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 30654
_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' . . . 30654 1
2 '2D 1H-1H NOESY' . . . 30654 1
3 '2D 1H-15N HSQC' . . . 30654 1
4 '2D 1H-13C HSQC' . . . 30654 1
5 '2D 1H-1H E.COSY' . . . 30654 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 8.513 0.001 . . . . . . A 1 GLY H1 . 30654 1
2 . 1 . 1 1 1 GLY HA2 H 1 4.470 0.013 . . . . . . A 1 GLY HA2 . 30654 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.765 0.009 . . . . . . A 1 GLY HA3 . 30654 1
4 . 1 . 1 1 1 GLY CA C 13 42.279 0.015 . . . . . . A 1 GLY CA . 30654 1
5 . 1 . 1 1 1 GLY N N 15 108.838 0.000 . . . . . . A 1 GLY N . 30654 1
6 . 1 . 1 2 2 ARG H H 1 7.888 0.001 . . . . . . A 2 ARG H . 30654 1
7 . 1 . 1 2 2 ARG HA H 1 4.440 0.005 . . . . . . A 2 ARG HA . 30654 1
8 . 1 . 1 2 2 ARG HB2 H 1 1.926 0.004 . . . . . . A 2 ARG HB2 . 30654 1
9 . 1 . 1 2 2 ARG HB3 H 1 2.046 0.013 . . . . . . A 2 ARG HB3 . 30654 1
10 . 1 . 1 2 2 ARG HG2 H 1 1.660 0.015 . . . . . . A 2 ARG HG2 . 30654 1
11 . 1 . 1 2 2 ARG HG3 H 1 1.675 0.016 . . . . . . A 2 ARG HG3 . 30654 1
12 . 1 . 1 2 2 ARG HD2 H 1 3.216 0.006 . . . . . . A 2 ARG HD2 . 30654 1
13 . 1 . 1 2 2 ARG HD3 H 1 3.216 0.006 . . . . . . A 2 ARG HD3 . 30654 1
14 . 1 . 1 2 2 ARG HE H 1 7.602 0.002 . . . . . . A 2 ARG HE . 30654 1
15 . 1 . 1 2 2 ARG CA C 13 54.205 0.000 . . . . . . A 2 ARG CA . 30654 1
16 . 1 . 1 2 2 ARG CB C 13 28.179 0.029 . . . . . . A 2 ARG CB . 30654 1
17 . 1 . 1 2 2 ARG CG C 13 25.304 0.000 . . . . . . A 2 ARG CG . 30654 1
18 . 1 . 1 2 2 ARG CD C 13 40.557 0.000 . . . . . . A 2 ARG CD . 30654 1
19 . 1 . 1 2 2 ARG N N 15 121.630 0.000 . . . . . . A 2 ARG N . 30654 1
20 . 1 . 1 2 2 ARG NE N 15 125.164 0.000 . . . . . . A 2 ARG NE . 30654 1
21 . 1 . 1 3 3 ALA H H 1 8.753 0.002 . . . . . . A 3 ALA H . 30654 1
22 . 1 . 1 3 3 ALA HA H 1 5.796 0.003 . . . . . . A 3 ALA HA . 30654 1
23 . 1 . 1 3 3 ALA HB1 H 1 2.202 0.012 . . . . . . A 3 ALA HB1 . 30654 1
24 . 1 . 1 3 3 ALA HB2 H 1 2.202 0.012 . . . . . . A 3 ALA HB2 . 30654 1
25 . 1 . 1 3 3 ALA HB3 H 1 2.696 0.010 . . . . . . A 3 ALA HB3 . 30654 1
26 . 1 . 1 3 3 ALA CA C 13 51.230 0.000 . . . . . . A 3 ALA CA . 30654 1
27 . 1 . 1 3 3 ALA CB C 13 36.300 0.006 . . . . . . A 3 ALA CB . 30654 1
28 . 1 . 1 3 3 ALA N N 15 121.280 0.000 . . . . . . A 3 ALA N . 30654 1
29 . 1 . 1 4 4 THR H H 1 8.819 0.001 . . . . . . A 4 THR H . 30654 1
30 . 1 . 1 4 4 THR HA H 1 4.497 0.004 . . . . . . A 4 THR HA . 30654 1
