Content for NMR-STAR saveframe, "shift_set_2"
save_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_2
_Assigned_chem_shift_list.Entry_ID 5388
_Assigned_chem_shift_list.ID 2
_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
. . 2 $sample_2 . 5388 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 . 2 2 1 1 ALA HA H 1 3.010 0.02 . 1 . . . . . . . . 5388 2
2 . 2 2 1 1 ALA CB C 13 17.400 0.5 . 1 . . . . . . . . 5388 2
3 . 2 2 1 1 ALA HB1 H 1 0.920 0.02 . 1 . . . . . . . . 5388 2
4 . 2 2 1 1 ALA HB2 H 1 0.920 0.02 . 1 . . . . . . . . 5388 2
5 . 2 2 1 1 ALA HB3 H 1 0.920 0.02 . 1 . . . . . . . . 5388 2
6 . 2 2 2 2 PRO CA C 13 62.100 0.5 . 1 . . . . . . . . 5388 2
7 . 2 2 2 2 PRO HA H 1 4.220 0.02 . 1 . . . . . . . . 5388 2
8 . 2 2 2 2 PRO CB C 13 31.400 0.5 . 1 . . . . . . . . 5388 2
9 . 2 2 2 2 PRO HB3 H 1 1.580 0.02 . 2 . . . . . . . . 5388 2
10 . 2 2 2 2 PRO HB2 H 1 2.180 0.02 . 2 . . . . . . . . 5388 2
11 . 2 2 2 2 PRO CG C 13 26.400 0.5 . 1 . . . . . . . . 5388 2
12 . 2 2 2 2 PRO HG3 H 1 1.470 0.02 . 2 . . . . . . . . 5388 2
13 . 2 2 2 2 PRO HG2 H 1 1.360 0.02 . 2 . . . . . . . . 5388 2
14 . 2 2 2 2 PRO CD C 13 49.500 0.5 . 1 . . . . . . . . 5388 2
15 . 2 2 2 2 PRO HD3 H 1 1.780 0.02 . 2 . . . . . . . . 5388 2
16 . 2 2 2 2 PRO HD2 H 1 2.060 0.02 . 2 . . . . . . . . 5388 2
17 . 2 2 2 2 PRO C C 13 176.300 0.5 . 1 . . . . . . . . 5388 2
18 . 2 2 3 3 SER N N 15 118.900 0.4 . 1 . . . . . . . . 5388 2
19 . 2 2 3 3 SER H H 1 8.630 0.02 . 1 . . . . . . . . 5388 2
20 . 2 2 3 3 SER CA C 13 58.900 0.5 . 1 . . . . . . . . 5388 2
21 . 2 2 3 3 SER HA H 1 4.170 0.02 . 1 . . . . . . . . 5388 2
22 . 2 2 3 3 SER CB C 13 63.000 0.5 . 1 . . . . . . . . 5388 2
23 . 2 2 3 3 SER HB3 H 1 3.730 0.02 . 1 . . . . . . . . 5388 2
24 . 2 2 3 3 SER HB2 H 1 3.730 0.02 . 1 . . . . . . . . 5388 2
25 . 2 2 3 3 SER C C 13 173.800 0.5 . 1 . . . . . . . . 5388 2
26 . 2 2 4 4 ILE N N 15 124.100 0.4 . 1 . . . . . . . . 5388 2
27 . 2 2 4 4 ILE H H 1 8.640 0.02 . 1 . . . . . . . . 5388 2
28 . 2 2 4 4 ILE CA C 13 60.800 0.5 . 1 . . . . . . . . 5388 2
29 . 2 2 4 4 ILE HA H 1 3.890 0.02 . 1 . . . . . . . . 5388 2
30 . 2 2 4 4 ILE CB C 13 40.200 0.5 . 1 . . . . . . . . 5388 2
31 . 2 2 4 4 ILE HB H 1 1.620 0.02 . 1 . . . . . . . . 5388 2
32 . 2 2 4 4 ILE CG1 C 13 27.100 0.5 . 1 . . . . . . . . 5388 2
33 . 2 2 4 4 ILE HG13 H 1 0.520 0.02 . 2 . . . . . . . . 5388 2
34 . 2 2 4 4 ILE HG12 H 1 1.640 0.02 . 2 . . . . . . . . 5388 2
35 . 2 2 4 4 ILE CD1 C 13 13.900 0.5 . 1 . . . . . . . . 5388 2
36 . 2 2 4 4 ILE HD11 H 1 0.820 0.02 . 1 . . . . . . . . 5388 2
37 . 2 2 4 4 ILE HD12 H 1 0.820 0.02 . 1 . . . . . . . . 5388 2
38 . 2 2 4 4 ILE HD13 H 1 0.820 0.02 . 1 . . . . . . . . 5388 2
