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 5633
_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 . 5633 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 2 2 SER H H 1 8.768 0.000 . . . . . . . . . . 5633 2
2 . 1 1 3 3 PHE HB2 H 1 3.358 0.000 . . . . . . . . . . 5633 2
3 . 1 1 4 4 ILE H H 1 8.083 0.000 . . . . . . . . . . 5633 2
4 . 1 1 5 5 ASP HB2 H 1 2.955 0.016 . . . . . . . . . . 5633 2
5 . 1 1 5 5 ASP H H 1 8.258 0.000 . . . . . . . . . . 5633 2
6 . 1 1 6 6 ASN HD21 H 1 6.859 0.000 . . . . . . . . . . 5633 2
7 . 1 1 6 6 ASN HD22 H 1 7.694 0.001 . . . . . . . . . . 5633 2
8 . 1 1 6 6 ASN ND2 N 15 111.176 0.034 . . . . . . . . . . 5633 2
9 . 1 1 6 6 ASN H H 1 8.485 0.000 . . . . . . . . . . 5633 2
10 . 1 1 7 7 THR H H 1 8.613 0.000 . . . . . . . . . . 5633 2
11 . 1 1 8 8 CYS H H 1 8.457 0.001 . . . . . . . . . . 5633 2
12 . 1 1 9 9 ARG H H 1 9.121 0.002 . . . . . . . . . . 5633 2
13 . 1 1 11 11 VAL HG11 H 1 1.085 0.018 . . . . . . . . . . 5633 2
14 . 1 1 11 11 VAL HG12 H 1 1.085 0.018 . . . . . . . . . . 5633 2
15 . 1 1 11 11 VAL HG13 H 1 1.085 0.018 . . . . . . . . . . 5633 2
16 . 1 1 11 11 VAL H H 1 7.476 0.000 . . . . . . . . . . 5633 2
17 . 1 1 12 12 MET H H 1 8.559 0.000 . . . . . . . . . . 5633 2
18 . 1 1 13 13 GLY H H 1 8.546 0.001 . . . . . . . . . . 5633 2
19 . 1 1 14 14 ASN H H 1 8.329 0.000 . . . . . . . . . . 5633 2
20 . 1 1 15 15 ARG HB2 H 1 2.151 0.000 . . . . . . . . . . 5633 2
21 . 1 1 15 15 ARG H H 1 8.536 0.000 . . . . . . . . . . 5633 2
22 . 1 1 16 16 ASP H H 1 8.715 0.000 . . . . . . . . . . 5633 2
23 . 1 1 17 17 ILE H H 1 7.550 0.001 . . . . . . . . . . 5633 2
24 . 1 1 18 18 TYR H H 1 8.406 0.000 . . . . . . . . . . 5633 2
25 . 1 1 19 19 LYS HB2 H 1 2.155 0.018 . . . . . . . . . . 5633 2
26 . 1 1 19 19 LYS H H 1 8.321 0.000 . . . . . . . . . . 5633 2
27 . 1 1 20 20 LYS H H 1 7.433 0.002 . . . . . . . . . . 5633 2
28 . 1 1 21 21 VAL H H 1 8.128 0.000 . . . . . . . . . . 5633 2
29 . 1 1 22 22 VAL H H 1 8.835 0.001 . . . . . . . . . . 5633 2
30 . 1 1 23 23 ARG H H 1 7.418 0.000 . . . . . . . . . . 5633 2
31 . 1 1 24 24 VAL H H 1 7.748 0.000 . . . . . . . . . . 5633 2
32 . 1 1 26 26 GLU H H 1 8.621 0.000 . . . . . . . . . . 5633 2
33 . 1 1 27 27 ASP H H 1 9.295 0.000 . . . . . . . . . . 5633 2
