Content for NMR-STAR saveframe, "S2_shift_set"
save_S2_shift_set
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode S2_shift_set
_Assigned_chem_shift_list.Entry_ID 5376
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_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
1 '2D 1H-1H NOESY' . . . 5376 1
2 '2D 1H-1H TOCSY (15N separated)' . . . 5376 1
3 '2D 1H-15N HSQC (w/o 1H decoupling)' . . . 5376 1
4 '2D 1H-13C CT-HSQC (w/o 1H decoupling)' . . . 5376 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 ILE HA H 1 3.86 . . 1 . . . . . . . . 5376 1
2 . 1 1 1 1 ILE HB H 1 1.95 . . 1 . . . . . . . . 5376 1
3 . 1 1 1 1 ILE HG12 H 1 1.47 . . 2 . . . . . . . . 5376 1
4 . 1 1 1 1 ILE HG13 H 1 1.21 . . 2 . . . . . . . . 5376 1
5 . 1 1 1 1 ILE HG21 H 1 0.99 . . 1 . . . . . . . . 5376 1
6 . 1 1 1 1 ILE HG22 H 1 0.99 . . 1 . . . . . . . . 5376 1
7 . 1 1 1 1 ILE HG23 H 1 0.99 . . 1 . . . . . . . . 5376 1
8 . 1 1 1 1 ILE HD11 H 1 0.92 . . 1 . . . . . . . . 5376 1
9 . 1 1 1 1 ILE HD12 H 1 0.92 . . 1 . . . . . . . . 5376 1
10 . 1 1 1 1 ILE HD13 H 1 0.92 . . 1 . . . . . . . . 5376 1
11 . 1 1 1 1 ILE CA C 13 60.5 . . 1 . . . . . . . . 5376 1
12 . 1 1 1 1 ILE CB C 13 39.3 . . 1 . . . . . . . . 5376 1
13 . 1 1 1 1 ILE CG1 C 13 26.7 . . 1 . . . . . . . . 5376 1
14 . 1 1 1 1 ILE CG2 C 13 16.9 . . 1 . . . . . . . . 5376 1
15 . 1 1 1 1 ILE CD1 C 13 13.3 . . 1 . . . . . . . . 5376 1
16 . 1 1 2 2 ARG HA H 1 4.32 . . 1 . . . . . . . . 5376 1
17 . 1 1 2 2 ARG HB2 H 1 1.86 . . 2 . . . . . . . . 5376 1
18 . 1 1 2 2 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 5376 1
19 . 1 1 2 2 ARG HG2 H 1 1.63 . . 1 . . . . . . . . 5376 1
20 . 1 1 2 2 ARG HG3 H 1 1.63 . . 1 . . . . . . . . 5376 1
21 . 1 1 2 2 ARG HD2 H 1 3.20 . . 1 . . . . . . . . 5376 1
22 . 1 1 2 2 ARG HD3 H 1 3.20 . . 1 . . . . . . . . 5376 1
23 . 1 1 2 2 ARG CA C 13 56.4 . . 1 . . . . . . . . 5376 1
24 . 1 1 2 2 ARG CB C 13 30.4 . . 1 . . . . . . . . 5376 1
25 . 1 1 2 2 ARG CG C 13 27.2 . . 1 . . . . . . . . 5376 1
26 . 1 1 2 2 ARG CD C 13 43.3 . . 1 . . . . . . . . 5376 1
27 . 1 1 3 3 GLU H H 1 8.76 . . 1 . . . . . . . . 5376 1
28 . 1 1 3 3 GLU HA H 1 4.23 . . 1 . . . . . . . . 5376 1
29 . 1 1 3 3 GLU HB2 H 1 2.00 . . 2 . . . . . . . . 5376 1
30 . 1 1 3 3 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 5376 1
31 . 1 1 3 3 GLU HG2 H 1 2.26 . . 1 . . . . . . . . 5376 1
32 . 1 1 3 3 GLU HG3 H 1 2.26 . . 1 . . . . . . . . 5376 1
33 . 1 1 3 3 GLU CA C 13 56.9 . . 1 . . . . . . . . 5376 1
34 . 1 1 3 3 GLU CB C 13 30.4 . . 1 . . . . . . . . 5376 1
35 . 1 1 3 3 GLU CG C 13 36.3 . . 1 . . . . . . . . 5376 1
36 . 1 1 3 3 GLU N N 15 123.4 . . 1 . . . . . . . . 5376 1
37 . 1 1 4 4 ASN H H 1 8.65 . . 1 . . . . . . . . 5376 1
38 . 1 1 4 4 ASN HA H 1 4.67 . . 1 . . . . . . . . 5376 1
