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 34902
_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 .
_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' . . . 34902 1
2 '2D 1H-1H TOCSY' . . . 34902 1
3 '2D 1H-1H COSY' . . . 34902 1
4 '2D 1H-13C HSQC' . . . 34902 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 6NA CA C 13 35.0 0.00 . 1 . . . . A 1 6NA CA . 34902 1
2 . 1 . 1 1 1 6NA HAC1 H 1 2.40 0.00 . 2 . . . . A 1 6NA HAC1 . 34902 1
3 . 1 . 1 1 1 6NA HAC2 H 1 2.27 0.00 . 2 . . . . A 1 6NA HAC2 . 34902 1
4 . 1 . 1 2 2 LEU H H 1 8.95 0.00 . 1 . . . . A 2 LEU H . 34902 1
5 . 1 . 1 2 2 LEU HA H 1 3.89 0.00 . 1 . . . . A 2 LEU HA . 34902 1
6 . 1 . 1 2 2 LEU HB2 H 1 1.80 0.00 . 2 . . . . A 2 LEU HB2 . 34902 1
7 . 1 . 1 2 2 LEU HB3 H 1 1.59 0.00 . 2 . . . . A 2 LEU HB3 . 34902 1
8 . 1 . 1 2 2 LEU HG H 1 1.59 0.00 . 1 . . . . A 2 LEU HG . 34902 1
9 . 1 . 1 2 2 LEU HD11 H 1 0.86 0.00 . 2 . . . . A 2 LEU HD11 . 34902 1
10 . 1 . 1 2 2 LEU HD12 H 1 0.86 0.00 . 2 . . . . A 2 LEU HD12 . 34902 1
11 . 1 . 1 2 2 LEU HD13 H 1 0.86 0.00 . 2 . . . . A 2 LEU HD13 . 34902 1
12 . 1 . 1 2 2 LEU HD21 H 1 0.85 0.00 . 2 . . . . A 2 LEU HD21 . 34902 1
13 . 1 . 1 2 2 LEU HD22 H 1 0.85 0.00 . 2 . . . . A 2 LEU HD22 . 34902 1
14 . 1 . 1 2 2 LEU HD23 H 1 0.85 0.00 . 2 . . . . A 2 LEU HD23 . 34902 1
15 . 1 . 1 2 2 LEU CA C 13 52.2 0.00 . 1 . . . . A 2 LEU CA . 34902 1
16 . 1 . 1 2 2 LEU CB C 13 37.4 0.00 . 1 . . . . A 2 LEU CB . 34902 1
17 . 1 . 1 2 2 LEU CG C 13 24.2 0.00 . 1 . . . . A 2 LEU CG . 34902 1
18 . 1 . 1 2 2 LEU CD1 C 13 20.9 0.00 . 2 . . . . A 2 LEU CD1 . 34902 1
19 . 1 . 1 2 2 LEU CD2 C 13 22.3 0.00 . 2 . . . . A 2 LEU CD2 . 34902 1
20 . 1 . 1 3 3 DGL H H 1 8.82 0.00 . 1 . . . . A 3 DGL H . 34902 1
21 . 1 . 1 3 3 DGL CA C 13 56.9 0.00 . 1 . . . . A 3 DGL CA . 34902 1
22 . 1 . 1 3 3 DGL CB C 13 26.2 0.00 . 1 . . . . A 3 DGL CB . 34902 1
23 . 1 . 1 3 3 DGL CG C 13 33.5 0.00 . 1 . . . . A 3 DGL CG . 34902 1
24 . 1 . 1 3 3 DGL HA H 1 4.00 0.00 . 1 . . . . A 3 DGL HA . 34902 1
25 . 1 . 1 3 3 DGL HB2 H 1 1.97 0.00 . 2 . . . . A 3 DGL HB2 . 34902 1
26 . 1 . 1 3 3 DGL HB3 H 1 1.97 0.00 . 2 . . . . A 3 DGL HB3 . 34902 1
