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 30291
_Assigned_chem_shift_list.ID 1
_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 '2D DQF-COSY' . . . 30291 1
2 '2D 1H-1H TOCSY' . . . 30291 1
3 '2D 1H-1H NOESY' . . . 30291 1
4 '2D 1H-13C HSQC' . . . 30291 1
5 '2D 1H-15N HSQC' . . . 30291 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.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 ASP HA H 1 4.248 0.001 . . . . . . A 1 ASP HA . 30291 1
2 . 1 1 1 1 ASP HB2 H 1 2.936 0.000 . . . . . . A 1 ASP HB2 . 30291 1
3 . 1 1 1 1 ASP HB3 H 1 2.828 0.000 . . . . . . A 1 ASP HB3 . 30291 1
4 . 1 1 1 1 ASP CA C 13 52.376 0.000 . . . . . . A 1 ASP CA . 30291 1
5 . 1 1 2 2 CYS H H 1 8.559 0.001 . . . . . . A 2 CYS H . 30291 1
6 . 1 1 2 2 CYS HA H 1 4.131 0.001 . . . . . . A 2 CYS HA . 30291 1
7 . 1 1 2 2 CYS HB2 H 1 3.011 0.003 . . . . . . A 2 CYS HB2 . 30291 1
8 . 1 1 2 2 CYS HB3 H 1 2.621 0.002 . . . . . . A 2 CYS HB3 . 30291 1
9 . 1 1 2 2 CYS CA C 13 55.409 0.000 . . . . . . A 2 CYS CA . 30291 1
10 . 1 1 2 2 CYS CB C 13 44.746 0.000 . . . . . . A 2 CYS CB . 30291 1
11 . 1 1 2 2 CYS N N 15 116.695 0.000 . . . . . . A 2 CYS N . 30291 1
12 . 1 1 3 3 CYS H H 1 7.178 0.005 . . . . . . A 3 CYS H . 30291 1
13 . 1 1 3 3 CYS HA H 1 4.913 0.005 . . . . . . A 3 CYS HA . 30291 1
14 . 1 1 3 3 CYS HB2 H 1 1.901 0.003 . . . . . . A 3 CYS HB2 . 30291 1
15 . 1 1 3 3 CYS HB3 H 1 3.390 0.001 . . . . . . A 3 CYS HB3 . 30291 1
16 . 1 1 3 3 CYS CA C 13 55.335 0.000 . . . . . . A 3 CYS CA . 30291 1
17 . 1 1 3 3 CYS CB C 13 45.088 0.024 . . . . . . A 3 CYS CB . 30291 1
18 . 1 1 3 3 CYS N N 15 120.084 0.000 . . . . . . A 3 CYS N . 30291 1
19 . 1 1 5 5 CYS H H 1 8.548 0.002 . . . . . . A 5 CYS H . 30291 1
20 . 1 1 5 5 CYS HA H 1 4.942 0.002 . . . . . . A 5 CYS HA . 30291 1
21 . 1 1 5 5 CYS HB2 H 1 3.243 0.004 . . . . . . A 5 CYS HB2 . 30291 1
22 . 1 1 5 5 CYS HB3 H 1 2.754 0.001 . . . . . . A 5 CYS HB3 . 30291 1
23 . 1 1 5 5 CYS CA C 13 52.371 0.000 . . . . . . A 5 CYS CA . 30291 1
24 . 1 1 5 5 CYS CB C 13 43.509 0.034 . . . . . . A 5 CYS CB . 30291 1
25 . 1 1 5 5 CYS N N 15 121.921 0.000 . . . . . . A 5 CYS N . 30291 1
26 . 1 1 7 7 ALA H H 1 7.841 0.002 . . . . . . A 7 ALA H . 30291 1
27 . 1 1 7 7 ALA HA H 1 4.312 0.004 . . . . . . A 7 ALA HA . 30291 1
