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 30274
_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' . . isotropic 30274 1
2 '2D 1H-1H COSY' . . isotropic 30274 1
3 '2D 1H-1H NOESY' . . isotropic 30274 1
4 '2D 1H-15N HSQC' . . isotropic 30274 1
5 '2D 1H-13C HSQC' . . isotropic 30274 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 GLY H H 1 8.341 0.005 . 1 . . . . A 1 GLY H1 . 30274 1
2 . 1 1 1 1 GLY HA2 H 1 4.485 0.000 . 2 . . . . A 1 GLY HA2 . 30274 1
3 . 1 1 1 1 GLY HA3 H 1 3.751 0.007 . 2 . . . . A 1 GLY HA3 . 30274 1
4 . 1 1 1 1 GLY CA C 13 45.300 0.027 . 1 . . . . A 1 GLY CA . 30274 1
5 . 1 1 1 1 GLY N N 15 108.517 0.000 . 1 . . . . A 1 GLY N . 30274 1
6 . 1 1 2 2 ARG H H 1 7.874 0.002 . 1 . . . . A 2 ARG H . 30274 1
7 . 1 1 2 2 ARG HA H 1 4.434 0.000 . 1 . . . . A 2 ARG HA . 30274 1
8 . 1 1 2 2 ARG HB2 H 1 1.900 0.000 . 2 . . . . A 2 ARG HB2 . 30274 1
9 . 1 1 2 2 ARG HB3 H 1 2.033 0.000 . 2 . . . . A 2 ARG HB3 . 30274 1
10 . 1 1 2 2 ARG HG2 H 1 1.512 0.002 . 2 . . . . A 2 ARG HG2 . 30274 1
11 . 1 1 2 2 ARG HG3 H 1 1.512 0.002 . 2 . . . . A 2 ARG HG3 . 30274 1
12 . 1 1 2 2 ARG HD2 H 1 3.110 0.002 . 2 . . . . A 2 ARG HD2 . 30274 1
13 . 1 1 2 2 ARG HD3 H 1 3.110 0.002 . 2 . . . . A 2 ARG HD3 . 30274 1
14 . 1 1 2 2 ARG HE H 1 7.541 0.002 . 1 . . . . A 2 ARG HE . 30274 1
15 . 1 1 2 2 ARG CB C 13 31.231 0.010 . 1 . . . . A 2 ARG CB . 30274 1
16 . 1 1 2 2 ARG CG C 13 27.836 0.000 . 1 . . . . A 2 ARG CG . 30274 1
17 . 1 1 2 2 ARG CD C 13 43.524 0.000 . 1 . . . . A 2 ARG CD . 30274 1
18 . 1 1 2 2 ARG N N 15 121.112 0.000 . 1 . . . . A 2 ARG N . 30274 1
19 . 1 1 2 2 ARG NE N 15 126.315 0.000 . 1 . . . . A 2 ARG NE . 30274 1
20 . 1 1 3 3 CYS H H 1 8.581 0.003 . 1 . . . . A 3 CYS H . 30274 1
21 . 1 1 3 3 CYS HA H 1 5.798 0.002 . 1 . . . . A 3 CYS HA . 30274 1
22 . 1 1 3 3 CYS HB2 H 1 3.093 0.002 . 2 . . . . A 3 CYS HB2 . 30274 1
23 . 1 1 3 3 CYS HB3 H 1 2.908 0.000 . 2 . . . . A 3 CYS HB3 . 30274 1
24 . 1 1 3 3 CYS CA C 13 55.810 0.000 . 1 . . . . A 3 CYS CA . 30274 1
25 . 1 1 3 3 CYS CB C 13 48.848 0.019 . 1 . . . . A 3 CYS CB . 30274 1
26 . 1 1 3 3 CYS N N 15 119.359 0.000 . 1 . . . . A 3 CYS N . 30274 1
27 . 1 1 4 4 THR H H 1 9.088 0.001 . 1 . . . . A 4 THR H . 30274 1
28 . 1 1 4 4 THR HA H 1 4.480 0.004 . 1 . . . . A 4 THR HA . 30274 1
29 . 1 1 4 4 THR HB H 1 4.535 0.001 . 1 . . . . A 4 THR HB . 30274 1
30 . 1 1 4 4 THR HG21 H 1 1.334 0.001 . 1 . . . . A 4 THR HG21 . 30274 1
31 . 1 1 4 4 THR HG22 H 1 1.334 0.001 . 1 . . . . A 4 THR HG22 . 30274 1
