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 30341
_Assigned_chem_shift_list.ID 1
_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-1H TOCSY' . . . 30341 1
2 '2D 1H-1H NOESY' . . . 30341 1
3 '2D 1H-1H COSY' . . . 30341 1
4 '2D 1H-13C HMBC' . . . 30341 1
5 '2D 1H-13C HSQC' . . . 30341 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 ASP HA H 1 4.200 0.001 . 1 . . 6 . A 1 ASP HA . 30341 1
2 . 1 1 1 1 ASP HB2 H 1 2.685 0.005 . 2 . . 18 . A 1 ASP HB2 . 30341 1
3 . 1 1 1 1 ASP HB3 H 1 2.910 0.002 . 2 . . 19 . A 1 ASP HB3 . 30341 1
4 . 1 1 1 1 ASP H H 1 8.204 0.0 . 1 . . 5 . A 1 ASP H . 30341 1
5 . 1 1 1 1 ASP C C 13 170.591 . . 1 . . 51 . A 1 ASP C . 30341 1
6 . 1 1 1 1 ASP CB C 13 36.483 . . 1 . . 67 . A 1 ASP CB . 30341 1
7 . 1 1 2 2 LEU H H 1 7.473 0.001 . 1 . . 9 . A 2 LEU H . 30341 1
8 . 1 1 2 2 LEU HA H 1 4.202 0.003 . 1 . . 10 . A 2 LEU HA . 30341 1
9 . 1 1 2 2 LEU HB2 H 1 2.352 0.003 . 2 . . 27 . A 2 LEU HB2 . 30341 1
10 . 1 1 2 2 LEU HB3 H 1 1.353 0.007 . 2 . . 38 . A 2 LEU HB3 . 30341 1
11 . 1 1 2 2 LEU HG H 1 1.743 0.004 . 1 . . 45 . A 2 LEU HG . 30341 1
12 . 1 1 2 2 LEU HD11 H 1 0.871 0.006 . 1 . . 39 . A 2 LEU HD11 . 30341 1
13 . 1 1 2 2 LEU HD12 H 1 0.871 0.006 . 1 . . 39 . A 2 LEU HD12 . 30341 1
14 . 1 1 2 2 LEU HD13 H 1 0.871 0.006 . 1 . . 39 . A 2 LEU HD13 . 30341 1
15 . 1 1 2 2 LEU CA C 13 52.288 0.029 . 1 . . 55 . A 2 LEU CA . 30341 1
16 . 1 1 2 2 LEU CB C 13 41.259 . . 1 . . 77 . A 2 LEU CB . 30341 1
17 . 1 1 2 2 LEU CG C 13 25.386 . . 1 . . 76 . A 2 LEU CG . 30341 1
18 . 1 1 3 3 PHE H H 1 7.899 0.001 . 1 . . 11 . A 3 PHE H . 30341 1
19 . 1 1 3 3 PHE HA H 1 4.287 0.002 . 1 . . 12 . A 3 PHE HA . 30341 1
20 . 1 1 3 3 PHE HB2 H 1 2.933 0.002 . 2 . . 22 . A 3 PHE HB2 . 30341 1
21 . 1 1 3 3 PHE HB3 H 1 2.998 0.005 . 2 . . 23 . A 3 PHE HB3 . 30341 1
22 . 1 1 3 3 PHE HD1 H 1 7.033 0.002 . 1 . . 29 . A 3 PHE HD1 . 30341 1
23 . 1 1 3 3 PHE HD2 H 1 7.033 0.002 . 1 . . 29 . A 3 PHE HD2 . 30341 1
24 . 1 1 3 3 PHE HE1 H 1 7.120 0.001 . 1 . . 28 . A 3 PHE HE1 . 30341 1