31 . 1 . 1 4 4 THR HB H 1 4.552 0.007 . . . . . . A 4 THR HB . 30654 1
32 . 1 . 1 4 4 THR HG21 H 1 1.368 0.004 . . . . . . A 4 THR HG21 . 30654 1
33 . 1 . 1 4 4 THR HG22 H 1 1.368 0.004 . . . . . . A 4 THR HG22 . 30654 1
34 . 1 . 1 4 4 THR HG23 H 1 1.368 0.004 . . . . . . A 4 THR HG23 . 30654 1
35 . 1 . 1 4 4 THR CA C 13 58.210 0.000 . . . . . . A 4 THR CA . 30654 1
36 . 1 . 1 4 4 THR CB C 13 67.796 0.000 . . . . . . A 4 THR CB . 30654 1
37 . 1 . 1 4 4 THR CG2 C 13 19.743 0.000 . . . . . . A 4 THR CG2 . 30654 1
38 . 1 . 1 4 4 THR N N 15 113.264 0.000 . . . . . . A 4 THR N . 30654 1
39 . 1 . 1 5 5 LYS H H 1 8.531 0.001 . . . . . . A 5 LYS H . 30654 1
40 . 1 . 1 5 5 LYS HA H 1 4.557 0.003 . . . . . . A 5 LYS HA . 30654 1
41 . 1 . 1 5 5 LYS HB2 H 1 1.688 0.010 . . . . . . A 5 LYS HB2 . 30654 1
42 . 1 . 1 5 5 LYS HB3 H 1 2.090 0.005 . . . . . . A 5 LYS HB3 . 30654 1
43 . 1 . 1 5 5 LYS HG2 H 1 1.459 0.005 . . . . . . A 5 LYS HG2 . 30654 1
44 . 1 . 1 5 5 LYS HG3 H 1 1.544 0.005 . . . . . . A 5 LYS HG3 . 30654 1
45 . 1 . 1 5 5 LYS HD2 H 1 1.727 0.013 . . . . . . A 5 LYS HD2 . 30654 1
46 . 1 . 1 5 5 LYS HD3 H 1 1.727 0.013 . . . . . . A 5 LYS HD3 . 30654 1
47 . 1 . 1 5 5 LYS HE2 H 1 3.061 0.008 . . . . . . A 5 LYS HE2 . 30654 1
48 . 1 . 1 5 5 LYS HE3 H 1 3.061 0.008 . . . . . . A 5 LYS HE3 . 30654 1
49 . 1 . 1 5 5 LYS HZ1 H 1 7.552 0.000 . . . . . . A 5 LYS HZ1 . 30654 1
50 . 1 . 1 5 5 LYS HZ2 H 1 7.552 0.000 . . . . . . A 5 LYS HZ2 . 30654 1
51 . 1 . 1 5 5 LYS HZ3 H 1 7.552 0.000 . . . . . . A 5 LYS HZ3 . 30654 1
52 . 1 . 1 5 5 LYS CA C 13 52.326 0.000 . . . . . . A 5 LYS CA . 30654 1
53 . 1 . 1 5 5 LYS CB C 13 28.395 0.003 . . . . . . A 5 LYS CB . 30654 1
54 . 1 . 1 5 5 LYS CG C 13 22.181 0.001 . . . . . . A 5 LYS CG . 30654 1
55 . 1 . 1 5 5 LYS CD C 13 26.099 0.000 . . . . . . A 5 LYS CD . 30654 1
56 . 1 . 1 5 5 LYS CE C 13 39.327 0.000 . . . . . . A 5 LYS CE . 30654 1
57 . 1 . 1 5 5 LYS N N 15 119.104 0.000 . . . . . . A 5 LYS N . 30654 1
58 . 1 . 1 6 6 SER H H 1 7.231 0.001 . . . . . . A 6 SER H . 30654 1
59 . 1 . 1 6 6 SER HA H 1 4.374 0.006 . . . . . . A 6 SER HA . 30654 1
60 . 1 . 1 6 6 SER HB2 H 1 3.778 0.006 . . . . . . A 6 SER HB2 . 30654 1
61 . 1 . 1 6 6 SER HB3 H 1 3.916 0.007 . . . . . . A 6 SER HB3 . 30654 1
62 . 1 . 1 6 6 SER CA C 13 54.669 0.000 . . . . . . A 6 SER CA . 30654 1
63 . 1 . 1 6 6 SER CB C 13 62.537 0.001 . . . . . . A 6 SER CB . 30654 1
