Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 2948
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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_one . 2948 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 PRO HB2 H 1 2.35 . . 2 . . . . . . . . 2948 1
2 . 1 1 1 1 PRO HB3 H 1 1.93 . . 2 . . . . . . . . 2948 1
3 . 1 1 1 1 PRO HG2 H 1 1.93 . . 1 . . . . . . . . 2948 1
4 . 1 1 1 1 PRO HG3 H 1 1.93 . . 1 . . . . . . . . 2948 1
5 . 1 1 1 1 PRO HD2 H 1 3.27 . . 1 . . . . . . . . 2948 1
6 . 1 1 1 1 PRO HD3 H 1 3.27 . . 1 . . . . . . . . 2948 1
7 . 1 1 2 2 LEU H H 1 8.87 . . 1 . . . . . . . . 2948 1
8 . 1 1 2 2 LEU HA H 1 4.32 . . 1 . . . . . . . . 2948 1
9 . 1 1 2 2 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 2948 1
10 . 1 1 2 2 LEU HB3 H 1 1.55 . . 1 . . . . . . . . 2948 1
11 . 1 1 2 2 LEU HG H 1 1.56 . . 1 . . . . . . . . 2948 1
12 . 1 1 2 2 LEU HD11 H 1 .9 . . 1 . . . . . . . . 2948 1
13 . 1 1 2 2 LEU HD12 H 1 .9 . . 1 . . . . . . . . 2948 1
14 . 1 1 2 2 LEU HD13 H 1 .9 . . 1 . . . . . . . . 2948 1
15 . 1 1 2 2 LEU HD21 H 1 .9 . . 1 . . . . . . . . 2948 1
16 . 1 1 2 2 LEU HD22 H 1 .9 . . 1 . . . . . . . . 2948 1
17 . 1 1 2 2 LEU HD23 H 1 .9 . . 1 . . . . . . . . 2948 1
18 . 1 1 3 3 GLY H H 1 8.44 . . 1 . . . . . . . . 2948 1
19 . 1 1 3 3 GLY HA2 H 1 3.82 . . 1 . . . . . . . . 2948 1
20 . 1 1 3 3 GLY HA3 H 1 3.82 . . 1 . . . . . . . . 2948 1
21 . 1 1 4 4 GLY H H 1 8.17 . . 1 . . . . . . . . 2948 1
22 . 1 1 4 4 GLY HA2 H 1 3.83 . . 1 . . . . . . . . 2948 1
23 . 1 1 4 4 GLY HA3 H 1 3.83 . . 1 . . . . . . . . 2948 1
24 . 1 1 5 5 LYS H H 1 8.15 . . 1 . . . . . . . . 2948 1
25 . 1 1 5 5 LYS HA H 1 4.21 . . 1 . . . . . . . . 2948 1
26 . 1 1 5 5 LYS HB2 H 1 1.71 . . 1 . . . . . . . . 2948 1
27 . 1 1 5 5 LYS HB3 H 1 1.71 . . 1 . . . . . . . . 2948 1
28 . 1 1 5 5 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 2948 1
29 . 1 1 5 5 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 2948 1
30 . 1 1 5 5 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 2948 1
31 . 1 1 5 5 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 2948 1
32 . 1 1 5 5 LYS HE2 H 1 2.83 . . 1 . . . . . . . . 2948 1
33 . 1 1 5 5 LYS HE3 H 1 2.83 . . 1 . . . . . . . . 2948 1
34 . 1 1 5 5 LYS HZ1 H 1 7.75 . . 1 . . . . . . . . 2948 1
35 . 1 1 5 5 LYS HZ2 H 1 7.75 . . 1 . . . . . . . . 2948 1
36 . 1 1 5 5 LYS HZ3 H 1 7.75 . . 1 . . . . . . . . 2948 1
37 . 1 1 6 6 ARG H H 1 8.18 . . 1 . . . . . . . . 2948 1
38 . 1 1 6 6 ARG HA H 1 4.21 . . 1 . . . . . . . . 2948 1
39 . 1 1 6 6 ARG HB2 H 1 1.74 . . 1 . . . . . . . . 2948 1
40 . 1 1 6 6 ARG HB3 H 1 1.74 . . 1 . . . . . . . . 2948 1
41 . 1 1 6 6 ARG HG2 H 1 1.59 . . 1 . . . . . . . . 2948 1
42 . 1 1 6 6 ARG HG3 H 1 1.59 . . 1 . . . . . . . . 2948 1
43 . 1 1 6 6 ARG HD2 H 1 3.12 . . 1 . . . . . . . . 2948 1
44 . 1 1 6 6 ARG HD3 H 1 3.12 . . 1 . . . . . . . . 2948 1
45 . 1 1 6 6 ARG HE H 1 7.54 . . 1 . . . . . . . . 2948 1
46 . 1 1 7 7 ALA H H 1 8.14 . . 1 . . . . . . . . 2948 1
47 . 1 1 7 7 ALA HA H 1 4.21 . . 1 . . . . . . . . 2948 1
48 . 1 1 7 7 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 2948 1
49 . 1 1 7 7 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 2948 1
50 . 1 1 7 7 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 2948 1
51 . 1 1 8 8 VAL H H 1 7.87 . . 1 . . . . . . . . 2948 1
52 . 1 1 8 8 VAL HA H 1 4.04 . . 1 . . . . . . . . 2948 1
