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 19384
_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
1 '2D DQF-COSY' 1 $sample_1 . 19384 1
2 '2D 1H-1H TOCSY' 1 $sample_1 . 19384 1
3 '2D 1H-13C HSQC' 1 $sample_1 . 19384 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.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 2 2 ARG H H 1 8.350 0.025 . 1 . . . . 2 ARG H . 19384 1
2 . 1 1 2 2 ARG HA H 1 4.250 0.025 . 1 . . . . 2 ARG HA . 19384 1
3 . 1 1 2 2 ARG HB2 H 1 1.720 0.025 . 2 . . . . 2 ARG HB2 . 19384 1
4 . 1 1 2 2 ARG HB3 H 1 1.920 0.025 . 2 . . . . 2 ARG HB3 . 19384 1
5 . 1 1 2 2 ARG HG2 H 1 1.550 0.025 . 2 . . . . 2 ARG HG2 . 19384 1
6 . 1 1 2 2 ARG HG3 H 1 1.550 0.025 . 2 . . . . 2 ARG HG3 . 19384 1
7 . 1 1 2 2 ARG HD2 H 1 3.120 0.025 . 2 . . . . 2 ARG HD2 . 19384 1
8 . 1 1 2 2 ARG HD3 H 1 3.120 0.025 . 2 . . . . 2 ARG HD3 . 19384 1
9 . 1 1 2 2 ARG HE H 1 7.120 0.025 . 1 . . . . 2 ARG HE . 19384 1
10 . 1 1 3 3 LEU H H 1 8.280 0.025 . 1 . . . . 3 LEU H . 19384 1
11 . 1 1 3 3 LEU HA H 1 4.378 0.025 . 1 . . . . 3 LEU HA . 19384 1
12 . 1 1 3 3 LEU HB2 H 1 1.510 0.025 . 2 . . . . 3 LEU HB2 . 19384 1
13 . 1 1 3 3 LEU HB3 H 1 1.577 0.025 . 2 . . . . 3 LEU HB3 . 19384 1
14 . 1 1 3 3 LEU HD11 H 1 0.780 0.025 . 2 . . . . 3 LEU HD11 . 19384 1
15 . 1 1 3 3 LEU HD12 H 1 0.780 0.025 . 2 . . . . 3 LEU HD12 . 19384 1
16 . 1 1 3 3 LEU HD13 H 1 0.780 0.025 . 2 . . . . 3 LEU HD13 . 19384 1
17 . 1 1 3 3 LEU HD21 H 1 0.830 0.025 . 2 . . . . 3 LEU HD21 . 19384 1
18 . 1 1 3 3 LEU HD22 H 1 0.830 0.025 . 2 . . . . 3 LEU HD22 . 19384 1
19 . 1 1 3 3 LEU HD23 H 1 0.830 0.025 . 2 . . . . 3 LEU HD23 . 19384 1
20 . 1 1 4 4 CYS H H 1 8.470 0.025 . 1 . . . . 4 CYS H . 19384 1
21 . 1 1 4 4 CYS HA H 1 4.220 0.025 . 1 . . . . 4 CYS HA . 19384 1
22 . 1 1 4 4 CYS HB2 H 1 2.170 0.025 . 2 . . . . 4 CYS HB2 . 19384 1
23 . 1 1 4 4 CYS HB3 H 1 2.250 0.025 . 2 . . . . 4 CYS HB3 . 19384 1
24 . 1 1 5 5 CYS H H 1 8.190 0.025 . 1 . . . . 5 CYS H . 19384 1
25 . 1 1 5 5 CYS HA H 1 4.200 0.025 . 1 . . . . 5 CYS HA . 19384 1
26 . 1 1 5 5 CYS HB2 H 1 2.390 0.025 . 2 . . . . 5 CYS HB2 . 19384 1
27 . 1 1 5 5 CYS HB3 H 1 3.350 0.025 . 2 . . . . 5 CYS HB3 . 19384 1
28 . 1 1 6 6 GLY H H 1 8.510 0.025 . 1 . . . . 6 GLY H . 19384 1
29 . 1 1 6 6 GLY HA3 H 1 3.670 0.025 . 2 . . . . 6 GLY HA3 . 19384 1
30 . 1 1 6 6 GLY HA2 H 1 3.740 0.025 . 2 . . . . 6 GLY HA2 . 19384 1
31 . 1 1 7 7 PHE H H 1 7.146 0.025 . 1 . . . . 7 PHE H . 19384 1
