Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5582
_Assigned_chem_shift_list.ID 1
_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
;
Two distinct conformations were obtained for the glycine-rich ring (residues
5-11) and models 1-9 and models 10-17 belong to those clusters, respectively.
;
_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 . 5582 1
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 1 1 CYS HA H 1 4.847 0.025 . 1 . . . . . . . . 5582 1
2 . 1 1 1 1 CYS HB3 H 1 2.607 0.025 . 2 . . . . . . . . 5582 1
3 . 1 1 1 1 CYS HB2 H 1 3.084 0.025 . 2 . . . . . . . . 5582 1
4 . 1 1 2 2 ABA H H 1 8.063 0.025 . 1 . . . . . . . . 5582 1
5 . 1 1 2 2 ABA HA H 1 4.353 0.025 . 1 . . . . . . . . 5582 1
6 . 1 1 2 2 ABA HB H 1 3.421 0.025 . 1 . . . . . . . . 5582 1
7 . 1 1 2 2 ABA HG1 H 1 1.480 0.025 . 1 . . . . . . . . 5582 1
8 . 1 1 3 3 PHE H H 1 8.642 0.025 . 1 . . . . . . . . 5582 1
9 . 1 1 3 3 PHE HA H 1 4.609 0.025 . 1 . . . . . . . . 5582 1
10 . 1 1 3 3 PHE HB3 H 1 3.004 0.025 . 2 . . . . . . . . 5582 1
11 . 1 1 3 3 PHE HB2 H 1 3.137 0.025 . 2 . . . . . . . . 5582 1
12 . 1 1 3 3 PHE HD1 H 1 7.274 0.025 . 1 . . . . . . . . 5582 1
13 . 1 1 3 3 PHE HE1 H 1 7.296 0.025 . 1 . . . . . . . . 5582 1
14 . 1 1 3 3 PHE HZ H 1 7.195 0.025 . 1 . . . . . . . . 5582 1
15 . 1 1 3 3 PHE HE2 H 1 7.296 0.025 . 1 . . . . . . . . 5582 1
16 . 1 1 3 3 PHE HD2 H 1 7.274 0.025 . 1 . . . . . . . . 5582 1
17 . 1 1 4 4 ABA H H 1 8.149 0.025 . 1 . . . . . . . . 5582 1
18 . 1 1 4 4 ABA HA H 1 4.493 0.025 . 1 . . . . . . . . 5582 1
19 . 1 1 4 4 ABA HB H 1 3.413 0.025 . 1 . . . . . . . . 5582 1
20 . 1 1 4 4 ABA HG1 H 1 0.673 0.025 . 1 . . . . . . . . 5582 1
21 . 1 1 5 5 LEU H H 1 8.192 0.025 . 1 . . . . . . . . 5582 1
22 . 1 1 5 5 LEU HA H 1 4.822 0.025 . 1 . . . . . . . . 5582 1
23 . 1 1 5 5 LEU HB3 H 1 1.474 0.025 . 1 . . . . . . . . 5582 1
24 . 1 1 5 5 LEU HB2 H 1 1.474 0.025 . 1 . . . . . . . . 5582 1
25 . 1 1 5 5 LEU HG H 1 1.589 0.025 . 1 . . . . . . . . 5582 1
26 . 1 1 5 5 LEU HD11 H 1 0.885 0.025 . 1 . . . . . . . . 5582 1
27 . 1 1 5 5 LEU HD12 H 1 0.885 0.025 . 1 . . . . . . . . 5582 1
28 . 1 1 5 5 LEU HD13 H 1 0.885 0.025 . 1 . . . . . . . . 5582 1
29 . 1 1 5 5 LEU HD21 H 1 0.885 0.025 . 1 . . . . . . . . 5582 1
30 . 1 1 5 5 LEU HD22 H 1 0.885 0.025 . 1 . . . . . . . . 5582 1
31 . 1 1 5 5 LEU HD23 H 1 0.885 0.025 . 1 . . . . . . . . 5582 1
32 . 1 1 6 6 PRO HA H 1 4.334 0.025 . 1 . . . . . . . . 5582 1
33 . 1 1 6 6 PRO HB3 H 1 1.941 0.025 . 2 . . . . . . . . 5582 1
