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 26009
_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 isotropic 26009 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26009 1
3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 26009 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 1 1 ARG HA H 1 3.971 0.000 . . . . . A 1 ARG HA . 26009 1
2 . 1 1 1 1 ARG HB2 H 1 1.826 0.004 . . . . . A 1 ARG HB2 . 26009 1
3 . 1 1 1 1 ARG HB3 H 1 1.826 0.004 . . . . . A 1 ARG HB3 . 26009 1
4 . 1 1 1 1 ARG HD2 H 1 3.095 0.003 . . . . . A 1 ARG HD2 . 26009 1
5 . 1 1 1 1 ARG HD3 H 1 3.095 0.003 . . . . . A 1 ARG HD3 . 26009 1
6 . 1 1 1 1 ARG HE H 1 7.380 0.048 . . . . . A 1 ARG HE . 26009 1
7 . 1 1 2 2 GLY H H 1 8.978 0.001 . . . . . A 2 GLY H . 26009 1
8 . 1 1 2 2 GLY HA2 H 1 3.894 0.000 . . . . . A 2 GLY HA2 . 26009 1
9 . 1 1 2 2 GLY HA3 H 1 3.894 0.000 . . . . . A 2 GLY HA3 . 26009 1
10 . 1 1 3 3 GLY H H 1 8.455 0.052 . . . . . A 3 GLY H . 26009 1
11 . 1 1 3 3 GLY HA2 H 1 3.894 0.037 . . . . . A 3 GLY HA2 . 26009 1
12 . 1 1 3 3 GLY HA3 H 1 3.894 0.037 . . . . . A 3 GLY HA3 . 26009 1
13 . 1 1 4 4 ARG H H 1 8.647 0.002 . . . . . A 4 ARG H . 26009 1
14 . 1 1 4 4 ARG HA H 1 4.202 0.058 . . . . . A 4 ARG HA . 26009 1
15 . 1 1 4 4 ARG HB2 H 1 1.711 0.001 . . . . . A 4 ARG HB2 . 26009 1
16 . 1 1 4 4 ARG HB3 H 1 1.711 0.001 . . . . . A 4 ARG HB3 . 26009 1
17 . 1 1 4 4 ARG HG2 H 1 1.531 0.000 . . . . . A 4 ARG HG2 . 26009 1
18 . 1 1 4 4 ARG HG3 H 1 1.531 0.000 . . . . . A 4 ARG HG3 . 26009 1
19 . 1 1 4 4 ARG HD2 H 1 3.042 0.000 . . . . . A 4 ARG HD2 . 26009 1
20 . 1 1 4 4 ARG HD3 H 1 3.042 0.000 . . . . . A 4 ARG HD3 . 26009 1
21 . 1 1 4 4 ARG HE H 1 7.518 0.046 . . . . . A 4 ARG HE . 26009 1
22 . 1 1 5 5 LEU H H 1 8.543 0.031 . . . . . A 5 LEU H . 26009 1
23 . 1 1 5 5 LEU HA H 1 4.214 0.059 . . . . . A 5 LEU HA . 26009 1
24 . 1 1 5 5 LEU HB2 H 1 1.616 0.059 . . . . . A 5 LEU HB2 . 26009 1
25 . 1 1 5 5 LEU HB3 H 1 1.616 0.059 . . . . . A 5 LEU HB3 . 26009 1
26 . 1 1 5 5 LEU HG H 1 1.507 0.059 . . . . . A 5 LEU HG . 26009 1
27 . 1 1 5 5 LEU HD11 H 1 0.769 0.001 . . . . . A 5 LEU HD11 . 26009 1