25 . 1 1 3 3 PHE HE2 H 1 7.120 0.001 . 1 . . 28 . A 3 PHE HE2 . 30341 1
26 . 1 1 3 3 PHE HZ H 1 7.204 0.003 . 1 . . 30 . A 3 PHE HZ . 30341 1
27 . 1 1 3 3 PHE C C 13 173.620 . . 1 . . 48 . A 3 PHE C . 30341 1
28 . 1 1 3 3 PHE CA C 13 58.043 . . 1 . . 58 . A 3 PHE CA . 30341 1
29 . 1 1 3 3 PHE CB C 13 38.831 . . 1 . . 64 . A 3 PHE CB . 30341 1
30 . 1 1 3 3 PHE CZ C 13 127.958 . . 1 . . 75 . A 3 PHE CZ . 30341 1
31 . 1 1 4 4 VAL H H 1 7.276 0.001 . 1 . . 7 . A 4 VAL H . 30341 1
32 . 1 1 4 4 VAL HA H 1 4.012 0.003 . 1 . . 8 . A 4 VAL HA . 30341 1
33 . 1 1 4 4 VAL HB H 1 1.946 0.001 . 1 . . 24 . A 4 VAL HB . 30341 1
34 . 1 1 4 4 VAL HG11 H 1 0.845 . . 2 . . 25 . A 4 VAL HG11 . 30341 1
35 . 1 1 4 4 VAL HG12 H 1 0.845 . . 2 . . 25 . A 4 VAL HG12 . 30341 1
36 . 1 1 4 4 VAL HG13 H 1 0.845 . . 2 . . 25 . A 4 VAL HG13 . 30341 1
37 . 1 1 4 4 VAL HG21 H 1 0.886 0.002 . 2 . . 26 . A 4 VAL HG21 . 30341 1
38 . 1 1 4 4 VAL HG22 H 1 0.886 0.002 . 2 . . 26 . A 4 VAL HG22 . 30341 1
39 . 1 1 4 4 VAL HG23 H 1 0.886 0.002 . 2 . . 26 . A 4 VAL HG23 . 30341 1
40 . 1 1 4 4 VAL C C 13 172.944 0.006 . 1 . . 47 . A 4 VAL C . 30341 1
41 . 1 1 4 4 VAL CA C 13 56.892 . . 1 . . 56 . A 4 VAL CA . 30341 1
42 . 1 1 5 5 PRO HA H 1 4.854 0.003 . 1 . . 34 . A 5 PRO HA . 30341 1
43 . 1 1 5 5 PRO HB2 H 1 2.319 0.002 . 1 . . 36 . A 5 PRO HB2 . 30341 1
44 . 1 1 5 5 PRO HG2 H 1 1.791 0.004 . 1 . . 37 . A 5 PRO HG2 . 30341 1
45 . 1 1 5 5 PRO HD2 H 1 3.625 0.001 . 1 . . 35 . A 5 PRO HD2 . 30341 1
46 . 1 1 5 5 PRO CA C 13 60.061 . . 1 . . 60 . A 5 PRO CA . 30341 1
47 . 1 1 5 5 PRO CB C 13 31.948 0.0 . 1 . . 71 . A 5 PRO CB . 30341 1
48 . 1 1 5 5 PRO CG C 13 22.982 0.016 . 1 . . 72 . A 5 PRO CG . 30341 1
49 . 1 1 5 5 PRO CD C 13 47.620 . . 1 . . 65 . A 5 PRO CD . 30341 1
50 . 1 1 6 6 PRO HA H 1 4.639 0.003 . 1 . . 15 . A 6 PRO HA . 30341 1
51 . 1 1 6 6 PRO HB2 H 1 1.774 0.001 . 2 . . 16 . A 6 PRO HB2 . 30341 1
52 . 1 1 6 6 PRO HB3 H 1 1.937 0.004 . 2 . . 32 . A 6 PRO HB3 . 30341 1
53 . 1 1 6 6 PRO HG2 H 1 2.133 0.001 . 2 . . 31 . A 6 PRO HG2 . 30341 1