27 . 1 . 1 3 3 DGL HG2 H 1 2.28 0.00 . 2 . . . . A 3 DGL HG2 . 34902 1
28 . 1 . 1 3 3 DGL HG3 H 1 2.21 0.00 . 2 . . . . A 3 DGL HG3 . 34902 1
29 . 1 . 1 4 4 DLE H H 1 7.88 0.00 . 1 . . . . A 4 DLE H . 34902 1
30 . 1 . 1 4 4 DLE CA C 13 55.2 0.00 . 1 . . . . A 4 DLE CA . 34902 1
31 . 1 . 1 4 4 DLE CB C 13 38.8 0.00 . 1 . . . . A 4 DLE CB . 34902 1
32 . 1 . 1 4 4 DLE CD1 C 13 22.4 0.00 . 2 . . . . A 4 DLE CD1 . 34902 1
33 . 1 . 1 4 4 DLE CD2 C 13 23.6 0.00 . 2 . . . . A 4 DLE CD2 . 34902 1
34 . 1 . 1 4 4 DLE CG C 13 24.6 0.00 . 1 . . . . A 4 DLE CG . 34902 1
35 . 1 . 1 4 4 DLE HA H 1 4.02 0.00 . 1 . . . . A 4 DLE HA . 34902 1
36 . 1 . 1 4 4 DLE HB2 H 1 1.72 0.00 . 2 . . . . A 4 DLE HB2 . 34902 1
37 . 1 . 1 4 4 DLE HB3 H 1 1.71 0.00 . 2 . . . . A 4 DLE HB3 . 34902 1
38 . 1 . 1 4 4 DLE HD11 H 1 0.89 0.00 . 2 . . . . A 4 DLE HD11 . 34902 1
39 . 1 . 1 4 4 DLE HD12 H 1 0.89 0.00 . 2 . . . . A 4 DLE HD12 . 34902 1
40 . 1 . 1 4 4 DLE HD13 H 1 0.89 0.00 . 2 . . . . A 4 DLE HD13 . 34902 1
41 . 1 . 1 4 4 DLE HD21 H 1 0.85 0.00 . 2 . . . . A 4 DLE HD21 . 34902 1
42 . 1 . 1 4 4 DLE HD22 H 1 0.85 0.00 . 2 . . . . A 4 DLE HD22 . 34902 1
43 . 1 . 1 4 4 DLE HD23 H 1 0.85 0.00 . 2 . . . . A 4 DLE HD23 . 34902 1
44 . 1 . 1 4 4 DLE HG H 1 1.54 0.00 . 1 . . . . A 4 DLE HG . 34902 1
45 . 1 . 1 5 5 LEU H H 1 8.86 0.00 . 1 . . . . A 5 LEU H . 34902 1
46 . 1 . 1 5 5 LEU HA H 1 3.64 0.00 . 1 . . . . A 5 LEU HA . 34902 1
47 . 1 . 1 5 5 LEU HB2 H 1 1.81 0.00 . 2 . . . . A 5 LEU HB2 . 34902 1
48 . 1 . 1 5 5 LEU HB3 H 1 1.54 0.00 . 2 . . . . A 5 LEU HB3 . 34902 1
49 . 1 . 1 5 5 LEU HG H 1 1.81 0.00 . 1 . . . . A 5 LEU HG . 34902 1
50 . 1 . 1 5 5 LEU HD11 H 1 0.82 0.00 . 2 . . . . A 5 LEU HD11 . 34902 1
51 . 1 . 1 5 5 LEU HD12 H 1 0.82 0.00 . 2 . . . . A 5 LEU HD12 . 34902 1
52 . 1 . 1 5 5 LEU HD13 H 1 0.82 0.00 . 2 . . . . A 5 LEU HD13 . 34902 1
53 . 1 . 1 5 5 LEU HD21 H 1 0.79 0.00 . 2 . . . . A 5 LEU HD21 . 34902 1
54 . 1 . 1 5 5 LEU HD22 H 1 0.79 0.00 . 2 . . . . A 5 LEU HD22 . 34902 1
55 . 1 . 1 5 5 LEU HD23 H 1 0.79 0.00 . 2 . . . . A 5 LEU HD23 . 34902 1
56 . 1 . 1 5 5 LEU CA C 13 51.8 0.00 . 1 . . . . A 5 LEU CA . 34902 1
57 . 1 . 1 5 5 LEU CB C 13 36.6 0.00 . 1 . . . . A 5 LEU CB . 34902 1