28 . 1 1 7 7 ALA HB1 H 1 1.174 0.001 . . . . . . A 7 ALA HB1 . 30291 1
29 . 1 1 7 7 ALA HB2 H 1 1.174 0.001 . . . . . . A 7 ALA HB2 . 30291 1
30 . 1 1 7 7 ALA HB3 H 1 1.174 0.001 . . . . . . A 7 ALA HB3 . 30291 1
31 . 1 1 7 7 ALA CB C 13 20.656 0.000 . . . . . . A 7 ALA CB . 30291 1
32 . 1 1 7 7 ALA N N 15 118.266 0.000 . . . . . . A 7 ALA N . 30291 1
33 . 1 1 8 8 GLY H H 1 8.177 0.002 . . . . . . A 8 GLY H . 30291 1
34 . 1 1 8 8 GLY HA2 H 1 4.057 0.001 . . . . . . A 8 GLY HA2 . 30291 1
35 . 1 1 8 8 GLY HA3 H 1 3.597 0.000 . . . . . . A 8 GLY HA3 . 30291 1
36 . 1 1 8 8 GLY CA C 13 44.468 0.033 . . . . . . A 8 GLY CA . 30291 1
37 . 1 1 8 8 GLY N N 15 107.501 0.000 . . . . . . A 8 GLY N . 30291 1
38 . 1 1 9 9 ALA H H 1 8.162 0.002 . . . . . . A 9 ALA H . 30291 1
39 . 1 1 9 9 ALA HA H 1 3.994 0.000 . . . . . . A 9 ALA HA . 30291 1
40 . 1 1 9 9 ALA HB1 H 1 1.230 0.003 . . . . . . A 9 ALA HB1 . 30291 1
41 . 1 1 9 9 ALA HB2 H 1 1.230 0.003 . . . . . . A 9 ALA HB2 . 30291 1
42 . 1 1 9 9 ALA HB3 H 1 1.230 0.003 . . . . . . A 9 ALA HB3 . 30291 1
43 . 1 1 9 9 ALA CA C 13 53.579 0.000 . . . . . . A 9 ALA CA . 30291 1
44 . 1 1 9 9 ALA CB C 13 19.278 0.000 . . . . . . A 9 ALA CB . 30291 1
45 . 1 1 9 9 ALA N N 15 121.959 0.000 . . . . . . A 9 ALA N . 30291 1
46 . 1 1 10 10 VAL H H 1 7.703 0.002 . . . . . . A 10 VAL H . 30291 1
47 . 1 1 10 10 VAL HA H 1 3.920 0.001 . . . . . . A 10 VAL HA . 30291 1
48 . 1 1 10 10 VAL HB H 1 1.741 0.000 . . . . . . A 10 VAL HB . 30291 1
49 . 1 1 10 10 VAL HG11 H 1 0.770 0.000 . . . . . . A 10 VAL HG11 . 30291 1
50 . 1 1 10 10 VAL HG12 H 1 0.770 0.000 . . . . . . A 10 VAL HG12 . 30291 1
51 . 1 1 10 10 VAL HG13 H 1 0.770 0.000 . . . . . . A 10 VAL HG13 . 30291 1
52 . 1 1 10 10 VAL HG21 H 1 0.770 0.000 . . . . . . A 10 VAL HG21 . 30291 1
53 . 1 1 10 10 VAL HG22 H 1 0.770 0.000 . . . . . . A 10 VAL HG22 . 30291 1
54 . 1 1 10 10 VAL HG23 H 1 0.770 0.000 . . . . . . A 10 VAL HG23 . 30291 1
55 . 1 1 10 10 VAL CA C 13 61.899 0.000 . . . . . . A 10 VAL CA . 30291 1
56 . 1 1 10 10 VAL CB C 13 32.027 0.000 . . . . . . A 10 VAL CB . 30291 1
57 . 1 1 10 10 VAL N N 15 118.039 0.000 . . . . . . A 10 VAL N . 30291 1
58 . 1 1 11 11 ARG H H 1 8.274 0.002 . . . . . . A 11 ARG H . 30291 1
59 . 1 1 11 11 ARG HA H 1 3.876 0.000 . . . . . . A 11 ARG HA . 30291 1