39 . 1 1 4 4 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 5376 1
40 . 1 1 4 4 ASN HB3 H 1 2.75 . . 2 . . . . . . . . 5376 1
41 . 1 1 4 4 ASN HD21 H 1 7.68 . . 2 . . . . . . . . 5376 1
42 . 1 1 4 4 ASN HD22 H 1 6.97 . . 2 . . . . . . . . 5376 1
43 . 1 1 4 4 ASN CA C 13 53.1 . . 1 . . . . . . . . 5376 1
44 . 1 1 4 4 ASN CB C 13 38.6 . . 1 . . . . . . . . 5376 1
45 . 1 1 4 4 ASN N N 15 119.7 . . 1 . . . . . . . . 5376 1
46 . 1 1 4 4 ASN ND2 N 15 113.2 . . 1 . . . . . . . . 5376 1
47 . 1 1 5 5 LEU H H 1 8.35 . . 1 . . . . . . . . 5376 1
48 . 1 1 5 5 LEU HA H 1 4.31 . . 1 . . . . . . . . 5376 1
49 . 1 1 5 5 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 5376 1
50 . 1 1 5 5 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 5376 1
51 . 1 1 5 5 LEU HG H 1 1.60 . . 1 . . . . . . . . 5376 1
52 . 1 1 5 5 LEU HD11 H 1 0.92 . . 1 . . . . . . . . 5376 1
53 . 1 1 5 5 LEU HD12 H 1 0.92 . . 1 . . . . . . . . 5376 1
54 . 1 1 5 5 LEU HD13 H 1 0.92 . . 1 . . . . . . . . 5376 1
55 . 1 1 5 5 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 5376 1
56 . 1 1 5 5 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 5376 1
57 . 1 1 5 5 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 5376 1
58 . 1 1 5 5 LEU CA C 13 55.4 . . 1 . . . . . . . . 5376 1
59 . 1 1 5 5 LEU CB C 13 42.2 . . 1 . . . . . . . . 5376 1
60 . 1 1 5 5 LEU CG C 13 27.0 . . 1 . . . . . . . . 5376 1
61 . 1 1 5 5 LEU CD1 C 13 25.0 . . 1 . . . . . . . . 5376 1
62 . 1 1 5 5 LEU CD2 C 13 23.2 . . 1 . . . . . . . . 5376 1
63 . 1 1 5 5 LEU N N 15 122.9 . . 1 . . . . . . . . 5376 1
64 . 1 1 6 6 LYS H H 1 8.36 . . 1 . . . . . . . . 5376 1
65 . 1 1 6 6 LYS HA H 1 4.27 . . 1 . . . . . . . . 5376 1
66 . 1 1 6 6 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 5376 1
67 . 1 1 6 6 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 5376 1
68 . 1 1 6 6 LYS HG2 H 1 1.43 . . 2 . . . . . . . . 5376 1
69 . 1 1 6 6 LYS HG3 H 1 1.39 . . 2 . . . . . . . . 5376 1
70 . 1 1 6 6 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 5376 1
71 . 1 1 6 6 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 5376 1
72 . 1 1 6 6 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 5376 1
73 . 1 1 6 6 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 5376 1
74 . 1 1 6 6 LYS CA C 13 56.7 . . 1 . . . . . . . . 5376 1
75 . 1 1 6 6 LYS CB C 13 32.9 . . 1 . . . . . . . . 5376 1
76 . 1 1 6 6 LYS CG C 13 24.7 . . 1 . . . . . . . . 5376 1
77 . 1 1 6 6 LYS CD C 13 29.1 . . 1 . . . . . . . . 5376 1
78 . 1 1 6 6 LYS CE C 13 42.1 . . 1 . . . . . . . . 5376 1
79 . 1 1 6 6 LYS N N 15 121.8 . . 1 . . . . . . . . 5376 1
80 . 1 1 7 7 ASP H H 1 8.36 . . 1 . . . . . . . . 5376 1
81 . 1 1 7 7 ASP HA H 1 4.61 . . 1 . . . . . . . . 5376 1
82 . 1 1 7 7 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 5376 1