64 . 1 . 1 6 6 SER N N 15 113.743 0.000 . . . . . . A 6 SER N . 30654 1
65 . 1 . 1 7 7 ILE H H 1 8.231 0.002 . . . . . . A 7 ILE H . 30654 1
66 . 1 . 1 7 7 ILE HA H 1 4.311 0.007 . . . . . . A 7 ILE HA . 30654 1
67 . 1 . 1 7 7 ILE HB H 1 1.809 0.003 . . . . . . A 7 ILE HB . 30654 1
68 . 1 . 1 7 7 ILE HG12 H 1 1.074 0.017 . . . . . . A 7 ILE HG12 . 30654 1
69 . 1 . 1 7 7 ILE HG13 H 1 1.466 0.017 . . . . . . A 7 ILE HG13 . 30654 1
70 . 1 . 1 7 7 ILE HG21 H 1 0.858 0.011 . . . . . . A 7 ILE HG21 . 30654 1
71 . 1 . 1 7 7 ILE HG22 H 1 0.858 0.011 . . . . . . A 7 ILE HG22 . 30654 1
72 . 1 . 1 7 7 ILE HG23 H 1 0.858 0.011 . . . . . . A 7 ILE HG23 . 30654 1
73 . 1 . 1 7 7 ILE HD11 H 1 0.859 0.010 . . . . . . A 7 ILE HD11 . 30654 1
74 . 1 . 1 7 7 ILE HD12 H 1 0.859 0.010 . . . . . . A 7 ILE HD12 . 30654 1
75 . 1 . 1 7 7 ILE HD13 H 1 0.859 0.010 . . . . . . A 7 ILE HD13 . 30654 1
76 . 1 . 1 7 7 ILE CA C 13 55.116 0.000 . . . . . . A 7 ILE CA . 30654 1
77 . 1 . 1 7 7 ILE CB C 13 36.810 0.000 . . . . . . A 7 ILE CB . 30654 1
78 . 1 . 1 7 7 ILE CG1 C 13 24.333 0.018 . . . . . . A 7 ILE CG1 . 30654 1
79 . 1 . 1 7 7 ILE CG2 C 13 14.299 0.000 . . . . . . A 7 ILE CG2 . 30654 1
80 . 1 . 1 7 7 ILE CD1 C 13 10.105 0.000 . . . . . . A 7 ILE CD1 . 30654 1
81 . 1 . 1 7 7 ILE N N 15 118.999 0.000 . . . . . . A 7 ILE N . 30654 1
82 . 1 . 1 8 8 PRO HA H 1 5.094 0.004 . . . . . . A 8 PRO HA . 30654 1
83 . 1 . 1 8 8 PRO HB2 H 1 2.052 0.010 . . . . . . A 8 PRO HB2 . 30654 1
84 . 1 . 1 8 8 PRO HB3 H 1 2.462 0.006 . . . . . . A 8 PRO HB3 . 30654 1
85 . 1 . 1 8 8 PRO HG2 H 1 1.847 0.012 . . . . . . A 8 PRO HG2 . 30654 1
86 . 1 . 1 8 8 PRO HG3 H 1 1.964 0.011 . . . . . . A 8 PRO HG3 . 30654 1
87 . 1 . 1 8 8 PRO HD2 H 1 3.536 0.004 . . . . . . A 8 PRO HD2 . 30654 1
88 . 1 . 1 8 8 PRO HD3 H 1 3.605 0.003 . . . . . . A 8 PRO HD3 . 30654 1
89 . 1 . 1 8 8 PRO CA C 13 59.571 0.000 . . . . . . A 8 PRO CA . 30654 1
90 . 1 . 1 8 8 PRO CB C 13 30.443 0.007 . . . . . . A 8 PRO CB . 30654 1
91 . 1 . 1 8 8 PRO CG C 13 22.024 0.002 . . . . . . A 8 PRO CG . 30654 1
92 . 1 . 1 8 8 PRO CD C 13 47.303 0.003 . . . . . . A 8 PRO CD . 30654 1
93 . 1 . 1 9 9 PRO HA H 1 4.043 0.003 . . . . . . A 9 PRO HA . 30654 1
94 . 1 . 1 9 9 PRO HB2 H 1 1.369 0.010 . . . . . . A 9 PRO HB2 . 30654 1
95 . 1 . 1 9 9 PRO HB3 H 1 2.209 0.009 . . . . . . A 9 PRO HB3 . 30654 1
96 . 1 . 1 9 9 PRO HG2 H 1 2.137 0.004 . . . . . . A 9 PRO HG2 . 30654 1
