Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15218
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 .
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_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 DQF-COSY' . . . 15218 1
2 '2D 1H-1H NOESY' . . . 15218 1
3 '2D 1H-13C HSQC' . . . 15218 1
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_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 $XEASY . . 15218 1
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_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.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 ALA HA H 1 4.150 0.005 . 1 . . . . 1 ALA HA . 15218 1
2 . 1 1 1 1 ALA HB1 H 1 1.482 0.005 . 1 . . . . 1 ALA HB . 15218 1
3 . 1 1 1 1 ALA HB2 H 1 1.482 0.005 . 1 . . . . 1 ALA HB . 15218 1
4 . 1 1 1 1 ALA HB3 H 1 1.482 0.005 . 1 . . . . 1 ALA HB . 15218 1
5 . 1 1 1 1 ALA CA C 13 51.0 0.1 . 1 . . . . 1 ALA CA . 15218 1
6 . 1 1 1 1 ALA CB C 13 18.7 0.1 . 1 . . . . 1 ALA CB . 15218 1
7 . 1 1 2 2 THR HA H 1 4.352 0.005 . 1 . . . . 2 THR HA . 15218 1
8 . 1 1 2 2 THR HB H 1 4.122 0.005 . 1 . . . . 2 THR HB . 15218 1
9 . 1 1 2 2 THR HG21 H 1 1.220 0.005 . 1 . . . . 2 THR HG2 . 15218 1
10 . 1 1 2 2 THR HG22 H 1 1.220 0.005 . 1 . . . . 2 THR HG2 . 15218 1
11 . 1 1 2 2 THR HG23 H 1 1.220 0.005 . 1 . . . . 2 THR HG2 . 15218 1
12 . 1 1 2 2 THR CG2 C 13 21.0 0.1 . 1 . . . . 2 THR CG2 . 15218 1
13 . 1 1 3 3 TRP H H 1 8.390 0.005 . 1 . . . . 3 TRP H . 15218 1
14 . 1 1 3 3 TRP HA H 1 4.634 0.005 . 1 . . . . 3 TRP HA . 15218 1
15 . 1 1 3 3 TRP HB2 H 1 3.250 0.005 . 1 . . . . 3 TRP HB2 . 15218 1
16 . 1 1 3 3 TRP HB3 H 1 3.250 0.005 . 1 . . . . 3 TRP HB3 . 15218 1
17 . 1 1 3 3 TRP HD1 H 1 7.259 0.005 . 1 . . . . 3 TRP HD1 . 15218 1
18 . 1 1 3 3 TRP HE1 H 1 10.300 0.005 . 1 . . . . 3 TRP HE1 . 15218 1
19 . 1 1 3 3 TRP HE3 H 1 7.580 0.005 . 1 . . . . 3 TRP HE3 . 15218 1
20 . 1 1 3 3 TRP HZ2 H 1 7.488 0.005 . 1 . . . . 3 TRP HZ2 . 15218 1
21 . 1 1 3 3 TRP HZ3 H 1 7.136 0.005 . 1 . . . . 3 TRP HZ3 . 15218 1
22 . 1 1 3 3 TRP HH2 H 1 7.270 0.005 . 1 . . . . 3 TRP HH2 . 15218 1
23 . 1 1 3 3 TRP CA C 13 57.1 0.1 . 1 . . . . 3 TRP CA . 15218 1
24 . 1 1 3 3 TRP CB C 13 29.2 0.1 . 1 . . . . 3 TRP CB . 15218 1
25 . 1 1 3 3 TRP CD1 C 13 124.1 0.1 . 1 . . . . 3 TRP CD1 . 15218 1
26 . 1 1 3 3 TRP CE3 C 13 120.4 0.1 . 1 . . . . 3 TRP CE3 . 15218 1
27 . 1 1 3 3 TRP CZ2 C 13 114.2 0.1 . 1 . . . . 3 TRP CZ2 . 15218 1
28 . 1 1 3 3 TRP CZ3 C 13 121.6 0.1 . 1 . . . . 3 TRP CZ3 . 15218 1
29 . 1 1 3 3 TRP CH2 C 13 126.7 0.1 . 1 . . . . 3 TRP CH2 . 15218 1
30 . 1 1 4 4 LEU H H 1 7.770 0.005 . 1 . . . . 4 LEU H . 15218 1
31 . 1 1 4 4 LEU HA H 1 4.523 0.005 . 1 . . . . 4 LEU HA . 15218 1
32 . 1 1 4 4 LEU HB2 H 1 1.395 0.005 . 1 . . . . 4 LEU HB2 . 15218 1
33 . 1 1 4 4 LEU HB3 H 1 1.395 0.005 . 1 . . . . 4 LEU HB3 . 15218 1
34 . 1 1 4 4 LEU HG H 1 1.485 0.005 . 1 . . . . 4 LEU HG . 15218 1
35 . 1 1 4 4 LEU HD11 H 1 0.855 0.005 . 1 . . . . 4 LEU HD1 . 15218 1
36 . 1 1 4 4 LEU HD12 H 1 0.855 0.005 . 1 . . . . 4 LEU HD1 . 15218 1