32 . 1 1 4 4 THR HG23 H 1 1.334 0.001 . 1 . . . . A 4 THR HG23 . 30274 1
33 . 1 1 4 4 THR CA C 13 61.439 0.000 . 1 . . . . A 4 THR CA . 30274 1
34 . 1 1 4 4 THR CB C 13 70.040 0.000 . 1 . . . . A 4 THR CB . 30274 1
35 . 1 1 4 4 THR CG2 C 13 22.534 0.000 . 1 . . . . A 4 THR CG2 . 30274 1
36 . 1 1 4 4 THR N N 15 114.209 0.000 . 1 . . . . A 4 THR N . 30274 1
37 . 1 1 5 5 GLN H H 1 8.300 0.003 . 1 . . . . A 5 GLN H . 30274 1
38 . 1 1 5 5 GLN HA H 1 4.436 0.000 . 1 . . . . A 5 GLN HA . 30274 1
39 . 1 1 5 5 GLN HB2 H 1 2.218 0.003 . 2 . . . . A 5 GLN HB2 . 30274 1
40 . 1 1 5 5 GLN HB3 H 1 1.994 0.002 . 2 . . . . A 5 GLN HB3 . 30274 1
41 . 1 1 5 5 GLN HG2 H 1 2.266 0.002 . 2 . . . . A 5 GLN HG2 . 30274 1
42 . 1 1 5 5 GLN HG3 H 1 2.266 0.002 . 2 . . . . A 5 GLN HG3 . 30274 1
43 . 1 1 5 5 GLN HE21 H 1 7.593 0.003 . 2 . . . . A 5 GLN HE21 . 30274 1
44 . 1 1 5 5 GLN HE22 H 1 6.829 0.003 . 2 . . . . A 5 GLN HE22 . 30274 1
45 . 1 1 5 5 GLN CB C 13 29.349 0.009 . 1 . . . . A 5 GLN CB . 30274 1
46 . 1 1 5 5 GLN CG C 13 34.232 0.000 . 1 . . . . A 5 GLN CG . 30274 1
47 . 1 1 5 5 GLN N N 15 118.685 0.000 . 1 . . . . A 5 GLN N . 30274 1
48 . 1 1 5 5 GLN NE2 N 15 112.997 0.012 . 1 . . . . A 5 GLN NE2 . 30274 1
49 . 1 1 6 6 ALA H H 1 7.509 0.001 . 1 . . . . A 6 ALA H . 30274 1
50 . 1 1 6 6 ALA HA H 1 4.324 0.000 . 1 . . . . A 6 ALA HA . 30274 1
51 . 1 1 6 6 ALA HB1 H 1 1.263 0.001 . 1 . . . . A 6 ALA HB1 . 30274 1
52 . 1 1 6 6 ALA HB2 H 1 1.263 0.001 . 1 . . . . A 6 ALA HB2 . 30274 1
53 . 1 1 6 6 ALA HB3 H 1 1.263 0.001 . 1 . . . . A 6 ALA HB3 . 30274 1
54 . 1 1 6 6 ALA CA C 13 52.143 0.000 . 1 . . . . A 6 ALA CA . 30274 1
55 . 1 1 6 6 ALA CB C 13 20.589 0.000 . 1 . . . . A 6 ALA CB . 30274 1
56 . 1 1 6 6 ALA N N 15 124.158 0.000 . 1 . . . . A 6 ALA N . 30274 1
57 . 1 1 7 7 TRP H H 1 8.204 0.003 . 1 . . . . A 7 TRP H . 30274 1
58 . 1 1 7 7 TRP HA H 1 4.716 0.000 . 1 . . . . A 7 TRP HA . 30274 1
59 . 1 1 7 7 TRP HB2 H 1 3.079 0.000 . 2 . . . . A 7 TRP HB2 . 30274 1
60 . 1 1 7 7 TRP HB3 H 1 3.079 0.000 . 2 . . . . A 7 TRP HB3 . 30274 1
61 . 1 1 7 7 TRP HD1 H 1 7.222 0.003 . 1 . . . . A 7 TRP HD1 . 30274 1
62 . 1 1 7 7 TRP HE1 H 1 10.157 0.004 . 1 . . . . A 7 TRP HE1 . 30274 1
63 . 1 1 7 7 TRP HE3 H 1 7.728 0.003 . 1 . . . . A 7 TRP HE3 . 30274 1
64 . 1 1 7 7 TRP HZ2 H 1 7.529 0.006 . 1 . . . . A 7 TRP HZ2 . 30274 1
65 . 1 1 7 7 TRP HZ3 H 1 7.211 0.000 . 1 . . . . A 7 TRP HZ3 . 30274 1
66 . 1 1 7 7 TRP HH2 H 1 7.279 0.000 . 1 . . . . A 7 TRP HH2 . 30274 1
