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 34903
_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' . . . 34903 1
2 '2D 1H-1H TOCSY' . . . 34903 1
3 '2D 1H-1H COSY' . . . 34903 1
4 '2D 1H-13C HSQC' . . . 34903 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 IG8 CA C 13 43.7 0.00 . 1 . . . . A 1 IG8 CA . 34903 1
2 . 1 . 1 1 1 IG8 CB C 13 68.4 0.00 . 1 . . . . A 1 IG8 CB . 34903 1
3 . 1 . 1 1 1 IG8 HA1 H 1 2.78 0.00 . 2 . . . . A 1 IG8 HA1 . 34903 1
4 . 1 . 1 1 1 IG8 HA2 H 1 2.53 0.00 . 2 . . . . A 1 IG8 HA2 . 34903 1
5 . 1 . 1 1 1 IG8 HB H 1 4.18 0.00 . 1 . . . . A 1 IG8 HB . 34903 1
6 . 1 . 1 2 2 LEU H H 1 9.43 0.00 . 1 . . . . A 2 LEU H . 34903 1
7 . 1 . 1 2 2 LEU HA H 1 4.00 0.00 . 1 . . . . A 2 LEU HA . 34903 1
8 . 1 . 1 2 2 LEU HB2 H 1 1.89 0.00 . 2 . . . . A 2 LEU HB2 . 34903 1
9 . 1 . 1 2 2 LEU HB3 H 1 1.67 0.00 . 2 . . . . A 2 LEU HB3 . 34903 1
10 . 1 . 1 2 2 LEU HG H 1 1.82 0.00 . 1 . . . . A 2 LEU HG . 34903 1
11 . 1 . 1 2 2 LEU HD11 H 1 0.97 0.00 . 2 . . . . A 2 LEU HD11 . 34903 1
12 . 1 . 1 2 2 LEU HD12 H 1 0.97 0.00 . 2 . . . . A 2 LEU HD12 . 34903 1
13 . 1 . 1 2 2 LEU HD13 H 1 0.97 0.00 . 2 . . . . A 2 LEU HD13 . 34903 1
14 . 1 . 1 2 2 LEU HD21 H 1 0.97 0.00 . 2 . . . . A 2 LEU HD21 . 34903 1
15 . 1 . 1 2 2 LEU HD22 H 1 0.97 0.00 . 2 . . . . A 2 LEU HD22 . 34903 1
16 . 1 . 1 2 2 LEU HD23 H 1 0.97 0.00 . 2 . . . . A 2 LEU HD23 . 34903 1
17 . 1 . 1 2 2 LEU CA C 13 52.1 0.00 . 1 . . . . A 2 LEU CA . 34903 1
18 . 1 . 1 2 2 LEU CB C 13 38.7 0.00 . 1 . . . . A 2 LEU CB . 34903 1
19 . 1 . 1 2 2 LEU CG C 13 24.4 0.00 . 1 . . . . A 2 LEU CG . 34903 1
20 . 1 . 1 2 2 LEU CD1 C 13 23.0 0.00 . 2 . . . . A 2 LEU CD1 . 34903 1
21 . 1 . 1 2 2 LEU CD2 C 13 21.7 0.00 . 2 . . . . A 2 LEU CD2 . 34903 1
22 . 1 . 1 3 3 DGL H H 1 8.97 0.00 . 1 . . . . A 3 DGL H . 34903 1
23 . 1 . 1 3 3 DGL CA C 13 56.8 0.00 . 1 . . . . A 3 DGL CA . 34903 1
24 . 1 . 1 3 3 DGL CB C 13 26.9 0.00 . 1 . . . . A 3 DGL CB . 34903 1
25 . 1 . 1 3 3 DGL CG C 13 33.8 0.00 . 1 . . . . A 3 DGL CG . 34903 1