32 . 1 1 7 7 PHE HA H 1 5.037 0.025 . 1 . . . . 7 PHE HA . 19384 1
33 . 1 1 7 7 PHE HB2 H 1 2.990 0.025 . 2 . . . . 7 PHE HB2 . 19384 1
34 . 1 1 7 7 PHE HB3 H 1 3.110 0.025 . 2 . . . . 7 PHE HB3 . 19384 1
35 . 1 1 7 7 PHE HE1 H 1 7.220 0.025 . 1 . . . . 7 PHE HE1 . 19384 1
36 . 1 1 7 7 PHE HZ H 1 7.120 0.025 . 1 . . . . 7 PHE HZ . 19384 1
37 . 1 1 7 7 PHE HE2 H 1 7.220 0.025 . 1 . . . . 7 PHE HE2 . 19384 1
38 . 1 1 8 8 HYP HA H 1 4.410 0.025 . 1 . . . . 8 HYP HA . 19384 1
39 . 1 1 8 8 HYP HB2 H 1 2.040 0.025 . 2 . . . . 8 HYP HB2 . 19384 1
40 . 1 1 8 8 HYP HB3 H 1 2.310 0.025 . 2 . . . . 8 HYP HB3 . 19384 1
41 . 1 1 8 8 HYP HG H 1 4.620 0.025 . 1 . . . . 8 HYP HG2 . 19384 1
42 . 1 1 8 8 HYP HD22 H 1 3.880 0.025 . 2 . . . . 8 HYP HD2 . 19384 1
43 . 1 1 8 8 HYP HD23 H 1 3.880 0.025 . 2 . . . . 8 HYP HD3 . 19384 1
44 . 1 1 9 9 LYS H H 1 8.770 0.025 . 1 . . . . 9 LYS H . 19384 1
45 . 1 1 9 9 LYS HA H 1 4.020 0.025 . 1 . . . . 9 LYS HA . 19384 1
46 . 1 1 9 9 LYS HB2 H 1 1.870 0.025 . 2 . . . . 9 LYS HB2 . 19384 1
47 . 1 1 9 9 LYS HB3 H 1 1.950 0.025 . 2 . . . . 9 LYS HB3 . 19384 1
48 . 1 1 9 9 LYS HG2 H 1 1.310 0.025 . 2 . . . . 9 LYS HG2 . 19384 1
49 . 1 1 9 9 LYS HG3 H 1 1.310 0.025 . 2 . . . . 9 LYS HG3 . 19384 1
50 . 1 1 9 9 LYS HD2 H 1 1.570 0.025 . 2 . . . . 9 LYS HD2 . 19384 1
51 . 1 1 9 9 LYS HD3 H 1 1.570 0.025 . 2 . . . . 9 LYS HD3 . 19384 1
52 . 1 1 9 9 LYS HE2 H 1 3.370 0.025 . 2 . . . . 9 LYS HE2 . 19384 1
53 . 1 1 9 9 LYS HE3 H 1 3.500 0.025 . 2 . . . . 9 LYS HE3 . 19384 1
54 . 1 1 9 9 LYS HZ1 H 1 7.140 0.025 . 1 . . . . 9 LYS HZ1 . 19384 1
55 . 1 1 9 9 LYS HZ3 H 1 7.140 0.025 . 1 . . . . 9 LYS HZ2 . 19384 1
56 . 1 1 9 9 LYS HZ2 H 1 7.140 0.025 . 1 . . . . 9 LYS HZ2 . 19384 1
57 . 1 1 10 10 SER H H 1 7.670 0.025 . 1 . . . . 10 SER H . 19384 1
58 . 1 1 10 10 SER HA H 1 3.770 0.025 . 1 . . . . 10 SER HA . 19384 1
59 . 1 1 10 10 SER HB2 H 1 3.250 0.025 . 2 . . . . 10 SER HB2 . 19384 1
60 . 1 1 10 10 SER HB3 H 1 3.710 0.025 . 2 . . . . 10 SER HB3 . 19384 1
61 . 1 1 11 11 CYS H H 1 8.010 0.025 . 1 . . . . 11 CYS H . 19384 1
62 . 1 1 11 11 CYS HA H 1 4.240 0.025 . 1 . . . . 11 CYS HA . 19384 1
63 . 1 1 11 11 CYS HB2 H 1 2.850 0.025 . 2 . . . . 11 CYS HB2 . 19384 1
64 . 1 1 11 11 CYS HB3 H 1 3.090 0.025 . 2 . . . . 11 CYS HB3 . 19384 1
65 . 1 1 12 12 ARG H H 1 7.540 0.025 . 1 . . . . 12 ARG H . 19384 1
66 . 1 1 12 12 ARG HA H 1 4.120 0.025 . 1 . . . . 12 ARG HA . 19384 1
67 . 1 1 12 12 ARG HB2 H 1 1.790 0.025 . 2 . . . . 12 ARG HB2 . 19384 1
