Content for NMR-STAR saveframe, "chemical_shift_tfe"
save_chemical_shift_tfe
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_tfe
_Assigned_chem_shift_list.Entry_ID 5283
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $condition_tfe_meohcf
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_tfe . 5283 2
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 PHE H H 1 7.840 0.02 . 1 . . . . . . . . 5283 2
2 . 1 1 2 2 PHE HA H 1 4.540 0.02 . 1 . . . . . . . . 5283 2
3 . 1 1 2 2 PHE HB2 H 1 3.030 0.02 . 1 . . . . . . . . 5283 2
4 . 1 1 2 2 PHE HB3 H 1 3.030 0.02 . 1 . . . . . . . . 5283 2
5 . 1 1 2 2 PHE HD1 H 1 7.170 0.02 . 1 . . . . . . . . 5283 2
6 . 1 1 2 2 PHE HD2 H 1 7.170 0.02 . 1 . . . . . . . . 5283 2
7 . 1 1 3 3 PRO HA H 1 3.750 0.02 . 1 . . . . . . . . 5283 2
8 . 1 1 3 3 PRO HB2 H 1 2.370 0.02 . 2 . . . . . . . . 5283 2
9 . 1 1 3 3 PRO HB3 H 1 2.070 0.02 . 2 . . . . . . . . 5283 2
10 . 1 1 3 3 PRO HG2 H 1 1.920 0.02 . 2 . . . . . . . . 5283 2
11 . 1 1 3 3 PRO HG3 H 1 1.810 0.02 . 2 . . . . . . . . 5283 2
12 . 1 1 3 3 PRO HD2 H 1 3.430 0.02 . 1 . . . . . . . . 5283 2
13 . 1 1 3 3 PRO HD3 H 1 3.430 0.02 . 1 . . . . . . . . 5283 2
14 . 1 1 4 4 ARG H H 1 7.550 0.02 . 1 . . . . . . . . 5283 2
15 . 1 1 4 4 ARG HA H 1 4.100 0.02 . 1 . . . . . . . . 5283 2
16 . 1 1 4 4 ARG HB2 H 1 1.940 0.02 . 1 . . . . . . . . 5283 2
17 . 1 1 4 4 ARG HB3 H 1 1.940 0.02 . 1 . . . . . . . . 5283 2
18 . 1 1 4 4 ARG HG2 H 1 1.800 0.02 . 2 . . . . . . . . 5283 2
19 . 1 1 4 4 ARG HG3 H 1 1.700 0.02 . 2 . . . . . . . . 5283 2
20 . 1 1 4 4 ARG HD2 H 1 3.250 0.02 . 1 . . . . . . . . 5283 2
21 . 1 1 4 4 ARG HD3 H 1 3.250 0.02 . 1 . . . . . . . . 5283 2
22 . 1 1 4 4 ARG HE H 1 7.170 0.02 . 1 . . . . . . . . 5283 2
23 . 1 1 5 5 ILE H H 1 7.640 0.02 . 1 . . . . . . . . 5283 2
24 . 1 1 5 5 ILE HA H 1 3.810 0.02 . 1 . . . . . . . . 5283 2
25 . 1 1 5 5 ILE HB H 1 0.970 0.02 . 1 . . . . . . . . 5283 2
26 . 1 1 5 5 ILE HG12 H 1 1.620 0.02 . 2 . . . . . . . . 5283 2
27 . 1 1 5 5 ILE HG13 H 1 1.980 0.02 . 2 . . . . . . . . 5283 2
28 . 1 1 5 5 ILE HD11 H 1 1.180 0.02 . 1 . . . . . . . . 5283 2
29 . 1 1 5 5 ILE HD12 H 1 1.180 0.02 . 1 . . . . . . . . 5283 2
30 . 1 1 5 5 ILE HD13 H 1 1.180 0.02 . 1 . . . . . . . . 5283 2
31 . 1 1 5 5 ILE HG21 H 1 0.890 0.02 . 1 . . . . . . . . 5283 2
