Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30915
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_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 '1H-1H TOCSY' . . . 30915 1
2 '1H-1H NOESY' . . . 30915 1
3 '1H-15N HSQC' . . . 30915 1
4 '1H-13C HSQC' . . . 30915 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 1 1 GLY CA C 13 43.433 0.000 . . . . . A A 1 GLY CA . 30915 1
2 . 1 . 1 2 2 CYS HA H 1 4.417 0.000 . . . . . A A 2 CYS HA . 30915 1
3 . 1 . 1 2 2 CYS HB2 H 1 2.757 0.000 . . . . . A A 2 CYS HB2 . 30915 1
4 . 1 . 1 3 3 CYS H H 1 8.491 0.000 . . . . . A A 3 CYS H . 30915 1
5 . 1 . 1 3 3 CYS HA H 1 4.483 0.000 . . . . . A A 3 CYS HA . 30915 1
6 . 1 . 1 3 3 CYS HB2 H 1 2.708 0.000 . . . . . A A 3 CYS HB2 . 30915 1
7 . 1 . 1 3 3 CYS HB3 H 1 3.309 0.000 . . . . . A A 3 CYS HB3 . 30915 1
8 . 1 . 1 3 3 CYS CA C 13 55.532 0.000 . . . . . A A 3 CYS CA . 30915 1
9 . 1 . 1 3 3 CYS CB C 13 34.985 0.000 . . . . . A A 3 CYS CB . 30915 1
10 . 1 . 1 3 3 CYS N N 15 111.173 0.000 . . . . . A A 3 CYS N . 30915 1
11 . 1 . 1 4 4 SER H H 1 7.953 0.000 . . . . . A A 4 SER H . 30915 1
12 . 1 . 1 4 4 SER HA H 1 4.504 0.000 . . . . . A A 4 SER HA . 30915 1
13 . 1 . 1 4 4 SER HB2 H 1 4.013 0.000 . . . . . A A 4 SER HB2 . 30915 1
14 . 1 . 1 4 4 SER HB3 H 1 4.013 0.000 . . . . . A A 4 SER HB3 . 30915 1
15 . 1 . 1 4 4 SER CA C 13 58.981 0.000 . . . . . A A 4 SER CA . 30915 1
16 . 1 . 1 4 4 SER CB C 13 63.482 0.000 . . . . . A A 4 SER CB . 30915 1
17 . 1 . 1 4 4 SER N N 15 114.759 0.000 . . . . . A A 4 SER N . 30915 1
18 . 1 . 1 5 5 LEU H H 1 8.162 0.001 . . . . . A A 5 LEU H . 30915 1
19 . 1 . 1 5 5 LEU HA H 1 5.058 0.000 . . . . . A A 5 LEU HA . 30915 1
20 . 1 . 1 5 5 LEU HB2 H 1 2.078 0.000 . . . . . A A 5 LEU HB2 . 30915 1
21 . 1 . 1 5 5 LEU HB3 H 1 1.621 0.000 . . . . . A A 5 LEU HB3 . 30915 1
22 . 1 . 1 5 5 LEU HG H 1 1.653 0.000 . . . . . A A 5 LEU HG . 30915 1
23 . 1 . 1 5 5 LEU HD11 H 1 0.937 0.012 . . . . . A A 5 LEU HD11 . 30915 1
24 . 1 . 1 5 5 LEU HD12 H 1 0.937 0.012 . . . . . A A 5 LEU HD12 . 30915 1
25 . 1 . 1 5 5 LEU HD13 H 1 0.937 0.012 . . . . . A A 5 LEU HD13 . 30915 1
26 . 1 . 1 5 5 LEU HD21 H 1 0.903 0.000 . . . . . A A 5 LEU HD21 . 30915 1
27 . 1 . 1 5 5 LEU HD22 H 1 0.903 0.000 . . . . . A A 5 LEU HD22 . 30915 1
28 . 1 . 1 5 5 LEU HD23 H 1 0.903 0.000 . . . . . A A 5 LEU HD23 . 30915 1