26 . 1 . 1 3 3 DGL HA H 1 4.13 0.00 . 1 . . . . A 3 DGL HA . 34903 1
27 . 1 . 1 3 3 DGL HB2 H 1 2.08 0.00 . 2 . . . . A 3 DGL HB2 . 34903 1
28 . 1 . 1 3 3 DGL HB3 H 1 2.08 0.00 . 2 . . . . A 3 DGL HB3 . 34903 1
29 . 1 . 1 3 3 DGL HG2 H 1 2.36 0.00 . 2 . . . . A 3 DGL HG2 . 34903 1
30 . 1 . 1 3 3 DGL HG3 H 1 2.31 0.00 . 2 . . . . A 3 DGL HG3 . 34903 1
31 . 1 . 1 4 4 2TL H H 1 7.93 0.00 . 1 . . . . A 4 2TL H . 34903 1
32 . 1 . 1 4 4 2TL CA C 13 60.3 0.00 . 1 . . . . A 4 2TL CA . 34903 1
33 . 1 . 1 4 4 2TL CB C 13 70.5 0.00 . 1 . . . . A 4 2TL CB . 34903 1
34 . 1 . 1 4 4 2TL CG2 C 13 17.5 0.00 . 1 . . . . A 4 2TL CG2 . 34903 1
35 . 1 . 1 4 4 2TL HA H 1 4.26 0.00 . 1 . . . . A 4 2TL HA . 34903 1
36 . 1 . 1 4 4 2TL HB H 1 5.42 0.00 . 1 . . . . A 4 2TL HB . 34903 1
37 . 1 . 1 4 4 2TL HG21 H 1 1.41 0.00 . 1 . . . . A 4 2TL HG21 . 34903 1
38 . 1 . 1 4 4 2TL HG22 H 1 1.41 0.00 . 1 . . . . A 4 2TL HG22 . 34903 1
39 . 1 . 1 4 4 2TL HG23 H 1 1.41 0.00 . 1 . . . . A 4 2TL HG23 . 34903 1
40 . 1 . 1 5 5 DVA H H 1 8.22 0.00 . 1 . . . . A 5 DVA H . 34903 1
41 . 1 . 1 5 5 DVA CA C 13 64.9 0.00 . 1 . . . . A 5 DVA CA . 34903 1
42 . 1 . 1 5 5 DVA CB C 13 28.9 0.00 . 1 . . . . A 5 DVA CB . 34903 1
43 . 1 . 1 5 5 DVA CG1 C 13 20.3 0.00 . 2 . . . . A 5 DVA CG1 . 34903 1
44 . 1 . 1 5 5 DVA CG2 C 13 19.0 0.00 . 2 . . . . A 5 DVA CG2 . 34903 1
45 . 1 . 1 5 5 DVA HA H 1 3.44 0.00 . 1 . . . . A 5 DVA HA . 34903 1
46 . 1 . 1 5 5 DVA HB H 1 2.29 0.00 . 1 . . . . A 5 DVA HB . 34903 1
47 . 1 . 1 5 5 DVA HG11 H 1 1.00 0.00 . 2 . . . . A 5 DVA HG11 . 34903 1
48 . 1 . 1 5 5 DVA HG12 H 1 1.00 0.00 . 2 . . . . A 5 DVA HG12 . 34903 1
49 . 1 . 1 5 5 DVA HG13 H 1 1.00 0.00 . 2 . . . . A 5 DVA HG13 . 34903 1
50 . 1 . 1 5 5 DVA HG21 H 1 0.98 0.00 . 2 . . . . A 5 DVA HG21 . 34903 1
51 . 1 . 1 5 5 DVA HG22 H 1 0.98 0.00 . 2 . . . . A 5 DVA HG22 . 34903 1
52 . 1 . 1 5 5 DVA HG23 H 1 0.98 0.00 . 2 . . . . A 5 DVA HG23 . 34903 1
53 . 1 . 1 6 6 LEU H H 1 8.55 0.00 . 1 . . . . A 6 LEU H . 34903 1