37 . 1 1 4 4 LEU HD13 H 1 0.855 0.005 . 1 . . . . 4 LEU HD1 . 15218 1
38 . 1 1 4 4 LEU HD21 H 1 0.891 0.005 . 1 . . . . 4 LEU HD2 . 15218 1
39 . 1 1 4 4 LEU HD22 H 1 0.891 0.005 . 1 . . . . 4 LEU HD2 . 15218 1
40 . 1 1 4 4 LEU HD23 H 1 0.891 0.005 . 1 . . . . 4 LEU HD2 . 15218 1
41 . 1 1 4 4 LEU CA C 13 51.3 0.1 . 1 . . . . 4 LEU CA . 15218 1
42 . 1 1 4 4 LEU CB C 13 42.2 0.1 . 1 . . . . 4 LEU CB . 15218 1
43 . 1 1 4 4 LEU CG C 13 26.5 0.1 . 1 . . . . 4 LEU CG . 15218 1
44 . 1 1 4 4 LEU CD1 C 13 23.1 0.1 . 1 . . . . 4 LEU CD1 . 15218 1
45 . 1 1 4 4 LEU CD2 C 13 24.7 0.1 . 1 . . . . 4 LEU CD2 . 15218 1
46 . 1 1 5 5 PRO HA H 1 4.272 0.005 . 1 . . . . 5 PRO HA . 15218 1
47 . 1 1 5 5 PRO HB2 H 1 1.859 0.005 . 1 . . . . 5 PRO HB2 . 15218 1
48 . 1 1 5 5 PRO HB3 H 1 2.308 0.005 . 1 . . . . 5 PRO HB3 . 15218 1
49 . 1 1 5 5 PRO HG2 H 1 1.967 0.005 . 1 . . . . 5 PRO HG2 . 15218 1
50 . 1 1 5 5 PRO HG3 H 1 1.967 0.005 . 1 . . . . 5 PRO HG3 . 15218 1
51 . 1 1 5 5 PRO HD2 H 1 3.486 0.005 . 2 . . . . 5 PRO HD2 . 15218 1
52 . 1 1 5 5 PRO HD3 H 1 3.528 0.005 . 2 . . . . 5 PRO HD3 . 15218 1
53 . 1 1 5 5 PRO CA C 13 60.3 0.1 . 1 . . . . 5 PRO CA . 15218 1
54 . 1 1 5 5 PRO CB C 13 30.4 0.1 . 1 . . . . 5 PRO CB . 15218 1
55 . 1 1 5 5 PRO CG C 13 26.6 0.1 . 1 . . . . 5 PRO CG . 15218 1
56 . 1 1 5 5 PRO CD C 13 49.6 0.1 . 1 . . . . 5 PRO CD . 15218 1
57 . 1 1 6 6 PRO HA H 1 4.370 0.005 . 1 . . . . 6 PRO HA . 15218 1
58 . 1 1 6 6 PRO HB2 H 1 1.978 0.005 . 1 . . . . 6 PRO HB2 . 15218 1
59 . 1 1 6 6 PRO HB3 H 1 2.296 0.005 . 1 . . . . 6 PRO HB3 . 15218 1
60 . 1 1 6 6 PRO HG2 H 1 2.078 0.005 . 1 . . . . 6 PRO HG2 . 15218 1
61 . 1 1 6 6 PRO HG3 H 1 2.078 0.005 . 1 . . . . 6 PRO HG3 . 15218 1
62 . 1 1 6 6 PRO HD2 H 1 3.716 0.005 . 2 . . . . 6 PRO HD2 . 15218 1
63 . 1 1 6 6 PRO HD3 H 1 3.782 0.005 . 2 . . . . 6 PRO HD3 . 15218 1
64 . 1 1 6 6 PRO CA C 13 61.8 0.1 . 1 . . . . 6 PRO CA . 15218 1
65 . 1 1 6 6 PRO CB C 13 31.5 0.1 . 1 . . . . 6 PRO CB . 15218 1
66 . 1 1 6 6 PRO CG C 13 26.3 0.1 . 1 . . . . 6 PRO CG . 15218 1
67 . 1 1 6 6 PRO CD C 13 50.1 0.1 . 1 . . . . 6 PRO CD . 15218 1
68 . 1 1 7 7 ARG H H 1 7.900 0.005 . 1 . . . . 7 ARG H . 15218 1
69 . 1 1 7 7 ARG HA H 1 4.216 0.005 . 1 . . . . 7 ARG HA . 15218 1
70 . 1 1 7 7 ARG HB2 H 1 1.741 0.005 . 2 . . . . 7 ARG HB2 . 15218 1
71 . 1 1 7 7 ARG HB3 H 1 1.872 0.005 . 2 . . . . 7 ARG HB3 . 15218 1
72 . 1 1 7 7 ARG HG2 H 1 1.620 0.005 . 1 . . . . 7 ARG HG2 . 15218 1
73 . 1 1 7 7 ARG HG3 H 1 1.620 0.005 . 1 . . . . 7 ARG HG3 . 15218 1
74 . 1 1 7 7 ARG HD2 H 1 3.198 0.005 . 1 . . . . 7 ARG HD2 . 15218 1
75 . 1 1 7 7 ARG HD3 H 1 3.198 0.005 . 1 . . . . 7 ARG HD3 . 15218 1
76 . 1 1 7 7 ARG HE H 1 7.160 0.005 . 1 . . . . 7 ARG HE . 15218 1
77 . 1 1 7 7 ARG CA C 13 55.9 0.1 . 1 . . . . 7 ARG CA . 15218 1
78 . 1 1 7 7 ARG CB C 13 30.5 0.1 . 1 . . . . 7 ARG CB . 15218 1
79 . 1 1 7 7 ARG CG C 13 26.3 0.1 . 1 . . . . 7 ARG CG . 15218 1
80 . 1 1 7 7 ARG CD C 13 42.9 0.1 . 1 . . . . 7 ARG CD . 15218 1
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