34 . 1 1 6 6 PRO HB2 H 1 2.204 0.025 . 2 . . . . . . . . 5582 1
35 . 1 1 6 6 PRO HG3 H 1 1.838 0.025 . 2 . . . . . . . . 5582 1
36 . 1 1 6 6 PRO HG2 H 1 1.948 0.025 . 2 . . . . . . . . 5582 1
37 . 1 1 6 6 PRO HD3 H 1 3.640 0.025 . 2 . . . . . . . . 5582 1
38 . 1 1 6 6 PRO HD2 H 1 3.697 0.025 . 2 . . . . . . . . 5582 1
39 . 1 1 7 7 GLY H H 1 8.688 0.025 . 1 . . . . . . . . 5582 1
40 . 1 1 7 7 GLY HA3 H 1 3.931 0.025 . 2 . . . . . . . . 5582 1
41 . 1 1 7 7 GLY HA2 H 1 4.018 0.025 . 2 . . . . . . . . 5582 1
42 . 1 1 8 8 GLY H H 1 8.684 0.025 . 1 . . . . . . . . 5582 1
43 . 1 1 8 8 GLY HA3 H 1 3.856 0.025 . 2 . . . . . . . . 5582 1
44 . 1 1 8 8 GLY HA2 H 1 3.949 0.025 . 2 . . . . . . . . 5582 1
45 . 1 1 9 9 GLY H H 1 8.325 0.025 . 1 . . . . . . . . 5582 1
46 . 1 1 9 9 GLY HA3 H 1 3.843 0.025 . 2 . . . . . . . . 5582 1
47 . 1 1 9 9 GLY HA2 H 1 4.122 0.025 . 2 . . . . . . . . 5582 1
48 . 1 1 10 10 GLY H H 1 8.067 0.025 . 1 . . . . . . . . 5582 1
49 . 1 1 10 10 GLY HA3 H 1 3.980 0.025 . 2 . . . . . . . . 5582 1
50 . 1 1 10 10 GLY HA2 H 1 4.031 0.025 . 2 . . . . . . . . 5582 1
51 . 1 1 11 11 VAL H H 1 8.391 0.025 . 1 . . . . . . . . 5582 1
52 . 1 1 11 11 VAL HA H 1 4.260 0.025 . 1 . . . . . . . . 5582 1
53 . 1 1 11 11 VAL HB H 1 2.111 0.025 . 1 . . . . . . . . 5582 1
54 . 1 1 11 11 VAL HG21 H 1 0.913 0.025 . 1 . . . . . . . . 5582 1
55 . 1 1 11 11 VAL HG22 H 1 0.913 0.025 . 1 . . . . . . . . 5582 1
56 . 1 1 11 11 VAL HG23 H 1 0.913 0.025 . 1 . . . . . . . . 5582 1
57 . 1 1 11 11 VAL HG11 H 1 0.913 0.025 . 1 . . . . . . . . 5582 1
58 . 1 1 11 11 VAL HG12 H 1 0.913 0.025 . 1 . . . . . . . . 5582 1
59 . 1 1 11 11 VAL HG13 H 1 0.913 0.025 . 1 . . . . . . . . 5582 1
60 . 1 1 12 12 CYS H H 1 8.670 0.025 . 1 . . . . . . . . 5582 1
61 . 1 1 12 12 CYS HA H 1 4.181 0.025 . 1 . . . . . . . . 5582 1
62 . 1 1 12 12 CYS HB3 H 1 2.766 0.025 . 2 . . . . . . . . 5582 1
63 . 1 1 12 12 CYS HB2 H 1 2.878 0.025 . 2 . . . . . . . . 5582 1
64 . 1 1 13 13 ABA H H 1 8.076 0.025 . 1 . . . . . . . . 5582 1
65 . 1 1 13 13 ABA HA H 1 4.691 0.025 . 1 . . . . . . . . 5582 1
66 . 1 1 14 14 LEU H H 1 8.074 0.025 . 1 . . . . . . . . 5582 1
67 . 1 1 14 14 LEU HA H 1 4.941 0.025 . 1 . . . . . . . . 5582 1
68 . 1 1 14 14 LEU HB3 H 1 1.486 0.025 . 2 . . . . . . . . 5582 1
69 . 1 1 14 14 LEU HB2 H 1 1.674 0.025 . 2 . . . . . . . . 5582 1
70 . 1 1 14 14 LEU HG H 1 1.314 0.025 . 1 . . . . . . . . 5582 1
71 . 1 1 14 14 LEU HD11 H 1 0.950 0.025 . 2 . . . . . . . . 5582 1
