Content for NMR-STAR saveframe, "assign_set_2"
save_assign_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assign_set_2
_Assigned_chem_shift_list.Entry_ID 5014
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $standard_conditions
_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 'Chemical shifts of conformers.'
_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 . 5014 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 . 1 1 59 59 PRO CA C 13 63.206 0.050 . 1 . . . . . . . . 5014 2
2 . 1 1 59 59 PRO CB C 13 32.194 0.050 . 1 . . . . . . . . 5014 2
3 . 1 1 60 60 ASP N N 15 119.510 0.050 . 1 . . . . . . . . 5014 2
4 . 1 1 60 60 ASP H H 1 8.177 0.005 . 1 . . . . . . . . 5014 2
5 . 1 1 60 60 ASP CA C 13 54.077 0.050 . 1 . . . . . . . . 5014 2
6 . 1 1 60 60 ASP HA H 1 4.248 0.005 . 1 . . . . . . . . 5014 2
7 . 1 1 60 60 ASP CB C 13 41.036 0.050 . 1 . . . . . . . . 5014 2
8 . 1 1 60 60 ASP HB2 H 1 2.719 0.005 . 1 . . . . . . . . 5014 2
9 . 1 1 61 61 ALA N N 15 124.659 0.050 . 1 . . . . . . . . 5014 2
10 . 1 1 61 61 ALA CA C 13 50.370 0.050 . 1 . . . . . . . . 5014 2
11 . 1 1 61 61 ALA HA H 1 4.419 0.005 . 1 . . . . . . . . 5014 2
12 . 1 1 61 61 ALA CB C 13 18.855 0.050 . 1 . . . . . . . . 5014 2
13 . 1 1 61 61 ALA HB1 H 1 1.164 0.005 . 1 . . . . . . . . 5014 2
14 . 1 1 61 61 ALA HB2 H 1 1.164 0.005 . 1 . . . . . . . . 5014 2
15 . 1 1 61 61 ALA HB3 H 1 1.164 0.005 . 1 . . . . . . . . 5014 2
16 . 1 1 62 62 PRO CA C 13 63.260 0.050 . 1 . . . . . . . . 5014 2
17 . 1 1 62 62 PRO CB C 13 32.405 0.050 . 1 . . . . . . . . 5014 2
18 . 1 1 63 63 GLU N N 15 120.893 0.050 . 1 . . . . . . . . 5014 2
19 . 1 1 63 63 GLU H H 1 8.182 0.005 . 1 . . . . . . . . 5014 2
20 . 1 1 63 63 GLU CA C 13 56.658 0.050 . 1 . . . . . . . . 5014 2
21 . 1 1 63 63 GLU HA H 1 4.394 0.005 . 1 . . . . . . . . 5014 2
22 . 1 1 63 63 GLU CB C 13 30.615 0.050 . 1 . . . . . . . . 5014 2
23 . 1 1 63 63 GLU HB2 H 1 1.733 0.005 . 1 . . . . . . . . 5014 2
24 . 1 1 64 64 ASP N N 15 120.927 0.050 . 1 . . . . . . . . 5014 2
25 . 1 1 64 64 ASP H H 1 8.308 0.005 . 1 . . . . . . . . 5014 2
26 . 1 1 64 64 ASP CA C 13 54.537 0.050 . 1 . . . . . . . . 5014 2
27 . 1 1 64 64 ASP HA H 1 4.385 0.005 . 1 . . . . . . . . 5014 2
28 . 1 1 64 64 ASP CB C 13 41.093 0.050 . 1 . . . . . . . . 5014 2
29 . 1 1 64 64 ASP HB2 H 1 2.464 0.005 . 1 . . . . . . . . 5014 2
