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 30382
_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 1H-1H TOCSY' . . . 30382 1
2 '2D 1H-1H NOESY' . . . 30382 1
3 '2D 1H-13C HSQC' . . . 30382 1
4 '2D 1H-15N HSQC' . . . 30382 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 CYS H H 1 8.364 0.008 . . . . . . A 1 CYS H1 . 30382 1
2 . 1 1 1 1 CYS HA H 1 5.684 0.007 . . . . . . A 1 CYS HA . 30382 1
3 . 1 1 1 1 CYS HB2 H 1 2.921 0.004 . . . . . . A 1 CYS HB2 . 30382 1
4 . 1 1 1 1 CYS HB3 H 1 2.798 0.004 . . . . . . A 1 CYS HB3 . 30382 1
5 . 1 1 1 1 CYS CA C 13 55.558 0.000 . . . . . . A 1 CYS CA . 30382 1
6 . 1 1 1 1 CYS CB C 13 48.903 0.000 . . . . . . A 1 CYS CB . 30382 1
7 . 1 1 1 1 CYS N N 15 119.871 0.000 . . . . . . A 1 CYS N . 30382 1
8 . 1 1 2 2 THR H H 1 8.947 0.003 . . . . . . A 2 THR H . 30382 1
9 . 1 1 2 2 THR HA H 1 4.298 0.009 . . . . . . A 2 THR HA . 30382 1
10 . 1 1 2 2 THR HB H 1 4.410 0.006 . . . . . . A 2 THR HB . 30382 1
11 . 1 1 2 2 THR HG21 H 1 1.296 0.003 . . . . . . A 2 THR HG21 . 30382 1
12 . 1 1 2 2 THR HG22 H 1 1.296 0.003 . . . . . . A 2 THR HG22 . 30382 1
13 . 1 1 2 2 THR HG23 H 1 1.296 0.003 . . . . . . A 2 THR HG23 . 30382 1
14 . 1 1 2 2 THR CA C 13 65.288 0.000 . . . . . . A 2 THR CA . 30382 1
15 . 1 1 2 2 THR CB C 13 69.728 0.000 . . . . . . A 2 THR CB . 30382 1
16 . 1 1 2 2 THR CG2 C 13 22.495 0.000 . . . . . . A 2 THR CG2 . 30382 1
17 . 1 1 2 2 THR N N 15 114.240 0.000 . . . . . . A 2 THR N . 30382 1
18 . 1 1 3 3 HIS H H 1 8.328 0.003 . . . . . . A 3 HIS H . 30382 1
19 . 1 1 3 3 HIS HA H 1 4.722 0.004 . . . . . . A 3 HIS HA . 30382 1
20 . 1 1 3 3 HIS HB2 H 1 2.993 0.006 . . . . . . A 3 HIS HB2 . 30382 1
21 . 1 1 3 3 HIS HB3 H 1 2.845 0.007 . . . . . . A 3 HIS HB3 . 30382 1
22 . 1 1 3 3 HIS HD2 H 1 7.016 0.001 . . . . . . A 3 HIS HD2 . 30382 1
23 . 1 1 3 3 HIS HE1 H 1 8.505 0.000 . . . . . . A 3 HIS HE1 . 30382 1
24 . 1 1 3 3 HIS CB C 13 30.932 0.012 . . . . . . A 3 HIS CB . 30382 1
25 . 1 1 3 3 HIS N N 15 115.139 0.000 . . . . . . A 3 HIS N . 30382 1
26 . 1 1 4 4 DPN H H 1 8.637 0.005 . . . . . . A 4 DPN H . 30382 1
27 . 1 1 4 4 DPN N N 15 124.502 0.000 . . . . . . A 4 DPN N . 30382 1
28 . 1 1 4 4 DPN CA C 13 53.780 0.000 . . . . . . A 4 DPN CA . 30382 1
29 . 1 1 4 4 DPN CB C 13 40.693 0.000 . . . . . . A 4 DPN CB . 30382 1
30 . 1 1 4 4 DPN HA H 1 5.169 0.004 . . . . . . A 4 DPN HA . 30382 1
31 . 1 1 4 4 DPN HB2 H 1 2.857 0.011 . . . . . . A 4 DPN HB2 . 30382 1