54 . 1 1 6 6 PRO HG3 H 1 1.999 0.001 . 2 . . 44 . A 6 PRO HG3 . 30341 1
55 . 1 1 6 6 PRO HD2 H 1 3.565 0.002 . 1 . . 33 . A 6 PRO HD2 . 30341 1
56 . 1 1 6 6 PRO CA C 13 60.875 . . 1 . . 61 . A 6 PRO CA . 30341 1
57 . 1 1 6 6 PRO CB C 13 33.901 . . 1 . . 69 . A 6 PRO CB . 30341 1
58 . 1 1 6 6 PRO CG C 13 26.734 . . 1 . . 78 . A 6 PRO CG . 30341 1
59 . 1 1 6 6 PRO CD C 13 48.094 . . 1 . . 66 . A 6 PRO CD . 30341 1
60 . 1 1 7 7 ILE H H 1 7.981 0.001 . 1 . . 13 . A 7 ILE H . 30341 1
61 . 1 1 7 7 ILE HA H 1 4.299 0.002 . 1 . . 14 . A 7 ILE HA . 30341 1
62 . 1 1 7 7 ILE HB H 1 1.570 0.003 . 1 . . 41 . A 7 ILE HB . 30341 1
63 . 1 1 7 7 ILE HG12 H 1 0.869 0.0 . 2 . . 40 . A 7 ILE HG12 . 30341 1
64 . 1 1 7 7 ILE HG13 H 1 0.784 0.005 . 2 . . 43 . A 7 ILE HG13 . 30341 1
65 . 1 1 7 7 ILE HG21 H 1 0.719 0.003 . 1 . . 42 . A 7 ILE HG21 . 30341 1
66 . 1 1 7 7 ILE HG22 H 1 0.719 0.003 . 1 . . 42 . A 7 ILE HG22 . 30341 1
67 . 1 1 7 7 ILE HG23 H 1 0.719 0.003 . 1 . . 42 . A 7 ILE HG23 . 30341 1
68 . 1 1 7 7 ILE HD11 H 1 1.322 0.002 . 1 . . 46 . A 7 ILE HD11 . 30341 1
69 . 1 1 7 7 ILE HD12 H 1 1.322 0.002 . 1 . . 46 . A 7 ILE HD12 . 30341 1
70 . 1 1 7 7 ILE HD13 H 1 1.322 0.002 . 1 . . 46 . A 7 ILE HD13 . 30341 1
71 . 1 1 7 7 ILE C C 13 171.788 . . 1 . . 49 . A 7 ILE C . 30341 1
72 . 1 1 7 7 ILE CA C 13 57.552 . . 1 . . 59 . A 7 ILE CA . 30341 1
73 . 1 1 7 7 ILE CB C 13 39.939 0.045 . 1 . . 73 . A 7 ILE CB . 30341 1
74 . 1 1 7 7 ILE CG1 C 13 23.209 . . 1 . . 79 . A 7 ILE CG1 . 30341 1
75 . 1 1 7 7 ILE CG2 C 13 16.618 . . 1 . . 52 . A 7 ILE CG2 . 30341 1
76 . 1 1 8 8 ASP H H 1 9.004 0.001 . 1 . . 1 . A 8 ASP H . 30341 1
77 . 1 1 8 8 ASP HA H 1 3.896 0.003 . 1 . . 4 . A 8 ASP HA . 30341 1
78 . 1 1 8 8 ASP HB2 H 1 2.602 0.003 . 2 . . 20 . A 8 ASP HB2 . 30341 1
79 . 1 1 8 8 ASP HB3 H 1 2.913 0.008 . 2 . . 21 . A 8 ASP HB3 . 30341 1
80 . 1 1 8 8 ASP CA C 13 53.386 0.03 . 1 . . 57 . A 8 ASP CA . 30341 1
81 . 1 1 8 8 ASP CB C 13 35.775 0.016 . 1 . . 68 . A 8 ASP CB . 30341 1
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