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 5782
_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
;
For several residues a second chemical shift is observed, indicating a minor conformational
species (25%).
;
_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 '1H-1H TOCSY' . . . 5782 2
2 '1H-1H NOESY' . . . 5782 2
3 '1H-1H DQF-COSY' . . . 5782 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.Ambiguity_set_ID
_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 5 5 ILE H H 1 8.344 0.02 . 1 . . . . . . . . . 5782 2
2 . 1 1 5 5 ILE HA H 1 4.848 0.02 . 1 . . . . . . . . . 5782 2
3 . 1 1 5 5 ILE HB H 1 1.656 0.02 . 1 . . . . . . . . . 5782 2
4 . 1 1 6 6 GLN H H 1 9.205 0.02 . 1 . . . . . . . . . 5782 2
5 . 1 1 6 6 GLN HA H 1 4.942 0.02 . 1 . . . . . . . . . 5782 2
6 . 1 1 6 6 GLN HB2 H 1 2.348 0.02 . 2 . . . . . . . . . 5782 2
7 . 1 1 6 6 GLN HB3 H 1 2.214 0.02 . 2 . . . . . . . . . 5782 2
8 . 1 1 7 7 VAL H H 1 8.872 0.02 . 1 . . . . . . . . . 5782 2
9 . 1 1 7 7 VAL HA H 1 5.396 0.02 . 1 . . . . . . . . . 5782 2
10 . 1 1 7 7 VAL HB H 1 1.975 0.02 . 1 . . . . . . . . . 5782 2
11 . 1 1 7 7 VAL HG11 H 1 0.886 0.02 . 2 . . . . . . . . . 5782 2
12 . 1 1 7 7 VAL HG12 H 1 0.886 0.02 . 2 . . . . . . . . . 5782 2
13 . 1 1 7 7 VAL HG13 H 1 0.886 0.02 . 2 . . . . . . . . . 5782 2
14 . 1 1 7 7 VAL HG21 H 1 0.951 0.02 . 2 . . . . . . . . . 5782 2
15 . 1 1 7 7 VAL HG22 H 1 0.951 0.02 . 2 . . . . . . . . . 5782 2
16 . 1 1 7 7 VAL HG23 H 1 0.951 0.02 . 2 . . . . . . . . . 5782 2
17 . 1 1 8 8 TYR H H 1 8.595 0.02 . 1 . . . . . . . . . 5782 2
18 . 1 1 8 8 TYR HA H 1 5.299 0.02 . 1 . . . . . . . . . 5782 2
19 . 1 1 20 20 PHE H H 1 10.362 0.02 . 1 . . . . . . . . . 5782 2
20 . 1 1 20 20 PHE HA H 1 5.434 0.02 . 1 . . . . . . . . . 5782 2
21 . 1 1 20 20 PHE HB2 H 1 2.658 0.02 . 1 . . . . . . . . . 5782 2
22 . 1 1 20 20 PHE HD1 H 1 7.017 0.02 . 1 . . . . . . . . . 5782 2
23 . 1 1 23 23 CYS H H 1 9.622 0.02 . 1 . . . . . . . . . 5782 2
24 . 1 1 24 24 TYR H H 1 9.586 0.02 . 1 . . . . . . . . . 5782 2
25 . 1 1 24 24 TYR HA H 1 5.403 0.02 . 1 . . . . . . . . . 5782 2
26 . 1 1 24 24 TYR HB2 H 1 3.018 0.02 . 1 . . . . . . . . . 5782 2
27 . 1 1 35 35 VAL H H 1 8.140 0.02 . 1 . . . . . . . . . 5782 2
28 . 1 1 35 35 VAL HA H 1 4.793 0.02 . 1 . . . . . . . . . 5782 2
29 . 1 1 35 35 VAL HB H 1 0.617 0.02 . 1 . . . . . . . . . 5782 2
30 . 1 1 35 35 VAL HG11 H 1 0.451 0.02 . 2 . . . . . . . . . 5782 2
