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 30775
_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 NOESY' . . . 30775 1
2 '2D 1H-1H TOCSY' . . . 30775 1
3 '2D 1H-13C HSQC' . . . 30775 1
4 '2D 1H-15N HSQC' . . . 30775 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 ILE HA H 1 3.671 0.000 . 1 . . . . A 1 ILE HA . 30775 1
2 . 1 . 1 1 1 ILE HB H 1 1.827 0.003 . 1 . . . . A 1 ILE HB . 30775 1
3 . 1 . 1 1 1 ILE HG12 H 1 1.406 0.007 . 2 . . . . A 1 ILE HG12 . 30775 1
4 . 1 . 1 1 1 ILE HG13 H 1 1.127 0.001 . 2 . . . . A 1 ILE HG13 . 30775 1
5 . 1 . 1 1 1 ILE HG21 H 1 0.803 0.004 . . . . . . A 1 ILE HG21 . 30775 1
6 . 1 . 1 1 1 ILE HG22 H 1 0.803 0.004 . . . . . . A 1 ILE HG22 . 30775 1
7 . 1 . 1 1 1 ILE HG23 H 1 0.803 0.004 . . . . . . A 1 ILE HG23 . 30775 1
8 . 1 . 1 1 1 ILE HD11 H 1 0.871 0.002 . . . . . . A 1 ILE HD11 . 30775 1
9 . 1 . 1 1 1 ILE HD12 H 1 0.871 0.002 . . . . . . A 1 ILE HD12 . 30775 1
10 . 1 . 1 1 1 ILE HD13 H 1 0.871 0.002 . . . . . . A 1 ILE HD13 . 30775 1
11 . 1 . 1 1 1 ILE CA C 13 63.214 0.000 . 1 . . . . A 1 ILE CA . 30775 1
12 . 1 . 1 1 1 ILE CB C 13 42.049 0.000 . 1 . . . . A 1 ILE CB . 30775 1
13 . 1 . 1 1 1 ILE CG1 C 13 29.471 0.014 . 1 . . . . A 1 ILE CG1 . 30775 1
14 . 1 . 1 1 1 ILE CG2 C 13 18.973 0.000 . 1 . . . . A 1 ILE CG2 . 30775 1
15 . 1 . 1 1 1 ILE CD1 C 13 15.600 0.000 . 1 . . . . A 1 ILE CD1 . 30775 1
16 . 1 . 1 2 2 PHE HA H 1 4.691 0.000 . 1 . . . . A 2 PHE HA . 30775 1
17 . 1 . 1 2 2 PHE HB2 H 1 3.091 0.004 . 2 . . . . A 2 PHE HB2 . 30775 1
18 . 1 . 1 2 2 PHE HB3 H 1 3.028 0.003 . 2 . . . . A 2 PHE HB3 . 30775 1
19 . 1 . 1 2 2 PHE CA C 13 60.549 0.000 . 1 . . . . A 2 PHE CA . 30775 1
20 . 1 . 1 2 2 PHE CB C 13 42.263 0.005 . 1 . . . . A 2 PHE CB . 30775 1
21 . 1 . 1 3 3 TRP H H 1 7.705 0.001 . 1 . . . . A 3 TRP H . 30775 1
22 . 1 . 1 3 3 TRP HA H 1 4.520 0.004 . 1 . . . . A 3 TRP HA . 30775 1
23 . 1 . 1 3 3 TRP HB2 H 1 3.152 0.003 . 2 . . . . A 3 TRP HB2 . 30775 1
24 . 1 . 1 3 3 TRP HB3 H 1 3.152 0.003 . 2 . . . . A 3 TRP HB3 . 30775 1
25 . 1 . 1 3 3 TRP CA C 13 60.397 0.000 . 1 . . . . A 3 TRP CA . 30775 1
