918 1
66 . 1 . 1 288 288 ILE HD12 H 1 0.466 . . . . . . . . 289 I QD1 . 50918 1
67 . 1 . 1 288 288 ILE HD13 H 1 0.466 . . . . . . . . 289 I QD1 . 50918 1
68 . 1 . 1 288 288 ILE CD1 C 13 14.491 . . . . . . . . 289 I CD1 . 50918 1
69 . 1 . 1 316 316 ILE HD11 H 1 0.879 . . . . . . . . 317 I QD1 . 50918 1
70 . 1 . 1 316 316 ILE HD12 H 1 0.879 . . . . . . . . 317 I QD1 . 50918 1
71 . 1 . 1 316 316 ILE HD13 H 1 0.879 . . . . . . . . 317 I QD1 . 50918 1
72 . 1 . 1 316 316 ILE CD1 C 13 12.108 . . . . . . . . 317 I CD1 . 50918 1
73 . 1 . 1 326 326 ILE HD11 H 1 0.331 . . . . . . . . 327 I QD1 . 50918 1
74 . 1 . 1 326 326 ILE HD12 H 1 0.331 . . . . . . . . 327 I QD1 . 50918 1
75 . 1 . 1 326 326 ILE HD13 H 1 0.331 . . . . . . . . 327 I QD1 . 50918 1
76 . 1 . 1 326 326 ILE CD1 C 13 13.292 . . . . . . . . 327 I CD1 . 50918 1
77 . 1 . 1 328 328 ILE HD11 H 1 0.575 . . . . . . . . 329 I QD1 . 50918 1
78 . 1 . 1 328 328 ILE HD12 H 1 0.575 . . . . . . . . 329 I QD1 . 50918 1
79 . 1 . 1 328 328 ILE HD13 H 1 0.575 . . . . . . . . 329 I QD1 . 50918 1
80 . 1 . 1 328 328 ILE CD1 C 13 9.547 . . . . . . . . 329 I CD1 . 50918 1
81 . 1 . 1 329 329 ILE HD11 H 1 0.673 . . . . . . . . 330 I QD1 . 50918 1
82 . 1 . 1 329 329 ILE HD12 H 1 0.673 . . . . . . . . 330 I QD1 . 50918 1
83 . 1 . 1 329 329 ILE HD13 H 1 0.673 . . . . . . . . 330 I QD1 . 50918 1
84 . 1 . 1 329 329 ILE CD1 C 13 13.685 . . . . . . . . 330 I CD1 . 50918 1
85 . 1 . 1 340 340 ILE HD11 H 1 0.904 . . . . . . . . 341 I QD1 . 50918 1
86 . 1 . 1 340 340 ILE HD12 H 1 0.904 . . . . . . . . 341 I QD1 . 50918 1
87 . 1 . 1 340 340 ILE HD13 H 1 0.904 . . . . . . . . 341 I QD1 . 50918 1
88 . 1 . 1 340 340 ILE CD1 C 13 14.352 . . . . . . . . 341 I CD1 . 50918 1
89 . 1 . 1 344 344 ILE HD11 H 1 0.626 . . . . . . . . 345 I QD1 . 50918 1
90 . 1 . 1 344 344 ILE HD12 H 1 0.626 . . . . . . . . 345 I QD1 . 50918 1
91 . 1 . 1 344 344 ILE HD13 H 1 0.626 . . . . . . . . 345 I QD1 . 50918 1
92 . 1 . 1 344 344 ILE CD1 C 13 14.412 . . . . . . . . 345 I CD1 . 50918 1
93 . 1 . 1 356 356 ILE HD11 H 1 0.964 . . . . . . . . 357 I QD1 . 50918 1
94 . 1 . 1 356 356 ILE HD12 H 1 0.964 . . . . . . . . 357 I QD1 . 50918 1
95 . 1 . 1 356 356 ILE HD13 H 1 0.964 . . . . . . . . 357 I QD1 . 50918 1
96 . 1 . 1 356 356 ILE CD1 C 13 15.271 . . . . . . . . 357 I CD1 . 50918 1
stop_
save_