58 . 1 . 1 5 5 LEU CG C 13 24.5 0.00 . 1 . . . . A 5 LEU CG . 34902 1
59 . 1 . 1 5 5 LEU CD1 C 13 23.0 0.00 . 2 . . . . A 5 LEU CD1 . 34902 1
60 . 1 . 1 5 5 LEU CD2 C 13 21.0 0.00 . 2 . . . . A 5 LEU CD2 . 34902 1
61 . 1 . 1 6 6 DGN H H 1 8.43 0.00 . 1 . . . . A 6 DGN H . 34902 1
62 . 1 . 1 6 6 DGN CA C 13 56.6 0.00 . 1 . . . . A 6 DGN CA . 34902 1
63 . 1 . 1 6 6 DGN CB C 13 26.1 0.00 . 1 . . . . A 6 DGN CB . 34902 1
64 . 1 . 1 6 6 DGN CG C 13 31.5 0.00 . 1 . . . . A 6 DGN CG . 34902 1
65 . 1 . 1 6 6 DGN HA H 1 3.85 0.00 . 1 . . . . A 6 DGN HA . 34902 1
66 . 1 . 1 6 6 DGN HB2 H 1 2.08 0.00 . 2 . . . . A 6 DGN HB2 . 34902 1
67 . 1 . 1 6 6 DGN HB3 H 1 2.08 0.00 . 2 . . . . A 6 DGN HB3 . 34902 1
68 . 1 . 1 6 6 DGN HE21 H 1 7.39 0.00 . 2 . . . . A 6 DGN HE21 . 34902 1
69 . 1 . 1 6 6 DGN HE22 H 1 6.71 0.00 . 2 . . . . A 6 DGN HE22 . 34902 1
70 . 1 . 1 6 6 DGN HG2 H 1 2.40 0.00 . 2 . . . . A 6 DGN HG2 . 34902 1
71 . 1 . 1 6 6 DGN HG3 H 1 2.31 0.00 . 2 . . . . A 6 DGN HG3 . 34902 1
72 . 1 . 1 7 7 DSN H H 1 7.88 0.00 . 1 . . . . A 7 DSN H . 34902 1
73 . 1 . 1 7 7 DSN CA C 13 58.2 0.00 . 1 . . . . A 7 DSN CA . 34902 1
74 . 1 . 1 7 7 DSN CB C 13 60.4 0.00 . 1 . . . . A 7 DSN CB . 34902 1
75 . 1 . 1 7 7 DSN HA H 1 4.37 0.00 . 1 . . . . A 7 DSN HA . 34902 1
76 . 1 . 1 7 7 DSN HB2 H 1 3.94 0.00 . 2 . . . . A 7 DSN HB2 . 34902 1
77 . 1 . 1 7 7 DSN HB3 H 1 3.92 0.00 . 2 . . . . A 7 DSN HB3 . 34902 1
78 . 1 . 1 8 8 DVA H H 1 8.12 0.00 . 1 . . . . A 8 DVA H . 34902 1
79 . 1 . 1 8 8 DVA CA C 13 64.3 0.00 . 1 . . . . A 8 DVA CA . 34902 1
80 . 1 . 1 8 8 DVA CB C 13 28.6 0.00 . 1 . . . . A 8 DVA CB . 34902 1
81 . 1 . 1 8 8 DVA CG1 C 13 20.8 0.00 . 2 . . . . A 8 DVA CG1 . 34902 1
82 . 1 . 1 8 8 DVA CG2 C 13 19.1 0.00 . 2 . . . . A 8 DVA CG2 . 34902 1
83 . 1 . 1 8 8 DVA HA H 1 3.55 0.00 . 1 . . . . A 8 DVA HA . 34902 1
84 . 1 . 1 8 8 DVA HB H 1 2.32 0.00 . 1 . . . . A 8 DVA HB . 34902 1
85 . 1 . 1 8 8 DVA HG11 H 1 1.00 0.00 . 2 . . . . A 8 DVA HG11 . 34902 1
86 . 1 . 1 8 8 DVA HG12 H 1 1.00 0.00 . 2 . . . . A 8 DVA HG12 . 34902 1
87 . 1 . 1 8 8 DVA HG13 H 1 1.00 0.00 . 2 . . . . A 8 DVA HG13 . 34902 1
88 . 1 . 1 8 8 DVA HG21 H 1 0.92 0.00 . 2 . . . . A 8 DVA HG21 . 34902 1