26 . 1 . 1 3 3 TRP CB C 13 32.129 0.000 . 1 . . . . A 3 TRP CB . 30775 1
27 . 1 . 1 3 3 TRP N N 15 123.318 0.000 . 1 . . . . A 3 TRP N . 30775 1
28 . 1 . 1 3 3 TRP NE1 N 15 128.394 0.000 . 1 . . . . A 3 TRP NE1 . 30775 1
29 . 1 . 1 4 4 LEU H H 1 6.973 0.001 . 1 . . . . A 4 LEU H . 30775 1
30 . 1 . 1 4 4 LEU HA H 1 4.062 0.003 . 1 . . . . A 4 LEU HA . 30775 1
31 . 1 . 1 4 4 LEU HB2 H 1 1.206 0.011 . 2 . . . . A 4 LEU HB2 . 30775 1
32 . 1 . 1 4 4 LEU HB3 H 1 1.109 0.003 . 2 . . . . A 4 LEU HB3 . 30775 1
33 . 1 . 1 4 4 LEU HG H 1 1.190 0.013 . 1 . . . . A 4 LEU HG . 30775 1
34 . 1 . 1 4 4 LEU HD11 H 1 0.793 0.003 . . . . . . A 4 LEU HD11 . 30775 1
35 . 1 . 1 4 4 LEU HD12 H 1 0.793 0.003 . . . . . . A 4 LEU HD12 . 30775 1
36 . 1 . 1 4 4 LEU HD13 H 1 0.793 0.003 . . . . . . A 4 LEU HD13 . 30775 1
37 . 1 . 1 4 4 LEU HD21 H 1 0.718 0.004 . . . . . . A 4 LEU HD21 . 30775 1
38 . 1 . 1 4 4 LEU HD22 H 1 0.718 0.004 . . . . . . A 4 LEU HD22 . 30775 1
39 . 1 . 1 4 4 LEU HD23 H 1 0.718 0.004 . . . . . . A 4 LEU HD23 . 30775 1
40 . 1 . 1 4 4 LEU CA C 13 58.371 0.000 . 1 . . . . A 4 LEU CA . 30775 1
41 . 1 . 1 4 4 LEU CB C 13 45.252 0.006 . 1 . . . . A 4 LEU CB . 30775 1
42 . 1 . 1 4 4 LEU CG C 13 29.375 0.000 . 1 . . . . A 4 LEU CG . 30775 1
43 . 1 . 1 4 4 LEU CD1 C 13 26.698 0.000 . 2 . . . . A 4 LEU CD1 . 30775 1
44 . 1 . 1 4 4 LEU CD2 C 13 26.072 0.000 . 2 . . . . A 4 LEU CD2 . 30775 1
45 . 1 . 1 4 4 LEU N N 15 121.833 0.000 . 1 . . . . A 4 LEU N . 30775 1
46 . 1 . 1 5 5 PHE H H 1 7.566 0.001 . 1 . . . . A 5 PHE H . 30775 1
47 . 1 . 1 5 5 PHE HA H 1 4.600 0.005 . 1 . . . . A 5 PHE HA . 30775 1
48 . 1 . 1 5 5 PHE HB2 H 1 3.211 0.006 . 2 . . . . A 5 PHE HB2 . 30775 1
49 . 1 . 1 5 5 PHE HB3 H 1 2.968 0.003 . 2 . . . . A 5 PHE HB3 . 30775 1
50 . 1 . 1 5 5 PHE CA C 13 60.069 0.000 . 1 . . . . A 5 PHE CA . 30775 1
51 . 1 . 1 5 5 PHE CB C 13 41.825 0.016 . 1 . . . . A 5 PHE CB . 30775 1
52 . 1 . 1 5 5 PHE N N 15 117.929 0.000 . 1 . . . . A 5 PHE N . 30775 1
53 . 1 . 1 6 6 ARG H H 1 7.998 0.002 . 1 . . . . A 6 ARG H . 30775 1
54 . 1 . 1 6 6 ARG HA H 1 4.268 0.003 . 1 . . . . A 6 ARG HA . 30775 1
55 . 1 . 1 6 6 ARG HB2 H 1 1.895 0.004 . 2 . . . . A 6 ARG HB2 . 30775 1