60 . 1 1 11 11 ARG HB2 H 1 1.587 0.006 . . . . . . A 11 ARG HB2 . 30291 1
61 . 1 1 11 11 ARG HB3 H 1 1.694 0.002 . . . . . . A 11 ARG HB3 . 30291 1
62 . 1 1 11 11 ARG HG2 H 1 1.494 0.002 . . . . . . A 11 ARG HG2 . 30291 1
63 . 1 1 11 11 ARG HG3 H 1 1.494 0.002 . . . . . . A 11 ARG HG3 . 30291 1
64 . 1 1 11 11 ARG HD2 H 1 3.026 0.000 . . . . . . A 11 ARG HD2 . 30291 1
65 . 1 1 11 11 ARG HD3 H 1 3.026 0.000 . . . . . . A 11 ARG HD3 . 30291 1
66 . 1 1 11 11 ARG HE H 1 7.034 0.002 . . . . . . A 11 ARG HE . 30291 1
67 . 1 1 11 11 ARG CA C 13 57.653 0.000 . . . . . . A 11 ARG CA . 30291 1
68 . 1 1 11 11 ARG CB C 13 30.142 0.005 . . . . . . A 11 ARG CB . 30291 1
69 . 1 1 11 11 ARG CG C 13 26.391 0.000 . . . . . . A 11 ARG CG . 30291 1
70 . 1 1 11 11 ARG N N 15 124.459 0.000 . . . . . . A 11 ARG N . 30291 1
71 . 1 1 11 11 ARG NE N 15 124.819 0.000 . . . . . . A 11 ARG NE . 30291 1
72 . 1 1 12 12 CYS H H 1 7.753 0.002 . . . . . . A 12 CYS H . 30291 1
73 . 1 1 12 12 CYS HA H 1 4.887 0.000 . . . . . . A 12 CYS HA . 30291 1
74 . 1 1 12 12 CYS HB2 H 1 2.946 0.003 . . . . . . A 12 CYS HB2 . 30291 1
75 . 1 1 12 12 CYS HB3 H 1 2.734 0.002 . . . . . . A 12 CYS HB3 . 30291 1
76 . 1 1 12 12 CYS CB C 13 46.501 0.011 . . . . . . A 12 CYS CB . 30291 1
77 . 1 1 12 12 CYS N N 15 119.838 0.000 . . . . . . A 12 CYS N . 30291 1
78 . 1 1 13 13 ARG H H 1 8.426 0.002 . . . . . . A 13 ARG H . 30291 1
79 . 1 1 13 13 ARG HA H 1 4.800 0.000 . . . . . . A 13 ARG HA . 30291 1
80 . 1 1 13 13 ARG HB2 H 1 1.769 0.005 . . . . . . A 13 ARG HB2 . 30291 1
81 . 1 1 13 13 ARG HB3 H 1 2.072 0.005 . . . . . . A 13 ARG HB3 . 30291 1
82 . 1 1 13 13 ARG HG2 H 1 1.570 0.006 . . . . . . A 13 ARG HG2 . 30291 1
83 . 1 1 13 13 ARG HG3 H 1 1.570 0.006 . . . . . . A 13 ARG HG3 . 30291 1
84 . 1 1 13 13 ARG HD2 H 1 3.213 0.000 . . . . . . A 13 ARG HD2 . 30291 1
85 . 1 1 13 13 ARG HD3 H 1 3.128 0.000 . . . . . . A 13 ARG HD3 . 30291 1
86 . 1 1 13 13 ARG HE H 1 6.887 0.002 . . . . . . A 13 ARG HE . 30291 1
87 . 1 1 13 13 ARG CB C 13 35.263 0.013 . . . . . . A 13 ARG CB . 30291 1
88 . 1 1 13 13 ARG N N 15 123.550 0.000 . . . . . . A 13 ARG N . 30291 1
89 . 1 1 13 13 ARG NE N 15 124.610 0.000 . . . . . . A 13 ARG NE . 30291 1
90 . 1 1 14 14 PHE H H 1 9.746 0.003 . . . . . . A 14 PHE H . 30291 1