32 . 1 1 5 5 ILE HG22 H 1 0.890 0.02 . 1 . . . . . . . . 5283 2
33 . 1 1 5 5 ILE HG23 H 1 0.890 0.02 . 1 . . . . . . . . 5283 2
34 . 1 1 6 6 TRP H H 1 8.200 0.02 . 1 . . . . . . . . 5283 2
35 . 1 1 6 6 TRP HA H 1 4.340 0.02 . 1 . . . . . . . . 5283 2
36 . 1 1 6 6 TRP HB2 H 1 3.320 0.02 . 2 . . . . . . . . 5283 2
37 . 1 1 6 6 TRP HB3 H 1 3.110 0.02 . 2 . . . . . . . . 5283 2
38 . 1 1 6 6 TRP HD1 H 1 7.110 0.02 . 1 . . . . . . . . 5283 2
39 . 1 1 6 6 TRP HE1 H 1 9.590 0.02 . 1 . . . . . . . . 5283 2
40 . 1 1 6 6 TRP HZ2 H 1 7.420 0.02 . 1 . . . . . . . . 5283 2
41 . 1 1 6 6 TRP HH2 H 1 7.200 0.02 . 1 . . . . . . . . 5283 2
42 . 1 1 6 6 TRP HZ3 H 1 7.110 0.02 . 1 . . . . . . . . 5283 2
43 . 1 1 6 6 TRP HE3 H 1 7.530 0.02 . 1 . . . . . . . . 5283 2
44 . 1 1 7 7 LEU H H 1 8.440 0.02 . 1 . . . . . . . . 5283 2
45 . 1 1 7 7 LEU HA H 1 4.080 0.02 . 1 . . . . . . . . 5283 2
46 . 1 1 7 7 LEU HB2 H 1 1.930 0.02 . 1 . . . . . . . . 5283 2
47 . 1 1 7 7 LEU HB3 H 1 1.930 0.02 . 1 . . . . . . . . 5283 2
48 . 1 1 7 7 LEU HG H 1 1.630 0.02 . 1 . . . . . . . . 5283 2
49 . 1 1 7 7 LEU HD11 H 1 0.980 0.02 . 1 . . . . . . . . 5283 2
50 . 1 1 7 7 LEU HD12 H 1 0.980 0.02 . 1 . . . . . . . . 5283 2
51 . 1 1 7 7 LEU HD13 H 1 0.980 0.02 . 1 . . . . . . . . 5283 2
52 . 1 1 7 7 LEU HD21 H 1 0.980 0.02 . 1 . . . . . . . . 5283 2
53 . 1 1 7 7 LEU HD22 H 1 0.980 0.02 . 1 . . . . . . . . 5283 2
54 . 1 1 7 7 LEU HD23 H 1 0.980 0.02 . 1 . . . . . . . . 5283 2
55 . 1 1 8 8 HIS H H 1 8.170 0.02 . 1 . . . . . . . . 5283 2
56 . 1 1 8 8 HIS HA H 1 4.310 0.02 . 1 . . . . . . . . 5283 2
57 . 1 1 8 8 HIS HB2 H 1 3.440 0.02 . 1 . . . . . . . . 5283 2
58 . 1 1 8 8 HIS HB3 H 1 3.440 0.02 . 1 . . . . . . . . 5283 2
59 . 1 1 8 8 HIS HD2 H 1 7.340 0.02 . 1 . . . . . . . . 5283 2
60 . 1 1 8 8 HIS HE1 H 1 8.540 0.02 . 1 . . . . . . . . 5283 2
61 . 1 1 9 9 ASN H H 1 8.380 0.02 . 1 . . . . . . . . 5283 2
62 . 1 1 9 9 ASN HA H 1 4.480 0.02 . 1 . . . . . . . . 5283 2
63 . 1 1 9 9 ASN HB2 H 1 2.910 0.02 . 2 . . . . . . . . 5283 2
64 . 1 1 9 9 ASN HB3 H 1 2.800 0.02 . 2 . . . . . . . . 5283 2
65 . 1 1 9 9 ASN HD21 H 1 7.290 0.02 . 2 . . . . . . . . 5283 2
66 . 1 1 9 9 ASN HD22 H 1 6.650 0.02 . 2 . . . . . . . . 5283 2
67 . 1 1 10 10 LEU H H 1 8.310 0.02 . 1 . . . . . . . . 5283 2
68 . 1 1 10 10 LEU HA H 1 4.050 0.02 . 1 . . . . . . . . 5283 2
