Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5463
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_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 $sample_1 . 5463 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 SER HA H 1 3.898 . . . . . . . . . . . 5463 1
2 . 1 1 1 1 SER HB3 H 1 3.654 . . . . . . . . . . . 5463 1
3 . 1 1 1 1 SER HB2 H 1 3.734 . . . . . . . . . . . 5463 1
4 . 1 1 2 2 SER H H 1 8.560 . . . . . . . . . . . 5463 1
5 . 1 1 2 2 SER HA H 1 4.404 . . . . . . . . . . . 5463 1
6 . 1 1 2 2 SER HB3 H 1 3.560 . . . . . . . . . . . 5463 1
7 . 1 1 2 2 SER HB2 H 1 3.616 . . . . . . . . . . . 5463 1
8 . 1 1 3 3 MET H H 1 8.125 . . . . . . . . . . . 5463 1
9 . 1 1 3 3 MET HG2 H 1 2.413 . . . . . . . . . . . 5463 1
10 . 1 1 3 3 MET HB2 H 1 1.889 . . . . . . . . . . . 5463 1
11 . 1 1 3 3 MET HB3 H 1 1.771 . . . . . . . . . . . 5463 1
12 . 1 1 3 3 MET HA H 1 4.353 . . . . . . . . . . . 5463 1
13 . 1 1 3 3 MET HE1 H 1 2.053 . . . . . . . . . . . 5463 1
14 . 1 1 3 3 MET HE2 H 1 2.053 . . . . . . . . . . . 5463 1
15 . 1 1 3 3 MET HE3 H 1 2.053 . . . . . . . . . . . 5463 1
16 . 1 1 4 4 LYS H H 1 8.045 . . . . . . . . . . . 5463 1
17 . 1 1 4 4 LYS HE2 H 1 2.734 . . . . . . . . . . . 5463 1
18 . 1 1 4 4 LYS HD2 H 1 1.614 . . . . . . . . . . . 5463 1
19 . 1 1 4 4 LYS HG3 H 1 1.477 . . . . . . . . . . . 5463 1
20 . 1 1 4 4 LYS HG2 H 1 1.276 . . . . . . . . . . . 5463 1
21 . 1 1 4 4 LYS HA H 1 4.209 . . . . . . . . . . . 5463 1
22 . 1 1 4 4 LYS HZ1 H 1 7.686 . . . . . . . . . . . 5463 1
23 . 1 1 4 4 LYS HZ2 H 1 7.686 . . . . . . . . . . . 5463 1
24 . 1 1 4 4 LYS HZ3 H 1 7.686 . . . . . . . . . . . 5463 1
25 . 1 1 5 5 LEU H H 1 7.981 . . . . . . . . . . . 5463 1
26 . 1 1 5 5 LEU HA H 1 4.181 . . . . . . . . . . . 5463 1
27 . 1 1 5 5 LEU HB2 H 1 1.611 . . . . . . . . . . . 5463 1
28 . 1 1 5 5 LEU HG H 1 1.493 . . . . . . . . . . . 5463 1
29 . 1 1 5 5 LEU HD11 H 1 0.865 . . . . . . . . . . . 5463 1
30 . 1 1 5 5 LEU HD12 H 1 0.865 . . . . . . . . . . . 5463 1
31 . 1 1 5 5 LEU HD13 H 1 0.865 . . . . . . . . . . . 5463 1
32 . 1 1 5 5 LEU HD21 H 1 0.811 . . . . . . . . . . . 5463 1
33 . 1 1 5 5 LEU HD22 H 1 0.811 . . . . . . . . . . . 5463 1
34 . 1 1 5 5 LEU HD23 H 1 0.811 . . . . . . . . . . . 5463 1
35 . 1 1 6 6 SER H H 1 8.074 . . . . . . . . . . . 5463 1
36 . 1 1 6 6 SER HB3 H 1 3.589 . . . . . . . . . . . 5463 1
37 . 1 1 6 6 SER HA H 1 4.222 . . . . . . . . . . . 5463 1
38 . 1 1 6 6 SER HB2 H 1 3.673 . . . . . . . . . . . 5463 1
39 . 1 1 7 7 PHE H H 1 7.940 . . . . . . . . . . . 5463 1