91 . 1 1 14 14 PHE HA H 1 4.439 0.001 . . . . . . A 14 PHE HA . 30291 1
92 . 1 1 14 14 PHE HB2 H 1 3.327 0.002 . . . . . . A 14 PHE HB2 . 30291 1
93 . 1 1 14 14 PHE HB3 H 1 2.894 0.003 . . . . . . A 14 PHE HB3 . 30291 1
94 . 1 1 14 14 PHE HD1 H 1 7.093 0.001 . . . . . . A 14 PHE HD1 . 30291 1
95 . 1 1 14 14 PHE HD2 H 1 7.093 0.001 . . . . . . A 14 PHE HD2 . 30291 1
96 . 1 1 14 14 PHE HE1 H 1 7.151 0.000 . . . . . . A 14 PHE HE1 . 30291 1
97 . 1 1 14 14 PHE HE2 H 1 7.151 0.000 . . . . . . A 14 PHE HE2 . 30291 1
98 . 1 1 14 14 PHE CA C 13 61.807 0.000 . . . . . . A 14 PHE CA . 30291 1
99 . 1 1 14 14 PHE CB C 13 37.757 0.019 . . . . . . A 14 PHE CB . 30291 1
100 . 1 1 14 14 PHE N N 15 130.168 0.000 . . . . . . A 14 PHE N . 30291 1
101 . 1 1 15 15 ALA H H 1 8.709 0.001 . . . . . . A 15 ALA H . 30291 1
102 . 1 1 15 15 ALA HA H 1 3.886 0.002 . . . . . . A 15 ALA HA . 30291 1
103 . 1 1 15 15 ALA HB1 H 1 1.277 0.000 . . . . . . A 15 ALA HB1 . 30291 1
104 . 1 1 15 15 ALA HB2 H 1 1.277 0.000 . . . . . . A 15 ALA HB2 . 30291 1
105 . 1 1 15 15 ALA HB3 H 1 1.277 0.000 . . . . . . A 15 ALA HB3 . 30291 1
106 . 1 1 15 15 ALA CA C 13 54.097 0.000 . . . . . . A 15 ALA CA . 30291 1
107 . 1 1 15 15 ALA CB C 13 18.346 0.000 . . . . . . A 15 ALA CB . 30291 1
108 . 1 1 15 15 ALA N N 15 119.800 0.000 . . . . . . A 15 ALA N . 30291 1
109 . 1 1 16 16 CYS H H 1 7.019 0.003 . . . . . . A 16 CYS H . 30291 1
110 . 1 1 16 16 CYS HA H 1 4.145 0.002 . . . . . . A 16 CYS HA . 30291 1
111 . 1 1 16 16 CYS HB2 H 1 3.672 0.003 . . . . . . A 16 CYS HB2 . 30291 1
112 . 1 1 16 16 CYS HB3 H 1 3.085 0.002 . . . . . . A 16 CYS HB3 . 30291 1
113 . 1 1 16 16 CYS CA C 13 55.042 0.000 . . . . . . A 16 CYS CA . 30291 1
114 . 1 1 16 16 CYS CB C 13 43.254 0.005 . . . . . . A 16 CYS CB . 30291 1
115 . 1 1 16 16 CYS N N 15 112.417 0.000 . . . . . . A 16 CYS N . 30291 1
116 . 1 1 17 17 CYS H H 1 7.666 0.004 . . . . . . A 17 CYS H . 30291 1
117 . 1 1 17 17 CYS HA H 1 4.306 0.002 . . . . . . A 17 CYS HA . 30291 1
118 . 1 1 17 17 CYS HB2 H 1 2.969 0.002 . . . . . . A 17 CYS HB2 . 30291 1
119 . 1 1 17 17 CYS HB3 H 1 2.507 0.002 . . . . . . A 17 CYS HB3 . 30291 1
120 . 1 1 17 17 CYS CB C 13 40.588 0.025 . . . . . . A 17 CYS CB . 30291 1
121 . 1 1 17 17 CYS N N 15 119.043 0.000 . . . . . . A 17 CYS N . 30291 1
stop_
save_