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 30292
_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 DQF-COSY; 2D 1H-1H TOCSY; 2D 1H-1H NOESY' . . . 30292 1
2 '2D 1H-1H TOCSY' . . . 30292 1
3 '2D 1H-1H TOCSY' . . . 30292 1
4 '2D 1H-1H TOCSY' . . . 30292 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 SER H H 1 8.080 0.02 . 1 . . . . A 1 SER H1 0 30292 1
2 . 1 1 1 1 SER HA H 1 4.270 0.02 . 1 . . . . A 1 SER HA 0 30292 1
3 . 1 1 1 1 SER HB2 H 1 3.730 0.02 . 1 . . . . A 1 SER HB2 0 30292 1
4 . 1 1 1 1 SER HB3 H 1 3.660 0.02 . 1 . . . . A 1 SER HB3 0 30292 1
5 . 1 1 2 2 ASP H H 1 8.380 0.02 . 1 . . . . A 2 ASP H 0 30292 1
6 . 1 1 2 2 ASP HA H 1 4.660 0.02 . 1 . . . . A 2 ASP HA 0 30292 1
7 . 1 1 2 2 ASP HB2 H 1 2.750 0.02 . 1 . . . . A 2 ASP HB2 0 30292 1
8 . 1 1 2 2 ASP HB3 H 1 2.840 0.02 . 1 . . . . A 2 ASP HB3 0 30292 1
9 . 1 1 3 3 THR H H 1 7.930 0.02 . 1 . . . . A 3 THR H 0 30292 1
10 . 1 1 3 3 THR HA H 1 4.070 0.02 . 1 . . . . A 3 THR HA 0 30292 1
11 . 1 1 3 3 THR HB H 1 3.690 0.02 . 1 . . . . A 3 THR HB 0 30292 1
12 . 1 1 3 3 THR HG21 H 1 1.050 0.02 . 1 . . . . A 3 THR HG21 0 30292 1
13 . 1 1 3 3 THR HG22 H 1 1.050 0.02 . 1 . . . . A 3 THR HG22 0 30292 1
14 . 1 1 3 3 THR HG23 H 1 1.050 0.02 . 1 . . . . A 3 THR HG23 0 30292 1
15 . 1 1 4 4 ARG H H 1 8.150 0.02 . 1 . . . . A 4 ARG H 0 30292 1
16 . 1 1 4 4 ARG HA H 1 3.950 0.02 . 1 . . . . A 4 ARG HA 0 30292 1
17 . 1 1 4 4 ARG HB2 H 1 1.610 0.02 . 2 . . . . A 4 ARG HB2 0 30292 1
18 . 1 1 4 4 ARG HB3 H 1 1.610 0.02 . 2 . . . . A 4 ARG HB3 0 30292 1
19 . 1 1 4 4 ARG HG2 H 1 1.490 0.02 . 2 . . . . A 4 ARG HG2 0 30292 1
20 . 1 1 4 4 ARG HG3 H 1 1.490 0.02 . 2 . . . . A 4 ARG HG3 0 30292 1
21 . 1 1 4 4 ARG HD2 H 1 3.120 0.02 . 2 . . . . A 4 ARG HD2 0 30292 1
22 . 1 1 4 4 ARG HD3 H 1 3.120 0.02 . 2 . . . . A 4 ARG HD3 0 30292 1
23 . 1 1 4 4 ARG HH11 H 1 7.320 0.02 . 2 . . . . A 4 ARG HH11 0 30292 1
24 . 1 1 4 4 ARG HH12 H 1 7.320 0.02 . 2 . . . . A 4 ARG HH12 0 30292 1
25 . 1 1 5 5 TYR H H 1 7.620 0.02 . 1 . . . . A 5 TYR H 0 30292 1
26 . 1 1 5 5 TYR HA H 1 4.380 0.02 . 1 . . . . A 5 TYR HA 0 30292 1