28 . 1 1 5 5 LEU HD12 H 1 0.769 0.001 . . . . . A 5 LEU HD12 . 26009 1
29 . 1 1 5 5 LEU HD13 H 1 0.769 0.001 . . . . . A 5 LEU HD13 . 26009 1
30 . 1 1 5 5 LEU HD21 H 1 0.825 0.003 . . . . . A 5 LEU HD21 . 26009 1
31 . 1 1 5 5 LEU HD22 H 1 0.825 0.003 . . . . . A 5 LEU HD22 . 26009 1
32 . 1 1 5 5 LEU HD23 H 1 0.825 0.003 . . . . . A 5 LEU HD23 . 26009 1
33 . 1 1 6 6 CYS H H 1 8.010 0.055 . . . . . A 6 CYS H . 26009 1
34 . 1 1 6 6 CYS HA H 1 4.279 0.040 . . . . . A 6 CYS HA . 26009 1
35 . 1 1 6 6 CYS HB2 H 1 2.730 0.001 . . . . . A 6 CYS HB2 . 26009 1
36 . 1 1 6 6 CYS HB3 H 1 2.730 0.001 . . . . . A 6 CYS HB3 . 26009 1
37 . 1 1 7 7 TYR H H 1 8.073 0.002 . . . . . A 7 TYR H . 26009 1
38 . 1 1 7 7 TYR HA H 1 4.433 0.052 . . . . . A 7 TYR HA . 26009 1
39 . 1 1 7 7 TYR HB2 H 1 2.818 0.004 . . . . . A 7 TYR HB2 . 26009 1
40 . 1 1 7 7 TYR HB3 H 1 2.967 0.001 . . . . . A 7 TYR HB3 . 26009 1
41 . 1 1 7 7 TYR HD1 H 1 7.046 0.055 . . . . . A 7 TYR HD1 . 26009 1
42 . 1 1 7 7 TYR HD2 H 1 7.046 0.055 . . . . . A 7 TYR HD2 . 26009 1
43 . 1 1 7 7 TYR HE1 H 1 6.739 0.057 . . . . . A 7 TYR HE1 . 26009 1
44 . 1 1 7 7 TYR HE2 H 1 6.739 0.057 . . . . . A 7 TYR HE2 . 26009 1
45 . 1 1 8 8 CYS H H 1 7.876 0.044 . . . . . A 8 CYS H . 26009 1
46 . 1 1 8 8 CYS HA H 1 4.349 0.003 . . . . . A 8 CYS HA . 26009 1
47 . 1 1 8 8 CYS HB2 H 1 2.742 0.003 . . . . . A 8 CYS HB2 . 26009 1
48 . 1 1 8 8 CYS HB3 H 1 2.742 0.003 . . . . . A 8 CYS HB3 . 26009 1
49 . 1 1 9 9 ARG H H 1 8.402 0.002 . . . . . A 9 ARG H . 26009 1
50 . 1 1 9 9 ARG HA H 1 4.245 0.037 . . . . . A 9 ARG HA . 26009 1
51 . 1 1 9 9 ARG HB2 H 1 1.636 0.000 . . . . . A 9 ARG HB2 . 26009 1
52 . 1 1 9 9 ARG HB3 H 1 1.745 0.000 . . . . . A 9 ARG HB3 . 26009 1
53 . 1 1 9 9 ARG HG2 H 1 1.519 0.000 . . . . . A 9 ARG HG2 . 26009 1
54 . 1 1 9 9 ARG HG3 H 1 1.519 0.000 . . . . . A 9 ARG HG3 . 26009 1
55 . 1 1 9 9 ARG HD2 H 1 3.027 0.001 . . . . . A 9 ARG HD2 . 26009 1
56 . 1 1 9 9 ARG HD3 H 1 3.027 0.001 . . . . . A 9 ARG HD3 . 26009 1
57 . 1 1 9 9 ARG HE H 1 7.525 0.048 . . . . . A 9 ARG HE . 26009 1
58 . 1 1 10 10 PRO HA H 1 4.280 0.000 . . . . . A 10 PRO HA . 26009 1
59 . 1 1 10 10 PRO HB2 H 1 1.930 0.000 . . . . . A 10 PRO HB2 . 26009 1