32 . 1 1 4 4 DPN HD2 H 1 7.147 0.002 . . . . . . A 4 DPN HD2 . 30382 1
33 . 1 1 4 4 DPN HE2 H 1 7.235 0.000 . . . . . . A 4 DPN HE2 . 30382 1
34 . 1 1 5 5 MMO N N 15 2.743 0.000 . . . . . . A 5 MMO N . 30382 1
35 . 1 1 5 5 MMO CA C 13 60.747 0.000 . . . . . . A 5 MMO CA . 30382 1
36 . 1 1 5 5 MMO CB C 13 28.001 0.012 . . . . . . A 5 MMO CB . 30382 1
37 . 1 1 5 5 MMO CG C 13 27.596 0.000 . . . . . . A 5 MMO CG . 30382 1
38 . 1 1 5 5 MMO HA H 1 4.134 0.005 . . . . . . A 5 MMO HA . 30382 1
39 . 1 1 5 5 MMO HCB1 H 1 1.036 0.007 . . . . . . A 5 MMO HCB1 . 30382 1
40 . 1 1 5 5 MMO HCD1 H 1 2.696 0.005 . . . . . . A 5 MMO HCD1 . 30382 1
41 . 1 1 5 5 MMO HCB2 H 1 0.869 0.005 . . . . . . A 5 MMO HCB2 . 30382 1
42 . 1 1 5 5 MMO HCG1 H 1 0.666 0.003 . . . . . . A 5 MMO HCG1 . 30382 1
43 . 1 1 5 5 MMO HE H 1 6.802 0.003 . . . . . . A 5 MMO HE . 30382 1
44 . 1 1 5 5 MMO NE N 15 119.704 0.000 . . . . . . A 5 MMO NE . 30382 1
45 . 1 1 6 6 TRP H H 1 8.056 0.006 . . . . . . A 6 TRP H . 30382 1
46 . 1 1 6 6 TRP HA H 1 4.535 0.004 . . . . . . A 6 TRP HA . 30382 1
47 . 1 1 6 6 TRP HB2 H 1 3.160 0.006 . . . . . . A 6 TRP HB2 . 30382 1
48 . 1 1 6 6 TRP HB3 H 1 3.041 0.005 . . . . . . A 6 TRP HB3 . 30382 1
49 . 1 1 6 6 TRP HD1 H 1 7.087 0.004 . . . . . . A 6 TRP HD1 . 30382 1
50 . 1 1 6 6 TRP HE1 H 1 9.964 0.000 . . . . . . A 6 TRP HE1 . 30382 1
51 . 1 1 6 6 TRP HE3 H 1 7.531 0.004 . . . . . . A 6 TRP HE3 . 30382 1
52 . 1 1 6 6 TRP HZ2 H 1 7.387 0.000 . . . . . . A 6 TRP HZ2 . 30382 1
53 . 1 1 6 6 TRP HZ3 H 1 7.055 0.000 . . . . . . A 6 TRP HZ3 . 30382 1
54 . 1 1 6 6 TRP CA C 13 55.678 0.000 . . . . . . A 6 TRP CA . 30382 1
55 . 1 1 6 6 TRP CB C 13 27.352 0.012 . . . . . . A 6 TRP CB . 30382 1
56 . 1 1 6 6 TRP N N 15 119.204 0.000 . . . . . . A 6 TRP N . 30382 1
57 . 1 1 6 6 TRP NE1 N 15 128.467 0.000 . . . . . . A 6 TRP NE1 . 30382 1
58 . 1 1 7 7 PRO HA H 1 3.987 0.004 . . . . . . A 7 PRO HA . 30382 1
59 . 1 1 7 7 PRO HB2 H 1 1.918 0.003 . . . . . . A 7 PRO HB2 . 30382 1
60 . 1 1 7 7 PRO HB3 H 1 1.678 0.005 . . . . . . A 7 PRO HB3 . 30382 1
61 . 1 1 7 7 PRO HG2 H 1 1.888 0.002 . . . . . . A 7 PRO HG2 . 30382 1
62 . 1 1 7 7 PRO HG3 H 1 1.783 0.002 . . . . . . A 7 PRO HG3 . 30382 1
63 . 1 1 7 7 PRO HD2 H 1 3.512 0.002 . . . . . . A 7 PRO HD2 . 30382 1
64 . 1 1 7 7 PRO HD3 H 1 3.389 0.003 . . . . . . A 7 PRO HD3 . 30382 1
65 . 1 1 7 7 PRO CA C 13 63.246 0.000 . . . . . . A 7 PRO CA . 30382 1
66 . 1 1 7 7 PRO CB C 13 32.518 0.036 . . . . . . A 7 PRO CB . 30382 1