39 . 2 2 4 4 ILE CG2 C 13 18.600 0.5 . 1 . . . . . . . . 5388 2
40 . 2 2 4 4 ILE HG21 H 1 0.840 0.02 . 1 . . . . . . . . 5388 2
41 . 2 2 4 4 ILE HG22 H 1 0.840 0.02 . 1 . . . . . . . . 5388 2
42 . 2 2 4 4 ILE HG23 H 1 0.840 0.02 . 1 . . . . . . . . 5388 2
43 . 2 2 4 4 ILE C C 13 174.800 0.5 . 1 . . . . . . . . 5388 2
44 . 2 2 5 5 ASP N N 15 127.600 0.4 . 1 . . . . . . . . 5388 2
45 . 2 2 5 5 ASP H H 1 8.990 0.02 . 1 . . . . . . . . 5388 2
46 . 2 2 5 5 ASP CA C 13 51.800 0.5 . 1 . . . . . . . . 5388 2
47 . 2 2 5 5 ASP HA H 1 4.940 0.02 . 1 . . . . . . . . 5388 2
48 . 2 2 5 5 ASP CB C 13 40.800 0.5 . 1 . . . . . . . . 5388 2
49 . 2 2 5 5 ASP HB3 H 1 3.010 0.02 . 2 . . . . . . . . 5388 2
50 . 2 2 5 5 ASP HB2 H 1 2.410 0.02 . 2 . . . . . . . . 5388 2
51 . 2 2 5 5 ASP C C 13 176.500 0.5 . 1 . . . . . . . . 5388 2
52 . 2 2 6 6 ARG N N 15 123.400 0.4 . 1 . . . . . . . . 5388 2
53 . 2 2 6 6 ARG H H 1 9.230 0.02 . 1 . . . . . . . . 5388 2
54 . 2 2 6 6 ARG CA C 13 58.300 0.5 . 1 . . . . . . . . 5388 2
55 . 2 2 6 6 ARG HA H 1 3.930 0.02 . 1 . . . . . . . . 5388 2
56 . 2 2 6 6 ARG CB C 13 28.900 0.5 . 1 . . . . . . . . 5388 2
57 . 2 2 6 6 ARG HB3 H 1 1.730 0.02 . 2 . . . . . . . . 5388 2
58 . 2 2 6 6 ARG HB2 H 1 1.540 0.02 . 2 . . . . . . . . 5388 2
59 . 2 2 6 6 ARG CG C 13 31.800 0.5 . 1 . . . . . . . . 5388 2
60 . 2 2 6 6 ARG HG3 H 1 2.020 0.02 . 2 . . . . . . . . 5388 2
61 . 2 2 6 6 ARG HG2 H 1 1.220 0.02 . 2 . . . . . . . . 5388 2
62 . 2 2 6 6 ARG CD C 13 41.800 0.5 . 1 . . . . . . . . 5388 2
63 . 2 2 6 6 ARG HD3 H 1 3.210 0.02 . 2 . . . . . . . . 5388 2
64 . 2 2 6 6 ARG HD2 H 1 2.830 0.02 . 2 . . . . . . . . 5388 2
65 . 2 2 6 6 ARG NE N 15 113.000 0.4 . 1 . . . . . . . . 5388 2
66 . 2 2 6 6 ARG HE H 1 10.560 0.02 . 1 . . . . . . . . 5388 2
67 . 2 2 6 6 ARG C C 13 177.400 0.5 . 1 . . . . . . . . 5388 2
68 . 2 2 7 7 SER N N 15 118.000 0.4 . 1 . . . . . . . . 5388 2
69 . 2 2 7 7 SER H H 1 8.820 0.02 . 1 . . . . . . . . 5388 2
70 . 2 2 7 7 SER CA C 13 61.100 0.5 . 1 . . . . . . . . 5388 2
71 . 2 2 7 7 SER HA H 1 4.150 0.02 . 1 . . . . . . . . 5388 2
72 . 2 2 7 7 SER CB C 13 62.400 0.5 . 1 . . . . . . . . 5388 2
73 . 2 2 7 7 SER HB3 H 1 3.870 0.02 . 1 . . . . . . . . 5388 2
74 . 2 2 7 7 SER HB2 H 1 3.870 0.02 . 1 . . . . . . . . 5388 2
75 . 2 2 7 7 SER C C 13 175.200 0.5 . 1 . . . . . . . . 5388 2
76 . 2 2 8 8 THR N N 15 109.000 0.4 . 1 . . . . . . . . 5388 2
77 . 2 2 8 8 THR H H 1 7.030 0.02 . 1 . . . . . . . . 5388 2
78 . 2 2 8 8 THR CA C 13 60.500 0.5 . 1 . . . . . . . . 5388 2
79 . 2 2 8 8 THR HA H 1 4.220 0.02 . 1 . . . . . . . . 5388 2
80 . 2 2 8 8 THR CB C 13 69.100 0.5 . 1 . . . . . . . . 5388 2
81 . 2 2 8 8 THR HB H 1 4.610 0.02 . 1 . . . . . . . . 5388 2
