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 30669
_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' . . . 30669 1
2 '2D 1H-1H NOESY' . . . 30669 1
3 '2D 1H-15N HSQC' . . . 30669 1
4 '2D 1H-13C HSQC' . . . 30669 1
5 '2D 1H-1H E.COSY' . . . 30669 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 8.477 0.001 . . . . . . A 1 GLY H1 . 30669 1
2 . 1 . 1 1 1 GLY HA2 H 1 4.441 0.007 . . . . . . A 1 GLY HA2 . 30669 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.718 0.002 . . . . . . A 1 GLY HA3 . 30669 1
4 . 1 . 1 1 1 GLY CA C 13 42.224 0.010 . . . . . . A 1 GLY CA . 30669 1
5 . 1 . 1 1 1 GLY N N 15 108.758 0.000 . . . . . . A 1 GLY N . 30669 1
6 . 1 . 1 2 2 ARG H H 1 7.935 0.001 . . . . . . A 2 ARG H . 30669 1
7 . 1 . 1 2 2 ARG HA H 1 4.386 0.004 . . . . . . A 2 ARG HA . 30669 1
8 . 1 . 1 2 2 ARG HB2 H 1 1.860 0.004 . . . . . . A 2 ARG HB2 . 30669 1
9 . 1 . 1 2 2 ARG HB3 H 1 2.019 0.004 . . . . . . A 2 ARG HB3 . 30669 1
10 . 1 . 1 2 2 ARG HG2 H 1 1.621 0.009 . . . . . . A 2 ARG HG2 . 30669 1
11 . 1 . 1 2 2 ARG HG3 H 1 1.621 0.009 . . . . . . A 2 ARG HG3 . 30669 1
12 . 1 . 1 2 2 ARG HD2 H 1 3.163 0.006 . . . . . . A 2 ARG HD2 . 30669 1
13 . 1 . 1 2 2 ARG HD3 H 1 3.162 0.008 . . . . . . A 2 ARG HD3 . 30669 1
14 . 1 . 1 2 2 ARG HE H 1 7.679 0.001 . . . . . . A 2 ARG HE . 30669 1
15 . 1 . 1 2 2 ARG CA C 13 54.519 0.000 . . . . . . A 2 ARG CA . 30669 1
16 . 1 . 1 2 2 ARG CB C 13 28.269 0.017 . . . . . . A 2 ARG CB . 30669 1
17 . 1 . 1 2 2 ARG CG C 13 25.393 0.000 . . . . . . A 2 ARG CG . 30669 1
18 . 1 . 1 2 2 ARG CD C 13 40.660 0.000 . . . . . . A 2 ARG CD . 30669 1
19 . 1 . 1 2 2 ARG N N 15 121.724 0.000 . . . . . . A 2 ARG N . 30669 1
20 . 1 . 1 2 2 ARG NE N 15 125.302 0.000 . . . . . . A 2 ARG NE . 30669 1
21 . 1 . 1 3 3 ALA H H 1 8.758 0.002 . . . . . . A 3 ALA H . 30669 1
22 . 1 . 1 3 3 ALA HA H 1 5.694 0.001 . . . . . . A 3 ALA HA . 30669 1
23 . 1 . 1 3 3 ALA HB1 H 1 2.245 0.005 . . . . . . A 3 ALA HB1 . 30669 1
24 . 1 . 1 3 3 ALA HB2 H 1 2.637 0.003 . . . . . . A 3 ALA HB2 . 30669 1
25 . 1 . 1 3 3 ALA HB3 H 1 2.637 0.003 . . . . . . A 3 ALA HB3 . 30669 1
26 . 1 . 1 3 3 ALA CA C 13 51.366 0.000 . . . . . . A 3 ALA CA . 30669 1
27 . 1 . 1 3 3 ALA CB C 13 36.540 0.003 . . . . . . A 3 ALA CB . 30669 1
28 . 1 . 1 3 3 ALA N N 15 121.510 0.000 . . . . . . A 3 ALA N . 30669 1
29 . 1 . 1 4 4 THR H H 1 8.780 0.002 . . . . . . A 4 THR H . 30669 1
30 . 1 . 1 4 4 THR HA H 1 4.483 0.001 . . . . . . A 4 THR HA . 30669 1
