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 30997
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 TMS
_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 NOESY' . . . 30997 1
2 '2D 1H-13C HSQC' . . . 30997 1
3 '2D 1H-13C HSQC-ed' . . . 30997 1
4 '2D 1H-1H TOCSY' . . . 30997 1
5 '2D DQF-COSY' . . . 30997 1
6 '2D ROESY' . . . 30997 1
7 '2D 1H-15N SOFAST' . . . 30997 1
8 '1D 1H' . . . 30997 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 DPR CA C 13 56.8 0.2 . . . . . . A 1 DPR CA . 30997 1
2 . 1 . 1 1 1 DPR CB C 13 29.6 0.2 . . . . . . A 1 DPR CB . 30997 1
3 . 1 . 1 1 1 DPR CD C 13 47.5 0.2 . . . . . . A 1 DPR CD . 30997 1
4 . 1 . 1 1 1 DPR CG C 13 25.7 0.2 . . . . . . A 1 DPR CG . 30997 1
5 . 1 . 1 1 1 DPR HA H 1 4.72 0.02 . . . . . . A 1 DPR HA . 30997 1
6 . 1 . 1 1 1 DPR HB2 H 1 2.14 0.02 . . . . . . A 1 DPR HB2 . 30997 1
7 . 1 . 1 1 1 DPR HB3 H 1 1.85 0.02 . . . . . . A 1 DPR HB3 . 30997 1
8 . 1 . 1 1 1 DPR HD2 H 1 3.72 0.02 . . . . . . A 1 DPR HD2 . 30997 1
9 . 1 . 1 1 1 DPR HD3 H 1 3.58 0.02 . . . . . . A 1 DPR HD3 . 30997 1
10 . 1 . 1 1 1 DPR HG2 H 1 1.98 0.02 . . . . . . A 1 DPR HG2 . 30997 1
11 . 1 . 1 1 1 DPR HG3 H 1 2.14 0.02 . . . . . . A 1 DPR HG3 . 30997 1
12 . 1 . 1 2 2 MAA CA C 13 49.9 0.2 . . . . . . A 2 MAA CA . 30997 1
13 . 1 . 1 2 2 MAA CB C 13 14.1 0.2 . . . . . . A 2 MAA CB . 30997 1
14 . 1 . 1 2 2 MAA CM C 13 32.0 0.2 . . . . . . A 2 MAA CM . 30997 1
15 . 1 . 1 2 2 MAA HA H 1 4.81 0.02 . . . . . . A 2 MAA HA . 30997 1
16 . 1 . 1 2 2 MAA HB1 H 1 1.36 0.02 . . . . . . A 2 MAA HB1 . 30997 1
17 . 1 . 1 2 2 MAA HM1 H 1 3.09 0.02 . . . . . . A 2 MAA HM1 . 30997 1
18 . 1 . 1 3 3 ALA H H 1 7.65 0.02 . . . . . . A 3 ALA H . 30997 1
19 . 1 . 1 3 3 ALA HA H 1 4.07 0.02 . . . . . . A 3 ALA HA . 30997 1
20 . 1 . 1 3 3 ALA HB1 H 1 1.27 0.02 . . . . . . A 3 ALA HB1 . 30997 1
21 . 1 . 1 3 3 ALA HB2 H 1 1.27 0.02 . . . . . . A 3 ALA HB2 . 30997 1
22 . 1 . 1 3 3 ALA HB3 H 1 1.27 0.02 . . . . . . A 3 ALA HB3 . 30997 1
23 . 1 . 1 3 3 ALA CA C 13 50.3 0.2 . . . . . . A 3 ALA CA . 30997 1
24 . 1 . 1 3 3 ALA CB C 13 16.8 0.2 . . . . . . A 3 ALA CB . 30997 1
25 . 1 . 1 3 3 ALA N N 15 117.0 0.2 . . . . . . A 3 ALA N . 30997 1
26 . 1 . 1 4 4 DVA H H 1 6.78 0.02 . . . . . . A 4 DVA H . 30997 1
27 . 1 . 1 4 4 DVA N N 15 116.7 0.2 . . . . . . A 4 DVA N . 30997 1
28 . 1 . 1 4 4 DVA CA C 13 55.0 0.2 . . . . . . A 4 DVA CA . 30997 1
29 . 1 . 1 4 4 DVA CB C 13 29.9 0.2 . . . . . . A 4 DVA CB . 30997 1
30 . 1 . 1 4 4 DVA CG1 C 13 19.3 0.2 . . . . . . A 4 DVA CG1 . 30997 1
31 . 1 . 1 4 4 DVA CG2 C 13 18.8 0.2 . . . . . . A 4 DVA CG2 . 30997 1
