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 36146
_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 0.01
_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' 1 $sample_1 isotropic 36146 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36146 1
3 '2D DQF-COSY' 1 $sample_1 isotropic 36146 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 3 3 CYS H H 1 8.1970 0.01 . 1 . . . . A 3 CYS H . 36146 1
2 . 1 1 3 3 CYS HA H 1 4.6340 0.01 . 1 . . . . A 3 CYS HA . 36146 1
3 . 1 1 3 3 CYS HB2 H 1 3.1760 0.01 . 2 . . . . A 3 CYS HB2 . 36146 1
4 . 1 1 3 3 CYS HB3 H 1 2.5930 0.01 . 2 . . . . A 3 CYS HB3 . 36146 1
5 . 1 1 4 4 ALA H H 1 7.5860 0.01 . 1 . . . . A 4 ALA H . 36146 1
6 . 1 1 4 4 ALA HA H 1 4.1500 0.01 . 1 . . . . A 4 ALA HA . 36146 1
7 . 1 1 4 4 ALA HB1 H 1 1.4200 0.01 . 1 . . . . A 4 ALA HB1 . 36146 1
8 . 1 1 4 4 ALA HB2 H 1 1.4200 0.01 . 1 . . . . A 4 ALA HB2 . 36146 1
9 . 1 1 4 4 ALA HB3 H 1 1.4200 0.01 . 1 . . . . A 4 ALA HB3 . 36146 1
10 . 1 1 5 5 SER H H 1 7.9020 0.01 . 1 . . . . A 5 SER H . 36146 1
11 . 1 1 5 5 SER HA H 1 4.4890 0.01 . 1 . . . . A 5 SER HA . 36146 1
12 . 1 1 5 5 SER HB2 H 1 4.1020 0.01 . 2 . . . . A 5 SER HB2 . 36146 1
13 . 1 1 5 5 SER HB3 H 1 3.9390 0.01 . 2 . . . . A 5 SER HB3 . 36146 1
14 . 1 1 6 6 LEU H H 1 8.4780 0.01 . 1 . . . . A 6 LEU H . 36146 1
15 . 1 1 6 6 LEU HA H 1 4.0560 0.01 . 1 . . . . A 6 LEU HA . 36146 1
16 . 1 1 6 6 LEU HB2 H 1 1.6810 0.01 . 2 . . . . A 6 LEU HB2 . 36146 1
17 . 1 1 6 6 LEU HB3 H 1 1.5870 0.01 . 2 . . . . A 6 LEU HB3 . 36146 1
18 . 1 1 6 6 LEU HG H 1 1.5900 0.01 . 1 . . . . A 6 LEU HG . 36146 1
19 . 1 1 6 6 LEU HD11 H 1 0.8630 0.01 . 2 . . . . A 6 LEU HD11 . 36146 1
20 . 1 1 6 6 LEU HD12 H 1 0.8630 0.01 . 2 . . . . A 6 LEU HD12 . 36146 1
21 . 1 1 6 6 LEU HD13 H 1 0.8630 0.01 . 2 . . . . A 6 LEU HD13 . 36146 1
22 . 1 1 6 6 LEU HD21 H 1 0.9150 0.01 . 2 . . . . A 6 LEU HD21 . 36146 1
23 . 1 1 6 6 LEU HD22 H 1 0.9150 0.01 . 2 . . . . A 6 LEU HD22 . 36146 1
24 . 1 1 6 6 LEU HD23 H 1 0.9150 0.01 . 2 . . . . A 6 LEU HD23 . 36146 1
25 . 1 1 7 7 ARG H H 1 8.3480 0.01 . 1 . . . . A 7 ARG H . 36146 1