82 . 2 2 8 8 THR CG2 C 13 21.800 0.5 . 1 . . . . . . . . 5388 2
83 . 2 2 8 8 THR HG21 H 1 1.060 0.02 . 1 . . . . . . . . 5388 2
84 . 2 2 8 8 THR HG22 H 1 1.060 0.02 . 1 . . . . . . . . 5388 2
85 . 2 2 8 8 THR HG23 H 1 1.060 0.02 . 1 . . . . . . . . 5388 2
86 . 2 2 8 8 THR C C 13 174.700 0.5 . 1 . . . . . . . . 5388 2
87 . 2 2 9 9 LYS N N 15 122.700 0.4 . 1 . . . . . . . . 5388 2
88 . 2 2 9 9 LYS H H 1 6.560 0.02 . 1 . . . . . . . . 5388 2
89 . 2 2 9 9 LYS CA C 13 55.500 0.5 . 1 . . . . . . . . 5388 2
90 . 2 2 9 9 LYS HA H 1 3.290 0.02 . 1 . . . . . . . . 5388 2
91 . 2 2 9 9 LYS CB C 13 30.500 0.5 . 1 . . . . . . . . 5388 2
92 . 2 2 9 9 LYS HB3 H 1 1.110 0.02 . 2 . . . . . . . . 5388 2
93 . 2 2 9 9 LYS HB2 H 1 0.700 0.02 . 2 . . . . . . . . 5388 2
94 . 2 2 9 9 LYS CG C 13 24.600 0.5 . 1 . . . . . . . . 5388 2
95 . 2 2 9 9 LYS HG3 H 1 -0.120 0.02 . 2 . . . . . . . . 5388 2
96 . 2 2 9 9 LYS HG2 H 1 -0.820 0.02 . 2 . . . . . . . . 5388 2
97 . 2 2 9 9 LYS CD C 13 28.900 0.5 . 1 . . . . . . . . 5388 2
98 . 2 2 9 9 LYS HD3 H 1 0.590 0.02 . 2 . . . . . . . . 5388 2
99 . 2 2 9 9 LYS HD2 H 1 0.800 0.02 . 2 . . . . . . . . 5388 2
100 . 2 2 9 9 LYS CE C 13 40.200 0.5 . 1 . . . . . . . . 5388 2
101 . 2 2 9 9 LYS HE3 H 1 1.610 0.02 . 2 . . . . . . . . 5388 2
102 . 2 2 9 9 LYS HE2 H 1 2.140 0.02 . 2 . . . . . . . . 5388 2
103 . 2 2 10 10 PRO CA C 13 62.700 0.5 . 1 . . . . . . . . 5388 2
104 . 2 2 10 10 PRO HA H 1 4.180 0.02 . 1 . . . . . . . . 5388 2
105 . 2 2 10 10 PRO CB C 13 31.400 0.5 . 1 . . . . . . . . 5388 2
106 . 2 2 10 10 PRO HB3 H 1 1.830 0.02 . 2 . . . . . . . . 5388 2
107 . 2 2 10 10 PRO HB2 H 1 2.060 0.02 . 2 . . . . . . . . 5388 2
108 . 2 2 10 10 PRO CG C 13 27.100 0.5 . 1 . . . . . . . . 5388 2
109 . 2 2 10 10 PRO HG3 H 1 1.830 0.02 . 2 . . . . . . . . 5388 2
110 . 2 2 10 10 PRO HG2 H 1 1.910 0.02 . 2 . . . . . . . . 5388 2
111 . 2 2 10 10 PRO CD C 13 50.500 0.5 . 1 . . . . . . . . 5388 2
112 . 2 2 10 10 PRO HD3 H 1 3.110 0.02 . 2 . . . . . . . . 5388 2
113 . 2 2 10 10 PRO HD2 H 1 3.500 0.02 . 2 . . . . . . . . 5388 2
114 . 2 2 10 10 PRO C C 13 174.900 0.5 . 1 . . . . . . . . 5388 2
115 . 2 2 11 11 ALA N N 15 130.600 0.4 . 1 . . . . . . . . 5388 2
116 . 2 2 11 11 ALA H H 1 7.830 0.02 . 1 . . . . . . . . 5388 2
117 . 2 2 11 11 ALA CA C 13 53.000 0.5 . 1 . . . . . . . . 5388 2
118 . 2 2 11 11 ALA HA H 1 3.940 0.02 . 1 . . . . . . . . 5388 2
119 . 2 2 11 11 ALA CB C 13 20.200 0.5 . 1 . . . . . . . . 5388 2
120 . 2 2 11 11 ALA HB1 H 1 1.120 0.02 . 1 . . . . . . . . 5388 2
121 . 2 2 11 11 ALA HB2 H 1 1.120 0.02 . 1 . . . . . . . . 5388 2
122 . 2 2 11 11 ALA HB3 H 1 1.120 0.02 . 1 . . . . . . . . 5388 2
stop_
save_