67 . 1 1 7 7 TRP CB C 13 31.163 0.000 . 1 . . . . A 7 TRP CB . 30274 1
68 . 1 1 7 7 TRP CD1 C 13 122.346 0.000 . 1 . . . . A 7 TRP CD1 . 30274 1
69 . 1 1 7 7 TRP CZ2 C 13 114.788 0.000 . 1 . . . . A 7 TRP CZ2 . 30274 1
70 . 1 1 7 7 TRP N N 15 118.404 0.000 . 1 . . . . A 7 TRP N . 30274 1
71 . 1 1 7 7 TRP NE1 N 15 129.274 0.000 . 1 . . . . A 7 TRP NE1 . 30274 1
72 . 1 1 8 8 PRO HA H 1 3.845 0.002 . 1 . . . . A 8 PRO HA . 30274 1
73 . 1 1 8 8 PRO HB2 H 1 1.554 0.003 . 2 . . . . A 8 PRO HB2 . 30274 1
74 . 1 1 8 8 PRO HB3 H 1 1.554 0.003 . 2 . . . . A 8 PRO HB3 . 30274 1
75 . 1 1 8 8 PRO HG2 H 1 1.366 0.004 . 2 . . . . A 8 PRO HG2 . 30274 1
76 . 1 1 8 8 PRO HG3 H 1 1.366 0.004 . 2 . . . . A 8 PRO HG3 . 30274 1
77 . 1 1 8 8 PRO HD2 H 1 3.413 0.003 . 2 . . . . A 8 PRO HD2 . 30274 1
78 . 1 1 8 8 PRO HD3 H 1 3.221 0.002 . 2 . . . . A 8 PRO HD3 . 30274 1
79 . 1 1 9 9 PRO HA H 1 4.158 0.002 . 1 . . . . A 9 PRO HA . 30274 1
80 . 1 1 9 9 PRO HB2 H 1 2.305 0.002 . 2 . . . . A 9 PRO HB2 . 30274 1
81 . 1 1 9 9 PRO HB3 H 1 1.772 0.004 . 2 . . . . A 9 PRO HB3 . 30274 1
82 . 1 1 9 9 PRO HG2 H 1 1.909 0.002 . 2 . . . . A 9 PRO HG2 . 30274 1
83 . 1 1 9 9 PRO HG3 H 1 1.909 0.002 . 2 . . . . A 9 PRO HG3 . 30274 1
84 . 1 1 9 9 PRO HD2 H 1 3.313 0.016 . 2 . . . . A 9 PRO HD2 . 30274 1
85 . 1 1 9 9 PRO HD3 H 1 3.267 0.002 . 2 . . . . A 9 PRO HD3 . 30274 1
86 . 1 1 9 9 PRO CA C 13 63.543 0.000 . 1 . . . . A 9 PRO CA . 30274 1
87 . 1 1 9 9 PRO CD C 13 50.048 0.000 . 1 . . . . A 9 PRO CD . 30274 1
88 . 1 1 10 10 ILE H H 1 7.761 0.001 . 1 . . . . A 10 ILE H . 30274 1
89 . 1 1 10 10 ILE HA H 1 4.112 0.001 . 1 . . . . A 10 ILE HA . 30274 1
90 . 1 1 10 10 ILE HB H 1 1.736 0.000 . 1 . . . . A 10 ILE HB . 30274 1
91 . 1 1 10 10 ILE HG12 H 1 1.374 0.000 . 2 . . . . A 10 ILE HG12 . 30274 1
92 . 1 1 10 10 ILE HG13 H 1 0.996 0.001 . 2 . . . . A 10 ILE HG13 . 30274 1
93 . 1 1 10 10 ILE HG21 H 1 0.628 0.001 . 1 . . . . A 10 ILE HG21 . 30274 1
94 . 1 1 10 10 ILE HG22 H 1 0.628 0.001 . 1 . . . . A 10 ILE HG22 . 30274 1
95 . 1 1 10 10 ILE HG23 H 1 0.628 0.001 . 1 . . . . A 10 ILE HG23 . 30274 1
96 . 1 1 10 10 ILE HD11 H 1 0.468 0.000 . 1 . . . . A 10 ILE HD11 . 30274 1
97 . 1 1 10 10 ILE HD12 H 1 0.468 0.000 . 1 . . . . A 10 ILE HD12 . 30274 1
98 . 1 1 10 10 ILE HD13 H 1 0.468 0.000 . 1 . . . . A 10 ILE HD13 . 30274 1
99 . 1 1 10 10 ILE CA C 13 60.605 0.000 . 1 . . . . A 10 ILE CA . 30274 1
100 . 1 1 10 10 ILE CB C 13 38.690 0.000 . 1 . . . . A 10 ILE CB . 30274 1
101 . 1 1 10 10 ILE CG1 C 13 26.919 0.000 . 1 . . . . A 10 ILE CG1 . 30274 1