60 . 1 1 10 10 PRO HB3 H 1 1.930 0.000 . . . . . A 10 PRO HB3 . 26009 1
61 . 1 1 10 10 PRO HG2 H 1 1.643 0.001 . . . . . A 10 PRO HG2 . 26009 1
62 . 1 1 10 10 PRO HG3 H 1 1.643 0.001 . . . . . A 10 PRO HG3 . 26009 1
63 . 1 1 10 10 PRO HD2 H 1 3.458 0.002 . . . . . A 10 PRO HD2 . 26009 1
64 . 1 1 10 10 PRO HD3 H 1 3.771 0.046 . . . . . A 10 PRO HD3 . 26009 1
65 . 1 1 11 11 ARG H H 1 8.198 0.001 . . . . . A 11 ARG H . 26009 1
66 . 1 1 11 11 ARG HA H 1 4.069 0.004 . . . . . A 11 ARG HA . 26009 1
67 . 1 1 11 11 ARG HB2 H 1 1.532 0.002 . . . . . A 11 ARG HB2 . 26009 1
68 . 1 1 11 11 ARG HB3 H 1 1.667 0.000 . . . . . A 11 ARG HB3 . 26009 1
69 . 1 1 11 11 ARG HG2 H 1 1.468 0.000 . . . . . A 11 ARG HG2 . 26009 1
70 . 1 1 11 11 ARG HG3 H 1 1.468 0.000 . . . . . A 11 ARG HG3 . 26009 1
71 . 1 1 11 11 ARG HD2 H 1 3.004 0.000 . . . . . A 11 ARG HD2 . 26009 1
72 . 1 1 11 11 ARG HD3 H 1 3.004 0.000 . . . . . A 11 ARG HD3 . 26009 1
73 . 1 1 11 11 ARG HE H 1 7.420 0.000 . . . . . A 11 ARG HE . 26009 1
74 . 1 1 12 12 PHE H H 1 7.999 0.058 . . . . . A 12 PHE H . 26009 1
75 . 1 1 12 12 PHE HA H 1 4.454 0.001 . . . . . A 12 PHE HA . 26009 1
76 . 1 1 12 12 PHE HB2 H 1 3.000 0.000 . . . . . A 12 PHE HB2 . 26009 1
77 . 1 1 12 12 PHE HB3 H 1 3.060 0.000 . . . . . A 12 PHE HB3 . 26009 1
78 . 1 1 12 12 PHE HD1 H 1 7.218 0.050 . . . . . A 12 PHE HD1 . 26009 1
79 . 1 1 12 12 PHE HD2 H 1 7.218 0.050 . . . . . A 12 PHE HD2 . 26009 1
80 . 1 1 12 12 PHE HE1 H 1 7.146 0.008 . . . . . A 12 PHE HE1 . 26009 1
81 . 1 1 12 12 PHE HE2 H 1 7.146 0.008 . . . . . A 12 PHE HE2 . 26009 1
82 . 1 1 13 13 CYS H H 1 8.197 0.001 . . . . . A 13 CYS H . 26009 1
83 . 1 1 13 13 CYS HA H 1 4.280 0.005 . . . . . A 13 CYS HA . 26009 1
84 . 1 1 13 13 CYS HB2 H 1 2.777 0.002 . . . . . A 13 CYS HB2 . 26009 1
85 . 1 1 13 13 CYS HB3 H 1 2.777 0.002 . . . . . A 13 CYS HB3 . 26009 1
86 . 1 1 14 14 VAL H H 1 7.908 0.055 . . . . . A 14 VAL H . 26009 1
87 . 1 1 14 14 VAL HA H 1 4.018 0.051 . . . . . A 14 VAL HA . 26009 1
88 . 1 1 14 14 VAL HB H 1 2.045 0.040 . . . . . A 14 VAL HB . 26009 1
89 . 1 1 14 14 VAL HG11 H 1 0.845 0.003 . . . . . A 14 VAL HG11 . 26009 1