56 . 1 . 1 6 6 ARG HB3 H 1 1.754 0.004 . 2 . . . . A 6 ARG HB3 . 30775 1
57 . 1 . 1 6 6 ARG HG2 H 1 1.605 0.003 . 2 . . . . A 6 ARG HG2 . 30775 1
58 . 1 . 1 6 6 ARG HG3 H 1 1.605 0.003 . 2 . . . . A 6 ARG HG3 . 30775 1
59 . 1 . 1 6 6 ARG HD2 H 1 3.149 0.003 . 2 . . . . A 6 ARG HD2 . 30775 1
60 . 1 . 1 6 6 ARG HD3 H 1 3.149 0.003 . 2 . . . . A 6 ARG HD3 . 30775 1
61 . 1 . 1 6 6 ARG CA C 13 59.213 0.000 . 1 . . . . A 6 ARG CA . 30775 1
62 . 1 . 1 6 6 ARG CB C 13 33.290 0.006 . 1 . . . . A 6 ARG CB . 30775 1
63 . 1 . 1 6 6 ARG CG C 13 29.689 0.000 . 1 . . . . A 6 ARG CG . 30775 1
64 . 1 . 1 6 6 ARG CD C 13 46.016 0.000 . 1 . . . . A 6 ARG CD . 30775 1
65 . 1 . 1 6 6 ARG N N 15 121.321 0.000 . 1 . . . . A 6 ARG N . 30775 1
66 . 1 . 1 7 7 GLY H H 1 7.955 0.001 . 1 . . . . A 7 GLY H . 30775 1
67 . 1 . 1 7 7 GLY HA2 H 1 3.970 0.004 . 2 . . . . A 7 GLY HA2 . 30775 1
68 . 1 . 1 7 7 GLY HA3 H 1 3.903 0.005 . 2 . . . . A 7 GLY HA3 . 30775 1
69 . 1 . 1 7 7 GLY CA C 13 48.019 0.012 . 1 . . . . A 7 GLY CA . 30775 1
70 . 1 . 1 7 7 GLY N N 15 108.423 0.000 . 1 . . . . A 7 GLY N . 30775 1
71 . 1 . 1 8 8 LYS H H 1 8.030 0.001 . 1 . . . . A 8 LYS H . 30775 1
72 . 1 . 1 8 8 LYS HA H 1 4.349 0.005 . 1 . . . . A 8 LYS HA . 30775 1
73 . 1 . 1 8 8 LYS HB2 H 1 1.907 0.002 . 2 . . . . A 8 LYS HB2 . 30775 1
74 . 1 . 1 8 8 LYS HB3 H 1 1.801 0.002 . 2 . . . . A 8 LYS HB3 . 30775 1
75 . 1 . 1 8 8 LYS HG2 H 1 1.476 0.003 . 2 . . . . A 8 LYS HG2 . 30775 1
76 . 1 . 1 8 8 LYS HG3 H 1 1.476 0.003 . 2 . . . . A 8 LYS HG3 . 30775 1
77 . 1 . 1 8 8 LYS HD2 H 1 1.713 0.009 . 2 . . . . A 8 LYS HD2 . 30775 1
78 . 1 . 1 8 8 LYS HD3 H 1 1.713 0.009 . 2 . . . . A 8 LYS HD3 . 30775 1
79 . 1 . 1 8 8 LYS HE2 H 1 3.013 0.006 . 2 . . . . A 8 LYS HE2 . 30775 1
80 . 1 . 1 8 8 LYS HE3 H 1 3.013 0.006 . 2 . . . . A 8 LYS HE3 . 30775 1
81 . 1 . 1 8 8 LYS CA C 13 59.324 0.000 . 1 . . . . A 8 LYS CA . 30775 1
82 . 1 . 1 8 8 LYS CB C 13 35.940 0.010 . 1 . . . . A 8 LYS CB . 30775 1
83 . 1 . 1 8 8 LYS CG C 13 27.395 0.000 . 1 . . . . A 8 LYS CG . 30775 1
84 . 1 . 1 8 8 LYS CD C 13 31.795 0.000 . 1 . . . . A 8 LYS CD . 30775 1