69 . 1 1 10 10 LEU HB2 H 1 1.710 0.02 . 1 . . . . . . . . 5283 2
70 . 1 1 10 10 LEU HB3 H 1 1.710 0.02 . 1 . . . . . . . . 5283 2
71 . 1 1 10 10 LEU HG H 1 1.320 0.02 . 1 . . . . . . . . 5283 2
72 . 1 1 10 10 LEU HD11 H 1 0.830 0.02 . 2 . . . . . . . . 5283 2
73 . 1 1 10 10 LEU HD12 H 1 0.830 0.02 . 2 . . . . . . . . 5283 2
74 . 1 1 10 10 LEU HD13 H 1 0.830 0.02 . 2 . . . . . . . . 5283 2
75 . 1 1 10 10 LEU HD21 H 1 1.520 0.02 . 2 . . . . . . . . 5283 2
76 . 1 1 10 10 LEU HD22 H 1 1.520 0.02 . 2 . . . . . . . . 5283 2
77 . 1 1 10 10 LEU HD23 H 1 1.520 0.02 . 2 . . . . . . . . 5283 2
78 . 1 1 11 11 GLY H H 1 8.420 0.02 . 1 . . . . . . . . 5283 2
79 . 1 1 11 11 GLY HA2 H 1 3.850 0.02 . 2 . . . . . . . . 5283 2
80 . 1 1 11 11 GLY HA3 H 1 3.740 0.02 . 2 . . . . . . . . 5283 2
81 . 1 1 12 12 GLN H H 1 8.040 0.02 . 1 . . . . . . . . 5283 2
82 . 1 1 12 12 GLN HA H 1 4.090 0.02 . 1 . . . . . . . . 5283 2
83 . 1 1 12 12 GLN HB2 H 1 2.070 0.02 . 1 . . . . . . . . 5283 2
84 . 1 1 12 12 GLN HB3 H 1 2.070 0.02 . 1 . . . . . . . . 5283 2
85 . 1 1 12 12 GLN HG2 H 1 2.340 0.02 . 2 . . . . . . . . 5283 2
86 . 1 1 12 12 GLN HG3 H 1 2.280 0.02 . 2 . . . . . . . . 5283 2
87 . 1 1 12 12 GLN HE21 H 1 7.260 0.02 . 2 . . . . . . . . 5283 2
88 . 1 1 12 12 GLN HE22 H 1 6.670 0.02 . 2 . . . . . . . . 5283 2
89 . 1 1 13 13 HIS H H 1 8.070 0.02 . 1 . . . . . . . . 5283 2
90 . 1 1 13 13 HIS HA H 1 4.420 0.02 . 1 . . . . . . . . 5283 2
91 . 1 1 13 13 HIS HB2 H 1 3.440 0.02 . 2 . . . . . . . . 5283 2
92 . 1 1 13 13 HIS HB3 H 1 3.350 0.02 . 2 . . . . . . . . 5283 2
93 . 1 1 13 13 HIS HD2 H 1 7.180 0.02 . 1 . . . . . . . . 5283 2
94 . 1 1 13 13 HIS HE1 H 1 8.600 0.02 . 1 . . . . . . . . 5283 2
95 . 1 1 14 14 ILE H H 1 8.580 0.02 . 1 . . . . . . . . 5283 2
96 . 1 1 14 14 ILE HA H 1 3.750 0.02 . 1 . . . . . . . . 5283 2
97 . 1 1 14 14 ILE HB H 1 0.950 0.02 . 1 . . . . . . . . 5283 2
98 . 1 1 14 14 ILE HG12 H 1 2.030 0.02 . 1 . . . . . . . . 5283 2
99 . 1 1 14 14 ILE HG13 H 1 2.030 0.02 . 1 . . . . . . . . 5283 2
100 . 1 1 14 14 ILE HD11 H 1 0.880 0.02 . 1 . . . . . . . . 5283 2
101 . 1 1 14 14 ILE HD12 H 1 0.880 0.02 . 1 . . . . . . . . 5283 2
102 . 1 1 14 14 ILE HD13 H 1 0.880 0.02 . 1 . . . . . . . . 5283 2
103 . 1 1 14 14 ILE HG21 H 1 1.190 0.02 . 1 . . . . . . . . 5283 2