31 . 1 1 35 35 VAL HG12 H 1 0.451 0.02 . 2 . . . . . . . . . 5782 2
32 . 1 1 35 35 VAL HG13 H 1 0.451 0.02 . 2 . . . . . . . . . 5782 2
33 . 1 1 35 35 VAL HG21 H 1 0.200 0.02 . 2 . . . . . . . . . 5782 2
34 . 1 1 35 35 VAL HG22 H 1 0.200 0.02 . 2 . . . . . . . . . 5782 2
35 . 1 1 35 35 VAL HG23 H 1 0.200 0.02 . 2 . . . . . . . . . 5782 2
36 . 1 1 36 36 ASP H H 1 8.909 0.02 . 1 . . . . . . . . . 5782 2
37 . 1 1 36 36 ASP HA H 1 5.032 0.02 . 1 . . . . . . . . . 5782 2
38 . 1 1 36 36 ASP HB2 H 1 2.183 0.02 . 1 . . . . . . . . . 5782 2
39 . 1 1 47 47 VAL H H 1 7.939 0.02 . 1 . . . . . . . . . 5782 2
40 . 1 1 47 47 VAL HA H 1 4.507 0.02 . 1 . . . . . . . . . 5782 2
41 . 1 1 47 47 VAL HB H 1 2.053 0.02 . 1 . . . . . . . . . 5782 2
42 . 1 1 47 47 VAL HG11 H 1 1.070 0.02 . 2 . . . . . . . . . 5782 2
43 . 1 1 47 47 VAL HG12 H 1 1.070 0.02 . 2 . . . . . . . . . 5782 2
44 . 1 1 47 47 VAL HG13 H 1 1.070 0.02 . 2 . . . . . . . . . 5782 2
45 . 1 1 47 47 VAL HG21 H 1 0.986 0.02 . 2 . . . . . . . . . 5782 2
46 . 1 1 47 47 VAL HG22 H 1 0.986 0.02 . 2 . . . . . . . . . 5782 2
47 . 1 1 47 47 VAL HG23 H 1 0.986 0.02 . 2 . . . . . . . . . 5782 2
48 . 1 1 48 48 GLU H H 1 8.532 0.02 . 1 . . . . . . . . . 5782 2
49 . 1 1 48 48 GLU HA H 1 4.507 0.02 . 1 . . . . . . . . . 5782 2
50 . 1 1 48 48 GLU HB2 H 1 1.581 0.02 . 2 . . . . . . . . . 5782 2
51 . 1 1 48 48 GLU HB3 H 1 0.713 0.02 . 2 . . . . . . . . . 5782 2
52 . 1 1 53 53 SER H H 1 8.079 0.02 . 1 . . . . . . . . . 5782 2
53 . 1 1 53 53 SER HA H 1 4.709 0.02 . 1 . . . . . . . . . 5782 2
54 . 1 1 53 53 SER HB3 H 1 2.674 0.02 . 1 . . . . . . . . . 5782 2
55 . 1 1 64 64 TYR H H 1 9.067 0.02 . 1 . . . . . . . . . 5782 2
56 . 1 1 64 64 TYR HA H 1 5.345 0.02 . 1 . . . . . . . . . 5782 2
57 . 1 1 64 64 TYR HB2 H 1 2.840 0.02 . 2 . . . . . . . . . 5782 2
58 . 1 1 64 64 TYR HB3 H 1 2.642 0.02 . 2 . . . . . . . . . 5782 2
59 . 1 1 65 65 TYR H H 1 8.967 0.02 . 1 . . . . . . . . . 5782 2
60 . 1 1 65 65 TYR HA H 1 6.056 0.02 . 1 . . . . . . . . . 5782 2
61 . 1 1 65 65 TYR HB2 H 1 3.046 0.02 . 2 . . . . . . . . . 5782 2
62 . 1 1 65 65 TYR HB3 H 1 2.735 0.02 . 2 . . . . . . . . . 5782 2
63 . 1 1 67 67 GLU H H 1 8.466 0.02 . 1 . . . . . . . . . 5782 2
64 . 1 1 67 67 GLU HA H 1 4.361 0.02 . 1 . . . . . . . . . 5782 2
65 . 1 1 67 67 GLU HB2 H 1 1.857 0.02 . 1 . . . . . . . . . 5782 2
66 . 1 1 76 76 TYR H H 1 9.447 0.02 . 1 . . . . . . . . . 5782 2
67 . 1 1 76 76 TYR HA H 1 5.686 0.02 . 1 . . . . . . . . . 5782 2