26 . 1 1 7 7 ARG HA H 1 4.1500 0.01 . 1 . . . . A 7 ARG HA . 36146 1
27 . 1 1 7 7 ARG HB2 H 1 1.8200 0.01 . 2 . . . . A 7 ARG HB2 . 36146 1
28 . 1 1 7 7 ARG HB3 H 1 1.8200 0.01 . 2 . . . . A 7 ARG HB3 . 36146 1
29 . 1 1 7 7 ARG HG2 H 1 1.6430 0.01 . 2 . . . . A 7 ARG HG2 . 36146 1
30 . 1 1 7 7 ARG HG3 H 1 1.5640 0.01 . 2 . . . . A 7 ARG HG3 . 36146 1
31 . 1 1 7 7 ARG HD2 H 1 3.1780 0.01 . 2 . . . . A 7 ARG HD2 . 36146 1
32 . 1 1 7 7 ARG HD3 H 1 3.1780 0.01 . 2 . . . . A 7 ARG HD3 . 36146 1
33 . 1 1 7 7 ARG HE H 1 7.2860 0.01 . 1 . . . . A 7 ARG HE . 36146 1
34 . 1 1 8 8 ALA H H 1 8.0030 0.01 . 1 . . . . A 8 ALA H . 36146 1
35 . 1 1 8 8 ALA HA H 1 4.1050 0.01 . 1 . . . . A 8 ALA HA . 36146 1
36 . 1 1 8 8 ALA HB1 H 1 1.5300 0.01 . 1 . . . . A 8 ALA HB1 . 36146 1
37 . 1 1 8 8 ALA HB2 H 1 1.5300 0.01 . 1 . . . . A 8 ALA HB2 . 36146 1
38 . 1 1 8 8 ALA HB3 H 1 1.5300 0.01 . 1 . . . . A 8 ALA HB3 . 36146 1
39 . 1 1 9 9 ARG H H 1 7.9910 0.01 . 1 . . . . A 9 ARG H . 36146 1
40 . 1 1 9 9 ARG HA H 1 3.8940 0.01 . 1 . . . . A 9 ARG HA . 36146 1
41 . 1 1 9 9 ARG HB2 H 1 1.8250 0.01 . 2 . . . . A 9 ARG HB2 . 36146 1
42 . 1 1 9 9 ARG HB3 H 1 1.8240 0.01 . 2 . . . . A 9 ARG HB3 . 36146 1
43 . 1 1 9 9 ARG HG2 H 1 1.7180 0.01 . 2 . . . . A 9 ARG HG2 . 36146 1
44 . 1 1 9 9 ARG HG3 H 1 1.5840 0.01 . 2 . . . . A 9 ARG HG3 . 36146 1
45 . 1 1 9 9 ARG HD2 H 1 3.1160 0.01 . 2 . . . . A 9 ARG HD2 . 36146 1
46 . 1 1 9 9 ARG HD3 H 1 3.1160 0.01 . 2 . . . . A 9 ARG HD3 . 36146 1
47 . 1 1 9 9 ARG HE H 1 7.0830 0.01 . 1 . . . . A 9 ARG HE . 36146 1
48 . 1 1 10 10 HIS H H 1 7.9010 0.01 . 1 . . . . A 10 HIS H . 36146 1
49 . 1 1 10 10 HIS HA H 1 4.6950 0.01 . 1 . . . . A 10 HIS HA . 36146 1
50 . 1 1 10 10 HIS HB2 H 1 3.2880 0.01 . 2 . . . . A 10 HIS HB2 . 36146 1
51 . 1 1 10 10 HIS HB3 H 1 3.1780 0.01 . 2 . . . . A 10 HIS HB3 . 36146 1
52 . 1 1 11 11 THR H H 1 7.8260 0.01 . 1 . . . . A 11 THR H . 36146 1
53 . 1 1 11 11 THR HA H 1 4.4410 0.01 . 1 . . . . A 11 THR HA . 36146 1
54 . 1 1 11 11 THR HB H 1 4.1800 0.01 . 1 . . . . A 11 THR HB . 36146 1
