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 30668
_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 '2D 1H-1H TOCSY' . . . 30668 1
2 '2D 1H-1H NOESY' . . . 30668 1
3 '2D 1H-15N HSQC' . . . 30668 1
4 '2D 1H-13C HSQC' . . . 30668 1
5 '2D 1H-1H E.COSY' . . . 30668 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 H H 1 8.391 0.001 . . . . . . A 1 GLY H1 . 30668 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.745 0.016 . . . . . . A 1 GLY HA2 . 30668 1
3 . 1 . 1 1 1 GLY HA3 H 1 4.377 0.012 . . . . . . A 1 GLY HA3 . 30668 1
4 . 1 . 1 1 1 GLY CA C 13 42.339 0.005 . . . . . . A 1 GLY CA . 30668 1
5 . 1 . 1 1 1 GLY N N 15 108.352 0.000 . . . . . . A 1 GLY N . 30668 1
6 . 1 . 1 2 2 ARG H H 1 7.847 0.002 . . . . . . A 2 ARG H . 30668 1
7 . 1 . 1 2 2 ARG HA H 1 4.363 0.013 . . . . . . A 2 ARG HA . 30668 1
8 . 1 . 1 2 2 ARG HB2 H 1 2.029 0.006 . . . . . . A 2 ARG HB2 . 30668 1
9 . 1 . 1 2 2 ARG HB3 H 1 1.751 0.008 . . . . . . A 2 ARG HB3 . 30668 1
10 . 1 . 1 2 2 ARG HG2 H 1 1.592 0.003 . . . . . . A 2 ARG HG2 . 30668 1
11 . 1 . 1 2 2 ARG HG3 H 1 1.592 0.004 . . . . . . A 2 ARG HG3 . 30668 1
12 . 1 . 1 2 2 ARG HD2 H 1 3.207 0.017 . . . . . . A 2 ARG HD2 . 30668 1
13 . 1 . 1 2 2 ARG HD3 H 1 3.195 0.011 . . . . . . A 2 ARG HD3 . 30668 1
14 . 1 . 1 2 2 ARG HE H 1 7.729 0.012 . . . . . . A 2 ARG HE . 30668 1
15 . 1 . 1 2 2 ARG CA C 13 53.636 0.000 . . . . . . A 2 ARG CA . 30668 1
16 . 1 . 1 2 2 ARG CB C 13 28.329 0.020 . . . . . . A 2 ARG CB . 30668 1
17 . 1 . 1 2 2 ARG CG C 13 24.901 0.000 . . . . . . A 2 ARG CG . 30668 1
18 . 1 . 1 2 2 ARG CD C 13 40.572 0.000 . . . . . . A 2 ARG CD . 30668 1
19 . 1 . 1 2 2 ARG N N 15 121.201 0.000 . . . . . . A 2 ARG N . 30668 1
20 . 1 . 1 2 2 ARG NE N 15 125.758 0.000 . . . . . . A 2 ARG NE . 30668 1
21 . 1 . 1 3 3 CYS H H 1 8.370 0.003 . . . . . . A 3 CYS H . 30668 1
22 . 1 . 1 3 3 CYS HA H 1 5.619 0.006 . . . . . . A 3 CYS HA . 30668 1
23 . 1 . 1 3 3 CYS HB2 H 1 3.014 0.005 . . . . . . A 3 CYS HB2 . 30668 1
24 . 1 . 1 3 3 CYS HB3 H 1 2.862 0.005 . . . . . . A 3 CYS HB3 . 30668 1
25 . 1 . 1 3 3 CYS CA C 13 53.267 0.000 . . . . . . A 3 CYS CA . 30668 1
26 . 1 . 1 3 3 CYS CB C 13 45.735 0.019 . . . . . . A 3 CYS CB . 30668 1
27 . 1 . 1 3 3 CYS N N 15 118.983 0.000 . . . . . . A 3 CYS N . 30668 1