85 . 1 . 1 8 8 LYS CE C 13 44.839 0.000 . 1 . . . . A 8 LYS CE . 30775 1
86 . 1 . 1 8 8 LYS N N 15 120.272 0.000 . 1 . . . . A 8 LYS N . 30775 1
87 . 1 . 1 9 9 ALA H H 1 8.210 0.001 . 1 . . . . A 9 ALA H . 30775 1
88 . 1 . 1 9 9 ALA HA H 1 4.323 0.010 . 1 . . . . A 9 ALA HA . 30775 1
89 . 1 . 1 9 9 ALA HB1 H 1 1.398 0.004 . . . . . . A 9 ALA HB1 . 30775 1
90 . 1 . 1 9 9 ALA HB2 H 1 1.398 0.004 . . . . . . A 9 ALA HB2 . 30775 1
91 . 1 . 1 9 9 ALA HB3 H 1 1.398 0.004 . . . . . . A 9 ALA HB3 . 30775 1
92 . 1 . 1 9 9 ALA CA C 13 55.583 0.000 . 1 . . . . A 9 ALA CA . 30775 1
93 . 1 . 1 9 9 ALA CB C 13 21.608 0.000 . 1 . . . . A 9 ALA CB . 30775 1
94 . 1 . 1 9 9 ALA N N 15 123.485 0.000 . 1 . . . . A 9 ALA N . 30775 1
95 . 1 . 1 10 10 ASP H H 1 8.154 0.001 . 1 . . . . A 10 ASP H . 30775 1
96 . 1 . 1 10 10 ASP HA H 1 4.622 0.005 . 1 . . . . A 10 ASP HA . 30775 1
97 . 1 . 1 10 10 ASP HB2 H 1 2.726 0.023 . 2 . . . . A 10 ASP HB2 . 30775 1
98 . 1 . 1 10 10 ASP HB3 H 1 2.702 0.003 . 2 . . . . A 10 ASP HB3 . 30775 1
99 . 1 . 1 10 10 ASP CA C 13 57.191 0.000 . 1 . . . . A 10 ASP CA . 30775 1
100 . 1 . 1 10 10 ASP CB C 13 43.312 0.002 . 1 . . . . A 10 ASP CB . 30775 1
101 . 1 . 1 10 10 ASP N N 15 118.008 0.000 . 1 . . . . A 10 ASP N . 30775 1
102 . 1 . 1 11 11 VAL H H 1 7.793 0.001 . 1 . . . . A 11 VAL H . 30775 1
103 . 1 . 1 11 11 VAL HA H 1 4.072 0.003 . 1 . . . . A 11 VAL HA . 30775 1
104 . 1 . 1 11 11 VAL HB H 1 2.140 0.003 . 1 . . . . A 11 VAL HB . 30775 1
105 . 1 . 1 11 11 VAL HG11 H 1 0.962 0.002 . . . . . . A 11 VAL HG11 . 30775 1
106 . 1 . 1 11 11 VAL HG12 H 1 0.962 0.002 . . . . . . A 11 VAL HG12 . 30775 1
107 . 1 . 1 11 11 VAL HG13 H 1 0.962 0.002 . . . . . . A 11 VAL HG13 . 30775 1
108 . 1 . 1 11 11 VAL HG21 H 1 0.962 0.002 . . . . . . A 11 VAL HG21 . 30775 1
109 . 1 . 1 11 11 VAL HG22 H 1 0.962 0.002 . . . . . . A 11 VAL HG22 . 30775 1
110 . 1 . 1 11 11 VAL HG23 H 1 0.962 0.002 . . . . . . A 11 VAL HG23 . 30775 1
111 . 1 . 1 11 11 VAL CA C 13 65.571 0.000 . 1 . . . . A 11 VAL CA . 30775 1
112 . 1 . 1 11 11 VAL CB C 13 35.421 0.000 . 1 . . . . A 11 VAL CB . 30775 1