31 . 1 . 1 4 4 THR HB H 1 4.483 0.002 . . . . . . A 4 THR HB . 30669 1
32 . 1 . 1 4 4 THR HG21 H 1 1.296 0.002 . . . . . . A 4 THR HG21 . 30669 1
33 . 1 . 1 4 4 THR HG22 H 1 1.296 0.002 . . . . . . A 4 THR HG22 . 30669 1
34 . 1 . 1 4 4 THR HG23 H 1 1.296 0.002 . . . . . . A 4 THR HG23 . 30669 1
35 . 1 . 1 4 4 THR CA C 13 57.971 0.000 . . . . . . A 4 THR CA . 30669 1
36 . 1 . 1 4 4 THR CB C 13 67.875 0.000 . . . . . . A 4 THR CB . 30669 1
37 . 1 . 1 4 4 THR CG2 C 13 19.609 0.000 . . . . . . A 4 THR CG2 . 30669 1
38 . 1 . 1 4 4 THR N N 15 112.986 0.000 . . . . . . A 4 THR N . 30669 1
39 . 1 . 1 5 5 LYS H H 1 8.557 0.000 . . . . . . A 5 LYS H . 30669 1
40 . 1 . 1 5 5 LYS HA H 1 4.514 0.008 . . . . . . A 5 LYS HA . 30669 1
41 . 1 . 1 5 5 LYS HB2 H 1 1.648 0.002 . . . . . . A 5 LYS HB2 . 30669 1
42 . 1 . 1 5 5 LYS HB3 H 1 2.040 0.001 . . . . . . A 5 LYS HB3 . 30669 1
43 . 1 . 1 5 5 LYS HG2 H 1 1.411 0.000 . . . . . . A 5 LYS HG2 . 30669 1
44 . 1 . 1 5 5 LYS HG3 H 1 1.503 0.001 . . . . . . A 5 LYS HG3 . 30669 1
45 . 1 . 1 5 5 LYS HD2 H 1 1.682 0.005 . . . . . . A 5 LYS HD2 . 30669 1
46 . 1 . 1 5 5 LYS HD3 H 1 1.682 0.005 . . . . . . A 5 LYS HD3 . 30669 1
47 . 1 . 1 5 5 LYS HE2 H 1 3.018 0.001 . . . . . . A 5 LYS HE2 . 30669 1
48 . 1 . 1 5 5 LYS HE3 H 1 3.018 0.001 . . . . . . A 5 LYS HE3 . 30669 1
49 . 1 . 1 5 5 LYS HZ1 H 1 7.525 0.001 . . . . . . A 5 LYS HZ1 . 30669 1
50 . 1 . 1 5 5 LYS HZ2 H 1 7.525 0.001 . . . . . . A 5 LYS HZ2 . 30669 1
51 . 1 . 1 5 5 LYS HZ3 H 1 7.525 0.001 . . . . . . A 5 LYS HZ3 . 30669 1
52 . 1 . 1 5 5 LYS CA C 13 52.381 0.000 . . . . . . A 5 LYS CA . 30669 1
53 . 1 . 1 5 5 LYS CB C 13 28.306 0.010 . . . . . . A 5 LYS CB . 30669 1
54 . 1 . 1 5 5 LYS CG C 13 22.141 0.017 . . . . . . A 5 LYS CG . 30669 1
55 . 1 . 1 5 5 LYS CD C 13 26.220 0.000 . . . . . . A 5 LYS CD . 30669 1
56 . 1 . 1 5 5 LYS CE C 13 39.549 0.000 . . . . . . A 5 LYS CE . 30669 1
57 . 1 . 1 5 5 LYS N N 15 119.956 0.000 . . . . . . A 5 LYS N . 30669 1
58 . 1 . 1 6 6 SER H H 1 7.214 0.002 . . . . . . A 6 SER H . 30669 1
59 . 1 . 1 6 6 SER HA H 1 4.349 0.003 . . . . . . A 6 SER HA . 30669 1
60 . 1 . 1 6 6 SER HB2 H 1 3.741 0.003 . . . . . . A 6 SER HB2 . 30669 1
61 . 1 . 1 6 6 SER HB3 H 1 3.879 0.003 . . . . . . A 6 SER HB3 . 30669 1
62 . 1 . 1 6 6 SER CA C 13 54.666 0.000 . . . . . . A 6 SER CA . 30669 1
63 . 1 . 1 6 6 SER CB C 13 62.612 0.009 . . . . . . A 6 SER CB . 30669 1
