Content for NMR-STAR saveframe, "chemical_shift_set_2"
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 5532
_Assigned_chem_shift_list.ID 2
_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_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 $sample_1 . 5532 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 PRO C C 13 156.212 0.000 . 1 . . . . . . . . 5532 2
2 . 2 2 1 1 PRO CA C 13 61.910 0.037 . 1 . . . . . . . . 5532 2
3 . 2 2 1 1 PRO CB C 13 32.527 0.061 . 1 . . . . . . . . 5532 2
4 . 2 2 1 1 PRO CD C 13 49.220 0.064 . 1 . . . . . . . . 5532 2
5 . 2 2 1 1 PRO CG C 13 26.093 0.056 . 1 . . . . . . . . 5532 2
6 . 2 2 1 1 PRO HA H 1 4.297 0.030 . 1 . . . . . . . . 5532 2
7 . 2 2 1 1 PRO HB2 H 1 1.808 0.025 . 1 . . . . . . . . 5532 2
8 . 2 2 1 1 PRO HB3 H 1 2.259 0.019 . 1 . . . . . . . . 5532 2
9 . 2 2 1 1 PRO HG2 H 1 1.658 0.008 . 1 . . . . . . . . 5532 2
10 . 2 2 1 1 PRO HG3 H 1 1.852 0.006 . 1 . . . . . . . . 5532 2
11 . 2 2 1 1 PRO HD2 H 1 3.158 0.017 . 1 . . . . . . . . 5532 2
12 . 2 2 2 2 GLU CA C 13 54.173 0.060 . 1 . . . . . . . . 5532 2
13 . 2 2 2 2 GLU CB C 13 29.436 0.057 . 1 . . . . . . . . 5532 2
14 . 2 2 2 2 GLU CG C 13 35.480 0.071 . 1 . . . . . . . . 5532 2
15 . 2 2 2 2 GLU HA H 1 4.569 0.027 . 1 . . . . . . . . 5532 2
16 . 2 2 2 2 GLU HB2 H 1 1.812 0.008 . 1 . . . . . . . . 5532 2
17 . 2 2 2 2 GLU HB3 H 1 1.961 0.010 . 1 . . . . . . . . 5532 2
18 . 2 2 2 2 GLU H H 1 8.598 0.009 . 1 . . . . . . . . 5532 2
19 . 2 2 2 2 GLU N N 15 121.096 0.000 . 1 . . . . . . . . 5532 2
20 . 2 2 2 2 GLU HG2 H 1 2.262 0.017 . 1 . . . . . . . . 5532 2
21 . 2 2 3 3 PRO C C 13 150.585 0.000 . 1 . . . . . . . . 5532 2
22 . 2 2 3 3 PRO CB C 13 32.008 0.086 . 1 . . . . . . . . 5532 2
23 . 2 2 3 3 PRO CD C 13 50.420 0.092 . 1 . . . . . . . . 5532 2
24 . 2 2 3 3 PRO CG C 13 27.621 0.061 . 1 . . . . . . . . 5532 2
25 . 2 2 3 3 PRO HA H 1 4.336 0.072 . 1 . . . . . . . . 5532 2
26 . 2 2 3 3 PRO HB2 H 1 1.789 0.084 . 1 . . . . . . . . 5532 2
27 . 2 2 3 3 PRO HB3 H 1 1.900 0.082 . 1 . . . . . . . . 5532 2
28 . 2 2 3 3 PRO HD2 H 1 3.574 0.008 . 1 . . . . . . . . 5532 2
29 . 2 2 3 3 PRO HD3 H 1 3.852 0.011 . 1 . . . . . . . . 5532 2
30 . 2 2 3 3 PRO HG2 H 1 1.733 0.011 . 1 . . . . . . . . 5532 2
31 . 2 2 3 3 PRO HG3 H 1 2.030 0.015 . 1 . . . . . . . . 5532 2
32 . 2 2 4 4 THR C C 13 178.588 0.000 . 1 . . . . . . . . 5532 2
33 . 2 2 4 4 THR CA C 13 59.275 0.080 . 1 . . . . . . . . 5532 2
34 . 2 2 4 4 THR CB C 13 73.891 0.083 . 1 . . . . . . . . 5532 2
35 . 2 2 4 4 THR CG2 C 13 23.345 0.033 . 1 . . . . . . . . 5532 2
36 . 2 2 4 4 THR HA H 1 4.547 0.007 . 1 . . . . . . . . 5532 2
37 . 2 2 4 4 THR HB H 1 4.442 0.026 . 1 . . . . . . . . 5532 2
38 . 2 2 4 4 THR HG1 H 1 6.124 0.014 . 1 . . . . . . . . 5532 2
39 . 2 2 4 4 THR H H 1 7.952 0.008 . 1 . . . . . . . . 5532 2
40 . 2 2 4 4 THR N N 15 117.195 0.000 . 1 . . . . . . . . 5532 2
41 . 2 2 4 4 THR HG21 H 1 1.226 0.017 . 1 . . . . . . . . 5532 2
42 . 2 2 4 4 THR HG22 H 1 1.226 0.017 . 1 . . . . . . . . 5532 2
43 . 2 2 4 4 THR HG23 H 1 1.226 0.017 . 1 . . . . . . . . 5532 2
44 . 2 2 5 5 ALA CA C 13 49.036 0.043 . 1 . . . . . . . . 5532 2