54 . 1 . 1 6 6 LEU HA H 1 3.94 0.00 . 1 . . . . A 6 LEU HA . 34903 1
55 . 1 . 1 6 6 LEU HB2 H 1 2.07 0.00 . 2 . . . . A 6 LEU HB2 . 34903 1
56 . 1 . 1 6 6 LEU HB3 H 1 1.68 0.00 . 2 . . . . A 6 LEU HB3 . 34903 1
57 . 1 . 1 6 6 LEU HG H 1 1.68 0.00 . 1 . . . . A 6 LEU HG . 34903 1
58 . 1 . 1 6 6 LEU HD11 H 1 0.99 0.00 . 2 . . . . A 6 LEU HD11 . 34903 1
59 . 1 . 1 6 6 LEU HD12 H 1 0.99 0.00 . 2 . . . . A 6 LEU HD12 . 34903 1
60 . 1 . 1 6 6 LEU HD13 H 1 0.99 0.00 . 2 . . . . A 6 LEU HD13 . 34903 1
61 . 1 . 1 6 6 LEU HD21 H 1 0.95 0.00 . 2 . . . . A 6 LEU HD21 . 34903 1
62 . 1 . 1 6 6 LEU HD22 H 1 0.95 0.00 . 2 . . . . A 6 LEU HD22 . 34903 1
63 . 1 . 1 6 6 LEU HD23 H 1 0.95 0.00 . 2 . . . . A 6 LEU HD23 . 34903 1
64 . 1 . 1 6 6 LEU CA C 13 53.0 0.00 . 1 . . . . A 6 LEU CA . 34903 1
65 . 1 . 1 6 6 LEU CB C 13 41.1 0.00 . 1 . . . . A 6 LEU CB . 34903 1
66 . 1 . 1 6 6 LEU CG C 13 24.8 0.00 . 1 . . . . A 6 LEU CG . 34903 1
67 . 1 . 1 6 6 LEU CD1 C 13 21.4 0.00 . 2 . . . . A 6 LEU CD1 . 34903 1
68 . 1 . 1 6 6 LEU CD2 C 13 23.6 0.00 . 2 . . . . A 6 LEU CD2 . 34903 1
69 . 1 . 1 7 7 DSN H H 1 7.37 0.00 . 1 . . . . A 7 DSN H . 34903 1
70 . 1 . 1 7 7 DSN CB C 13 63.1 0.00 . 1 . . . . A 7 DSN CB . 34903 1
71 . 1 . 1 7 7 DSN HA H 1 4.60 0.00 . 1 . . . . A 7 DSN HA . 34903 1
72 . 1 . 1 7 7 DSN HB2 H 1 4.22 0.00 . 2 . . . . A 7 DSN HB2 . 34903 1
73 . 1 . 1 7 7 DSN HB3 H 1 4.02 0.00 . 2 . . . . A 7 DSN HB3 . 34903 1
74 . 1 . 1 8 8 LEU H H 1 7.89 0.00 . 1 . . . . A 8 LEU H . 34903 1
75 . 1 . 1 8 8 LEU HA H 1 4.28 0.00 . 1 . . . . A 8 LEU HA . 34903 1
76 . 1 . 1 8 8 LEU HB2 H 1 2.09 0.00 . 2 . . . . A 8 LEU HB2 . 34903 1
77 . 1 . 1 8 8 LEU HB3 H 1 2.09 0.00 . 2 . . . . A 8 LEU HB3 . 34903 1
78 . 1 . 1 8 8 LEU HG H 1 2.09 0.00 . 1 . . . . A 8 LEU HG . 34903 1
79 . 1 . 1 8 8 LEU HD11 H 1 1.05 0.00 . 2 . . . . A 8 LEU HD11 . 34903 1
80 . 1 . 1 8 8 LEU HD12 H 1 1.05 0.00 . 2 . . . . A 8 LEU HD12 . 34903 1
81 . 1 . 1 8 8 LEU HD13 H 1 1.05 0.00 . 2 . . . . A 8 LEU HD13 . 34903 1