104 . 1 1 14 14 ILE HG22 H 1 1.190 0.02 . 1 . . . . . . . . 5283 2
105 . 1 1 14 14 ILE HG23 H 1 1.190 0.02 . 1 . . . . . . . . 5283 2
106 . 1 1 15 15 TYR H H 1 8.410 0.02 . 1 . . . . . . . . 5283 2
107 . 1 1 15 15 TYR HA H 1 4.220 0.02 . 1 . . . . . . . . 5283 2
108 . 1 1 15 15 TYR HB2 H 1 3.130 0.02 . 1 . . . . . . . . 5283 2
109 . 1 1 15 15 TYR HB3 H 1 3.130 0.02 . 1 . . . . . . . . 5283 2
110 . 1 1 15 15 TYR HD1 H 1 7.100 0.02 . 1 . . . . . . . . 5283 2
111 . 1 1 15 15 TYR HE1 H 1 6.840 0.02 . 1 . . . . . . . . 5283 2
112 . 1 1 15 15 TYR HE2 H 1 6.840 0.02 . 1 . . . . . . . . 5283 2
113 . 1 1 15 15 TYR HD2 H 1 7.100 0.02 . 1 . . . . . . . . 5283 2
114 . 1 1 16 16 GLU H H 1 8.280 0.02 . 1 . . . . . . . . 5283 2
115 . 1 1 16 16 GLU HA H 1 4.030 0.02 . 1 . . . . . . . . 5283 2
116 . 1 1 16 16 GLU HB2 H 1 2.170 0.02 . 1 . . . . . . . . 5283 2
117 . 1 1 16 16 GLU HB3 H 1 2.170 0.02 . 1 . . . . . . . . 5283 2
118 . 1 1 16 16 GLU HG2 H 1 2.560 0.02 . 2 . . . . . . . . 5283 2
119 . 1 1 16 16 GLU HG3 H 1 2.690 0.02 . 2 . . . . . . . . 5283 2
120 . 1 1 17 17 THR H H 1 7.750 0.02 . 1 . . . . . . . . 5283 2
121 . 1 1 17 17 THR HA H 1 4.020 0.02 . 1 . . . . . . . . 5283 2
122 . 1 1 17 17 THR HB H 1 3.990 0.02 . 1 . . . . . . . . 5283 2
123 . 1 1 17 17 THR HG21 H 1 0.820 0.02 . 1 . . . . . . . . 5283 2
124 . 1 1 17 17 THR HG22 H 1 0.820 0.02 . 1 . . . . . . . . 5283 2
125 . 1 1 17 17 THR HG23 H 1 0.820 0.02 . 1 . . . . . . . . 5283 2
126 . 1 1 18 18 TYR H H 1 8.040 0.02 . 1 . . . . . . . . 5283 2
127 . 1 1 18 18 TYR HA H 1 4.590 0.02 . 1 . . . . . . . . 5283 2
128 . 1 1 18 18 TYR HB2 H 1 3.200 0.02 . 2 . . . . . . . . 5283 2
129 . 1 1 18 18 TYR HB3 H 1 2.840 0.02 . 2 . . . . . . . . 5283 2
130 . 1 1 18 18 TYR HD1 H 1 7.210 0.02 . 1 . . . . . . . . 5283 2
131 . 1 1 18 18 TYR HE1 H 1 6.810 0.02 . 1 . . . . . . . . 5283 2
132 . 1 1 18 18 TYR HE2 H 1 6.810 0.02 . 1 . . . . . . . . 5283 2
133 . 1 1 18 18 TYR HD2 H 1 7.210 0.02 . 1 . . . . . . . . 5283 2
134 . 1 1 19 19 GLY H H 1 7.970 0.02 . 1 . . . . . . . . 5283 2
135 . 1 1 19 19 GLY HA2 H 1 3.780 0.02 . 1 . . . . . . . . 5283 2
136 . 1 1 19 19 GLY HA3 H 1 3.780 0.02 . 1 . . . . . . . . 5283 2
137 . 1 1 20 20 NH2 HN1 H 1 7.09 0.02 . 2 . . . . . . . . 5283 2
138 . 1 1 20 20 NH2 HN2 H 1 6.56 0.02 . 2 . . . . . . . . 5283 2
stop_
save_