34 . 1 1 29 29 THR H H 1 7.952 0.001 . . . . . . . . . . 5633 2
35 . 1 1 30 30 ASN HD21 H 1 7.100 0.000 . . . . . . . . . . 5633 2
36 . 1 1 30 30 ASN ND2 N 15 112.477 0.000 . . . . . . . . . . 5633 2
37 . 1 1 30 30 ASN H H 1 7.605 0.000 . . . . . . . . . . 5633 2
38 . 1 1 31 31 ILE H H 1 8.248 0.011 . . . . . . . . . . 5633 2
39 . 1 1 32 32 PHE H H 1 7.796 0.000 . . . . . . . . . . 5633 2
40 . 1 1 33 33 ARG H H 1 8.321 0.000 . . . . . . . . . . 5633 2
41 . 1 1 34 34 LEU HD11 H 1 1.136 0.013 . . . . . . . . . . 5633 2
42 . 1 1 34 34 LEU HD12 H 1 1.136 0.013 . . . . . . . . . . 5633 2
43 . 1 1 34 34 LEU HD13 H 1 1.136 0.013 . . . . . . . . . . 5633 2
44 . 1 1 34 34 LEU H H 1 7.284 0.001 . . . . . . . . . . 5633 2
45 . 1 1 36 36 GLY H H 1 8.867 0.000 . . . . . . . . . . 5633 2
46 . 1 1 37 37 LEU HD11 H 1 0.858 0.019 . . . . . . . . . . 5633 2
47 . 1 1 37 37 LEU HD12 H 1 0.858 0.019 . . . . . . . . . . 5633 2
48 . 1 1 37 37 LEU HD13 H 1 0.858 0.019 . . . . . . . . . . 5633 2
49 . 1 1 37 37 LEU H H 1 7.785 0.000 . . . . . . . . . . 5633 2
50 . 1 1 38 38 ASP H H 1 8.268 0.001 . . . . . . . . . . 5633 2
51 . 1 1 39 39 GLY H H 1 8.239 0.000 . . . . . . . . . . 5633 2
52 . 1 1 40 40 MET H H 1 7.675 0.000 . . . . . . . . . . 5633 2
53 . 1 1 41 41 CYS H H 1 8.494 0.000 . . . . . . . . . . 5633 2
54 . 1 1 42 42 ARG H H 1 8.197 0.001 . . . . . . . . . . 5633 2
55 . 1 1 43 43 ASN HD21 H 1 7.171 0.001 . . . . . . . . . . 5633 2
56 . 1 1 43 43 ASN HD22 H 1 8.029 0.001 . . . . . . . . . . 5633 2
57 . 1 1 43 43 ASN ND2 N 15 111.775 0.049 . . . . . . . . . . 5633 2
58 . 1 1 43 43 ASN H H 1 7.283 0.000 . . . . . . . . . . 5633 2
59 . 1 1 44 44 ARG H H 1 8.920 0.001 . . . . . . . . . . 5633 2
60 . 1 1 45 45 CYS H H 1 8.536 0.000 . . . . . . . . . . 5633 2
61 . 1 1 46 46 PHE H H 1 6.605 0.000 . . . . . . . . . . 5633 2
62 . 1 1 47 47 TYR H H 1 7.995 0.000 . . . . . . . . . . 5633 2
63 . 1 1 48 48 ASN HB2 H 1 3.119 0.000 . . . . . . . . . . 5633 2
64 . 1 1 48 48 ASN H H 1 8.115 0.000 . . . . . . . . . . 5633 2
65 . 1 1 49 49 GLU H H 1 9.860 0.000 . . . . . . . . . . 5633 2
66 . 1 1 50 50 TRP H H 1 9.061 0.001 . . . . . . . . . . 5633 2
67 . 1 1 51 51 PHE H H 1 8.950 0.001 . . . . . . . . . . 5633 2
68 . 1 1 52 52 LEU HD11 H 1 1.266 0.016 . . . . . . . . . . 5633 2
69 . 1 1 52 52 LEU HD12 H 1 1.266 0.016 . . . . . . . . . . 5633 2
