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 17726
_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 .
_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
2 '2D 1H-1H NOESY' . . . 17726 1
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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.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 SER HA H 1 3.887 0.02 . 1 . . . A 1 SER HA . 17726 1
2 . 1 1 1 1 SER HB2 H 1 3.658 0.02 . 2 . . . A 1 SER HB2 . 17726 1
3 . 1 1 1 1 SER HB3 H 1 3.472 0.02 . 2 . . . . 1 SER HB3 . 17726 1
4 . 1 1 1 1 SER CA C 13 54.190 0.30 . 1 . . . A 1 SER CA . 17726 1
5 . 1 1 1 1 SER CB C 13 59.950 0.30 . 1 . . . A 1 SER CB . 17726 1
6 . 1 1 2 2 CYS H H 1 8.517 0.02 . 1 . . . . 2 CYS H . 17726 1
7 . 1 1 2 2 CYS HA H 1 4.250 0.02 . 1 . . . A 2 CYS HA . 17726 1
8 . 1 1 2 2 CYS HB2 H 1 2.815 0.02 . 2 . . . A 2 CYS HB2 . 17726 1
9 . 1 1 2 2 CYS HB3 H 1 2.771 0.02 . 2 . . . . 2 CYS HB3 . 17726 1
10 . 1 1 2 2 CYS CA C 13 52.420 0.30 . 1 . . . A 2 CYS CA . 17726 1
11 . 1 1 2 2 CYS CB C 13 39.840 0.30 . 1 . . . A 2 CYS CB . 17726 1
12 . 1 1 3 3 SER H H 1 8.192 0.02 . 1 . . . . 3 SER H . 17726 1
13 . 1 1 3 3 SER HA H 1 4.151 0.02 . 1 . . . A 3 SER HA . 17726 1
14 . 1 1 3 3 SER HB2 H 1 3.450 0.02 . 2 . . . A 3 SER HB2 . 17726 1
15 . 1 1 3 3 SER HB3 H 1 3.268 0.02 . 2 . . . . 3 SER HB3 . 17726 1
16 . 1 1 3 3 SER CA C 13 53.820 0.30 . 1 . . . A 3 SER CA . 17726 1
17 . 1 1 3 3 SER CB C 13 60.750 0.30 . 1 . . . A 3 SER CB . 17726 1
18 . 1 1 4 4 CYS H H 1 8.573 0.02 . 1 . . . . 4 CYS H . 17726 1
19 . 1 1 4 4 CYS HA H 1 3.947 0.02 . 1 . . . A 4 CYS HA . 17726 1
20 . 1 1 4 4 CYS HB2 H 1 2.727 0.02 . 2 . . . A 4 CYS HB2 . 17726 1
21 . 1 1 4 4 CYS HB3 H 1 2.369 0.02 . 2 . . . . 4 CYS HB3 . 17726 1
22 . 1 1 4 4 CYS CA C 13 53.950 0.30 . 1 . . . A 4 CYS CA . 17726 1
23 . 1 1 4 4 CYS CB C 13 35.930 0.30 . 1 . . . A 4 CYS CB . 17726 1
24 . 1 1 5 5 LYS H H 1 7.536 0.02 . 1 . . . . 5 LYS H . 17726 1
25 . 1 1 5 5 LYS HA H 1 3.541 0.02 . 1 . . . A 5 LYS HA . 17726 1
26 . 1 1 5 5 LYS HB2 H 1 1.221 0.02 . 2 . . . A 5 LYS HB2 . 17726 1
27 . 1 1 5 5 LYS HB3 H 1 1.149 0.02 . 2 . . . . 5 LYS HB3 . 17726 1
28 . 1 1 5 5 LYS HG2 H 1 0.925 0.02 . 2 . . . A 5 LYS HG2 . 17726 1
29 . 1 1 5 5 LYS HG3 H 1 0.925 0.02 . 2 . . . . 5 LYS HG3 . 17726 1
30 . 1 1 5 5 LYS HE2 H 1 2.456 0.02 . 2 . . . A 5 LYS HE2 . 17726 1