64 . 1 . 1 6 6 SER N N 15 113.722 0.000 . . . . . . A 6 SER N . 30669 1
65 . 1 . 1 7 7 ILE H H 1 8.243 0.003 . . . . . . A 7 ILE H . 30669 1
66 . 1 . 1 7 7 ILE HA H 1 4.275 0.001 . . . . . . A 7 ILE HA . 30669 1
67 . 1 . 1 7 7 ILE HB H 1 1.775 0.002 . . . . . . A 7 ILE HB . 30669 1
68 . 1 . 1 7 7 ILE HG12 H 1 1.041 0.005 . . . . . . A 7 ILE HG12 . 30669 1
69 . 1 . 1 7 7 ILE HG13 H 1 1.438 0.005 . . . . . . A 7 ILE HG13 . 30669 1
70 . 1 . 1 7 7 ILE HG21 H 1 0.821 0.003 . . . . . . A 7 ILE HG21 . 30669 1
71 . 1 . 1 7 7 ILE HG22 H 1 0.821 0.003 . . . . . . A 7 ILE HG22 . 30669 1
72 . 1 . 1 7 7 ILE HG23 H 1 0.821 0.003 . . . . . . A 7 ILE HG23 . 30669 1
73 . 1 . 1 7 7 ILE HD11 H 1 0.823 0.003 . . . . . . A 7 ILE HD11 . 30669 1
74 . 1 . 1 7 7 ILE HD12 H 1 0.823 0.003 . . . . . . A 7 ILE HD12 . 30669 1
75 . 1 . 1 7 7 ILE HD13 H 1 0.823 0.003 . . . . . . A 7 ILE HD13 . 30669 1
76 . 1 . 1 7 7 ILE CA C 13 55.092 0.000 . . . . . . A 7 ILE CA . 30669 1
77 . 1 . 1 7 7 ILE CB C 13 36.698 0.000 . . . . . . A 7 ILE CB . 30669 1
78 . 1 . 1 7 7 ILE CG1 C 13 24.268 0.005 . . . . . . A 7 ILE CG1 . 30669 1
79 . 1 . 1 7 7 ILE CG2 C 13 14.253 0.000 . . . . . . A 7 ILE CG2 . 30669 1
80 . 1 . 1 7 7 ILE CD1 C 13 10.027 0.000 . . . . . . A 7 ILE CD1 . 30669 1
81 . 1 . 1 7 7 ILE N N 15 119.139 0.000 . . . . . . A 7 ILE N . 30669 1
82 . 1 . 1 8 8 PRO HA H 1 5.081 0.004 . . . . . . A 8 PRO HA . 30669 1
83 . 1 . 1 8 8 PRO HB2 H 1 2.013 0.003 . . . . . . A 8 PRO HB2 . 30669 1
84 . 1 . 1 8 8 PRO HB3 H 1 2.438 0.003 . . . . . . A 8 PRO HB3 . 30669 1
85 . 1 . 1 8 8 PRO HG2 H 1 1.799 0.005 . . . . . . A 8 PRO HG2 . 30669 1
86 . 1 . 1 8 8 PRO HG3 H 1 1.940 0.004 . . . . . . A 8 PRO HG3 . 30669 1
87 . 1 . 1 8 8 PRO HD2 H 1 3.529 0.007 . . . . . . A 8 PRO HD2 . 30669 1
88 . 1 . 1 8 8 PRO HD3 H 1 3.529 0.007 . . . . . . A 8 PRO HD3 . 30669 1
89 . 1 . 1 8 8 PRO CA C 13 59.558 0.000 . . . . . . A 8 PRO CA . 30669 1
90 . 1 . 1 8 8 PRO CB C 13 30.346 0.013 . . . . . . A 8 PRO CB . 30669 1
91 . 1 . 1 8 8 PRO CG C 13 22.012 0.001 . . . . . . A 8 PRO CG . 30669 1
92 . 1 . 1 8 8 PRO CD C 13 47.252 0.000 . . . . . . A 8 PRO CD . 30669 1
93 . 1 . 1 9 9 PRO HA H 1 4.029 0.002 . . . . . . A 9 PRO HA . 30669 1
94 . 1 . 1 9 9 PRO HB2 H 1 1.483 0.005 . . . . . . A 9 PRO HB2 . 30669 1
95 . 1 . 1 9 9 PRO HB3 H 1 2.220 0.004 . . . . . . A 9 PRO HB3 . 30669 1
96 . 1 . 1 9 9 PRO HG2 H 1 2.108 0.001 . . . . . . A 9 PRO HG2 . 30669 1
97 . 1 . 1 9 9 PRO HG3 H 1 2.111 0.003 . . . . . . A 9 PRO HG3 . 30669 1