53 . 1 1 8 8 VAL HB H 1 2 . . 1 . . . . . . . . 2948 1
54 . 1 1 8 8 VAL HG11 H 1 .86 . . 1 . . . . . . . . 2948 1
55 . 1 1 8 8 VAL HG12 H 1 .86 . . 1 . . . . . . . . 2948 1
56 . 1 1 8 8 VAL HG13 H 1 .86 . . 1 . . . . . . . . 2948 1
57 . 1 1 8 8 VAL HG21 H 1 .86 . . 1 . . . . . . . . 2948 1
58 . 1 1 8 8 VAL HG22 H 1 .86 . . 1 . . . . . . . . 2948 1
59 . 1 1 8 8 VAL HG23 H 1 .86 . . 1 . . . . . . . . 2948 1
60 . 1 1 9 9 LEU H H 1 8.03 . . 1 . . . . . . . . 2948 1
61 . 1 1 9 9 LEU HA H 1 4.3 . . 1 . . . . . . . . 2948 1
62 . 1 1 9 9 LEU HB2 H 1 1.49 . . 1 . . . . . . . . 2948 1
63 . 1 1 9 9 LEU HB3 H 1 1.49 . . 1 . . . . . . . . 2948 1
64 . 1 1 9 9 LEU HG H 1 1.49 . . 1 . . . . . . . . 2948 1
65 . 1 1 9 9 LEU HD11 H 1 .85 . . 1 . . . . . . . . 2948 1
66 . 1 1 9 9 LEU HD12 H 1 .85 . . 1 . . . . . . . . 2948 1
67 . 1 1 9 9 LEU HD13 H 1 .85 . . 1 . . . . . . . . 2948 1
68 . 1 1 9 9 LEU HD21 H 1 .85 . . 1 . . . . . . . . 2948 1
69 . 1 1 9 9 LEU HD22 H 1 .85 . . 1 . . . . . . . . 2948 1
70 . 1 1 9 9 LEU HD23 H 1 .85 . . 1 . . . . . . . . 2948 1
71 . 1 1 10 10 ASP H H 1 8.3 . . 1 . . . . . . . . 2948 1
72 . 1 1 10 10 ASP HA H 1 4.55 . . 1 . . . . . . . . 2948 1
73 . 1 1 10 10 ASP HB2 H 1 2.8 . . 2 . . . . . . . . 2948 1
74 . 1 1 10 10 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 2948 1
75 . 1 1 11 11 LEU H H 1 7.93 . . 1 . . . . . . . . 2948 1
76 . 1 1 11 11 LEU HA H 1 4.22 . . 1 . . . . . . . . 2948 1
77 . 1 1 11 11 LEU HB2 H 1 1.5 . . 1 . . . . . . . . 2948 1
78 . 1 1 11 11 LEU HB3 H 1 1.5 . . 1 . . . . . . . . 2948 1
79 . 1 1 11 11 LEU HG H 1 1.5 . . 1 . . . . . . . . 2948 1
80 . 1 1 11 11 LEU HD11 H 1 .85 . . 1 . . . . . . . . 2948 1
81 . 1 1 11 11 LEU HD12 H 1 .85 . . 1 . . . . . . . . 2948 1
82 . 1 1 11 11 LEU HD13 H 1 .85 . . 1 . . . . . . . . 2948 1
83 . 1 1 11 11 LEU HD21 H 1 .85 . . 1 . . . . . . . . 2948 1
84 . 1 1 11 11 LEU HD22 H 1 .85 . . 1 . . . . . . . . 2948 1
85 . 1 1 11 11 LEU HD23 H 1 .85 . . 1 . . . . . . . . 2948 1
86 . 1 1 12 12 ASP H H 1 8.25 . . 1 . . . . . . . . 2948 1
87 . 1 1 12 12 ASP HA H 1 4.59 . . 1 . . . . . . . . 2948 1
88 . 1 1 12 12 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 2948 1
89 . 1 1 12 12 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 2948 1
90 . 1 1 13 13 VAL H H 1 7.62 . . 1 . . . . . . . . 2948 1
91 . 1 1 13 13 VAL HA H 1 4.09 . . 1 . . . . . . . . 2948 1
92 . 1 1 13 13 VAL HB H 1 2.06 . . 1 . . . . . . . . 2948 1
93 . 1 1 13 13 VAL HG11 H 1 .85 . . 1 . . . . . . . . 2948 1
94 . 1 1 13 13 VAL HG12 H 1 .85 . . 1 . . . . . . . . 2948 1
95 . 1 1 13 13 VAL HG13 H 1 .85 . . 1 . . . . . . . . 2948 1
96 . 1 1 13 13 VAL HG21 H 1 .85 . . 1 . . . . . . . . 2948 1
97 . 1 1 13 13 VAL HG22 H 1 .85 . . 1 . . . . . . . . 2948 1
98 . 1 1 13 13 VAL HG23 H 1 .85 . . 1 . . . . . . . . 2948 1
99 . 1 1 14 14 ARG H H 1 8.06 . . 1 . . . . . . . . 2948 1
100 . 1 1 14 14 ARG HA H 1 4.18 . . 1 . . . . . . . . 2948 1
101 . 1 1 14 14 ARG HB2 H 1 1.76 . . 1 . . . . . . . . 2948 1
102 . 1 1 14 14 ARG HB3 H 1 1.76 . . 1 . . . . . . . . 2948 1
103 . 1 1 14 14 ARG HG2 H 1 1.57 . . 1 . . . . . . . . 2948 1
104 . 1 1 14 14 ARG HG3 H 1 1.57 . . 1 . . . . . . . . 2948 1
105 . 1 1 14 14 ARG HD2 H 1 3.12 . . 1 . . . . . . . . 2948 1
106 . 1 1 14 14 ARG HD3 H 1 3.12 . . 1 . . . . . . . . 2948 1
107 . 1 1 14 14 ARG HE H 1 7.46 . . 1 . . . . . . . . 2948 1
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