97 . 1 . 1 9 9 PRO HG3 H 1 2.136 0.005 . . . . . . A 9 PRO HG3 . 30654 1
98 . 1 . 1 9 9 PRO HD2 H 1 3.720 0.005 . . . . . . A 9 PRO HD2 . 30654 1
99 . 1 . 1 9 9 PRO HD3 H 1 3.769 0.009 . . . . . . A 9 PRO HD3 . 30654 1
100 . 1 . 1 9 9 PRO CA C 13 60.492 0.000 . . . . . . A 9 PRO CA . 30654 1
101 . 1 . 1 9 9 PRO CB C 13 29.662 0.013 . . . . . . A 9 PRO CB . 30654 1
102 . 1 . 1 9 9 PRO CG C 13 24.657 0.000 . . . . . . A 9 PRO CG . 30654 1
103 . 1 . 1 9 9 PRO CD C 13 47.951 0.004 . . . . . . A 9 PRO CD . 30654 1
104 . 1 . 1 10 10 ILE H H 1 7.299 0.002 . . . . . . A 10 ILE H . 30654 1
105 . 1 . 1 10 10 ILE HA H 1 4.039 0.006 . . . . . . A 10 ILE HA . 30654 1
106 . 1 . 1 10 10 ILE HB H 1 1.552 0.008 . . . . . . A 10 ILE HB . 30654 1
107 . 1 . 1 10 10 ILE HG12 H 1 0.954 0.006 . . . . . . A 10 ILE HG12 . 30654 1
108 . 1 . 1 10 10 ILE HG13 H 1 1.248 0.009 . . . . . . A 10 ILE HG13 . 30654 1
109 . 1 . 1 10 10 ILE HG21 H 1 0.479 0.003 . . . . . . A 10 ILE HG21 . 30654 1
110 . 1 . 1 10 10 ILE HG22 H 1 0.479 0.003 . . . . . . A 10 ILE HG22 . 30654 1
111 . 1 . 1 10 10 ILE HG23 H 1 0.479 0.003 . . . . . . A 10 ILE HG23 . 30654 1
112 . 1 . 1 10 10 ILE HD11 H 1 0.744 0.004 . . . . . . A 10 ILE HD11 . 30654 1
113 . 1 . 1 10 10 ILE HD12 H 1 0.744 0.004 . . . . . . A 10 ILE HD12 . 30654 1
114 . 1 . 1 10 10 ILE HD13 H 1 0.744 0.004 . . . . . . A 10 ILE HD13 . 30654 1
115 . 1 . 1 10 10 ILE CA C 13 56.712 0.000 . . . . . . A 10 ILE CA . 30654 1
116 . 1 . 1 10 10 ILE CB C 13 36.840 0.000 . . . . . . A 10 ILE CB . 30654 1
117 . 1 . 1 10 10 ILE CG1 C 13 24.416 0.007 . . . . . . A 10 ILE CG1 . 30654 1
118 . 1 . 1 10 10 ILE CG2 C 13 14.780 0.000 . . . . . . A 10 ILE CG2 . 30654 1
119 . 1 . 1 10 10 ILE CD1 C 13 9.818 0.000 . . . . . . A 10 ILE CD1 . 30654 1
120 . 1 . 1 10 10 ILE N N 15 119.474 0.000 . . . . . . A 10 ILE N . 30654 1
121 . 1 . 1 11 11 ALA H H 1 8.564 0.002 . . . . . . A 11 ALA H . 30654 1
122 . 1 . 1 11 11 ALA HA H 1 5.457 0.012 . . . . . . A 11 ALA HA . 30654 1
123 . 1 . 1 11 11 ALA HB1 H 1 3.046 0.008 . . . . . . A 11 ALA HB1 . 30654 1
124 . 1 . 1 11 11 ALA HB2 H 1 3.156 0.009 . . . . . . A 11 ALA HB2 . 30654 1
125 . 1 . 1 11 11 ALA HB3 H 1 3.156 0.009 . . . . . . A 11 ALA HB3 . 30654 1
126 . 1 . 1 11 11 ALA CA C 13 50.517 0.000 . . . . . . A 11 ALA CA . 30654 1
127 . 1 . 1 11 11 ALA CB C 13 25.616 0.015 . . . . . . A 11 ALA CB . 30654 1
128 . 1 . 1 11 11 ALA N N 15 120.673 0.000 . . . . . . A 11 ALA N . 30654 1