68 . 1 1 12 12 ARG HB3 H 1 1.930 0.025 . 2 . . . . 12 ARG HB3 . 19384 1
69 . 1 1 12 12 ARG HG2 H 1 1.610 0.025 . 2 . . . . 12 ARG HG2 . 19384 1
70 . 1 1 12 12 ARG HG3 H 1 1.680 0.025 . 2 . . . . 12 ARG HG3 . 19384 1
71 . 1 1 12 12 ARG HD2 H 1 3.140 0.025 . 2 . . . . 12 ARG HD2 . 19384 1
72 . 1 1 12 12 ARG HD3 H 1 3.140 0.025 . 2 . . . . 12 ARG HD3 . 19384 1
73 . 1 1 12 12 ARG HE H 1 7.198 0.025 . 1 . . . . 12 ARG HE . 19384 1
74 . 1 1 13 13 SER H H 1 7.540 0.025 . 1 . . . . 13 SER H . 19384 1
75 . 1 1 13 13 SER HA H 1 4.540 0.025 . 1 . . . . 13 SER HA . 19384 1
76 . 1 1 13 13 SER HB2 H 1 3.980 0.025 . 2 . . . . 13 SER HB2 . 19384 1
77 . 1 1 13 13 SER HB3 H 1 4.100 0.025 . 2 . . . . 13 SER HB3 . 19384 1
78 . 1 1 14 14 ARG H H 1 9.120 0.025 . 1 . . . . 14 ARG H . 19384 1
79 . 1 1 14 14 ARG HA H 1 3.910 0.025 . 1 . . . . 14 ARG HA . 19384 1
80 . 1 1 14 14 ARG HB2 H 1 1.820 0.025 . 2 . . . . 14 ARG HB2 . 19384 1
81 . 1 1 14 14 ARG HB3 H 1 1.900 0.025 . 2 . . . . 14 ARG HB3 . 19384 1
82 . 1 1 14 14 ARG HG2 H 1 1.660 0.025 . 2 . . . . 14 ARG HG2 . 19384 1
83 . 1 1 14 14 ARG HG3 H 1 1.690 0.025 . 2 . . . . 14 ARG HG3 . 19384 1
84 . 1 1 14 14 ARG HD2 H 1 3.190 0.025 . 2 . . . . 14 ARG HD2 . 19384 1
85 . 1 1 14 14 ARG HD3 H 1 3.190 0.025 . 2 . . . . 14 ARG HD3 . 19384 1
86 . 1 1 14 14 ARG HE H 1 7.190 0.025 . 1 . . . . 14 ARG HE . 19384 1
87 . 1 1 14 14 ARG HH11 H 1 7.050 0.025 . 1 . . . . 14 ARG NH1 . 19384 1
88 . 1 1 14 14 ARG HH12 H 1 7.050 0.025 . 1 . . . . 14 ARG NH1 . 19384 1
89 . 1 1 14 14 ARG HH21 H 1 7.630 0.025 . 1 . . . . 14 ARG NH2 . 19384 1
90 . 1 1 14 14 ARG HH22 H 1 7.630 0.025 . 1 . . . . 14 ARG NH2 . 19384 1
91 . 1 1 15 15 GLN H H 1 8.540 0.025 . 1 . . . . 15 GLN H . 19384 1
92 . 1 1 15 15 GLN HA H 1 4.130 0.025 . 1 . . . . 15 GLN HA . 19384 1
93 . 1 1 15 15 GLN HB2 H 1 2.010 0.025 . 2 . . . . 15 GLN HB2 . 19384 1
94 . 1 1 15 15 GLN HB3 H 1 2.010 0.025 . 2 . . . . 15 GLN HB3 . 19384 1
95 . 1 1 15 15 GLN HG2 H 1 2.380 0.025 . 2 . . . . 15 GLN HG2 . 19384 1
96 . 1 1 15 15 GLN HG3 H 1 2.380 0.025 . 2 . . . . 15 GLN HG3 . 19384 1
97 . 1 1 16 16 CYS H H 1 7.470 0.025 . 1 . . . . 16 CYS H . 19384 1
98 . 1 1 16 16 CYS HA H 1 4.780 0.025 . 1 . . . . 16 CYS HA . 19384 1
99 . 1 1 16 16 CYS HB2 H 1 2.950 0.025 . 2 . . . . 16 CYS HB2 . 19384 1
100 . 1 1 16 16 CYS HB3 H 1 3.050 0.025 . 2 . . . . 16 CYS HB3 . 19384 1
101 . 1 1 17 17 LYS H H 1 8.320 0.025 . 1 . . . . 17 LYS H . 19384 1