27 . 1 1 5 5 TYR HB2 H 1 2.980 0.02 . 2 . . . . A 5 TYR HB2 0 30292 1
28 . 1 1 5 5 TYR HB3 H 1 2.800 0.02 . 2 . . . . A 5 TYR HB3 0 30292 1
29 . 1 1 5 5 TYR HD1 H 1 7.300 0.02 . 3 . . . . A 5 TYR HD1 0 30292 1
30 . 1 1 5 5 TYR HD2 H 1 7.300 0.02 . 3 . . . . A 5 TYR HD2 0 30292 1
31 . 1 1 5 5 TYR HE1 H 1 7.330 0.02 . 3 . . . . A 5 TYR HE1 0 30292 1
32 . 1 1 5 5 TYR HE2 H 1 7.330 0.02 . 3 . . . . A 5 TYR HE2 0 30292 1
33 . 1 1 6 6 ASN H H 1 7.790 0.02 . 1 . . . . A 6 ASN H 0 30292 1
34 . 1 1 6 6 ASN HA H 1 4.520 0.02 . 1 . . . . A 6 ASN HA 0 30292 1
35 . 1 1 6 6 ASN HB2 H 1 2.740 0.02 . 2 . . . . A 6 ASN HB2 0 30292 1
36 . 1 1 6 6 ASN HB3 H 1 2.740 0.02 . 2 . . . . A 6 ASN HB3 0 30292 1
37 . 1 1 6 6 ASN HD21 H 1 7.400 0.02 . 1 . . . . A 6 ASN HD21 0 30292 1
38 . 1 1 6 6 ASN HD22 H 1 6.980 0.02 . 1 . . . . A 6 ASN HD22 0 30292 1
39 . 1 1 7 7 LYS H H 1 8.150 0.02 . 1 . . . . A 7 LYS H 0 30292 1
40 . 1 1 7 7 LYS HA H 1 3.980 0.02 . 1 . . . . A 7 LYS HA 0 30292 1
41 . 1 1 7 7 LYS HB2 H 1 1.790 0.02 . 2 . . . . A 7 LYS HB2 0 30292 1
42 . 1 1 7 7 LYS HB3 H 1 1.790 0.02 . 2 . . . . A 7 LYS HB3 0 30292 1
43 . 1 1 7 7 LYS HG2 H 1 1.490 0.02 . 2 . . . . A 7 LYS HG2 0 30292 1
44 . 1 1 7 7 LYS HG3 H 1 1.490 0.02 . 2 . . . . A 7 LYS HG3 0 30292 1
45 . 1 1 7 7 LYS HD2 H 1 1.600 0.02 . 2 . . . . A 7 LYS HD2 0 30292 1
46 . 1 1 7 7 LYS HD3 H 1 1.600 0.02 . 2 . . . . A 7 LYS HD3 0 30292 1
47 . 1 1 7 7 LYS HE2 H 1 2.950 0.02 . 2 . . . . A 7 LYS HE2 0 30292 1
48 . 1 1 7 7 LYS HE3 H 1 2.950 0.02 . 2 . . . . A 7 LYS HE3 0 30292 1
49 . 1 1 8 8 ASP H H 1 8.030 0.02 . 1 . . . . A 8 ASP H 0 30292 1
50 . 1 1 8 8 ASP HA H 1 4.400 0.02 . 1 . . . . A 8 ASP HA 0 30292 1
51 . 1 1 8 8 ASP HB2 H 1 2.780 0.02 . 2 . . . . A 8 ASP HB2 0 30292 1
52 . 1 1 8 8 ASP HB3 H 1 2.780 0.02 . 2 . . . . A 8 ASP HB3 0 30292 1
53 . 1 1 9 9 PHE H H 1 7.920 0.02 . 1 . . . . A 9 PHE H 0 30292 1
54 . 1 1 9 9 PHE HA H 1 4.450 0.02 . 1 . . . . A 9 PHE HA 0 30292 1
55 . 1 1 9 9 PHE HB2 H 1 3.150 0.02 . 1 . . . . A 9 PHE HB2 0 30292 1
56 . 1 1 9 9 PHE HB3 H 1 3.000 0.02 . 1 . . . . A 9 PHE HB3 0 30292 1
57 . 1 1 9 9 PHE HD1 H 1 7.280 0.02 . 3 . . . . A 9 PHE HD1 0 30292 1