67 . 1 1 7 7 PRO CG C 13 27.388 0.024 . . . . . . A 7 PRO CG . 30382 1
68 . 1 1 7 7 PRO CD C 13 50.284 0.012 . . . . . . A 7 PRO CD . 30382 1
69 . 1 1 8 8 ILE H H 1 7.998 0.002 . . . . . . A 8 ILE H . 30382 1
70 . 1 1 8 8 ILE HA H 1 4.177 0.004 . . . . . . A 8 ILE HA . 30382 1
71 . 1 1 8 8 ILE HB H 1 1.556 0.004 . . . . . . A 8 ILE HB . 30382 1
72 . 1 1 8 8 ILE HG12 H 1 1.283 0.008 . . . . . . A 8 ILE HG12 . 30382 1
73 . 1 1 8 8 ILE HG13 H 1 0.895 0.003 . . . . . . A 8 ILE HG13 . 30382 1
74 . 1 1 8 8 ILE HG21 H 1 0.691 0.010 . . . . . . A 8 ILE HG21 . 30382 1
75 . 1 1 8 8 ILE HG22 H 1 0.691 0.010 . . . . . . A 8 ILE HG22 . 30382 1
76 . 1 1 8 8 ILE HG23 H 1 0.691 0.010 . . . . . . A 8 ILE HG23 . 30382 1
77 . 1 1 8 8 ILE HD11 H 1 0.506 0.008 . . . . . . A 8 ILE HD11 . 30382 1
78 . 1 1 8 8 ILE HD12 H 1 0.506 0.008 . . . . . . A 8 ILE HD12 . 30382 1
79 . 1 1 8 8 ILE HD13 H 1 0.506 0.008 . . . . . . A 8 ILE HD13 . 30382 1
80 . 1 1 8 8 ILE CA C 13 59.882 0.000 . . . . . . A 8 ILE CA . 30382 1
81 . 1 1 8 8 ILE CB C 13 41.011 0.000 . . . . . . A 8 ILE CB . 30382 1
82 . 1 1 8 8 ILE CG1 C 13 26.896 0.012 . . . . . . A 8 ILE CG1 . 30382 1
83 . 1 1 8 8 ILE CD1 C 13 17.401 0.000 . . . . . . A 8 ILE CD1 . 30382 1
84 . 1 1 8 8 ILE N N 15 121.470 0.000 . . . . . . A 8 ILE N . 30382 1
85 . 1 1 9 9 CYS H H 1 8.252 0.003 . . . . . . A 9 CYS H . 30382 1
86 . 1 1 9 9 CYS HA H 1 5.231 0.010 . . . . . . A 9 CYS HA . 30382 1
87 . 1 1 9 9 CYS HB2 H 1 2.801 0.005 . . . . . . A 9 CYS HB2 . 30382 1
88 . 1 1 9 9 CYS HB3 H 1 2.731 0.003 . . . . . . A 9 CYS HB3 . 30382 1
89 . 1 1 9 9 CYS CA C 13 55.389 0.000 . . . . . . A 9 CYS CA . 30382 1
90 . 1 1 9 9 CYS CB C 13 46.320 0.012 . . . . . . A 9 CYS CB . 30382 1
91 . 1 1 9 9 CYS N N 15 121.137 0.000 . . . . . . A 9 CYS N . 30382 1
92 . 1 1 10 10 PHE H H 1 8.819 0.013 . . . . . . A 10 PHE H . 30382 1
93 . 1 1 10 10 PHE HA H 1 4.767 0.012 . . . . . . A 10 PHE HA . 30382 1
94 . 1 1 10 10 PHE HB2 H 1 3.297 0.002 . . . . . . A 10 PHE HB2 . 30382 1
95 . 1 1 10 10 PHE HB3 H 1 2.966 0.016 . . . . . . A 10 PHE HB3 . 30382 1
96 . 1 1 10 10 PHE HD1 H 1 7.201 0.005 . . . . . . A 10 PHE HD1 . 30382 1
97 . 1 1 10 10 PHE HD2 H 1 7.201 0.005 . . . . . . A 10 PHE HD2 . 30382 1
98 . 1 1 10 10 PHE CA C 13 56.783 0.000 . . . . . . A 10 PHE CA . 30382 1
99 . 1 1 10 10 PHE CB C 13 38.843 0.000 . . . . . . A 10 PHE CB . 30382 1
100 . 1 1 10 10 PHE N N 15 122.736 0.000 . . . . . . A 10 PHE N . 30382 1
101 . 1 1 11 11 PRO HA H 1 4.321 0.010 . . . . . . A 11 PRO HA . 30382 1