55 . 1 1 11 11 THR HG21 H 1 1.1720 0.01 . 1 . . . . A 11 THR HG21 . 36146 1
56 . 1 1 11 11 THR HG22 H 1 1.1720 0.01 . 1 . . . . A 11 THR HG22 . 36146 1
57 . 1 1 11 11 THR HG23 H 1 1.1720 0.01 . 1 . . . . A 11 THR HG23 . 36146 1
58 . 1 1 12 12 ILE H H 1 8.2300 0.01 . 1 . . . . A 12 ILE H . 36146 1
59 . 1 1 12 12 ILE HA H 1 4.5950 0.01 . 1 . . . . A 12 ILE HA . 36146 1
60 . 1 1 12 12 ILE HB H 1 1.9440 0.01 . 1 . . . . A 12 ILE HB . 36146 1
61 . 1 1 12 12 ILE HG12 H 1 1.6120 0.01 . 2 . . . . A 12 ILE HG12 . 36146 1
62 . 1 1 12 12 ILE HG13 H 1 1.1760 0.01 . 2 . . . . A 12 ILE HG13 . 36146 1
63 . 1 1 12 12 ILE HG21 H 1 0.9420 0.01 . 1 . . . . A 12 ILE HG21 . 36146 1
64 . 1 1 12 12 ILE HG22 H 1 0.9420 0.01 . 1 . . . . A 12 ILE HG22 . 36146 1
65 . 1 1 12 12 ILE HG23 H 1 0.9420 0.01 . 1 . . . . A 12 ILE HG23 . 36146 1
66 . 1 1 12 12 ILE HD11 H 1 0.8520 0.01 . 1 . . . . A 12 ILE HD11 . 36146 1
67 . 1 1 12 12 ILE HD12 H 1 0.8520 0.01 . 1 . . . . A 12 ILE HD12 . 36146 1
68 . 1 1 12 12 ILE HD13 H 1 0.8520 0.01 . 1 . . . . A 12 ILE HD13 . 36146 1
69 . 1 1 13 13 PRO HA H 1 4.1200 0.01 . 1 . . . . A 13 PRO HA . 36146 1
70 . 1 1 13 13 PRO HB2 H 1 2.3690 0.01 . 2 . . . . A 13 PRO HB2 . 36146 1
71 . 1 1 13 13 PRO HB3 H 1 2.0000 0.01 . 2 . . . . A 13 PRO HB3 . 36146 1
72 . 1 1 13 13 PRO HG2 H 1 2.1800 0.01 . 2 . . . . A 13 PRO HG2 . 36146 1
73 . 1 1 13 13 PRO HG3 H 1 2.0000 0.01 . 2 . . . . A 13 PRO HG3 . 36146 1
74 . 1 1 13 13 PRO HD2 H 1 3.8700 0.01 . 2 . . . . A 13 PRO HD2 . 36146 1
75 . 1 1 13 13 PRO HD3 H 1 3.8700 0.01 . 2 . . . . A 13 PRO HD3 . 36146 1
76 . 1 1 14 14 GLN H H 1 8.7350 0.01 . 1 . . . . A 14 GLN H . 36146 1
77 . 1 1 14 14 GLN HA H 1 4.2140 0.01 . 1 . . . . A 14 GLN HA . 36146 1
78 . 1 1 14 14 GLN HB2 H 1 2.0730 0.01 . 2 . . . . A 14 GLN HB2 . 36146 1
79 . 1 1 14 14 GLN HB3 H 1 2.0730 0.01 . 2 . . . . A 14 GLN HB3 . 36146 1
80 . 1 1 14 14 GLN HG2 H 1 2.4250 0.01 . 2 . . . . A 14 GLN HG2 . 36146 1
81 . 1 1 14 14 GLN HG3 H 1 2.3740 0.01 . 2 . . . . A 14 GLN HG3 . 36146 1
82 . 1 1 14 14 GLN HE21 H 1 6.8950 0.01 . 2 . . . . A 14 GLN HE21 . 36146 1