58 . 1 1 9 9 PHE HD2 H 1 7.280 0.02 . 3 . . . . A 9 PHE HD2 0 30292 1
59 . 1 1 9 9 PHE HE1 H 1 7.390 0.02 . 3 . . . . A 9 PHE HE1 0 30292 1
60 . 1 1 9 9 PHE HE2 H 1 7.390 0.02 . 3 . . . . A 9 PHE HE2 0 30292 1
61 . 1 1 10 10 ILE H H 1 7.820 0.02 . 1 . . . . A 10 ILE H 0 30292 1
62 . 1 1 10 10 ILE HA H 1 3.620 0.02 . 1 . . . . A 10 ILE HA 0 30292 1
63 . 1 1 10 10 ILE HB H 1 1.790 0.02 . 1 . . . . A 10 ILE HB 0 30292 1
64 . 1 1 10 10 ILE HG12 H 1 1.550 0.02 . 2 . . . . A 10 ILE HG12 0 30292 1
65 . 1 1 10 10 ILE HG13 H 1 1.550 0.02 . 2 . . . . A 10 ILE HG13 0 30292 1
66 . 1 1 10 10 ILE HG21 H 1 1.100 0.02 . 1 . . . . A 10 ILE HG21 0 30292 1
67 . 1 1 10 10 ILE HG22 H 1 1.100 0.02 . 1 . . . . A 10 ILE HG22 0 30292 1
68 . 1 1 10 10 ILE HG23 H 1 1.100 0.02 . 1 . . . . A 10 ILE HG23 0 30292 1
69 . 1 1 10 10 ILE HD11 H 1 0.800 0.02 . 1 . . . . A 10 ILE HD11 0 30292 1
70 . 1 1 10 10 ILE HD12 H 1 0.800 0.02 . 1 . . . . A 10 ILE HD12 0 30292 1
71 . 1 1 10 10 ILE HD13 H 1 0.800 0.02 . 1 . . . . A 10 ILE HD13 0 30292 1
72 . 1 1 11 11 ASN H H 1 8.150 0.02 . 1 . . . . A 11 ASN H 0 30292 1
73 . 1 1 11 11 ASN HA H 1 4.350 0.02 . 1 . . . . A 11 ASN HA 0 30292 1
74 . 1 1 11 11 ASN HB2 H 1 2.700 0.02 . . . . . . A 11 ASN HB2 0 30292 1
75 . 1 1 11 11 ASN HB3 H 1 2.700 0.02 . . . . . . A 11 ASN HB3 0 30292 1
76 . 1 1 11 11 ASN HD21 H 1 7.340 0.02 . . . . . . A 11 ASN HD21 0 30292 1
77 . 1 1 11 11 ASN HD22 H 1 7.340 0.02 . . . . . . A 11 ASN HD22 0 30292 1
78 . 1 1 12 12 ASN H H 1 7.880 0.02 . 1 . . . . A 12 ASN H 0 30292 1
79 . 1 1 12 12 ASN HA H 1 4.500 0.02 . 1 . . . . A 12 ASN HA 0 30292 1
80 . 1 1 12 12 ASN HB2 H 1 2.800 0.02 . 1 . . . . A 12 ASN HB2 0 30292 1
81 . 1 1 12 12 ASN HB3 H 1 2.700 0.02 . 1 . . . . A 12 ASN HB3 0 30292 1
82 . 1 1 12 12 ASN HD21 H 1 7.330 0.02 . 1 . . . . A 12 ASN HD21 0 30292 1
83 . 1 1 12 12 ASN HD22 H 1 6.850 0.02 . 1 . . . . A 12 ASN HD22 0 30292 1
84 . 1 1 13 13 LYS H H 1 8.150 0.02 . 1 . . . . A 13 LYS H 0 30292 1
85 . 1 1 13 13 LYS HA H 1 3.950 0.02 . 1 . . . . A 13 LYS HA 0 30292 1
86 . 1 1 13 13 LYS HB2 H 1 1.700 0.02 . 2 . . . . A 13 LYS HB2 0 30292 1