40 . 1 1 7 7 PHE HA H 1 4.514 . . . . . . . . . . . 5463 1
41 . 1 1 7 7 PHE HB2 H 1 3.028 . . . . . . . . . . . 5463 1
42 . 1 1 7 7 PHE HB3 H 1 2.801 . . . . . . . . . . . 5463 1
43 . 1 1 7 7 PHE HD1 H 1 7.195 . . . . . . . . . . . 5463 1
44 . 1 1 8 8 ARG H H 1 8.110 . . . . . . . . . . . 5463 1
45 . 1 1 8 8 ARG HA H 1 4.236 . . . . . . . . . . . 5463 1
46 . 1 1 8 8 ARG HD2 H 1 3.069 . . . . . . . . . . . 5463 1
47 . 1 1 8 8 ARG HB2 H 1 1.668 . . . . . . . . . . . 5463 1
48 . 1 1 8 8 ARG HG2 H 1 1.480 . . . . . . . . . . . 5463 1
49 . 1 1 8 8 ARG HE H 1 7.539 . . . . . . . . . . . 5463 1
50 . 1 1 9 9 ALA H H 1 7.959 . . . . . . . . . . . 5463 1
51 . 1 1 9 9 ALA HA H 1 4.252 . . . . . . . . . . . 5463 1
52 . 1 1 9 9 ALA HB1 H 1 1.211 . . . . . . . . . . . 5463 1
53 . 1 1 9 9 ALA HB2 H 1 1.211 . . . . . . . . . . . 5463 1
54 . 1 1 9 9 ALA HB3 H 1 1.211 . . . . . . . . . . . 5463 1
55 . 1 1 10 10 ARG H H 1 8.014 . . . . . . . . . . . 5463 1
56 . 1 1 10 10 ARG HA H 1 4.201 . . . . . . . . . . . 5463 1
57 . 1 1 10 10 ARG HD2 H 1 3.027 . . . . . . . . . . . 5463 1
58 . 1 1 10 10 ARG HG2 H 1 1.486 . . . . . . . . . . . 5463 1
59 . 1 1 10 10 ARG HB2 H 1 1.637 . . . . . . . . . . . 5463 1
60 . 1 1 10 10 ARG HE H 1 7.503 . . . . . . . . . . . 5463 1
61 . 1 1 11 11 ALA H H 1 7.836 . . . . . . . . . . . 5463 1
62 . 1 1 11 11 ALA HA H 1 4.218 . . . . . . . . . . . 5463 1
63 . 1 1 11 11 ALA HB1 H 1 1.139 . . . . . . . . . . . 5463 1
64 . 1 1 11 11 ALA HB2 H 1 1.139 . . . . . . . . . . . 5463 1
65 . 1 1 11 11 ALA HB3 H 1 1.139 . . . . . . . . . . . 5463 1
66 . 1 1 12 12 TYR H H 1 7.902 . . . . . . . . . . . 5463 1
67 . 1 1 12 12 TYR HA H 1 4.357 . . . . . . . . . . . 5463 1
68 . 1 1 12 12 TYR HB2 H 1 2.824 . . . . . . . . . . . 5463 1
69 . 1 1 12 12 TYR HB3 H 1 2.652 . . . . . . . . . . . 5463 1
70 . 1 1 12 12 TYR HD1 H 1 6.976 . . . . . . . . . . . 5463 1
71 . 1 1 12 12 TYR HE1 H 1 6.602 . . . . . . . . . . . 5463 1
72 . 1 1 13 13 GLY H H 1 7.969 . . . . . . . . . . . 5463 1
73 . 1 1 13 13 GLY HA2 H 1 3.998 . . . . . . . . . . . 5463 1
74 . 1 1 13 13 GLY HA3 H 1 3.849 . . . . . . . . . . . 5463 1
75 . 1 1 14 14 PHE H H 1 8.013 . . . . . . . . . . . 5463 1
76 . 1 1 14 14 PHE HB2 H 1 3.027 . . . . . . . . . . . 5463 1
77 . 1 1 14 14 PHE HB3 H 1 2.754 . . . . . . . . . . . 5463 1
78 . 1 1 14 14 PHE HD1 H 1 7.090 . . . . . . . . . . . 5463 1
79 . 1 1 14 14 PHE HZ H 1 6.988 . . . . . . . . . . . 5463 1
80 . 1 1 14 14 PHE HE1 H 1 7.195 . . . . . . . . . . . 5463 1
81 . 1 1 14 14 PHE HA H 1 4.573 . . . . . . . . . . . 5463 1