68 . 1 1 76 76 TYR HB2 H 1 2.824 0.02 . 2 . . . . . . . . . 5782 2
69 . 1 1 76 76 TYR HB3 H 1 2.752 0.02 . 2 . . . . . . . . . 5782 2
70 . 1 1 77 77 ALA H H 1 8.790 0.02 . 1 . . . . . . . . . 5782 2
71 . 1 1 77 77 ALA HA H 1 5.059 0.02 . 1 . . . . . . . . . 5782 2
72 . 1 1 77 77 ALA HB1 H 1 1.218 0.02 . 1 . . . . . . . . . 5782 2
73 . 1 1 77 77 ALA HB2 H 1 1.218 0.02 . 1 . . . . . . . . . 5782 2
74 . 1 1 77 77 ALA HB3 H 1 1.218 0.02 . 1 . . . . . . . . . 5782 2
75 . 1 1 79 79 ARG H H 1 9.363 0.02 . 1 . . . . . . . . . 5782 2
76 . 1 1 79 79 ARG HA H 1 5.379 0.02 . 1 . . . . . . . . . 5782 2
77 . 1 1 79 79 ARG HB2 H 1 1.830 0.02 . 2 . . . . . . . . . 5782 2
78 . 1 1 79 79 ARG HB3 H 1 1.174 0.02 . 2 . . . . . . . . . 5782 2
79 . 1 1 81 81 ASN H H 1 8.931 0.02 . 1 . . . . . . . . . 5782 2
80 . 1 1 81 81 ASN HA H 1 5.167 0.02 . 1 . . . . . . . . . 5782 2
81 . 1 1 81 81 ASN HB2 H 1 2.810 0.02 . 2 . . . . . . . . . 5782 2
82 . 1 1 81 81 ASN HB3 H 1 2.413 0.02 . 2 . . . . . . . . . 5782 2
83 . 1 1 82 82 HIS H H 1 7.790 0.02 . 1 . . . . . . . . . 5782 2
84 . 1 1 82 82 HIS HA H 1 4.588 0.02 . 1 . . . . . . . . . 5782 2
85 . 1 1 83 83 VAL H H 1 7.950 0.02 . 1 . . . . . . . . . 5782 2
86 . 1 1 87 87 GLN H H 1 7.527 0.02 . 1 . . . . . . . . . 5782 2
87 . 1 1 87 87 GLN HA H 1 4.798 0.02 . 1 . . . . . . . . . 5782 2
88 . 1 1 89 89 LYS H H 1 8.563 0.02 . 1 . . . . . . . . . 5782 2
89 . 1 1 89 89 LYS HA H 1 4.556 0.02 . 1 . . . . . . . . . 5782 2
90 . 1 1 89 89 LYS HB2 H 1 1.742 0.02 . 1 . . . . . . . . . 5782 2
91 . 1 1 89 89 LYS HG2 H 1 1.440 0.02 . 1 . . . . . . . . . 5782 2
92 . 1 1 91 91 VAL H H 1 8.987 0.02 . 1 . . . . . . . . . 5782 2
93 . 1 1 91 91 VAL HA H 1 4.294 0.02 . 1 . . . . . . . . . 5782 2
94 . 1 1 91 91 VAL HB H 1 1.885 0.02 . 1 . . . . . . . . . 5782 2
95 . 1 1 91 91 VAL HG11 H 1 1.024 0.02 . 1 . . . . . . . . . 5782 2
96 . 1 1 91 91 VAL HG12 H 1 1.024 0.02 . 1 . . . . . . . . . 5782 2
97 . 1 1 91 91 VAL HG13 H 1 1.024 0.02 . 1 . . . . . . . . . 5782 2
98 . 1 1 94 94 ASP H H 1 8.506 0.02 . 1 . . . . . . . . . 5782 2
99 . 1 1 94 94 ASP HA H 1 4.521 0.02 . 1 . . . . . . . . . 5782 2
100 . 1 1 94 94 ASP HB2 H 1 2.779 0.02 . 2 . . . . . . . . . 5782 2
101 . 1 1 94 94 ASP HB3 H 1 2.491 0.02 . 2 . . . . . . . . . 5782 2
102 . 1 1 95 95 ARG H H 1 7.442 0.02 . 1 . . . . . . . . . 5782 2
103 . 1 1 95 95 ARG HA H 1 3.407 0.02 . 1 . . . . . . . . . 5782 2
104 . 1 1 95 95 ARG HB3 H 1 1.147 0.02 . 1 . . . . . . . . . 5782 2
stop_
save_