29 . 1 . 1 5 5 LEU CB C 13 42.772 0.000 . . . . . A A 5 LEU CB . 30915 1
30 . 1 . 1 5 5 LEU CG C 13 26.485 0.000 . . . . . A A 5 LEU CG . 30915 1
31 . 1 . 1 5 5 LEU N N 15 125.481 0.000 . . . . . A A 5 LEU N . 30915 1
32 . 1 . 1 6 6 PRO HA H 1 4.406 0.000 . . . . . A A 6 PRO HA . 30915 1
33 . 1 . 1 6 6 PRO HB2 H 1 2.099 0.000 . . . . . A A 6 PRO HB2 . 30915 1
34 . 1 . 1 6 6 PRO HB3 H 1 2.343 0.000 . . . . . A A 6 PRO HB3 . 30915 1
35 . 1 . 1 6 6 PRO HG2 H 1 2.052 0.000 . . . . . A A 6 PRO HG2 . 30915 1
36 . 1 . 1 6 6 PRO HG3 H 1 2.239 0.000 . . . . . A A 6 PRO HG3 . 30915 1
37 . 1 . 1 6 6 PRO HD2 H 1 4.245 0.000 . . . . . A A 6 PRO HD2 . 30915 1
38 . 1 . 1 6 6 PRO HD3 H 1 3.850 0.003 . . . . . A A 6 PRO HD3 . 30915 1
39 . 1 . 1 6 6 PRO CA C 13 65.117 0.000 . . . . . A A 6 PRO CA . 30915 1
40 . 1 . 1 6 6 PRO CB C 13 29.232 0.000 . . . . . A A 6 PRO CB . 30915 1
41 . 1 . 1 6 6 PRO CG C 13 27.337 0.000 . . . . . A A 6 PRO CG . 30915 1
42 . 1 . 1 6 6 PRO CD C 13 50.366 0.000 . . . . . A A 6 PRO CD . 30915 1
43 . 1 . 1 7 7 PRO HA H 1 4.392 0.000 . . . . . A A 7 PRO HA . 30915 1
44 . 1 . 1 7 7 PRO HB2 H 1 1.822 0.000 . . . . . A A 7 PRO HB2 . 30915 1
45 . 1 . 1 7 7 PRO HB3 H 1 2.306 0.000 . . . . . A A 7 PRO HB3 . 30915 1
46 . 1 . 1 7 7 PRO HG2 H 1 2.017 0.000 . . . . . A A 7 PRO HG2 . 30915 1
47 . 1 . 1 7 7 PRO HG3 H 1 2.065 0.000 . . . . . A A 7 PRO HG3 . 30915 1
48 . 1 . 1 7 7 PRO HD2 H 1 3.709 0.000 . . . . . A A 7 PRO HD2 . 30915 1
49 . 1 . 1 7 7 PRO HD3 H 1 3.397 0.000 . . . . . A A 7 PRO HD3 . 30915 1
50 . 1 . 1 7 7 PRO CA C 13 63.988 0.000 . . . . . A A 7 PRO CA . 30915 1
51 . 1 . 1 7 7 PRO CB C 13 30.827 0.000 . . . . . A A 7 PRO CB . 30915 1
52 . 1 . 1 7 7 PRO CG C 13 27.336 0.000 . . . . . A A 7 PRO CG . 30915 1
53 . 1 . 1 7 7 PRO CD C 13 50.251 0.000 . . . . . A A 7 PRO CD . 30915 1
54 . 1 . 1 8 8 CYS H H 1 7.341 0.000 . . . . . A A 8 CYS H . 30915 1
55 . 1 . 1 8 8 CYS HA H 1 4.329 0.000 . . . . . A A 8 CYS HA . 30915 1
56 . 1 . 1 8 8 CYS HB2 H 1 3.255 0.000 . . . . . A A 8 CYS HB2 . 30915 1
57 . 1 . 1 8 8 CYS HB3 H 1 3.255 0.000 . . . . . A A 8 CYS HB3 . 30915 1
58 . 1 . 1 8 8 CYS CB C 13 41.150 0.000 . . . . . A A 8 CYS CB . 30915 1
59 . 1 . 1 8 8 CYS N N 15 118.046 0.000 . . . . . A A 8 CYS N . 30915 1
60 . 1 . 1 9 9 ALA H H 1 8.624 0.000 . . . . . A A 9 ALA H . 30915 1
61 . 1 . 1 9 9 ALA HA H 1 4.146 0.000 . . . . . A A 9 ALA HA . 30915 1