30 . 1 1 100 100 GLY N N 15 110.904 0.050 . 1 . . . . . . . . 5014 2
31 . 1 1 100 100 GLY H H 1 8.475 0.005 . 1 . . . . . . . . 5014 2
32 . 1 1 100 100 GLY CA C 13 45.364 0.050 . 1 . . . . . . . . 5014 2
33 . 1 1 100 100 GLY HA2 H 1 3.761 0.005 . 1 . . . . . . . . 5014 2
34 . 1 1 101 101 ALA N N 15 123.757 0.050 . 1 . . . . . . . . 5014 2
35 . 1 1 101 101 ALA H H 1 7.920 0.005 . 1 . . . . . . . . 5014 2
36 . 1 1 101 101 ALA CA C 13 52.418 0.050 . 1 . . . . . . . . 5014 2
37 . 1 1 101 101 ALA HA H 1 4.147 0.005 . 1 . . . . . . . . 5014 2
38 . 1 1 101 101 ALA CB C 13 19.730 0.050 . 1 . . . . . . . . 5014 2
39 . 1 1 101 101 ALA HB1 H 1 1.183 0.005 . 1 . . . . . . . . 5014 2
40 . 1 1 101 101 ALA HB2 H 1 1.183 0.005 . 1 . . . . . . . . 5014 2
41 . 1 1 101 101 ALA HB3 H 1 1.183 0.005 . 1 . . . . . . . . 5014 2
42 . 1 1 102 102 GLU N N 15 120.381 0.050 . 1 . . . . . . . . 5014 2
43 . 1 1 102 102 GLU H H 1 8.388 0.005 . 1 . . . . . . . . 5014 2
44 . 1 1 102 102 GLU CA C 13 56.710 0.050 . 1 . . . . . . . . 5014 2
45 . 1 1 102 102 GLU HA H 1 4.067 0.005 . 1 . . . . . . . . 5014 2
46 . 1 1 102 102 GLU CB C 13 30.255 0.050 . 1 . . . . . . . . 5014 2
47 . 1 1 102 102 GLU HB2 H 1 1.746 0.005 . 1 . . . . . . . . 5014 2
48 . 1 1 102 102 GLU HG2 H 1 2.080 0.005 . 1 . . . . . . . . 5014 2
49 . 1 1 103 103 LYS N N 15 122.528 0.050 . 1 . . . . . . . . 5014 2
50 . 1 1 103 103 LYS H H 1 8.159 0.005 . 1 . . . . . . . . 5014 2
51 . 1 1 103 103 LYS CA C 13 56.078 0.050 . 1 . . . . . . . . 5014 2
52 . 1 1 103 103 LYS HA H 1 4.120 0.005 . 1 . . . . . . . . 5014 2
53 . 1 1 103 103 LYS CB C 13 33.397 0.050 . 1 . . . . . . . . 5014 2
54 . 1 1 103 103 LYS HB2 H 1 1.597 0.005 . 1 . . . . . . . . 5014 2
55 . 1 1 104 104 GLU N N 15 118.412 0.050 . 1 . . . . . . . . 5014 2
56 . 1 1 104 104 GLU H H 1 8.301 0.005 . 1 . . . . . . . . 5014 2
57 . 1 1 104 104 GLU CA C 13 56.942 0.050 . 1 . . . . . . . . 5014 2
58 . 1 1 104 104 GLU HA H 1 4.086 0.005 . 1 . . . . . . . . 5014 2
59 . 1 1 104 104 GLU CB C 13 30.450 0.050 . 1 . . . . . . . . 5014 2
60 . 1 1 104 104 GLU HB2 H 1 1.597 0.005 . 1 . . . . . . . . 5014 2
61 . 1 1 105 105 ASP N N 15 122.073 0.050 . 1 . . . . . . . . 5014 2
62 . 1 1 105 105 ASP H H 1 8.204 0.005 . 1 . . . . . . . . 5014 2
63 . 1 1 105 105 ASP CA C 13 54.164 0.050 . 1 . . . . . . . . 5014 2