28 . 1 . 1 4 4 TYR H H 1 9.213 0.003 . . . . . . A 4 TYR H . 30668 1
29 . 1 . 1 4 4 TYR HA H 1 4.842 0.009 . . . . . . A 4 TYR HA . 30668 1
30 . 1 . 1 4 4 TYR HB2 H 1 3.185 0.004 . . . . . . A 4 TYR HB2 . 30668 1
31 . 1 . 1 4 4 TYR HB3 H 1 3.012 0.007 . . . . . . A 4 TYR HB3 . 30668 1
32 . 1 . 1 4 4 TYR HD1 H 1 7.181 0.008 . . . . . . A 4 TYR HD1 . 30668 1
33 . 1 . 1 4 4 TYR HD2 H 1 7.181 0.008 . . . . . . A 4 TYR HD2 . 30668 1
34 . 1 . 1 4 4 TYR HE1 H 1 6.808 0.006 . . . . . . A 4 TYR HE1 . 30668 1
35 . 1 . 1 4 4 TYR HE2 H 1 6.808 0.006 . . . . . . A 4 TYR HE2 . 30668 1
36 . 1 . 1 4 4 TYR CA C 13 53.629 0.000 . . . . . . A 4 TYR CA . 30668 1
37 . 1 . 1 4 4 TYR CB C 13 37.163 0.033 . . . . . . A 4 TYR CB . 30668 1
38 . 1 . 1 4 4 TYR N N 15 122.230 0.000 . . . . . . A 4 TYR N . 30668 1
39 . 1 . 1 5 5 LYS H H 1 8.677 0.001 . . . . . . A 5 LYS H . 30668 1
40 . 1 . 1 5 5 LYS HA H 1 4.388 0.003 . . . . . . A 5 LYS HA . 30668 1
41 . 1 . 1 5 5 LYS HB2 H 1 1.967 0.010 . . . . . . A 5 LYS HB2 . 30668 1
42 . 1 . 1 5 5 LYS HB3 H 1 1.765 0.006 . . . . . . A 5 LYS HB3 . 30668 1
43 . 1 . 1 5 5 LYS HG2 H 1 1.506 0.007 . . . . . . A 5 LYS HG2 . 30668 1
44 . 1 . 1 5 5 LYS HG3 H 1 1.401 0.006 . . . . . . A 5 LYS HG3 . 30668 1
45 . 1 . 1 5 5 LYS HD2 H 1 1.722 0.002 . . . . . . A 5 LYS HD2 . 30668 1
46 . 1 . 1 5 5 LYS HD3 H 1 1.735 0.016 . . . . . . A 5 LYS HD3 . 30668 1
47 . 1 . 1 5 5 LYS HE2 H 1 3.031 0.002 . . . . . . A 5 LYS HE2 . 30668 1
48 . 1 . 1 5 5 LYS HE3 H 1 3.031 0.002 . . . . . . A 5 LYS HE3 . 30668 1
49 . 1 . 1 5 5 LYS CA C 13 53.636 0.000 . . . . . . A 5 LYS CA . 30668 1
50 . 1 . 1 5 5 LYS CB C 13 28.188 0.014 . . . . . . A 5 LYS CB . 30668 1
51 . 1 . 1 5 5 LYS CG C 13 22.271 0.020 . . . . . . A 5 LYS CG . 30668 1
52 . 1 . 1 5 5 LYS CD C 13 26.361 0.000 . . . . . . A 5 LYS CD . 30668 1
53 . 1 . 1 5 5 LYS CE C 13 39.223 0.000 . . . . . . A 5 LYS CE . 30668 1
54 . 1 . 1 5 5 LYS N N 15 124.486 0.000 . . . . . . A 5 LYS N . 30668 1
55 . 1 . 1 6 6 SER H H 1 7.623 0.002 . . . . . . A 6 SER H . 30668 1
56 . 1 . 1 6 6 SER HA H 1 4.423 0.003 . . . . . . A 6 SER HA . 30668 1
57 . 1 . 1 6 6 SER HB2 H 1 3.989 0.004 . . . . . . A 6 SER HB2 . 30668 1
58 . 1 . 1 6 6 SER HB3 H 1 3.795 0.002 . . . . . . A 6 SER HB3 . 30668 1