98 . 1 . 1 9 9 PRO HD2 H 1 3.689 0.003 . . . . . . A 9 PRO HD2 . 30669 1
99 . 1 . 1 9 9 PRO HD3 H 1 3.754 0.002 . . . . . . A 9 PRO HD3 . 30669 1
100 . 1 . 1 9 9 PRO CA C 13 60.579 0.000 . . . . . . A 9 PRO CA . 30669 1
101 . 1 . 1 9 9 PRO CB C 13 29.625 0.030 . . . . . . A 9 PRO CB . 30669 1
102 . 1 . 1 9 9 PRO CG C 13 24.693 0.000 . . . . . . A 9 PRO CG . 30669 1
103 . 1 . 1 9 9 PRO CD C 13 47.928 0.006 . . . . . . A 9 PRO CD . 30669 1
104 . 1 . 1 10 10 ARG H H 1 7.304 0.001 . . . . . . A 10 ARG H . 30669 1
105 . 1 . 1 10 10 ARG HA H 1 4.315 0.003 . . . . . . A 10 ARG HA . 30669 1
106 . 1 . 1 10 10 ARG HB2 H 1 1.457 0.005 . . . . . . A 10 ARG HB2 . 30669 1
107 . 1 . 1 10 10 ARG HB3 H 1 1.457 0.005 . . . . . . A 10 ARG HB3 . 30669 1
108 . 1 . 1 10 10 ARG HG2 H 1 1.254 0.004 . . . . . . A 10 ARG HG2 . 30669 1
109 . 1 . 1 10 10 ARG HG3 H 1 1.372 0.006 . . . . . . A 10 ARG HG3 . 30669 1
110 . 1 . 1 10 10 ARG HD2 H 1 3.030 0.002 . . . . . . A 10 ARG HD2 . 30669 1
111 . 1 . 1 10 10 ARG HD3 H 1 3.030 0.001 . . . . . . A 10 ARG HD3 . 30669 1
112 . 1 . 1 10 10 ARG HE H 1 6.971 0.001 . . . . . . A 10 ARG HE . 30669 1
113 . 1 . 1 10 10 ARG CA C 13 51.285 0.000 . . . . . . A 10 ARG CA . 30669 1
114 . 1 . 1 10 10 ARG CB C 13 29.716 0.000 . . . . . . A 10 ARG CB . 30669 1
115 . 1 . 1 10 10 ARG CG C 13 24.278 0.003 . . . . . . A 10 ARG CG . 30669 1
116 . 1 . 1 10 10 ARG CD C 13 40.527 0.000 . . . . . . A 10 ARG CD . 30669 1
117 . 1 . 1 10 10 ARG N N 15 119.221 0.000 . . . . . . A 10 ARG N . 30669 1
118 . 1 . 1 10 10 ARG NE N 15 124.894 0.000 . . . . . . A 10 ARG NE . 30669 1
119 . 1 . 1 11 11 ALA H H 1 8.599 0.002 . . . . . . A 11 ALA H . 30669 1
120 . 1 . 1 11 11 ALA HA H 1 5.414 0.009 . . . . . . A 11 ALA HA . 30669 1
121 . 1 . 1 11 11 ALA HB1 H 1 2.973 0.004 . . . . . . A 11 ALA HB1 . 30669 1
122 . 1 . 1 11 11 ALA HB2 H 1 3.160 0.004 . . . . . . A 11 ALA HB2 . 30669 1
123 . 1 . 1 11 11 ALA HB3 H 1 3.160 0.004 . . . . . . A 11 ALA HB2 . 30669 1
124 . 1 . 1 11 11 ALA CA C 13 50.886 0.000 . . . . . . A 11 ALA CA . 30669 1
125 . 1 . 1 11 11 ALA CB C 13 25.800 0.009 . . . . . . A 11 ALA CB . 30669 1
126 . 1 . 1 11 11 ALA N N 15 118.043 0.000 . . . . . . A 11 ALA N . 30669 1
127 . 1 . 1 12 12 PHE H H 1 8.902 0.001 . . . . . . A 12 PHE H . 30669 1
128 . 1 . 1 12 12 PHE HA H 1 4.956 0.002 . . . . . . A 12 PHE HA . 30669 1
129 . 1 . 1 12 12 PHE HB2 H 1 2.963 0.002 . . . . . . A 12 PHE HB2 . 30669 1