72 . 1 1 14 14 LEU HD12 H 1 0.950 0.025 . 2 . . . . . . . . 5582 1
73 . 1 1 14 14 LEU HD13 H 1 0.950 0.025 . 2 . . . . . . . . 5582 1
74 . 1 1 14 14 LEU HD21 H 1 0.918 0.025 . 2 . . . . . . . . 5582 1
75 . 1 1 14 14 LEU HD22 H 1 0.918 0.025 . 2 . . . . . . . . 5582 1
76 . 1 1 14 14 LEU HD23 H 1 0.918 0.025 . 2 . . . . . . . . 5582 1
77 . 1 1 15 15 ABA H H 1 8.583 0.025 . 1 . . . . . . . . 5582 1
78 . 1 1 15 15 ABA HA H 1 4.985 0.025 . 1 . . . . . . . . 5582 1
79 . 1 1 15 15 ABA HB H 1 3.676 0.025 . 1 . . . . . . . . 5582 1
80 . 1 1 15 15 ABA HG1 H 1 1.387 0.025 . 1 . . . . . . . . 5582 1
81 . 1 1 16 16 DHA H H 1 10.476 0.025 . 1 . . . . . . . . 5582 1
82 . 1 1 16 16 DHA HB2 H 1 5.641 0.025 . 2 . . . . . . . . 5582 1
83 . 1 1 16 16 DHA HB3 H 1 5.241 0.025 . 2 . . . . . . . . 5582 1
84 . 1 1 17 17 GLU H H 1 8.634 0.025 . 1 . . . . . . . . 5582 1
85 . 1 1 17 17 GLU HA H 1 4.259 0.025 . 1 . . . . . . . . 5582 1
86 . 1 1 17 17 GLU HB3 H 1 2.014 0.025 . 2 . . . . . . . . 5582 1
87 . 1 1 17 17 GLU HB2 H 1 2.286 0.025 . 2 . . . . . . . . 5582 1
88 . 1 1 17 17 GLU HG3 H 1 2.234 0.025 . 1 . . . . . . . . 5582 1
89 . 1 1 17 17 GLU HG2 H 1 2.234 0.025 . 1 . . . . . . . . 5582 1
90 . 1 1 18 18 CYS H H 1 8.315 0.025 . 1 . . . . . . . . 5582 1
91 . 1 1 18 18 CYS HA H 1 4.764 0.025 . 1 . . . . . . . . 5582 1
92 . 1 1 18 18 CYS HB3 H 1 2.962 0.025 . 2 . . . . . . . . 5582 1
93 . 1 1 18 18 CYS HB2 H 1 3.240 0.025 . 2 . . . . . . . . 5582 1
94 . 1 1 19 19 ILE H H 1 8.055 0.025 . 1 . . . . . . . . 5582 1
95 . 1 1 19 19 ILE HA H 1 3.893 0.025 . 1 . . . . . . . . 5582 1
96 . 1 1 19 19 ILE HB H 1 2.117 0.025 . 1 . . . . . . . . 5582 1
97 . 1 1 19 19 ILE HG13 H 1 1.238 0.025 . 2 . . . . . . . . 5582 1
98 . 1 1 19 19 ILE HG12 H 1 1.622 0.025 . 2 . . . . . . . . 5582 1
99 . 1 1 19 19 ILE HD11 H 1 0.921 0.025 . 1 . . . . . . . . 5582 1
100 . 1 1 19 19 ILE HD12 H 1 0.921 0.025 . 1 . . . . . . . . 5582 1
101 . 1 1 19 19 ILE HD13 H 1 0.921 0.025 . 1 . . . . . . . . 5582 1
102 . 1 1 19 19 ILE HG21 H 1 0.921 0.025 . 1 . . . . . . . . 5582 1
103 . 1 1 19 19 ILE HG22 H 1 0.921 0.025 . 1 . . . . . . . . 5582 1
104 . 1 1 19 19 ILE HG23 H 1 0.921 0.025 . 1 . . . . . . . . 5582 1
105 . 1 1 20 20 DHL H H 1 8.289 0.025 . 1 . . . . . . . . 5582 1
106 . 1 1 20 20 DHL HA H 1 6.800 0.025 . 1 . . . . . . . . 5582 1
107 . 1 1 20 20 DHL HB2 H 1 5.489 0.025 . 1 . . . . . . . . 5582 1
108 . 1 1 20 20 DHL HB3 H 1 5.242 0.025 . 1 . . . . . . . . 5582 1
stop_
save_