59 . 1 . 1 6 6 SER CA C 13 54.610 0.000 . . . . . . A 6 SER CA . 30668 1
60 . 1 . 1 6 6 SER CB C 13 62.007 0.003 . . . . . . A 6 SER CB . 30668 1
61 . 1 . 1 6 6 SER N N 15 115.311 0.000 . . . . . . A 6 SER N . 30668 1
62 . 1 . 1 7 7 LYS H H 1 8.253 0.004 . . . . . . A 7 LYS H . 30668 1
63 . 1 . 1 7 7 LYS HA H 1 4.644 0.007 . . . . . . A 7 LYS HA . 30668 1
64 . 1 . 1 7 7 LYS HB2 H 1 1.767 0.016 . . . . . . A 7 LYS HB2 . 30668 1
65 . 1 . 1 7 7 LYS HB3 H 1 1.716 0.013 . . . . . . A 7 LYS HB3 . 30668 1
66 . 1 . 1 7 7 LYS HG2 H 1 1.406 0.005 . . . . . . A 7 LYS HG2 . 30668 1
67 . 1 . 1 7 7 LYS HG3 H 1 1.284 0.007 . . . . . . A 7 LYS HG3 . 30668 1
68 . 1 . 1 7 7 LYS HD2 H 1 1.701 0.004 . . . . . . A 7 LYS HD2 . 30668 1
69 . 1 . 1 7 7 LYS HE2 H 1 3.008 0.009 . . . . . . A 7 LYS HE2 . 30668 1
70 . 1 . 1 7 7 LYS HE3 H 1 3.006 0.011 . . . . . . A 7 LYS HE3 . 30668 1
71 . 1 . 1 7 7 LYS CA C 13 50.466 0.000 . . . . . . A 7 LYS CA . 30668 1
72 . 1 . 1 7 7 LYS CB C 13 30.976 0.005 . . . . . . A 7 LYS CB . 30668 1
73 . 1 . 1 7 7 LYS CG C 13 22.006 0.017 . . . . . . A 7 LYS CG . 30668 1
74 . 1 . 1 7 7 LYS CD C 13 26.509 0.000 . . . . . . A 7 LYS CD . 30668 1
75 . 1 . 1 7 7 LYS CE C 13 39.228 0.004 . . . . . . A 7 LYS CE . 30668 1
76 . 1 . 1 7 7 LYS N N 15 119.865 0.000 . . . . . . A 7 LYS N . 30668 1
77 . 1 . 1 8 8 PRO HA H 1 5.116 0.006 . . . . . . A 8 PRO HA . 30668 1
78 . 1 . 1 8 8 PRO HB2 H 1 2.430 0.006 . . . . . . A 8 PRO HB2 . 30668 1
79 . 1 . 1 8 8 PRO HB3 H 1 2.116 0.007 . . . . . . A 8 PRO HB3 . 30668 1
80 . 1 . 1 8 8 PRO HG2 H 1 1.971 0.011 . . . . . . A 8 PRO HG2 . 30668 1
81 . 1 . 1 8 8 PRO HG3 H 1 1.849 0.008 . . . . . . A 8 PRO HG3 . 30668 1
82 . 1 . 1 8 8 PRO HD2 H 1 3.637 0.003 . . . . . . A 8 PRO HD2 . 30668 1
83 . 1 . 1 8 8 PRO HD3 H 1 3.524 0.004 . . . . . . A 8 PRO HD3 . 30668 1
84 . 1 . 1 8 8 PRO CA C 13 59.776 0.000 . . . . . . A 8 PRO CA . 30668 1
85 . 1 . 1 8 8 PRO CB C 13 30.308 0.004 . . . . . . A 8 PRO CB . 30668 1
86 . 1 . 1 8 8 PRO CG C 13 21.913 0.004 . . . . . . A 8 PRO CG . 30668 1
87 . 1 . 1 8 8 PRO CD C 13 47.528 0.002 . . . . . . A 8 PRO CD . 30668 1
88 . 1 . 1 9 9 PRO HA H 1 4.452 0.005 . . . . . . A 9 PRO HA . 30668 1
89 . 1 . 1 9 9 PRO HB2 H 1 2.327 0.011 . . . . . . A 9 PRO HB2 . 30668 1