82 . 1 . 1 8 8 LEU HD21 H 1 1.00 0.00 . 2 . . . . A 8 LEU HD21 . 34903 1
83 . 1 . 1 8 8 LEU HD22 H 1 1.00 0.00 . 2 . . . . A 8 LEU HD22 . 34903 1
84 . 1 . 1 8 8 LEU HD23 H 1 1.00 0.00 . 2 . . . . A 8 LEU HD23 . 34903 1
85 . 1 . 1 8 8 LEU CA C 13 54.3 0.00 . 1 . . . . A 8 LEU CA . 34903 1
86 . 1 . 1 8 8 LEU CG C 13 24.5 0.00 . 1 . . . . A 8 LEU CG . 34903 1
87 . 1 . 1 8 8 LEU CD1 C 13 21.2 0.00 . 2 . . . . A 8 LEU CD1 . 34903 1
88 . 1 . 1 8 8 LEU CD2 C 13 23.0 0.00 . 2 . . . . A 8 LEU CD2 . 34903 1
89 . 1 . 1 9 9 DSN H H 1 8.30 0.00 . 1 . . . . A 9 DSN H . 34903 1
90 . 1 . 1 9 9 DSN CB C 13 61.8 0.00 . 1 . . . . A 9 DSN CB . 34903 1
91 . 1 . 1 9 9 DSN HA H 1 4.65 0.00 . 1 . . . . A 9 DSN HA . 34903 1
92 . 1 . 1 9 9 DSN HB2 H 1 4.00 0.00 . 2 . . . . A 9 DSN HB2 . 34903 1
93 . 1 . 1 9 9 DSN HB3 H 1 3.87 0.00 . 2 . . . . A 9 DSN HB3 . 34903 1
94 . 1 . 1 10 10 ILE H H 1 6.87 0.00 . 1 . . . . A 10 ILE H . 34903 1
95 . 1 . 1 10 10 ILE HA H 1 4.71 0.00 . 1 . . . . A 10 ILE HA . 34903 1
96 . 1 . 1 10 10 ILE HB H 1 2.10 0.00 . 1 . . . . A 10 ILE HB . 34903 1
97 . 1 . 1 10 10 ILE HG12 H 1 1.23 0.00 . 1 . . . . A 10 ILE HG12 . 34903 1
98 . 1 . 1 10 10 ILE HG13 H 1 1.03 0.00 . 1 . . . . A 10 ILE HG13 . 34903 1
99 . 1 . 1 10 10 ILE HG21 H 1 0.92 0.00 . 1 . . . . A 10 ILE HG21 . 34903 1
100 . 1 . 1 10 10 ILE HG22 H 1 0.92 0.00 . 1 . . . . A 10 ILE HG22 . 34903 1
101 . 1 . 1 10 10 ILE HG23 H 1 0.92 0.00 . 1 . . . . A 10 ILE HG23 . 34903 1
102 . 1 . 1 10 10 ILE HD11 H 1 0.92 0.00 . 1 . . . . A 10 ILE HD11 . 34903 1
103 . 1 . 1 10 10 ILE HD12 H 1 0.92 0.00 . 1 . . . . A 10 ILE HD12 . 34903 1
104 . 1 . 1 10 10 ILE HD13 H 1 0.92 0.00 . 1 . . . . A 10 ILE HD13 . 34903 1
105 . 1 . 1 10 10 ILE CB C 13 36.2 0.00 . 1 . . . . A 10 ILE CB . 34903 1
106 . 1 . 1 10 10 ILE CG1 C 13 24.2 0.00 . 1 . . . . A 10 ILE CG1 . 34903 1
107 . 1 . 1 10 10 ILE CG2 C 13 13.9 0.00 . 1 . . . . A 10 ILE CG2 . 34903 1
108 . 1 . 1 10 10 ILE CD1 C 13 11.8 0.00 . 1 . . . . A 10 ILE CD1 . 34903 1
stop_
save_