62 . 1 . 1 9 9 ALA HB1 H 1 1.478 0.000 . . . . . A A 9 ALA HB1 . 30915 1
63 . 1 . 1 9 9 ALA HB2 H 1 1.478 0.000 . . . . . A A 9 ALA HB2 . 30915 1
64 . 1 . 1 9 9 ALA HB3 H 1 1.478 0.000 . . . . . A A 9 ALA HB3 . 30915 1
65 . 1 . 1 9 9 ALA CA C 13 55.517 0.000 . . . . . A A 9 ALA CA . 30915 1
66 . 1 . 1 9 9 ALA CB C 13 18.222 0.000 . . . . . A A 9 ALA CB . 30915 1
67 . 1 . 1 9 9 ALA N N 15 125.690 0.000 . . . . . A A 9 ALA N . 30915 1
68 . 1 . 1 10 10 ALA H H 1 8.056 0.000 . . . . . A A 10 ALA H . 30915 1
69 . 1 . 1 10 10 ALA HA H 1 4.025 0.000 . . . . . A A 10 ALA HA . 30915 1
70 . 1 . 1 10 10 ALA HB1 H 1 1.410 0.000 . . . . . A A 10 ALA HB1 . 30915 1
71 . 1 . 1 10 10 ALA HB2 H 1 1.410 0.000 . . . . . A A 10 ALA HB2 . 30915 1
72 . 1 . 1 10 10 ALA HB3 H 1 1.410 0.000 . . . . . A A 10 ALA HB3 . 30915 1
73 . 1 . 1 10 10 ALA CA C 13 54.239 0.000 . . . . . A A 10 ALA CA . 30915 1
74 . 1 . 1 10 10 ALA CB C 13 18.261 0.000 . . . . . A A 10 ALA CB . 30915 1
75 . 1 . 1 10 10 ALA N N 15 117.984 0.000 . . . . . A A 10 ALA N . 30915 1
76 . 1 . 1 11 11 ASN H H 1 7.226 0.000 . . . . . A A 11 ASN H . 30915 1
77 . 1 . 1 11 11 ASN HA H 1 4.819 0.000 . . . . . A A 11 ASN HA . 30915 1
78 . 1 . 1 11 11 ASN HB2 H 1 2.977 0.000 . . . . . A A 11 ASN HB2 . 30915 1
79 . 1 . 1 11 11 ASN HB3 H 1 2.795 0.000 . . . . . A A 11 ASN HB3 . 30915 1
80 . 1 . 1 11 11 ASN HD21 H 1 7.629 0.000 . . . . . A A 11 ASN HD21 . 30915 1
81 . 1 . 1 11 11 ASN HD22 H 1 6.852 0.000 . . . . . A A 11 ASN HD22 . 30915 1
82 . 1 . 1 11 11 ASN CB C 13 39.895 0.000 . . . . . A A 11 ASN CB . 30915 1
83 . 1 . 1 11 11 ASN N N 15 113.418 0.000 . . . . . A A 11 ASN N . 30915 1
84 . 1 . 1 12 12 ASN H H 1 7.511 0.000 . . . . . A A 12 ASN H . 30915 1
85 . 1 . 1 12 12 ASN HA H 1 5.376 0.000 . . . . . A A 12 ASN HA . 30915 1
86 . 1 . 1 12 12 ASN HB2 H 1 2.647 0.000 . . . . . A A 12 ASN HB2 . 30915 1
87 . 1 . 1 12 12 ASN HB3 H 1 2.851 0.001 . . . . . A A 12 ASN HB3 . 30915 1
88 . 1 . 1 12 12 ASN HD21 H 1 7.706 0.001 . . . . . A A 12 ASN HD21 . 30915 1
89 . 1 . 1 12 12 ASN HD22 H 1 7.598 0.000 . . . . . A A 12 ASN HD22 . 30915 1
90 . 1 . 1 12 12 ASN CB C 13 40.767 0.000 . . . . . A A 12 ASN CB . 30915 1
91 . 1 . 1 12 12 ASN N N 15 117.626 0.000 . . . . . A A 12 ASN N . 30915 1
92 . 1 . 1 13 13 PRO HA H 1 4.404 0.000 . . . . . A A 13 PRO HA . 30915 1