83 . 1 1 7 7 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 5376 1
84 . 1 1 7 7 ASP CA C 13 54.5 . . 1 . . . . . . . . 5376 1
85 . 1 1 7 7 ASP CB C 13 41.1 . . 1 . . . . . . . . 5376 1
86 . 1 1 7 7 ASP N N 15 121.4 . . 1 . . . . . . . . 5376 1
87 . 1 1 8 8 SER H H 1 8.31 . . 1 . . . . . . . . 5376 1
88 . 1 1 8 8 SER HA H 1 4.37 . . 1 . . . . . . . . 5376 1
89 . 1 1 8 8 SER HB2 H 1 3.93 . . 2 . . . . . . . . 5376 1
90 . 1 1 8 8 SER HB3 H 1 3.89 . . 2 . . . . . . . . 5376 1
91 . 1 1 8 8 SER CA C 13 58.9 . . 1 . . . . . . . . 5376 1
92 . 1 1 8 8 SER CB C 13 63.8 . . 1 . . . . . . . . 5376 1
93 . 1 1 8 8 SER N N 15 116.3 . . 1 . . . . . . . . 5376 1
94 . 1 1 9 9 GLY H H 1 8.53 . . 1 . . . . . . . . 5376 1
95 . 1 1 9 9 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 5376 1
96 . 1 1 9 9 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 5376 1
97 . 1 1 9 9 GLY CA C 13 45.4 . . 1 . . . . . . . . 5376 1
98 . 1 1 9 9 GLY N N 15 110.8 . . 1 . . . . . . . . 5376 1
99 . 1 1 10 10 LEU H H 1 7.94 . . 1 . . . . . . . . 5376 1
100 . 1 1 10 10 LEU HA H 1 4.30 . . 1 . . . . . . . . 5376 1
101 . 1 1 10 10 LEU HB2 H 1 1.50 . . 2 . . . . . . . . 5376 1
102 . 1 1 10 10 LEU HB3 H 1 1.44 . . 2 . . . . . . . . 5376 1
103 . 1 1 10 10 LEU HG H 1 1.50 . . 1 . . . . . . . . 5376 1
104 . 1 1 10 10 LEU HD11 H 1 0.88 . . 1 . . . . . . . . 5376 1
105 . 1 1 10 10 LEU HD12 H 1 0.88 . . 1 . . . . . . . . 5376 1
106 . 1 1 10 10 LEU HD13 H 1 0.88 . . 1 . . . . . . . . 5376 1
107 . 1 1 10 10 LEU HD21 H 1 0.81 . . 1 . . . . . . . . 5376 1
108 . 1 1 10 10 LEU HD22 H 1 0.81 . . 1 . . . . . . . . 5376 1
109 . 1 1 10 10 LEU HD23 H 1 0.81 . . 1 . . . . . . . . 5376 1
110 . 1 1 10 10 LEU CA C 13 55.0 . . 1 . . . . . . . . 5376 1
111 . 1 1 10 10 LEU CB C 13 42.4 . . 1 . . . . . . . . 5376 1
112 . 1 1 10 10 LEU CG C 13 26.8 . . 1 . . . . . . . . 5376 1
113 . 1 1 10 10 LEU CD1 C 13 25.0 . . 1 . . . . . . . . 5376 1
114 . 1 1 10 10 LEU CD2 C 13 23.1 . . 1 . . . . . . . . 5376 1
115 . 1 1 10 10 LEU N N 15 121.4 . . 1 . . . . . . . . 5376 1
116 . 1 1 11 11 PHE H H 1 7.71 . . 1 . . . . . . . . 5376 1
117 . 1 1 11 11 PHE HA H 1 4.43 . . 1 . . . . . . . . 5376 1
118 . 1 1 11 11 PHE HB2 H 1 3.17 . . 2 . . . . . . . . 5376 1
119 . 1 1 11 11 PHE HB3 H 1 2.94 . . 2 . . . . . . . . 5376 1
120 . 1 1 11 11 PHE HD1 H 1 7.22 . . 1 . . . . . . . . 5376 1
121 . 1 1 11 11 PHE HD2 H 1 7.22 . . 1 . . . . . . . . 5376 1
122 . 1 1 11 11 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 5376 1
123 . 1 1 11 11 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 5376 1
124 . 1 1 11 11 PHE HZ H 1 7.27 . . 1 . . . . . . . . 5376 1
125 . 1 1 11 11 PHE CA C 13 58.9 . . 1 . . . . . . . . 5376 1
126 . 1 1 11 11 PHE CB C 13 40.4 . . 1 . . . . . . . . 5376 1
127 . 1 1 11 11 PHE N N 15 124.9 . . 1 . . . . . . . . 5376 1
stop_
save_