45 . 2 2 5 5 ALA CB C 13 20.016 0.036 . 1 . . . . . . . . 5532 2
46 . 2 2 5 5 ALA HA H 1 4.254 0.020 . 1 . . . . . . . . 5532 2
47 . 2 2 5 5 ALA H H 1 8.994 0.013 . 1 . . . . . . . . 5532 2
48 . 2 2 5 5 ALA N N 15 115.284 0.000 . 1 . . . . . . . . 5532 2
49 . 2 2 5 5 ALA HB1 H 1 0.943 0.012 . 1 . . . . . . . . 5532 2
50 . 2 2 5 5 ALA HB2 H 1 0.943 0.012 . 1 . . . . . . . . 5532 2
51 . 2 2 5 5 ALA HB3 H 1 0.943 0.012 . 1 . . . . . . . . 5532 2
52 . 2 2 6 6 PRO CA C 13 60.268 0.047 . 1 . . . . . . . . 5532 2
53 . 2 2 6 6 PRO CB C 13 29.905 0.058 . 1 . . . . . . . . 5532 2
54 . 2 2 6 6 PRO CD C 13 48.571 0.042 . 1 . . . . . . . . 5532 2
55 . 2 2 6 6 PRO CG C 13 26.200 0.056 . 1 . . . . . . . . 5532 2
56 . 2 2 6 6 PRO HA H 1 4.054 0.008 . 1 . . . . . . . . 5532 2
57 . 2 2 6 6 PRO HB2 H 1 1.729 0.010 . 1 . . . . . . . . 5532 2
58 . 2 2 6 6 PRO HB3 H 1 1.939 0.009 . 1 . . . . . . . . 5532 2
59 . 2 2 6 6 PRO HD2 H 1 2.095 0.012 . 1 . . . . . . . . 5532 2
60 . 2 2 6 6 PRO HD3 H 1 3.243 0.017 . 1 . . . . . . . . 5532 2
61 . 2 2 6 6 PRO HG2 H 1 0.648 0.012 . 1 . . . . . . . . 5532 2
62 . 2 2 6 6 PRO HG3 H 1 1.090 0.011 . 1 . . . . . . . . 5532 2
63 . 2 2 7 7 PRO C C 13 181.355 0.000 . 1 . . . . . . . . 5532 2
64 . 2 2 7 7 PRO CA C 13 62.439 0.000 . 1 . . . . . . . . 5532 2
65 . 2 2 7 7 PRO CB C 13 31.821 0.062 . 1 . . . . . . . . 5532 2
66 . 2 2 7 7 PRO CD C 13 50.159 0.050 . 1 . . . . . . . . 5532 2
67 . 2 2 7 7 PRO CG C 13 27.235 0.067 . 1 . . . . . . . . 5532 2
68 . 2 2 7 7 PRO HA H 1 4.703 0.012 . 1 . . . . . . . . 5532 2
69 . 2 2 7 7 PRO HB2 H 1 1.971 0.009 . 1 . . . . . . . . 5532 2
70 . 2 2 7 7 PRO HB3 H 1 2.267 0.005 . 1 . . . . . . . . 5532 2
71 . 2 2 7 7 PRO HD2 H 1 3.705 0.014 . 1 . . . . . . . . 5532 2
72 . 2 2 7 7 PRO HD3 H 1 3.869 0.015 . 1 . . . . . . . . 5532 2
73 . 2 2 7 7 PRO HG2 H 1 2.132 0.005 . 1 . . . . . . . . 5532 2
74 . 2 2 8 8 GLU C C 13 173.168 0.000 . 1 . . . . . . . . 5532 2
75 . 2 2 8 8 GLU CA C 13 57.487 0.054 . 1 . . . . . . . . 5532 2
76 . 2 2 8 8 GLU CB C 13 30.202 0.094 . 1 . . . . . . . . 5532 2
77 . 2 2 8 8 GLU CG C 13 35.961 0.125 . 1 . . . . . . . . 5532 2
78 . 2 2 8 8 GLU HA H 1 3.648 0.012 . 1 . . . . . . . . 5532 2
79 . 2 2 8 8 GLU HB2 H 1 1.713 0.009 . 1 . . . . . . . . 5532 2
80 . 2 2 8 8 GLU HB3 H 1 1.820 0.044 . 1 . . . . . . . . 5532 2
81 . 2 2 8 8 GLU H H 1 8.313 0.019 . 1 . . . . . . . . 5532 2
82 . 2 2 8 8 GLU N N 15 120.877 0.000 . 1 . . . . . . . . 5532 2
83 . 2 2 8 8 GLU HG2 H 1 1.991 0.065 . 1 . . . . . . . . 5532 2
84 . 2 2 9 9 GLU CA C 13 57.293 0.031 . 1 . . . . . . . . 5532 2
85 . 2 2 9 9 GLU CB C 13 31.310 0.080 . 1 . . . . . . . . 5532 2
86 . 2 2 9 9 GLU CG C 13 36.410 0.041 . 1 . . . . . . . . 5532 2
87 . 2 2 9 9 GLU HA H 1 4.083 0.029 . 1 . . . . . . . . 5532 2
88 . 2 2 9 9 GLU HB2 H 1 1.707 0.009 . 1 . . . . . . . . 5532 2
89 . 2 2 9 9 GLU HB3 H 1 1.986 0.010 . 1 . . . . . . . . 5532 2
90 . 2 2 9 9 GLU H H 1 7.628 0.014 . 1 . . . . . . . . 5532 2
91 . 2 2 9 9 GLU N N 15 128.572 0.000 . 1 . . . . . . . . 5532 2
92 . 2 2 9 9 GLU HG2 H 1 2.225 0.019 . 1 . . . . . . . . 5532 2
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