83 . 1 1 14 14 GLN HE22 H 1 7.5540 0.01 . 2 . . . . A 14 GLN HE22 . 36146 1
84 . 1 1 15 15 CYS H H 1 8.0740 0.01 . 1 . . . . A 15 CYS H . 36146 1
85 . 1 1 15 15 CYS HA H 1 4.8850 0.01 . 1 . . . . A 15 CYS HA . 36146 1
86 . 1 1 15 15 CYS HB2 H 1 3.1640 0.01 . 2 . . . . A 15 CYS HB2 . 36146 1
87 . 1 1 15 15 CYS HB3 H 1 3.0240 0.01 . 2 . . . . A 15 CYS HB3 . 36146 1
88 . 1 1 16 16 ARG H H 1 7.7250 0.01 . 1 . . . . A 16 ARG H . 36146 1
89 . 1 1 16 16 ARG HA H 1 4.2800 0.01 . 1 . . . . A 16 ARG HA . 36146 1
90 . 1 1 16 16 ARG HB2 H 1 1.8500 0.01 . 2 . . . . A 16 ARG HB2 . 36146 1
91 . 1 1 16 16 ARG HB3 H 1 1.8100 0.01 . 2 . . . . A 16 ARG HB3 . 36146 1
92 . 1 1 16 16 ARG HG2 H 1 1.6570 0.01 . 2 . . . . A 16 ARG HG2 . 36146 1
93 . 1 1 16 16 ARG HG3 H 1 1.6380 0.01 . 2 . . . . A 16 ARG HG3 . 36146 1
94 . 1 1 16 16 ARG HD2 H 1 3.1400 0.01 . 2 . . . . A 16 ARG HD2 . 36146 1
95 . 1 1 16 16 ARG HD3 H 1 3.1400 0.01 . 2 . . . . A 16 ARG HD3 . 36146 1
96 . 1 1 16 16 ARG HE H 1 7.1630 0.01 . 1 . . . . A 16 ARG HE . 36146 1
97 . 1 1 17 17 LYS H H 1 8.0980 0.01 . 1 . . . . A 17 LYS H . 36146 1
98 . 1 1 17 17 LYS HA H 1 4.2230 0.01 . 1 . . . . A 17 LYS HA . 36146 1
99 . 1 1 17 17 LYS HB2 H 1 1.6930 0.01 . 2 . . . . A 17 LYS HB2 . 36146 1
100 . 1 1 17 17 LYS HB3 H 1 1.7000 0.01 . 2 . . . . A 17 LYS HB3 . 36146 1
101 . 1 1 17 17 LYS HG2 H 1 1.2000 0.01 . 2 . . . . A 17 LYS HG2 . 36146 1
102 . 1 1 17 17 LYS HG3 H 1 1.2020 0.01 . 2 . . . . A 17 LYS HG3 . 36146 1
103 . 1 1 17 17 LYS HD2 H 1 1.5830 0.01 . 2 . . . . A 17 LYS HD2 . 36146 1
104 . 1 1 17 17 LYS HD3 H 1 1.5830 0.01 . 2 . . . . A 17 LYS HD3 . 36146 1
105 . 1 1 17 17 LYS HE2 H 1 2.9000 0.01 . 2 . . . . A 17 LYS HE2 . 36146 1
106 . 1 1 17 17 LYS HE3 H 1 2.9000 0.01 . 2 . . . . A 17 LYS HE3 . 36146 1
107 . 1 1 17 17 LYS HZ1 H 1 7.2540 0.01 . 1 . . . . A 17 LYS HZ1 . 36146 1
108 . 1 1 17 17 LYS HZ2 H 1 7.2540 0.01 . 1 . . . . A 17 LYS HZ2 . 36146 1
109 . 1 1 17 17 LYS HZ3 H 1 7.2540 0.01 . 1 . . . . A 17 LYS HZ3 . 36146 1
110 . 1 1 18 18 PHE H H 1 7.9660 0.01 . 1 . . . . A 18 PHE H . 36146 1