90 . 1 1 14 14 VAL HG12 H 1 0.845 0.003 . . . . . A 14 VAL HG12 . 26009 1
91 . 1 1 14 14 VAL HG13 H 1 0.845 0.003 . . . . . A 14 VAL HG13 . 26009 1
92 . 1 1 14 14 VAL HG21 H 1 0.845 0.003 . . . . . A 14 VAL HG21 . 26009 1
93 . 1 1 14 14 VAL HG22 H 1 0.845 0.003 . . . . . A 14 VAL HG22 . 26009 1
94 . 1 1 14 14 VAL HG23 H 1 0.845 0.003 . . . . . A 14 VAL HG23 . 26009 1
95 . 1 1 15 15 CYS H H 1 8.286 0.002 . . . . . A 15 CYS H . 26009 1
96 . 1 1 15 15 CYS HA H 1 4.350 0.002 . . . . . A 15 CYS HA . 26009 1
97 . 1 1 15 15 CYS HB2 H 1 2.796 0.000 . . . . . A 15 CYS HB2 . 26009 1
98 . 1 1 15 15 CYS HB3 H 1 2.796 0.000 . . . . . A 15 CYS HB3 . 26009 1
99 . 1 1 16 16 VAL H H 1 7.947 0.057 . . . . . A 16 VAL H . 26009 1
100 . 1 1 16 16 VAL HA H 1 4.086 0.052 . . . . . A 16 VAL HA . 26009 1
101 . 1 1 16 16 VAL HB H 1 2.052 0.049 . . . . . A 16 VAL HB . 26009 1
102 . 1 1 16 16 VAL HG11 H 1 0.792 0.005 . . . . . A 16 VAL HG11 . 26009 1
103 . 1 1 16 16 VAL HG12 H 1 0.792 0.005 . . . . . A 16 VAL HG12 . 26009 1
104 . 1 1 16 16 VAL HG13 H 1 0.792 0.005 . . . . . A 16 VAL HG13 . 26009 1
105 . 1 1 16 16 VAL HG21 H 1 0.792 0.005 . . . . . A 16 VAL HG21 . 26009 1
106 . 1 1 16 16 VAL HG22 H 1 0.792 0.005 . . . . . A 16 VAL HG22 . 26009 1
107 . 1 1 16 16 VAL HG23 H 1 0.792 0.005 . . . . . A 16 VAL HG23 . 26009 1
108 . 1 1 17 17 GLY H H 1 8.327 0.002 . . . . . A 17 GLY H . 26009 1
109 . 1 1 17 17 GLY HA2 H 1 3.866 0.055 . . . . . A 17 GLY HA2 . 26009 1
110 . 1 1 17 17 GLY HA3 H 1 3.866 0.055 . . . . . A 17 GLY HA3 . 26009 1
111 . 1 1 18 18 ARG H H 1 8.015 0.044 . . . . . A 18 ARG H . 26009 1
112 . 1 1 18 18 ARG HA H 1 4.168 0.004 . . . . . A 18 ARG HA . 26009 1
113 . 1 1 18 18 ARG HB2 H 1 1.790 0.004 . . . . . A 18 ARG HB2 . 26009 1
114 . 1 1 18 18 ARG HB3 H 1 1.790 0.004 . . . . . A 18 ARG HB3 . 26009 1
115 . 1 1 18 18 ARG HG2 H 1 1.500 0.000 . . . . . A 18 ARG HG2 . 26009 1
116 . 1 1 18 18 ARG HG3 H 1 1.600 0.002 . . . . . A 18 ARG HG3 . 26009 1
117 . 1 1 18 18 ARG HD2 H 1 3.053 0.001 . . . . . A 18 ARG HD2 . 26009 1
118 . 1 1 18 18 ARG HD3 H 1 3.053 0.001 . . . . . A 18 ARG HD3 . 26009 1
119 . 1 1 18 18 ARG HE H 1 7.419 0.042 . . . . . A 18 ARG HE . 26009 1
stop_
save_