90 . 1 . 1 9 9 PRO HB3 H 1 1.942 0.012 . . . . . . A 9 PRO HB3 . 30668 1
91 . 1 . 1 9 9 PRO HG2 H 1 2.119 0.000 . . . . . . A 9 PRO HG2 . 30668 1
92 . 1 . 1 9 9 PRO HG3 H 1 2.114 0.008 . . . . . . A 9 PRO HG3 . 30668 1
93 . 1 . 1 9 9 PRO HD2 H 1 3.815 0.004 . . . . . . A 9 PRO HD2 . 30668 1
94 . 1 . 1 9 9 PRO HD3 H 1 3.685 0.003 . . . . . . A 9 PRO HD3 . 30668 1
95 . 1 . 1 9 9 PRO CA C 13 61.008 0.000 . . . . . . A 9 PRO CA . 30668 1
96 . 1 . 1 9 9 PRO CB C 13 29.648 0.004 . . . . . . A 9 PRO CB . 30668 1
97 . 1 . 1 9 9 PRO CG C 13 24.952 0.000 . . . . . . A 9 PRO CG . 30668 1
98 . 1 . 1 9 9 PRO CD C 13 47.903 0.004 . . . . . . A 9 PRO CD . 30668 1
99 . 1 . 1 10 10 ILE H H 1 7.604 0.003 . . . . . . A 10 ILE H . 30668 1
100 . 1 . 1 10 10 ILE HA H 1 4.313 0.002 . . . . . . A 10 ILE HA . 30668 1
101 . 1 . 1 10 10 ILE HB H 1 1.689 0.010 . . . . . . A 10 ILE HB . 30668 1
102 . 1 . 1 10 10 ILE HG12 H 1 1.465 0.010 . . . . . . A 10 ILE HG12 . 30668 1
103 . 1 . 1 10 10 ILE HG13 H 1 1.000 0.007 . . . . . . A 10 ILE HG13 . 30668 1
104 . 1 . 1 10 10 ILE HG21 H 1 0.716 0.009 . . . . . . A 10 ILE HG21 . 30668 1
105 . 1 . 1 10 10 ILE HG22 H 1 0.716 0.009 . . . . . . A 10 ILE HG22 . 30668 1
106 . 1 . 1 10 10 ILE HG23 H 1 0.716 0.009 . . . . . . A 10 ILE HG23 . 30668 1
107 . 1 . 1 10 10 ILE HD11 H 1 0.837 0.003 . . . . . . A 10 ILE HD11 . 30668 1
108 . 1 . 1 10 10 ILE HD12 H 1 0.837 0.003 . . . . . . A 10 ILE HD12 . 30668 1
109 . 1 . 1 10 10 ILE HD13 H 1 0.837 0.003 . . . . . . A 10 ILE HD13 . 30668 1
110 . 1 . 1 10 10 ILE CA C 13 57.423 0.000 . . . . . . A 10 ILE CA . 30668 1
111 . 1 . 1 10 10 ILE CB C 13 37.816 0.000 . . . . . . A 10 ILE CB . 30668 1
112 . 1 . 1 10 10 ILE CG1 C 13 24.508 0.001 . . . . . . A 10 ILE CG1 . 30668 1
113 . 1 . 1 10 10 ILE CG2 C 13 14.503 0.000 . . . . . . A 10 ILE CG2 . 30668 1
114 . 1 . 1 10 10 ILE CD1 C 13 10.336 0.000 . . . . . . A 10 ILE CD1 . 30668 1
115 . 1 . 1 10 10 ILE N N 15 122.312 0.000 . . . . . . A 10 ILE N . 30668 1
116 . 1 . 1 11 11 CYS H H 1 8.401 0.003 . . . . . . A 11 CYS H . 30668 1
117 . 1 . 1 11 11 CYS HA H 1 5.466 0.005 . . . . . . A 11 CYS HA . 30668 1
118 . 1 . 1 11 11 CYS HB2 H 1 2.910 0.005 . . . . . . A 11 CYS HB2 . 30668 1
119 . 1 . 1 11 11 CYS HB3 H 1 2.910 0.005 . . . . . . A 11 CYS HB3 . 30668 1