64 . 1 1 105 105 ASP HA H 1 4.555 0.005 . 1 . . . . . . . . 5014 2
65 . 1 1 105 105 ASP CB C 13 41.464 0.050 . 1 . . . . . . . . 5014 2
66 . 1 1 105 105 ASP HB2 H 1 2.515 0.005 . 1 . . . . . . . . 5014 2
67 . 1 1 106 106 GLU N N 15 120.466 0.050 . 1 . . . . . . . . 5014 2
68 . 1 1 106 106 GLU H H 1 8.035 0.005 . 1 . . . . . . . . 5014 2
69 . 1 1 106 106 GLU CA C 13 56.940 0.050 . 1 . . . . . . . . 5014 2
70 . 1 1 106 106 GLU HA H 1 4.000 0.005 . 1 . . . . . . . . 5014 2
71 . 1 1 106 106 GLU C C 13 177.420 0.050 . 1 . . . . . . . . 5014 2
72 . 1 1 106 106 GLU CB C 13 30.378 0.050 . 1 . . . . . . . . 5014 2
73 . 1 1 106 106 GLU HB2 H 1 1.652 0.005 . 1 . . . . . . . . 5014 2
74 . 1 1 106 106 GLU HG2 H 1 1.922 0.005 . 1 . . . . . . . . 5014 2
75 . 1 1 107 107 GLY N N 15 109.797 0.050 . 1 . . . . . . . . 5014 2
76 . 1 1 107 107 GLY H H 1 8.333 0.005 . 1 . . . . . . . . 5014 2
77 . 1 1 107 107 GLY CA C 13 45.497 0.050 . 1 . . . . . . . . 5014 2
78 . 1 1 107 107 GLY C C 13 174.288 0.050 . 1 . . . . . . . . 5014 2
79 . 1 1 107 107 GLY HA2 H 1 3.722 0.005 . 1 . . . . . . . . 5014 2
80 . 1 1 108 108 VAL N N 15 119.304 0.050 . 1 . . . . . . . . 5014 2
81 . 1 1 108 108 VAL CA C 13 62.373 0.050 . 1 . . . . . . . . 5014 2
82 . 1 1 108 108 VAL HA H 1 3.844 0.005 . 1 . . . . . . . . 5014 2
83 . 1 1 108 108 VAL CB C 13 32.854 0.050 . 1 . . . . . . . . 5014 2
84 . 1 1 108 108 VAL HB H 1 1.786 0.005 . 1 . . . . . . . . 5014 2
85 . 1 1 108 108 VAL HG11 H 1 1.109 0.005 . 2 . . . . . . . . 5014 2
86 . 1 1 108 108 VAL HG12 H 1 1.109 0.005 . 2 . . . . . . . . 5014 2
87 . 1 1 108 108 VAL HG13 H 1 1.109 0.005 . 2 . . . . . . . . 5014 2
88 . 1 1 108 108 VAL HG21 H 1 0.615 0.005 . 2 . . . . . . . . 5014 2
89 . 1 1 108 108 VAL HG22 H 1 0.615 0.005 . 2 . . . . . . . . 5014 2
90 . 1 1 108 108 VAL HG23 H 1 0.615 0.005 . 2 . . . . . . . . 5014 2
91 . 1 1 109 109 TYR N N 15 123.021 0.050 . 1 . . . . . . . . 5014 2
92 . 1 1 109 109 TYR H H 1 7.826 0.005 . 1 . . . . . . . . 5014 2
93 . 1 1 109 109 TYR CA C 13 57.911 0.050 . 1 . . . . . . . . 5014 2
94 . 1 1 109 109 TYR HA H 1 4.243 0.005 . 1 . . . . . . . . 5014 2
95 . 1 1 109 109 TYR CB C 13 39.671 0.050 . 1 . . . . . . . . 5014 2
96 . 1 1 109 109 TYR HB2 H 1 2.807 0.005 . 1 . . . . . . . . 5014 2
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save_