129 . 1 . 1 12 12 PHE H H 1 8.970 0.001 . . . . . . A 12 PHE H . 30654 1
130 . 1 . 1 12 12 PHE HA H 1 4.968 0.006 . . . . . . A 12 PHE HA . 30654 1
131 . 1 . 1 12 12 PHE HB2 H 1 2.991 0.008 . . . . . . A 12 PHE HB2 . 30654 1
132 . 1 . 1 12 12 PHE HB3 H 1 3.437 0.012 . . . . . . A 12 PHE HB3 . 30654 1
133 . 1 . 1 12 12 PHE HD1 H 1 7.246 0.001 . . . . . . A 12 PHE HD1 . 30654 1
134 . 1 . 1 12 12 PHE HD2 H 1 7.246 0.001 . . . . . . A 12 PHE HD2 . 30654 1
135 . 1 . 1 12 12 PHE CA C 13 54.028 0.000 . . . . . . A 12 PHE CA . 30654 1
136 . 1 . 1 12 12 PHE CB C 13 36.668 0.003 . . . . . . A 12 PHE CB . 30654 1
137 . 1 . 1 12 12 PHE CD2 C 13 128.955 0.000 . . . . . . A 12 PHE CD2 . 30654 1
138 . 1 . 1 12 12 PHE N N 15 122.109 0.000 . . . . . . A 12 PHE N . 30654 1
139 . 1 . 1 13 13 PRO HA H 1 4.451 0.004 . . . . . . A 13 PRO HA . 30654 1
140 . 1 . 1 13 13 PRO HB2 H 1 2.057 0.006 . . . . . . A 13 PRO HB2 . 30654 1
141 . 1 . 1 13 13 PRO HB3 H 1 2.501 0.005 . . . . . . A 13 PRO HB3 . 30654 1
142 . 1 . 1 13 13 PRO HG2 H 1 2.148 0.004 . . . . . . A 13 PRO HG2 . 30654 1
143 . 1 . 1 13 13 PRO HG3 H 1 2.252 0.005 . . . . . . A 13 PRO HG3 . 30654 1
144 . 1 . 1 13 13 PRO HD2 H 1 4.114 0.007 . . . . . . A 13 PRO HD2 . 30654 1
145 . 1 . 1 13 13 PRO HD3 H 1 4.113 0.007 . . . . . . A 13 PRO HD3 . 30654 1
146 . 1 . 1 13 13 PRO CA C 13 62.851 0.000 . . . . . . A 13 PRO CA . 30654 1
147 . 1 . 1 13 13 PRO CB C 13 29.125 0.016 . . . . . . A 13 PRO CB . 30654 1
148 . 1 . 1 13 13 PRO CG C 13 25.059 0.013 . . . . . . A 13 PRO CG . 30654 1
149 . 1 . 1 13 13 PRO CD C 13 48.540 0.000 . . . . . . A 13 PRO CD . 30654 1
150 . 1 . 1 14 14 ASP H H 1 7.881 0.002 . . . . . . A 14 ASP H . 30654 1
151 . 1 . 1 14 14 ASP HA H 1 4.586 0.003 . . . . . . A 14 ASP HA . 30654 1
152 . 1 . 1 14 14 ASP HB2 H 1 2.832 0.020 . . . . . . A 14 ASP HB2 . 30654 1
153 . 1 . 1 14 14 ASP HB3 H 1 3.214 0.017 . . . . . . A 14 ASP HB3 . 30654 1
154 . 1 . 1 14 14 ASP CA C 13 50.417 0.000 . . . . . . A 14 ASP CA . 30654 1
155 . 1 . 1 14 14 ASP CB C 13 35.529 0.011 . . . . . . A 14 ASP CB . 30654 1
156 . 1 . 1 14 14 ASP N N 15 113.371 0.000 . . . . . . A 14 ASP N . 30654 1
157 . 2 . 2 1 1 WMH C C 13 43.937 0.004 . . . . . . A 101 WMH C . 30654 1
158 . 2 . 2 1 1 WMH H2 H 1 4.576 0.003 . . . . . . A 101 WMH H2 . 30654 1
159 . 2 . 2 1 1 WMH H1 H 1 4.327 0.005 . . . . . . A 101 WMH H1 . 30654 1
160 . 2 . 2 1 1 WMH H5 H 1 7.480 0.000 . . . . . . A 101 WMH H5 . 30654 1
stop_
save_