82 . 1 1 15 15 ARG H H 1 8.260 . . . . . . . . . . . 5463 1
83 . 1 1 15 15 ARG HA H 1 4.342 . . . . . . . . . . . 5463 1
84 . 1 1 15 15 ARG HD2 H 1 3.084 . . . . . . . . . . . 5463 1
85 . 1 1 15 15 ARG HB2 H 1 1.699 . . . . . . . . . . . 5463 1
86 . 1 1 15 15 ARG HG2 H 1 1.510 . . . . . . . . . . . 5463 1
87 . 1 1 15 15 ARG HE H 1 7.503 . . . . . . . . . . . 5463 1
88 . 1 1 16 16 GLY H H 1 7.892 . . . . . . . . . . . 5463 1
89 . 1 1 16 16 GLY HA2 H 1 3.941 . . . . . . . . . . . 5463 1
90 . 1 1 16 16 GLY HA3 H 1 3.513 . . . . . . . . . . . 5463 1
91 . 1 1 17 17 PRO HA H 1 4.474 . . . . . . . . . . . 5463 1
92 . 1 1 17 17 PRO HD2 H 1 3.442 . . . . . . . . . . . 5463 1
93 . 1 1 17 17 PRO HD3 H 1 3.368 . . . . . . . . . . . 5463 1
94 . 1 1 17 17 PRO HG3 H 1 2.180 . . . . . . . . . . . 5463 1
95 . 1 1 17 17 PRO HG2 H 1 2.000 . . . . . . . . . . . 5463 1
96 . 1 1 17 17 PRO HB2 H 1 1.765 . . . . . . . . . . . 5463 1
97 . 1 1 17 17 PRO HB3 H 1 1.528 . . . . . . . . . . . 5463 1
98 . 1 1 18 18 GLY H H 1 8.298 . . . . . . . . . . . 5463 1
99 . 1 1 18 18 GLY HA2 H 1 3.806 . . . . . . . . . . . 5463 1
100 . 1 1 18 18 GLY HA3 H 1 3.674 . . . . . . . . . . . 5463 1
101 . 1 1 19 19 PRO HA H 1 4.312 . . . . . . . . . . . 5463 1
102 . 1 1 19 19 PRO HB2 H 1 1.411 . . . . . . . . . . . 5463 1
103 . 1 1 19 19 PRO HD2 H 1 0.846 . . . . . . . . . . . 5463 1
104 . 1 1 19 19 PRO HB3 H 1 1.533 . . . . . . . . . . . 5463 1
105 . 1 1 20 20 GLN H H 1 8.076 . . . . . . . . . . . 5463 1
106 . 1 1 20 20 GLN HA H 1 4.222 . . . . . . . . . . . 5463 1
107 . 1 1 20 20 GLN HB2 H 1 2.088 . . . . . . . . . . . 5463 1
108 . 1 1 20 20 GLN HB3 H 1 1.874 . . . . . . . . . . . 5463 1
109 . 1 1 20 20 GLN HE21 H 1 7.205 . . . . . . . . . . . 5463 1
110 . 1 1 20 20 GLN HE22 H 1 6.729 . . . . . . . . . . . 5463 1
111 . 1 1 20 20 GLN HG2 H 1 1.717 . . . . . . . . . . . 5463 1
112 . 1 1 21 21 LEU H H 1 7.864 . . . . . . . . . . . 5463 1
113 . 1 1 21 21 LEU HA H 1 4.321 . . . . . . . . . . . 5463 1
114 . 1 1 21 21 LEU HG H 1 1.548 . . . . . . . . . . . 5463 1
115 . 1 1 21 21 LEU HB2 H 1 1.381 . . . . . . . . . . . 5463 1
116 . 1 1 21 21 LEU HD11 H 1 0.840 . . . . . . . . . . . 5463 1
117 . 1 1 21 21 LEU HD12 H 1 0.840 . . . . . . . . . . . 5463 1
118 . 1 1 21 21 LEU HD13 H 1 0.840 . . . . . . . . . . . 5463 1
119 . 1 1 21 21 LEU HD21 H 1 0.802 . . . . . . . . . . . 5463 1
120 . 1 1 21 21 LEU HD22 H 1 0.802 . . . . . . . . . . . 5463 1
121 . 1 1 21 21 LEU HD23 H 1 0.802 . . . . . . . . . . . 5463 1
122 . 1 1 21 21 LEU HB3 H 1 1.395 . . . . . . . . . . . 5463 1
stop_
save_