32 . 1 . 1 4 4 DVA HA H 1 4.20 0.02 . . . . . . A 4 DVA HA . 30997 1
33 . 1 . 1 4 4 DVA HB H 1 1.97 0.02 . . . . . . A 4 DVA HB . 30997 1
34 . 1 . 1 4 4 DVA HG11 H 1 0.88 0.02 . . . . . . A 4 DVA HG11 . 30997 1
35 . 1 . 1 4 4 DVA HG21 H 1 0.81 0.02 . . . . . . A 4 DVA HG21 . 30997 1
36 . 1 . 1 5 5 MLE CA C 13 54.3 0.2 . . . . . . A 5 MLE CA . 30997 1
37 . 1 . 1 5 5 MLE CB C 13 35.7 0.2 . . . . . . A 5 MLE CB . 30997 1
38 . 1 . 1 5 5 MLE CD1 C 13 21.2 0.2 . . . . . . A 5 MLE CD1 . 30997 1
39 . 1 . 1 5 5 MLE CD2 C 13 23.8 0.2 . . . . . . A 5 MLE CD2 . 30997 1
40 . 1 . 1 5 5 MLE CG C 13 24.6 0.2 . . . . . . A 5 MLE CG . 30997 1
41 . 1 . 1 5 5 MLE CN C 13 30.9 0.2 . . . . . . A 5 MLE CN . 30997 1
42 . 1 . 1 5 5 MLE HA H 1 5.16 0.02 . . . . . . A 5 MLE HA . 30997 1
43 . 1 . 1 5 5 MLE HB2 H 1 1.60 0.02 . . . . . . A 5 MLE HB2 . 30997 1
44 . 1 . 1 5 5 MLE HB3 H 1 1.60 0.02 . . . . . . A 5 MLE HB3 . 30997 1
45 . 1 . 1 5 5 MLE HD11 H 1 0.76 0.02 . . . . . . A 5 MLE HD11 . 30997 1
46 . 1 . 1 5 5 MLE HD12 H 1 0.90 0.02 . . . . . . A 5 MLE HD12 . 30997 1
47 . 1 . 1 5 5 MLE HG H 1 1.31 0.02 . . . . . . A 5 MLE HG . 30997 1
48 . 1 . 1 5 5 MLE HN1 H 1 3.01 0.02 . . . . . . A 5 MLE HN1 . 30997 1
49 . 1 . 1 6 6 LEU H H 1 6.41 0.02 . . . . . . A 6 LEU H . 30997 1
50 . 1 . 1 6 6 LEU HA H 1 4.48 0.02 . . . . . . A 6 LEU HA . 30997 1
51 . 1 . 1 6 6 LEU HB2 H 1 1.41 0.02 . . . . . . A 6 LEU HB2 . 30997 1
52 . 1 . 1 6 6 LEU HB3 H 1 1.48 0.02 . . . . . . A 6 LEU HB3 . 30997 1
53 . 1 . 1 6 6 LEU HG H 1 1.60 0.02 . . . . . . A 6 LEU HG . 30997 1
54 . 1 . 1 6 6 LEU HD11 H 1 0.91 0.02 . . . . . . A 6 LEU HD11 . 30997 1
55 . 1 . 1 6 6 LEU HD12 H 1 0.91 0.02 . . . . . . A 6 LEU HD12 . 30997 1
56 . 1 . 1 6 6 LEU HD13 H 1 0.91 0.02 . . . . . . A 6 LEU HD13 . 30997 1
57 . 1 . 1 6 6 LEU HD21 H 1 0.90 0.02 . . . . . . A 6 LEU HD21 . 30997 1
58 . 1 . 1 6 6 LEU HD22 H 1 0.90 0.02 . . . . . . A 6 LEU HD22 . 30997 1
59 . 1 . 1 6 6 LEU HD23 H 1 0.90 0.02 . . . . . . A 6 LEU HD23 . 30997 1
60 . 1 . 1 6 6 LEU CA C 13 49.5 0.2 . . . . . . A 6 LEU CA . 30997 1
61 . 1 . 1 6 6 LEU CB C 13 41.9 0.2 . . . . . . A 6 LEU CB . 30997 1
62 . 1 . 1 6 6 LEU CG C 13 24.8 0.2 . . . . . . A 6 LEU CG . 30997 1
63 . 1 . 1 6 6 LEU CD1 C 13 21.9 0.2 . . . . . . A 6 LEU CD1 . 30997 1
64 . 1 . 1 6 6 LEU CD2 C 13 24.0 0.2 . . . . . . A 6 LEU CD2 . 30997 1
65 . 1 . 1 6 6 LEU N N 15 114.1 0.2 . . . . . . A 6 LEU N . 30997 1
66 . 1 . 1 7 7 LEU H H 1 8.41 0.02 . . . . . . A 7 LEU H . 30997 1
67 . 1 . 1 7 7 LEU HA H 1 3.90 0.02 . . . . . . A 7 LEU HA . 30997 1
68 . 1 . 1 7 7 LEU HB2 H 1 1.32 0.02 . . . . . . A 7 LEU HB2 . 30997 1
69 . 1 . 1 7 7 LEU HB3 H 1 1.51 0.02 . . . . . . A 7 LEU HB3 . 30997 1