31 . 1 1 5 5 LYS HE3 H 1 2.456 0.02 . 2 . . . . 5 LYS HE3 . 17726 1
32 . 1 1 5 5 LYS HZ1 H 1 7.092 0.02 . 1 . . . A 5 LYS HZ1 . 17726 1
33 . 1 1 5 5 LYS HZ2 H 1 7.092 0.02 . 1 . . . A 5 LYS HZ2 . 17726 1
34 . 1 1 5 5 LYS HZ3 H 1 7.092 0.02 . 1 . . . A 5 LYS HZ3 . 17726 1
35 . 1 1 5 5 LYS CA C 13 55.070 0.30 . 1 . . . A 5 LYS CA . 17726 1
36 . 1 1 5 5 LYS CB C 13 29.400 0.30 . 1 . . . A 5 LYS CB . 17726 1
37 . 1 1 5 5 LYS CG C 13 25.600 0.30 . 1 . . . A 5 LYS CG . 17726 1
38 . 1 1 5 5 LYS CE C 13 38.600 0.30 . 1 . . . A 5 LYS CE . 17726 1
39 . 1 1 6 6 ARG H H 1 6.812 0.02 . 1 . . . . 6 ARG H . 17726 1
40 . 1 1 6 6 ARG HA H 1 3.840 0.02 . 1 . . . A 6 ARG HA . 17726 1
41 . 1 1 6 6 ARG HB2 H 1 1.067 0.02 . 2 . . . A 6 ARG HB2 . 17726 1
42 . 1 1 6 6 ARG HB3 H 1 1.150 0.02 . 2 . . . . 6 ARG HB3 . 17726 1
43 . 1 1 6 6 ARG HG2 H 1 1.269 0.02 . 2 . . . A 6 ARG HG2 . 17726 1
44 . 1 1 6 6 ARG HG3 H 1 1.475 0.02 . 2 . . . . 6 ARG HG3 . 17726 1
45 . 1 1 6 6 ARG HD2 H 1 2.714 0.02 . 2 . . . A 6 ARG HD2 . 17726 1
46 . 1 1 6 6 ARG HD3 H 1 2.714 0.02 . 2 . . . . 6 ARG HD3 . 17726 1
47 . 1 1 6 6 ARG CA C 13 53.270 0.30 . 1 . . . A 6 ARG CA . 17726 1
48 . 1 1 6 6 ARG CB C 13 28.500 0.30 . 1 . . . A 6 ARG CB . 17726 1
49 . 1 1 6 6 ARG CG C 13 24.500 0.30 . 1 . . . A 6 ARG CG . 17726 1
50 . 1 1 6 6 ARG CD C 13 40.100 0.30 . 1 . . . A 6 ARG CD . 17726 1
51 . 1 1 7 7 ASN H H 1 7.496 0.02 . 1 . . . . 7 ASN H . 17726 1
52 . 1 1 7 7 ASN HA H 1 4.273 0.02 . 1 . . . A 7 ASN HA . 17726 1
53 . 1 1 7 7 ASN HB2 H 1 2.464 0.02 . 2 . . . A 7 ASN HB2 . 17726 1
54 . 1 1 7 7 ASN HB3 H 1 2.220 0.02 . 2 . . . . 7 ASN HB3 . 17726 1
55 . 1 1 7 7 ASN CA C 13 49.680 0.30 . 1 . . . A 7 ASN CA . 17726 1
56 . 1 1 7 7 ASN CB C 13 36.710 0.30 . 1 . . . A 7 ASN CB . 17726 1
57 . 1 1 8 8 PHE H H 1 8.342 0.02 . 1 . . . . 8 PHE H . 17726 1
58 . 1 1 8 8 PHE HA H 1 4.291 0.02 . 1 . . . A 8 PHE HA . 17726 1
59 . 1 1 8 8 PHE HB2 H 1 2.784 0.02 . 2 . . . A 8 PHE HB2 . 17726 1
60 . 1 1 8 8 PHE HB3 H 1 2.619 0.02 . 2 . . . . 8 PHE HB3 . 17726 1
61 . 1 1 8 8 PHE HD1 H 1 6.791 0.02 . 3 . . . A 8 PHE HD1 . 17726 1
62 . 1 1 8 8 PHE HD2 H 1 6.791 0.02 . 3 . . . A 8 PHE HD2 . 17726 1
63 . 1 1 8 8 PHE HE1 H 1 6.852 0.02 . 3 . . . A 8 PHE HE1 . 17726 1
64 . 1 1 8 8 PHE HE2 H 1 6.852 0.02 . 3 . . . A 8 PHE HE2 . 17726 1
65 . 1 1 8 8 PHE CA C 13 56.870 0.30 . 1 . . . A 8 PHE CA . 17726 1