102 . 1 1 11 11 PRO HB2 H 1 2.373 0.005 . . . . . . A 11 PRO HB2 . 30382 1
103 . 1 1 11 11 PRO HB3 H 1 1.916 0.007 . . . . . . A 11 PRO HB3 . 30382 1
104 . 1 1 11 11 PRO HG2 H 1 2.117 0.007 . . . . . . A 11 PRO HG2 . 30382 1
105 . 1 1 11 11 PRO HG3 H 1 2.011 0.006 . . . . . . A 11 PRO HG3 . 30382 1
106 . 1 1 11 11 PRO HD2 H 1 3.966 0.006 . . . . . . A 11 PRO HD2 . 30382 1
107 . 1 1 11 11 PRO HD3 H 1 3.966 0.006 . . . . . . A 11 PRO HD3 . 30382 1
108 . 1 1 11 11 PRO CA C 13 61.372 0.000 . . . . . . A 11 PRO CA . 30382 1
109 . 1 1 11 11 PRO CB C 13 31.701 0.012 . . . . . . A 11 PRO CB . 30382 1
110 . 1 1 11 11 PRO CG C 13 27.689 0.012 . . . . . . A 11 PRO CG . 30382 1
111 . 1 1 11 11 PRO CD C 13 51.089 0.000 . . . . . . A 11 PRO CD . 30382 1
112 . 1 1 12 12 ASP H H 1 7.790 0.004 . . . . . . A 12 ASP H . 30382 1
113 . 1 1 12 12 ASP HA H 1 4.469 0.004 . . . . . . A 12 ASP HA . 30382 1
114 . 1 1 12 12 ASP HB2 H 1 3.087 0.006 . . . . . . A 12 ASP HB2 . 30382 1
115 . 1 1 12 12 ASP HB3 H 1 2.731 0.001 . . . . . . A 12 ASP HB3 . 30382 1
116 . 1 1 12 12 ASP CA C 13 53.035 0.000 . . . . . . A 12 ASP CA . 30382 1
117 . 1 1 13 13 GLY H H 1 8.357 0.010 . . . . . . A 13 GLY H . 30382 1
118 . 1 1 13 13 GLY HA2 H 1 3.678 0.007 . . . . . . A 13 GLY HA2 . 30382 1
119 . 1 1 13 13 GLY HA3 H 1 4.258 0.013 . . . . . . A 13 GLY HA3 . 30382 1
120 . 1 1 13 13 GLY CA C 13 45.203 0.000 . . . . . . A 13 GLY CA . 30382 1
121 . 1 1 13 13 GLY N N 15 108.509 0.000 . . . . . . A 13 GLY N . 30382 1
122 . 1 1 14 14 ARG H H 1 7.675 0.003 . . . . . . A 14 ARG H . 30382 1
123 . 1 1 14 14 ARG HA H 1 4.349 0.007 . . . . . . A 14 ARG HA . 30382 1
124 . 1 1 14 14 ARG HB2 H 1 1.881 0.006 . . . . . . A 14 ARG HB2 . 30382 1
125 . 1 1 14 14 ARG HB3 H 1 1.801 0.006 . . . . . . A 14 ARG HB3 . 30382 1
126 . 1 1 14 14 ARG HG2 H 1 1.503 0.008 . . . . . . A 14 ARG HG2 . 30382 1
127 . 1 1 14 14 ARG HG3 H 1 1.503 0.008 . . . . . . A 14 ARG HG3 . 30382 1
128 . 1 1 14 14 ARG HD2 H 1 3.096 0.003 . . . . . . A 14 ARG HD2 . 30382 1
129 . 1 1 14 14 ARG HD3 H 1 3.096 0.003 . . . . . . A 14 ARG HD3 . 30382 1
130 . 1 1 14 14 ARG HE H 1 7.389 0.002 . . . . . . A 14 ARG HE . 30382 1
131 . 1 1 14 14 ARG CA C 13 56.134 0.000 . . . . . . A 14 ARG CA . 30382 1
132 . 1 1 14 14 ARG CB C 13 30.890 0.010 . . . . . . A 14 ARG CB . 30382 1
133 . 1 1 14 14 ARG CG C 13 27.653 0.000 . . . . . . A 14 ARG CG . 30382 1
134 . 1 1 14 14 ARG CD C 13 43.287 0.000 . . . . . . A 14 ARG CD . 30382 1
stop_
save_