130 . 1 . 1 12 12 PHE HB3 H 1 3.410 0.005 . . . . . . A 12 PHE HB3 . 30669 1
131 . 1 . 1 12 12 PHE HD1 H 1 7.219 0.002 . . . . . . A 12 PHE HD1 . 30669 1
132 . 1 . 1 12 12 PHE HD2 H 1 7.219 0.002 . . . . . . A 12 PHE HD2 . 30669 1
133 . 1 . 1 12 12 PHE HE1 H 1 7.176 0.002 . . . . . . A 12 PHE HE1 . 30669 1
134 . 1 . 1 12 12 PHE HE2 H 1 7.176 0.002 . . . . . . A 12 PHE HE2 . 30669 1
135 . 1 . 1 12 12 PHE CA C 13 54.198 0.000 . . . . . . A 12 PHE CA . 30669 1
136 . 1 . 1 12 12 PHE CB C 13 36.964 0.023 . . . . . . A 12 PHE CB . 30669 1
137 . 1 . 1 12 12 PHE CD2 C 13 129.193 0.000 . . . . . . A 12 PHE CD2 . 30669 1
138 . 1 . 1 12 12 PHE CE2 C 13 128.380 0.000 . . . . . . A 12 PHE CE2 . 30669 1
139 . 1 . 1 12 12 PHE N N 15 121.756 0.000 . . . . . . A 12 PHE N . 30669 1
140 . 1 . 1 13 13 PRO HA H 1 4.416 0.003 . . . . . . A 13 PRO HA . 30669 1
141 . 1 . 1 13 13 PRO HB2 H 1 2.026 0.002 . . . . . . A 13 PRO HB2 . 30669 1
142 . 1 . 1 13 13 PRO HB3 H 1 2.466 0.002 . . . . . . A 13 PRO HB3 . 30669 1
143 . 1 . 1 13 13 PRO HG2 H 1 2.100 0.003 . . . . . . A 13 PRO HG2 . 30669 1
144 . 1 . 1 13 13 PRO HG3 H 1 2.215 0.001 . . . . . . A 13 PRO HG3 . 30669 1
145 . 1 . 1 13 13 PRO HD2 H 1 4.078 0.004 . . . . . . A 13 PRO HD2 . 30669 1
146 . 1 . 1 13 13 PRO HD3 H 1 4.078 0.004 . . . . . . A 13 PRO HD3 . 30669 1
147 . 1 . 1 13 13 PRO CA C 13 62.751 0.000 . . . . . . A 13 PRO CA . 30669 1
148 . 1 . 1 13 13 PRO CB C 13 29.147 0.000 . . . . . . A 13 PRO CB . 30669 1
149 . 1 . 1 13 13 PRO CG C 13 24.993 0.018 . . . . . . A 13 PRO CG . 30669 1
150 . 1 . 1 13 13 PRO CD C 13 48.579 0.000 . . . . . . A 13 PRO CD . 30669 1
151 . 1 . 1 14 14 ASP H H 1 7.822 0.001 . . . . . . A 14 ASP H . 30669 1
152 . 1 . 1 14 14 ASP HA H 1 4.531 0.002 . . . . . . A 14 ASP HA . 30669 1
153 . 1 . 1 14 14 ASP HB2 H 1 2.736 0.001 . . . . . . A 14 ASP HB2 . 30669 1
154 . 1 . 1 14 14 ASP HB3 H 1 3.130 0.002 . . . . . . A 14 ASP HB3 . 30669 1
155 . 1 . 1 14 14 ASP CA C 13 50.680 0.000 . . . . . . A 14 ASP CA . 30669 1
156 . 1 . 1 14 14 ASP CB C 13 36.353 0.009 . . . . . . A 14 ASP CB . 30669 1
157 . 1 . 1 14 14 ASP N N 15 113.717 0.000 . . . . . . A 14 ASP N . 30669 1
158 . 2 . 2 1 1 WMH C C 13 44.166 0.019 . . . . . . A 101 WMH C . 30669 1
159 . 2 . 2 1 1 WMH H2 H 1 4.535 0.004 . . . . . . A 101 WMH H2 . 30669 1
160 . 2 . 2 1 1 WMH H1 H 1 4.309 0.003 . . . . . . A 101 WMH H1 . 30669 1
161 . 2 . 2 1 1 WMH H5 H 1 7.420 0.000 . . . . . . A 101 WMH H5 . 30669 1
stop_
save_