93 . 1 . 1 13 13 PRO HB2 H 1 2.252 0.000 . . . . . A A 13 PRO HB2 . 30915 1
94 . 1 . 1 13 13 PRO HB3 H 1 2.049 0.000 . . . . . A A 13 PRO HB3 . 30915 1
95 . 1 . 1 13 13 PRO HG2 H 1 2.015 0.000 . . . . . A A 13 PRO HG2 . 30915 1
96 . 1 . 1 13 13 PRO HG3 H 1 2.015 0.000 . . . . . A A 13 PRO HG3 . 30915 1
97 . 1 . 1 13 13 PRO HD2 H 1 3.772 0.000 . . . . . A A 13 PRO HD2 . 30915 1
98 . 1 . 1 13 13 PRO HD3 H 1 3.413 0.000 . . . . . A A 13 PRO HD3 . 30915 1
99 . 1 . 1 13 13 PRO CA C 13 65.715 0.000 . . . . . A A 13 PRO CA . 30915 1
100 . 1 . 1 13 13 PRO CB C 13 31.564 0.000 . . . . . A A 13 PRO CB . 30915 1
101 . 1 . 1 13 13 PRO CG C 13 28.167 0.000 . . . . . A A 13 PRO CG . 30915 1
102 . 1 . 1 13 13 PRO CD C 13 50.648 0.000 . . . . . A A 13 PRO CD . 30915 1
103 . 1 . 1 14 14 ASP H H 1 8.565 0.000 . . . . . A A 14 ASP H . 30915 1
104 . 1 . 1 14 14 ASP HA H 1 4.442 0.001 . . . . . A A 14 ASP HA . 30915 1
105 . 1 . 1 14 14 ASP HB2 H 1 2.633 0.000 . . . . . A A 14 ASP HB2 . 30915 1
106 . 1 . 1 14 14 ASP HB3 H 1 2.633 0.000 . . . . . A A 14 ASP HB3 . 30915 1
107 . 1 . 1 14 14 ASP CA C 13 56.510 0.000 . . . . . A A 14 ASP CA . 30915 1
108 . 1 . 1 14 14 ASP CB C 13 40.060 0.000 . . . . . A A 14 ASP CB . 30915 1
109 . 1 . 1 15 15 TYS H H 1 7.606 0.001 . . . . . A A 15 TYS H . 30915 1
110 . 1 . 1 15 15 TYS N N 15 118.535 0.000 . . . . . A A 15 TYS N . 30915 1
111 . 1 . 1 15 15 TYS CA C 13 58.383 0.000 . . . . . A A 15 TYS CA . 30915 1
112 . 1 . 1 15 15 TYS HA H 1 4.518 0.001 . . . . . A A 15 TYS HA . 30915 1
113 . 1 . 1 15 15 TYS HB2 H 1 2.896 0.000 . . . . . A A 15 TYS HB2 . 30915 1
114 . 1 . 1 15 15 TYS HB3 H 1 3.143 0.003 . . . . . A A 15 TYS HB3 . 30915 1
115 . 1 . 1 15 15 TYS HD2 H 1 7.171 0.000 . . . . . A A 15 TYS HD2 . 30915 1
116 . 1 . 1 15 15 TYS HE2 H 1 7.139 0.000 . . . . . A A 15 TYS HE2 . 30915 1
117 . 1 . 1 16 16 CYS H H 1 8.001 0.000 . . . . . A A 16 CYS H . 30915 1
118 . 1 . 1 16 16 CYS HA H 1 4.750 0.003 . . . . . A A 16 CYS HA . 30915 1
119 . 1 . 1 16 16 CYS HB2 H 1 2.757 0.000 . . . . . A A 16 CYS HB2 . 30915 1
120 . 1 . 1 16 16 CYS HB3 H 1 3.299 0.000 . . . . . A A 16 CYS HB3 . 30915 1
121 . 1 . 1 16 16 CYS N N 15 115.268 0.000 . . . . . A A 16 CYS N . 30915 1
122 . 1 . 1 17 17 NH2 HN1 H 1 7.295 0.001 . . . . . A A 17 NH2 HN1 . 30915 1
123 . 1 . 1 17 17 NH2 HN2 H 1 7.300 0.008 . . . . . A A 17 NH2 HN2 . 30915 1
stop_
save_