102 . 1 1 10 10 ILE CG2 C 13 12.372 0.000 . 1 . . . . A 10 ILE CG2 . 30274 1
103 . 1 1 10 10 ILE CD1 C 13 17.286 0.000 . 1 . . . . A 10 ILE CD1 . 30274 1
104 . 1 1 10 10 ILE N N 15 123.439 0.000 . 1 . . . . A 10 ILE N . 30274 1
105 . 1 1 11 11 CYS H H 1 8.409 0.001 . 1 . . . . A 11 CYS H . 30274 1
106 . 1 1 11 11 CYS HA H 1 5.386 0.002 . 1 . . . . A 11 CYS HA . 30274 1
107 . 1 1 11 11 CYS HB2 H 1 2.902 0.004 . 2 . . . . A 11 CYS HB2 . 30274 1
108 . 1 1 11 11 CYS HB3 H 1 2.845 0.005 . 2 . . . . A 11 CYS HB3 . 30274 1
109 . 1 1 11 11 CYS CA C 13 55.415 0.000 . 1 . . . . A 11 CYS CA . 30274 1
110 . 1 1 11 11 CYS CB C 13 47.671 0.007 . 1 . . . . A 11 CYS CB . 30274 1
111 . 1 1 11 11 CYS N N 15 123.337 0.000 . 1 . . . . A 11 CYS N . 30274 1
112 . 1 1 12 12 PHE H H 1 8.902 0.008 . 1 . . . . A 12 PHE H . 30274 1
113 . 1 1 12 12 PHE HA H 1 4.911 0.000 . 1 . . . . A 12 PHE HA . 30274 1
114 . 1 1 12 12 PHE HB2 H 1 3.414 0.001 . 2 . . . . A 12 PHE HB2 . 30274 1
115 . 1 1 12 12 PHE HB3 H 1 3.093 0.001 . 2 . . . . A 12 PHE HB3 . 30274 1
116 . 1 1 12 12 PHE HD1 H 1 7.193 0.002 . 1 . . . . A 12 PHE HD1 . 30274 1
117 . 1 1 12 12 PHE HD2 H 1 7.193 0.002 . 1 . . . . A 12 PHE HD2 . 30274 1
118 . 1 1 12 12 PHE CB C 13 39.388 0.016 . 1 . . . . A 12 PHE CB . 30274 1
119 . 1 1 12 12 PHE N N 15 122.174 0.000 . 1 . . . . A 12 PHE N . 30274 1
120 . 1 1 13 13 PRO HA H 1 4.428 0.005 . 1 . . . . A 13 PRO HA . 30274 1
121 . 1 1 13 13 PRO HB2 H 1 2.482 0.000 . 2 . . . . A 13 PRO HB2 . 30274 1
122 . 1 1 13 13 PRO HB3 H 1 2.031 0.003 . 2 . . . . A 13 PRO HB3 . 30274 1
123 . 1 1 13 13 PRO HG2 H 1 2.221 0.000 . 2 . . . . A 13 PRO HG2 . 30274 1
124 . 1 1 13 13 PRO HG3 H 1 2.116 0.001 . 2 . . . . A 13 PRO HG3 . 30274 1
125 . 1 1 13 13 PRO HD2 H 1 3.978 0.005 . 2 . . . . A 13 PRO HD2 . 30274 1
126 . 1 1 13 13 PRO HD3 H 1 3.978 0.005 . 2 . . . . A 13 PRO HD3 . 30274 1
127 . 1 1 13 13 PRO CA C 13 65.348 0.000 . 1 . . . . A 13 PRO CA . 30274 1
128 . 1 1 13 13 PRO CD C 13 51.259 0.000 . 1 . . . . A 13 PRO CD . 30274 1
129 . 1 1 14 14 ASP H H 1 7.835 0.008 . 1 . . . . A 14 ASP H . 30274 1
130 . 1 1 14 14 ASP HA H 1 4.537 0.000 . 1 . . . . A 14 ASP HA . 30274 1
131 . 1 1 14 14 ASP HB2 H 1 3.127 0.000 . 2 . . . . A 14 ASP HB2 . 30274 1
132 . 1 1 14 14 ASP HB3 H 1 2.737 0.000 . 2 . . . . A 14 ASP HB3 . 30274 1
133 . 1 1 14 14 ASP CA C 13 53.564 0.000 . 1 . . . . A 14 ASP CA . 30274 1
134 . 1 1 14 14 ASP N N 15 113.636 0.000 . 1 . . . . A 14 ASP N . 30274 1
stop_
save_