87 . 1 1 13 13 LYS HB3 H 1 1.700 0.02 . 2 . . . . A 13 LYS HB3 0 30292 1
88 . 1 1 13 13 LYS HG2 H 1 1.450 0.02 . 2 . . . . A 13 LYS HG2 0 30292 1
89 . 1 1 13 13 LYS HG3 H 1 1.450 0.02 . 2 . . . . A 13 LYS HG3 0 30292 1
90 . 1 1 13 13 LYS HD2 H 1 1.620 0.02 . 2 . . . . A 13 LYS HD2 0 30292 1
91 . 1 1 13 13 LYS HD3 H 1 1.620 0.02 . 2 . . . . A 13 LYS HD3 0 30292 1
92 . 1 1 13 13 LYS HE2 H 1 2.950 0.02 . 2 . . . . A 13 LYS HE2 0 30292 1
93 . 1 1 13 13 LYS HE3 H 1 2.950 0.02 . 2 . . . . A 13 LYS HE3 0 30292 1
94 . 1 1 14 14 LEU H H 1 8.110 0.02 . 1 . . . . A 14 LEU H 0 30292 1
95 . 1 1 14 14 LEU HA H 1 3.900 0.02 . 1 . . . . A 14 LEU HA 0 30292 1
96 . 1 1 14 14 LEU HB2 H 1 1.650 0.02 . 2 . . . . A 14 LEU HB2 0 30292 1
97 . 1 1 14 14 LEU HB3 H 1 1.650 0.02 . 2 . . . . A 14 LEU HB3 0 30292 1
98 . 1 1 14 14 LEU HG H 1 1.600 0.02 . 1 . . . . A 14 LEU HG 0 30292 1
99 . 1 1 14 14 LEU HD11 H 1 0.780 0.02 . 2 . . . . A 14 LEU HD11 0 30292 1
100 . 1 1 14 14 LEU HD12 H 1 0.780 0.02 . 2 . . . . A 14 LEU HD12 0 30292 1
101 . 1 1 14 14 LEU HD13 H 1 0.780 0.02 . 2 . . . . A 14 LEU HD13 0 30292 1
102 . 1 1 14 14 LEU HD21 H 1 0.780 0.02 . 2 . . . . A 14 LEU HD21 0 30292 1
103 . 1 1 14 14 LEU HD22 H 1 0.780 0.02 . 2 . . . . A 14 LEU HD22 0 30292 1
104 . 1 1 14 14 LEU HD23 H 1 0.780 0.02 . 2 . . . . A 14 LEU HD23 0 30292 1
105 . 1 1 15 15 LEU H H 1 8.250 0.02 . 1 . . . . A 15 LEU H 0 30292 1
106 . 1 1 15 15 LEU HA H 1 4.000 0.02 . 1 . . . . A 15 LEU HA 0 30292 1
107 . 1 1 15 15 LEU HB2 H 1 1.700 0.02 . 2 . . . . A 15 LEU HB2 0 30292 1
108 . 1 1 15 15 LEU HB3 H 1 1.700 0.02 . 2 . . . . A 15 LEU HB3 0 30292 1
109 . 1 1 15 15 LEU HG H 1 1.400 0.02 . 1 . . . . A 15 LEU HG 0 30292 1
110 . 1 1 15 15 LEU HD11 H 1 0.750 0.02 . 2 . . . . A 15 LEU HD11 0 30292 1
111 . 1 1 15 15 LEU HD12 H 1 0.750 0.02 . 2 . . . . A 15 LEU HD12 0 30292 1
112 . 1 1 15 15 LEU HD13 H 1 0.750 0.02 . 2 . . . . A 15 LEU HD13 0 30292 1
113 . 1 1 15 15 LEU HD21 H 1 0.750 0.02 . 2 . . . . A 15 LEU HD21 0 30292 1
114 . 1 1 15 15 LEU HD22 H 1 0.750 0.02 . 2 . . . . A 15 LEU HD22 0 30292 1
115 . 1 1 15 15 LEU HD23 H 1 0.750 0.02 . 2 . . . . A 15 LEU HD23 0 30292 1