66 . 1 1 8 8 PHE CB C 13 35.310 0.30 . 1 . . . A 8 PHE CB . 17726 1
67 . 1 1 8 8 PHE CD1 C 13 128.730 0.30 . 3 . . . A 8 PHE CD1 . 17726 1
68 . 1 1 8 8 PHE CD2 C 13 128.730 0.30 . 3 . . . A 8 PHE CD2 . 17726 1
69 . 1 1 8 8 PHE CE1 C 13 128.420 0.30 . 3 . . . A 8 PHE CE1 . 17726 1
70 . 1 1 8 8 PHE CE2 C 13 128.420 0.30 . 3 . . . A 8 PHE CE2 . 17726 1
71 . 1 1 9 9 LEU H H 1 7.416 0.02 . 1 . . . . 9 LEU H . 17726 1
72 . 1 1 9 9 LEU HA H 1 3.503 0.02 . 1 . . . A 9 LEU HA . 17726 1
73 . 1 1 9 9 LEU HB2 H 1 1.083 0.02 . 2 . . . A 9 LEU HB2 . 17726 1
74 . 1 1 9 9 LEU HB3 H 1 0.917 0.02 . 2 . . . . 9 LEU HB3 . 17726 1
75 . 1 1 9 9 LEU HG H 1 0.742 0.02 . 1 . . . A 9 LEU HG . 17726 1
76 . 1 1 9 9 LEU HD11 H 1 0.363 0.02 . 2 . . . A 9 LEU HD11 . 17726 1
77 . 1 1 9 9 LEU HD12 H 1 0.363 0.02 . 2 . . . A 9 LEU HD12 . 17726 1
78 . 1 1 9 9 LEU HD13 H 1 0.363 0.02 . 2 . . . A 9 LEU HD13 . 17726 1
79 . 1 1 9 9 LEU HD21 H 1 0.265 0.02 . 2 . . . A 9 LEU HD21 . 17726 1
80 . 1 1 9 9 LEU HD22 H 1 0.265 0.02 . 2 . . . A 9 LEU HD22 . 17726 1
81 . 1 1 9 9 LEU HD23 H 1 0.265 0.02 . 2 . . . A 9 LEU HD23 . 17726 1
82 . 1 1 9 9 LEU CA C 13 53.350 0.30 . 1 . . . A 9 LEU CA . 17726 1
83 . 1 1 9 9 LEU CB C 13 38.030 0.30 . 1 . . . A 9 LEU CB . 17726 1
84 . 1 1 9 9 LEU CG C 13 23.620 0.30 . 1 . . . A 9 LEU CG . 17726 1
85 . 1 1 9 9 LEU CD1 C 13 22.070 0.30 . 2 . . . A 9 LEU CD1 . 17726 1
86 . 1 1 9 9 LEU CD2 C 13 19.910 0.30 . 2 . . . A 9 LEU CD2 . 17726 1
87 . 1 1 10 10 CYS H H 1 7.738 0.02 . 1 . . . . 10 CYS H . 17726 1
88 . 1 1 10 10 CYS HA H 1 3.988 0.02 . 1 . . . A 10 CYS HA . 17726 1
89 . 1 1 10 10 CYS HB2 H 1 2.692 0.02 . 2 . . . A 10 CYS HB2 . 17726 1
90 . 1 1 10 10 CYS HB3 H 1 2.586 0.02 . 2 . . . . 10 CYS HB3 . 17726 1
91 . 1 1 10 10 CYS CA C 13 52.880 0.30 . 1 . . . A 10 CYS CA . 17726 1
92 . 1 1 10 10 CYS CB C 13 39.680 0.30 . 1 . . . A 10 CYS CB . 17726 1
93 . 1 1 11 11 CYS H H 1 7.163 0.02 . 1 . . . . 11 CYS H . 17726 1
94 . 1 1 11 11 CYS HA H 1 4.015 0.02 . 1 . . . A 11 CYS HA . 17726 1
95 . 1 1 11 11 CYS HB2 H 1 2.818 0.02 . 2 . . . A 11 CYS HB2 . 17726 1
96 . 1 1 11 11 CYS HB3 H 1 2.423 0.02 . 2 . . . . 11 CYS HB3 . 17726 1
97 . 1 1 11 11 CYS CA C 13 53.900 0.30 . 1 . . . A 11 CYS CA . 17726 1
98 . 1 1 11 11 CYS CB C 13 39.990 0.30 . 1 . . . A 11 CYS CB . 17726 1
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