102 . 1 1 17 17 LYS HA H 1 4.200 0.025 . 1 . . . . 17 LYS HA . 19384 1
103 . 1 1 17 17 LYS HB2 H 1 1.930 0.025 . 2 . . . . 17 LYS HB2 . 19384 1
104 . 1 1 17 17 LYS HB3 H 1 1.930 0.025 . 2 . . . . 17 LYS HB3 . 19384 1
105 . 1 1 17 17 LYS HG2 H 1 1.380 0.025 . 2 . . . . 17 LYS HG2 . 19384 1
106 . 1 1 17 17 LYS HG3 H 1 1.440 0.025 . 2 . . . . 17 LYS HG3 . 19384 1
107 . 1 1 17 17 LYS HD2 H 1 1.550 0.025 . 2 . . . . 17 LYS HD2 . 19384 1
108 . 1 1 17 17 LYS HD3 H 1 1.650 0.025 . 2 . . . . 17 LYS HD3 . 19384 1
109 . 1 1 17 17 LYS HE2 H 1 2.910 0.025 . 2 . . . . 17 LYS HE2 . 19384 1
110 . 1 1 17 17 LYS HE3 H 1 2.910 0.025 . 2 . . . . 17 LYS HE3 . 19384 1
111 . 1 1 17 17 LYS HZ1 H 1 6.970 0.025 . 1 . . . . 17 LYS HZ1 . 19384 1
112 . 1 1 17 17 LYS HZ3 H 1 6.970 0.025 . 1 . . . . 17 LYS HZ2 . 19384 1
113 . 1 1 17 17 LYS HZ2 H 1 6.970 0.025 . 1 . . . . 17 LYS HZ2 . 19384 1
114 . 1 1 19 19 HIS H H 1 8.380 0.025 . 1 . . . . 19 HIS H . 19384 1
115 . 1 1 19 19 HIS HA H 1 4.320 0.025 . 1 . . . . 19 HIS HA . 19384 1
116 . 1 1 19 19 HIS HB2 H 1 3.290 0.025 . 2 . . . . 19 HIS HB2 . 19384 1
117 . 1 1 19 19 HIS HB3 H 1 3.360 0.025 . 2 . . . . 19 HIS HB3 . 19384 1
118 . 1 1 19 19 HIS HE1 H 1 7.270 0.025 . 1 . . . . 19 HIS HE1 . 19384 1
119 . 1 1 20 20 ARG H H 1 8.990 0.025 . 1 . . . . 20 ARG H . 19384 1
120 . 1 1 20 20 ARG HA H 1 4.040 0.025 . 1 . . . . 20 ARG HA . 19384 1
121 . 1 1 20 20 ARG HB2 H 1 1.810 0.025 . 2 . . . . 20 ARG HB2 . 19384 1
122 . 1 1 20 20 ARG HB3 H 1 1.850 0.025 . 2 . . . . 20 ARG HB3 . 19384 1
123 . 1 1 20 20 ARG HG2 H 1 1.620 0.025 . 2 . . . . 20 ARG HG2 . 19384 1
124 . 1 1 20 20 ARG HG3 H 1 1.680 0.025 . 2 . . . . 20 ARG HG3 . 19384 1
125 . 1 1 20 20 ARG HD2 H 1 3.160 0.025 . 2 . . . . 20 ARG HD2 . 19384 1
126 . 1 1 20 20 ARG HD3 H 1 3.160 0.025 . 2 . . . . 20 ARG HD3 . 19384 1
127 . 1 1 20 20 ARG HE H 1 7.140 0.025 . 1 . . . . 20 ARG HE . 19384 1
128 . 1 1 21 21 CYS H H 1 8.520 0.025 . 1 . . . . 21 CYS H . 19384 1
129 . 1 1 21 21 CYS HA H 1 4.520 0.025 . 1 . . . . 21 CYS HA . 19384 1
130 . 1 1 21 21 CYS HB2 H 1 3.070 0.025 . 2 . . . . 21 CYS HB2 . 19384 1
131 . 1 1 21 21 CYS HB3 H 1 3.370 0.025 . 2 . . . . 21 CYS HB3 . 19384 1
132 . 1 1 22 22 CYS H H 1 7.910 0.025 . 1 . . . . 22 CYS H . 19384 1
133 . 1 1 22 22 CYS HA H 1 4.880 0.025 . 1 . . . . 22 CYS HA . 19384 1
134 . 1 1 22 22 CYS HB2 H 1 3.190 0.025 . 2 . . . . 22 CYS HB2 . 19384 1
135 . 1 1 22 22 CYS HB3 H 1 3.290 0.025 . 2 . . . . 22 CYS HB3 . 19384 1
stop_
save_