113 . 1 . 1 11 11 VAL CG1 C 13 23.521 0.000 . 2 . . . . A 11 VAL CG1 . 30775 1
114 . 1 . 1 11 11 VAL CG2 C 13 23.521 0.000 . 2 . . . . A 11 VAL CG2 . 30775 1
115 . 1 . 1 11 11 VAL N N 15 118.837 0.000 . 1 . . . . A 11 VAL N . 30775 1
116 . 1 . 1 12 12 ALA H H 1 8.113 0.002 . 1 . . . . A 12 ALA H . 30775 1
117 . 1 . 1 12 12 ALA HA H 1 4.324 0.004 . 1 . . . . A 12 ALA HA . 30775 1
118 . 1 . 1 12 12 ALA HB1 H 1 1.401 0.003 . . . . . . A 12 ALA HB1 . 30775 1
119 . 1 . 1 12 12 ALA HB2 H 1 1.401 0.003 . . . . . . A 12 ALA HB2 . 30775 1
120 . 1 . 1 12 12 ALA HB3 H 1 1.401 0.003 . . . . . . A 12 ALA HB3 . 30775 1
121 . 1 . 1 12 12 ALA CA C 13 55.583 0.000 . 1 . . . . A 12 ALA CA . 30775 1
122 . 1 . 1 12 12 ALA CB C 13 21.608 0.000 . 1 . . . . A 12 ALA CB . 30775 1
123 . 1 . 1 12 12 ALA N N 15 125.138 0.000 . 1 . . . . A 12 ALA N . 30775 1
124 . 1 . 1 13 13 LEU H H 1 7.825 0.001 . 1 . . . . A 13 LEU H . 30775 1
125 . 1 . 1 13 13 LEU HA H 1 4.322 0.005 . 1 . . . . A 13 LEU HA . 30775 1
126 . 1 . 1 13 13 LEU HB2 H 1 1.703 0.005 . 2 . . . . A 13 LEU HB2 . 30775 1
127 . 1 . 1 13 13 LEU HB3 H 1 1.628 0.003 . 2 . . . . A 13 LEU HB3 . 30775 1
128 . 1 . 1 13 13 LEU HG H 1 1.695 0.010 . 1 . . . . A 13 LEU HG . 30775 1
129 . 1 . 1 13 13 LEU HD11 H 1 0.888 0.003 . . . . . . A 13 LEU HD11 . 30775 1
130 . 1 . 1 13 13 LEU HD12 H 1 0.888 0.003 . . . . . . A 13 LEU HD12 . 30775 1
131 . 1 . 1 13 13 LEU HD13 H 1 0.888 0.003 . . . . . . A 13 LEU HD13 . 30775 1
132 . 1 . 1 13 13 LEU HD21 H 1 0.888 0.003 . . . . . . A 13 LEU HD21 . 30775 1
133 . 1 . 1 13 13 LEU HD22 H 1 0.888 0.003 . . . . . . A 13 LEU HD22 . 30775 1
134 . 1 . 1 13 13 LEU HD23 H 1 0.888 0.003 . . . . . . A 13 LEU HD23 . 30775 1
135 . 1 . 1 13 13 LEU CA C 13 57.691 0.000 . 1 . . . . A 13 LEU CA . 30775 1
136 . 1 . 1 13 13 LEU CB C 13 45.368 0.005 . 1 . . . . A 13 LEU CB . 30775 1
137 . 1 . 1 13 13 LEU CG C 13 29.732 0.000 . 1 . . . . A 13 LEU CG . 30775 1
138 . 1 . 1 13 13 LEU CD1 C 13 25.505 0.000 . 2 . . . . A 13 LEU CD1 . 30775 1
139 . 1 . 1 13 13 LEU CD2 C 13 25.505 0.000 . 2 . . . . A 13 LEU CD2 . 30775 1
140 . 1 . 1 13 13 LEU N N 15 119.912 0.000 . 1 . . . . A 13 LEU N . 30775 1
stop_
save_