89 . 1 . 1 8 8 DVA HG22 H 1 0.92 0.00 . 2 . . . . A 8 DVA HG22 . 34902 1
90 . 1 . 1 8 8 DVA HG23 H 1 0.92 0.00 . 2 . . . . A 8 DVA HG23 . 34902 1
91 . 1 . 1 9 9 DLE H H 1 7.85 0.00 . 1 . . . . A 9 DLE H . 34902 1
92 . 1 . 1 9 9 DLE CA C 13 54.6 0.00 . 1 . . . . A 9 DLE CA . 34902 1
93 . 1 . 1 9 9 DLE CB C 13 38.6 0.00 . 1 . . . . A 9 DLE CB . 34902 1
94 . 1 . 1 9 9 DLE CD1 C 13 20.9 0.00 . 2 . . . . A 9 DLE CD1 . 34902 1
95 . 1 . 1 9 9 DLE CD2 C 13 22.3 0.00 . 2 . . . . A 9 DLE CD2 . 34902 1
96 . 1 . 1 9 9 DLE CG C 13 24.5 0.00 . 1 . . . . A 9 DLE CG . 34902 1
97 . 1 . 1 9 9 DLE HA H 1 4.04 0.00 . 1 . . . . A 9 DLE HA . 34902 1
98 . 1 . 1 9 9 DLE HB2 H 1 1.82 0.00 . 2 . . . . A 9 DLE HB2 . 34902 1
99 . 1 . 1 9 9 DLE HB3 H 1 1.62 0.00 . 2 . . . . A 9 DLE HB3 . 34902 1
100 . 1 . 1 9 9 DLE HD11 H 1 0.86 0.00 . 2 . . . . A 9 DLE HD11 . 34902 1
101 . 1 . 1 9 9 DLE HD12 H 1 0.86 0.00 . 2 . . . . A 9 DLE HD12 . 34902 1
102 . 1 . 1 9 9 DLE HD13 H 1 0.86 0.00 . 2 . . . . A 9 DLE HD13 . 34902 1
103 . 1 . 1 9 9 DLE HD21 H 1 0.85 0.00 . 2 . . . . A 9 DLE HD21 . 34902 1
104 . 1 . 1 9 9 DLE HD22 H 1 0.85 0.00 . 2 . . . . A 9 DLE HD22 . 34902 1
105 . 1 . 1 9 9 DLE HD23 H 1 0.85 0.00 . 2 . . . . A 9 DLE HD23 . 34902 1
106 . 1 . 1 9 9 DLE HG H 1 1.82 0.00 . 1 . . . . A 9 DLE HG . 34902 1
107 . 1 . 1 10 10 DSN H H 1 7.46 0.00 . 1 . . . . A 10 DSN H . 34902 1
108 . 1 . 1 10 10 DSN CA C 13 51.7 0.00 . 1 . . . . A 10 DSN CA . 34902 1
109 . 1 . 1 10 10 DSN CB C 13 66.4 0.00 . 1 . . . . A 10 DSN CB . 34902 1
110 . 1 . 1 10 10 DSN HA H 1 4.96 0.00 . 1 . . . . A 10 DSN HA . 34902 1
111 . 1 . 1 10 10 DSN HB2 H 1 4.88 0.00 . 2 . . . . A 10 DSN HB2 . 34902 1
112 . 1 . 1 10 10 DSN HB3 H 1 4.19 0.00 . 2 . . . . A 10 DSN HB3 . 34902 1
113 . 1 . 1 11 11 LEU H H 1 8.17 0.00 . 1 . . . . A 11 LEU H . 34902 1
114 . 1 . 1 11 11 LEU HA H 1 4.19 0.00 . 1 . . . . A 11 LEU HA . 34902 1
115 . 1 . 1 11 11 LEU HB2 H 1 2.07 0.00 . 2 . . . . A 11 LEU HB2 . 34902 1
116 . 1 . 1 11 11 LEU HB3 H 1 1.48 0.00 . 2 . . . . A 11 LEU HB3 . 34902 1
117 . 1 . 1 11 11 LEU HG H 1 1.79 0.00 . 1 . . . . A 11 LEU HG . 34902 1
118 . 1 . 1 11 11 LEU HD11 H 1 0.90 0.00 . 2 . . . . A 11 LEU HD11 . 34902 1