70 . 1 . 1 7 7 LEU HG H 1 1.77 0.02 . . . . . . A 7 LEU HG . 30997 1
71 . 1 . 1 7 7 LEU HD11 H 1 0.78 0.02 . . . . . . A 7 LEU HD11 . 30997 1
72 . 1 . 1 7 7 LEU HD12 H 1 0.78 0.02 . . . . . . A 7 LEU HD12 . 30997 1
73 . 1 . 1 7 7 LEU HD13 H 1 0.78 0.02 . . . . . . A 7 LEU HD13 . 30997 1
74 . 1 . 1 7 7 LEU HD21 H 1 0.92 0.02 . . . . . . A 7 LEU HD21 . 30997 1
75 . 1 . 1 7 7 LEU HD22 H 1 0.92 0.02 . . . . . . A 7 LEU HD22 . 30997 1
76 . 1 . 1 7 7 LEU HD23 H 1 0.92 0.02 . . . . . . A 7 LEU HD23 . 30997 1
77 . 1 . 1 7 7 LEU CA C 13 51.7 0.2 . . . . . . A 7 LEU CA . 30997 1
78 . 1 . 1 7 7 LEU CB C 13 37.5 0.2 . . . . . . A 7 LEU CB . 30997 1
79 . 1 . 1 7 7 LEU CG C 13 24.6 0.2 . . . . . . A 7 LEU CG . 30997 1
80 . 1 . 1 7 7 LEU CD1 C 13 20.0 0.2 . . . . . . A 7 LEU CD1 . 30997 1
81 . 1 . 1 7 7 LEU CD2 C 13 23.7 0.2 . . . . . . A 7 LEU CD2 . 30997 1
82 . 1 . 1 7 7 LEU N N 15 120.0 0.2 . . . . . . A 7 LEU N . 30997 1
83 . 1 . 1 8 8 PRO HA H 1 4.22 0.02 . . . . . . A 8 PRO HA . 30997 1
84 . 1 . 1 8 8 PRO HB2 H 1 2.28 0.02 . . . . . . A 8 PRO HB2 . 30997 1
85 . 1 . 1 8 8 PRO HB3 H 1 2.02 0.02 . . . . . . A 8 PRO HB3 . 30997 1
86 . 1 . 1 8 8 PRO HG2 H 1 1.42 0.02 . . . . . . A 8 PRO HG2 . 30997 1
87 . 1 . 1 8 8 PRO HG3 H 1 1.78 0.02 . . . . . . A 8 PRO HG3 . 30997 1
88 . 1 . 1 8 8 PRO HD2 H 1 3.20 0.02 . . . . . . A 8 PRO HD2 . 30997 1
89 . 1 . 1 8 8 PRO HD3 H 1 3.29 0.02 . . . . . . A 8 PRO HD3 . 30997 1
90 . 1 . 1 8 8 PRO CA C 13 60.5 0.2 . . . . . . A 8 PRO CA . 30997 1
91 . 1 . 1 8 8 PRO CB C 13 32.1 0.2 . . . . . . A 8 PRO CB . 30997 1
92 . 1 . 1 8 8 PRO CG C 13 22.0 0.2 . . . . . . A 8 PRO CG . 30997 1
93 . 1 . 1 8 8 PRO CD C 13 47.0 0.2 . . . . . . A 8 PRO CD . 30997 1
94 . 1 . 1 9 9 DLE H H 1 7.95 0.02 . . . . . . A 9 DLE H . 30997 1
95 . 1 . 1 9 9 DLE N N 15 121.2 0.2 . . . . . . A 9 DLE N . 30997 1
96 . 1 . 1 9 9 DLE CA C 13 53.8 0.2 . . . . . . A 9 DLE CA . 30997 1
97 . 1 . 1 9 9 DLE CB C 13 37.1 0.2 . . . . . . A 9 DLE CB . 30997 1
98 . 1 . 1 9 9 DLE CD1 C 13 22.7 0.2 . . . . . . A 9 DLE CD1 . 30997 1
99 . 1 . 1 9 9 DLE CD2 C 13 21.4 0.2 . . . . . . A 9 DLE CD2 . 30997 1
100 . 1 . 1 9 9 DLE CG C 13 25.9 0.2 . . . . . . A 9 DLE CG . 30997 1
101 . 1 . 1 9 9 DLE HA H 1 4.82 0.02 . . . . . . A 9 DLE HA . 30997 1
102 . 1 . 1 9 9 DLE HB2 H 1 1.27 0.02 . . . . . . A 9 DLE HB2 . 30997 1
103 . 1 . 1 9 9 DLE HB3 H 1 1.95 0.02 . . . . . . A 9 DLE HB3 . 30997 1
104 . 1 . 1 9 9 DLE HD11 H 1 0.74 0.02 . . . . . . A 9 DLE HD11 . 30997 1
105 . 1 . 1 9 9 DLE HD21 H 1 0.86 0.02 . . . . . . A 9 DLE HD21 . 30997 1
106 . 1 . 1 9 9 DLE HG H 1 1.34 0.02 . . . . . . A 9 DLE HG . 30997 1
stop_
save_