111 . 1 1 18 18 PHE HA H 1 4.5530 0.01 . 1 . . . . A 18 PHE HA . 36146 1
112 . 1 1 18 18 PHE HB2 H 1 3.1620 0.01 . 2 . . . . A 18 PHE HB2 . 36146 1
113 . 1 1 18 18 PHE HB3 H 1 3.0340 0.01 . 2 . . . . A 18 PHE HB3 . 36146 1
114 . 1 1 18 18 PHE HD1 H 1 7.2550 0.01 . 3 . . . . A 18 PHE HD1 . 36146 1
115 . 1 1 18 18 PHE HD2 H 1 7.2550 0.01 . 3 . . . . A 18 PHE HD2 . 36146 1
116 . 1 1 18 18 PHE HE1 H 1 7.2550 0.01 . 3 . . . . A 18 PHE HE1 . 36146 1
117 . 1 1 18 18 PHE HE2 H 1 7.2550 0.01 . 3 . . . . A 18 PHE HE2 . 36146 1
118 . 1 1 18 18 PHE HZ H 1 7.3420 0.01 . 1 . . . . A 18 PHE HZ . 36146 1
119 . 1 1 19 19 GLY H H 1 8.2510 0.01 . 1 . . . . A 19 GLY H . 36146 1
120 . 1 1 19 19 GLY HA2 H 1 3.8830 0.01 . 2 . . . . A 19 GLY HA2 . 36146 1
121 . 1 1 19 19 GLY HA3 H 1 3.8830 0.01 . 2 . . . . A 19 GLY HA3 . 36146 1
122 . 1 1 20 20 ARG H H 1 8.1630 0.01 . 1 . . . . A 20 ARG H . 36146 1
123 . 1 1 20 20 ARG HA H 1 4.3060 0.01 . 1 . . . . A 20 ARG HA . 36146 1
124 . 1 1 20 20 ARG HB2 H 1 1.8510 0.01 . 2 . . . . A 20 ARG HB2 . 36146 1
125 . 1 1 20 20 ARG HB3 H 1 1.7670 0.01 . 2 . . . . A 20 ARG HB3 . 36146 1
126 . 1 1 20 20 ARG HG2 H 1 1.6180 0.01 . 2 . . . . A 20 ARG HG2 . 36146 1
127 . 1 1 20 20 ARG HG3 H 1 1.6180 0.01 . 2 . . . . A 20 ARG HG3 . 36146 1
128 . 1 1 20 20 ARG HD2 H 1 3.1740 0.01 . 2 . . . . A 20 ARG HD2 . 36146 1
129 . 1 1 20 20 ARG HD3 H 1 3.1740 0.01 . 2 . . . . A 20 ARG HD3 . 36146 1
130 . 1 1 21 21 ARG H H 1 8.3920 0.01 . 1 . . . . A 21 ARG H . 36146 1
131 . 1 1 21 21 ARG HA H 1 4.2780 0.01 . 1 . . . . A 21 ARG HA . 36146 1
132 . 1 1 21 21 ARG HB2 H 1 1.8540 0.01 . 2 . . . . A 21 ARG HB2 . 36146 1
133 . 1 1 21 21 ARG HB3 H 1 1.7720 0.01 . 2 . . . . A 21 ARG HB3 . 36146 1
134 . 1 1 21 21 ARG HG2 H 1 1.6600 0.01 . 2 . . . . A 21 ARG HG2 . 36146 1
135 . 1 1 21 21 ARG HG3 H 1 1.6120 0.01 . 2 . . . . A 21 ARG HG3 . 36146 1
136 . 1 1 21 21 ARG HD2 H 1 3.1700 0.01 . 2 . . . . A 21 ARG HD2 . 36146 1
137 . 1 1 21 21 ARG HD3 H 1 3.1700 0.01 . 2 . . . . A 21 ARG HD3 . 36146 1
138 . 1 1 21 21 ARG HE H 1 7.2540 0.01 . 1 . . . . A 21 ARG HE . 36146 1
stop_
save_