119 . 1 . 1 11 11 LEU HD12 H 1 0.90 0.00 . 2 . . . . A 11 LEU HD12 . 34902 1
120 . 1 . 1 11 11 LEU HD13 H 1 0.90 0.00 . 2 . . . . A 11 LEU HD13 . 34902 1
121 . 1 . 1 11 11 LEU HD21 H 1 0.84 0.00 . 2 . . . . A 11 LEU HD21 . 34902 1
122 . 1 . 1 11 11 LEU HD22 H 1 0.84 0.00 . 2 . . . . A 11 LEU HD22 . 34902 1
123 . 1 . 1 11 11 LEU HD23 H 1 0.84 0.00 . 2 . . . . A 11 LEU HD23 . 34902 1
124 . 1 . 1 11 11 LEU CA C 13 54.5 0.00 . 1 . . . . A 11 LEU CA . 34902 1
125 . 1 . 1 11 11 LEU CB C 13 39.8 0.00 . 1 . . . . A 11 LEU CB . 34902 1
126 . 1 . 1 11 11 LEU CG C 13 24.5 0.00 . 1 . . . . A 11 LEU CG . 34902 1
127 . 1 . 1 11 11 LEU CD1 C 13 22.9 0.00 . 2 . . . . A 11 LEU CD1 . 34902 1
128 . 1 . 1 11 11 LEU CD2 C 13 20.8 0.00 . 2 . . . . A 11 LEU CD2 . 34902 1
129 . 1 . 1 12 12 VAL H H 1 7.44 0.00 . 1 . . . . A 12 VAL H . 34902 1
130 . 1 . 1 12 12 VAL HA H 1 3.55 0.00 . 1 . . . . A 12 VAL HA . 34902 1
131 . 1 . 1 12 12 VAL HB H 1 1.89 0.00 . 1 . . . . A 12 VAL HB . 34902 1
132 . 1 . 1 12 12 VAL HG11 H 1 0.86 0.00 . 2 . . . . A 12 VAL HG11 . 34902 1
133 . 1 . 1 12 12 VAL HG12 H 1 0.86 0.00 . 2 . . . . A 12 VAL HG12 . 34902 1
134 . 1 . 1 12 12 VAL HG13 H 1 0.86 0.00 . 2 . . . . A 12 VAL HG13 . 34902 1
135 . 1 . 1 12 12 VAL HG21 H 1 0.81 0.00 . 2 . . . . A 12 VAL HG21 . 34902 1
136 . 1 . 1 12 12 VAL HG22 H 1 0.81 0.00 . 2 . . . . A 12 VAL HG22 . 34902 1
137 . 1 . 1 12 12 VAL HG23 H 1 0.81 0.00 . 2 . . . . A 12 VAL HG23 . 34902 1
138 . 1 . 1 12 12 VAL CA C 13 61.9 0.00 . 1 . . . . A 12 VAL CA . 34902 1
139 . 1 . 1 12 12 VAL CB C 13 28.7 0.00 . 1 . . . . A 12 VAL CB . 34902 1
140 . 1 . 1 12 12 VAL CG1 C 13 18.6 0.00 . 2 . . . . A 12 VAL CG1 . 34902 1
141 . 1 . 1 12 12 VAL CG2 C 13 18.9 0.00 . 2 . . . . A 12 VAL CG2 . 34902 1
142 . 1 . 1 13 13 SER H H 1 8.63 0.00 . 1 . . . . A 13 SER H . 34902 1
143 . 1 . 1 13 13 SER HA H 1 4.72 0.00 . 1 . . . . A 13 SER HA . 34902 1
144 . 1 . 1 13 13 SER HB2 H 1 4.01 0.00 . 2 . . . . A 13 SER HB2 . 34902 1
145 . 1 . 1 13 13 SER HB3 H 1 3.68 0.00 . 2 . . . . A 13 SER HB3 . 34902 1
146 . 1 . 1 13 13 SER CB C 13 62.0 0.00 . 1 . . . . A 13 SER CB . 34902 1
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