120 . 1 . 1 11 11 CYS CA C 13 52.731 0.000 . . . . . . A 11 CYS CA . 30668 1
121 . 1 . 1 11 11 CYS N N 15 123.061 0.000 . . . . . . A 11 CYS N . 30668 1
122 . 1 . 1 12 12 PHE H H 1 8.914 0.002 . . . . . . A 12 PHE H . 30668 1
123 . 1 . 1 12 12 PHE HA H 1 4.898 0.004 . . . . . . A 12 PHE HA . 30668 1
124 . 1 . 1 12 12 PHE HB2 H 1 3.382 0.008 . . . . . . A 12 PHE HB2 . 30668 1
125 . 1 . 1 12 12 PHE HB3 H 1 3.129 0.007 . . . . . . A 12 PHE HB3 . 30668 1
126 . 1 . 1 12 12 PHE HD1 H 1 7.304 0.001 . . . . . . A 12 PHE HD1 . 30668 1
127 . 1 . 1 12 12 PHE HD2 H 1 7.304 0.001 . . . . . . A 12 PHE HD2 . 30668 1
128 . 1 . 1 12 12 PHE CA C 13 53.954 0.000 . . . . . . A 12 PHE CA . 30668 1
129 . 1 . 1 12 12 PHE CB C 13 36.803 0.010 . . . . . . A 12 PHE CB . 30668 1
130 . 1 . 1 12 12 PHE N N 15 121.823 0.000 . . . . . . A 12 PHE N . 30668 1
131 . 1 . 1 13 13 PRO HA H 1 4.435 0.003 . . . . . . A 13 PRO HA . 30668 1
132 . 1 . 1 13 13 PRO HB2 H 1 2.487 0.005 . . . . . . A 13 PRO HB2 . 30668 1
133 . 1 . 1 13 13 PRO HB3 H 1 2.049 0.008 . . . . . . A 13 PRO HB3 . 30668 1
134 . 1 . 1 13 13 PRO HG2 H 1 2.215 0.006 . . . . . . A 13 PRO HG2 . 30668 1
135 . 1 . 1 13 13 PRO HG3 H 1 2.111 0.002 . . . . . . A 13 PRO HG3 . 30668 1
136 . 1 . 1 13 13 PRO HD2 H 1 4.052 0.003 . . . . . . A 13 PRO HD2 . 30668 1
137 . 1 . 1 13 13 PRO HD3 H 1 4.052 0.003 . . . . . . A 13 PRO HD3 . 30668 1
138 . 1 . 1 13 13 PRO CA C 13 62.544 0.000 . . . . . . A 13 PRO CA . 30668 1
139 . 1 . 1 13 13 PRO CB C 13 29.115 0.001 . . . . . . A 13 PRO CB . 30668 1
140 . 1 . 1 13 13 PRO CG C 13 24.993 0.011 . . . . . . A 13 PRO CG . 30668 1
141 . 1 . 1 13 13 PRO CD C 13 48.592 0.000 . . . . . . A 13 PRO CD . 30668 1
142 . 1 . 1 14 14 ASP H H 1 7.785 0.001 . . . . . . A 14 ASP H . 30668 1
143 . 1 . 1 14 14 ASP HA H 1 4.539 0.006 . . . . . . A 14 ASP HA . 30668 1
144 . 1 . 1 14 14 ASP HB2 H 1 3.123 0.016 . . . . . . A 14 ASP HB2 . 30668 1
145 . 1 . 1 14 14 ASP HB3 H 1 2.739 0.016 . . . . . . A 14 ASP HB3 . 30668 1
146 . 1 . 1 14 14 ASP CA C 13 50.648 0.000 . . . . . . A 14 ASP CA . 30668 1
147 . 1 . 1 14 14 ASP CB C 13 35.993 0.009 . . . . . . A 14 ASP CB . 30668 1
148 . 1 . 1 14 14 ASP N N 15 114.022 0.000 . . . . . . A 14 ASP N . 30668 1
stop_
save_