70 . 1 1 52 52 LEU HD13 H 1 1.266 0.016 . . . . . . . . . . 5633 2
71 . 1 1 52 52 LEU H H 1 7.247 0.003 . . . . . . . . . . 5633 2
72 . 1 1 53 53 ILE H H 1 8.090 0.000 . . . . . . . . . . 5633 2
73 . 1 1 54 54 CYS H H 1 8.887 0.001 . . . . . . . . . . 5633 2
74 . 1 1 55 55 LEU H H 1 8.535 0.000 . . . . . . . . . . 5633 2
75 . 1 1 56 56 LYS H H 1 8.320 0.000 . . . . . . . . . . 5633 2
76 . 1 1 58 58 ALA H H 1 7.379 0.002 . . . . . . . . . . 5633 2
77 . 1 1 59 59 ASN H H 1 8.605 0.001 . . . . . . . . . . 5633 2
78 . 1 1 60 60 ARG H H 1 8.007 0.000 . . . . . . . . . . 5633 2
79 . 1 1 61 61 GLU HB2 H 1 2.353 0.008 . . . . . . . . . . 5633 2
80 . 1 1 61 61 GLU HG2 H 1 2.631 0.014 . . . . . . . . . . 5633 2
81 . 1 1 62 62 ASP H H 1 9.111 0.001 . . . . . . . . . . 5633 2
82 . 1 1 63 63 GLU H H 1 8.464 0.001 . . . . . . . . . . 5633 2
83 . 1 1 64 64 ILE H H 1 7.967 0.000 . . . . . . . . . . 5633 2
84 . 1 1 65 65 GLU H H 1 8.792 0.002 . . . . . . . . . . 5633 2
85 . 1 1 66 66 LYS HD2 H 1 1.459 0.010 . . . . . . . . . . 5633 2
86 . 1 1 67 67 PHE H H 1 8.026 0.000 . . . . . . . . . . 5633 2
87 . 1 1 68 68 ARG H H 1 9.146 0.001 . . . . . . . . . . 5633 2
88 . 1 1 69 69 VAL H H 1 7.764 0.003 . . . . . . . . . . 5633 2
89 . 1 1 70 70 TRP H H 1 8.475 0.000 . . . . . . . . . . 5633 2
90 . 1 1 71 71 ILE H H 1 9.575 0.004 . . . . . . . . . . 5633 2
91 . 1 1 72 72 SER HB2 H 1 4.398 0.008 . . . . . . . . . . 5633 2
92 . 1 1 72 72 SER H H 1 8.372 0.000 . . . . . . . . . . 5633 2
93 . 1 1 73 73 ILE H H 1 8.539 0.000 . . . . . . . . . . 5633 2
94 . 1 1 74 74 LEU HD11 H 1 1.236 0.022 . . . . . . . . . . 5633 2
95 . 1 1 74 74 LEU HD12 H 1 1.236 0.022 . . . . . . . . . . 5633 2
96 . 1 1 74 74 LEU HD13 H 1 1.236 0.022 . . . . . . . . . . 5633 2
97 . 1 1 74 74 LEU H H 1 8.579 0.001 . . . . . . . . . . 5633 2
98 . 1 1 75 75 ASN H H 1 8.093 0.000 . . . . . . . . . . 5633 2
99 . 1 1 76 76 ALA H H 1 8.205 0.000 . . . . . . . . . . 5633 2
100 . 1 1 77 77 GLY H H 1 8.637 0.001 . . . . . . . . . . 5633 2
101 . 1 1 78 78 GLN HE21 H 1 6.978 0.000 . . . . . . . . . . 5633 2
102 . 1 1 78 78 GLN HE22 H 1 7.772 0.000 . . . . . . . . . . 5633 2
103 . 1 1 78 78 GLN NE2 N 15 110.956 0.042 . . . . . . . . . . 5633 2
104 . 1 1 78 78 GLN H H 1 7.899 0.000 . . . . . . . . . . 5633 2
stop_
save_