116 . 1 1 16 16 ASN H H 1 7.890 0.02 . 1 . . . . A 16 ASN H 0 30292 1
117 . 1 1 16 16 ASN HA H 1 4.380 0.02 . 1 . . . . A 16 ASN HA 0 30292 1
118 . 1 1 16 16 ASN HB2 H 1 2.800 0.02 . 2 . . . . A 16 ASN HB2 0 30292 1
119 . 1 1 16 16 ASN HB3 H 1 2.800 0.02 . 2 . . . . A 16 ASN HB3 0 30292 1
120 . 1 1 16 16 ASN HD21 H 1 7.420 0.02 . 1 . . . . A 16 ASN HD21 0 30292 1
121 . 1 1 16 16 ASN HD22 H 1 7.330 0.02 . 1 . . . . A 16 ASN HD22 0 30292 1
122 . 1 1 17 17 GLU H H 1 8.170 0.02 . 1 . . . . A 17 GLU H 0 30292 1
123 . 1 1 17 17 GLU HA H 1 4.050 0.02 . 1 . . . . A 17 GLU HA 0 30292 1
124 . 1 1 17 17 GLU HB2 H 1 2.000 0.02 . 2 . . . . A 17 GLU HB2 0 30292 1
125 . 1 1 17 17 GLU HB3 H 1 2.000 0.02 . 2 . . . . A 17 GLU HB3 0 30292 1
126 . 1 1 17 17 GLU HG2 H 1 2.400 0.02 . 2 . . . . A 17 GLU HG2 0 30292 1
127 . 1 1 17 17 GLU HG3 H 1 2.400 0.02 . 2 . . . . A 17 GLU HG3 0 30292 1
128 . 1 1 18 18 HIS H H 1 8.150 0.02 . 1 . . . . A 18 HIS H 0 30292 1
129 . 1 1 18 18 HIS HA H 1 4.400 0.02 . 1 . . . . A 18 HIS HA 0 30292 1
130 . 1 1 18 18 HIS HB2 H 1 3.280 0.02 . 1 . . . . A 18 HIS HB2 0 30292 1
131 . 1 1 18 18 HIS HB3 H 1 3.150 0.02 . 1 . . . . A 18 HIS HB3 0 30292 1
132 . 1 1 18 18 HIS HD2 H 1 7.100 0.02 . 1 . . . . A 18 HIS HD2 0 30292 1
133 . 1 1 18 18 HIS HE1 H 1 8.000 0.02 . 1 . . . . A 18 HIS HE1 0 30292 1
134 . 1 1 19 19 ALA H H 1 8.850 0.02 . 1 . . . . A 19 ALA H 0 30292 1
135 . 1 1 19 19 ALA HA H 1 4.080 0.02 . 1 . . . . A 19 ALA HA 0 30292 1
136 . 1 1 19 19 ALA HB1 H 1 1.300 0.02 . 1 . . . . A 19 ALA HB1 0 30292 1
137 . 1 1 19 19 ALA HB2 H 1 1.300 0.02 . 1 . . . . A 19 ALA HB2 0 30292 1
138 . 1 1 19 19 ALA HB3 H 1 1.300 0.02 . 1 . . . . A 19 ALA HB3 0 30292 1
139 . 1 1 20 20 HIS H H 1 7.850 0.02 . 1 . . . . A 20 HIS H 0 30292 1
140 . 1 1 20 20 HIS HA H 1 4.490 0.02 . 1 . . . . A 20 HIS HA 0 30292 1
141 . 1 1 20 20 HIS HB2 H 1 3.070 0.02 . 1 . . . . A 20 HIS HB2 0 30292 1
142 . 1 1 20 20 HIS HB3 H 1 3.330 0.02 . 1 . . . . A 20 HIS HB3 0 30292 1
143 . 1 1 20 20 HIS HD2 H 1 7.000 0.02 . 1 . . . . A 20 HIS HD2 0 30292 1
144 . 1 1 20 20 HIS HE1 H 1 8.200 0.02 . 1 . . . . A 20 HIS HE1 0 30292 1
stop_
save_