Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11551
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 'spectral resolution'
_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' 1 $sample_1 isotropic 11551 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11551 1
4 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 11551 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.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 HA2 H 1 3.804 0.010 . 2 . . . A 1 GLY HA2 . 11551 1
2 . 1 1 1 1 GLY HA3 H 1 3.861 0.010 . 2 . . . A 1 GLY HA3 . 11551 1
3 . 1 1 1 1 GLY CA C 13 44.167 0.100 . 1 . . . A 1 GLY CA . 11551 1
4 . 1 1 2 2 LEU HA H 1 3.977 0.010 . 1 . . . A 2 LEU HA . 11551 1
5 . 1 1 2 2 LEU HB2 H 1 1.699 0.010 . 2 . . . A 2 LEU HB2 . 11551 1
6 . 1 1 2 2 LEU HB3 H 1 1.606 0.010 . 2 . . . A 2 LEU HB3 . 11551 1
7 . 1 1 2 2 LEU HD11 H 1 0.917 0.010 . 2 . . . A 2 LEU HD11 . 11551 1
8 . 1 1 2 2 LEU HD12 H 1 0.917 0.010 . 2 . . . A 2 LEU HD12 . 11551 1
9 . 1 1 2 2 LEU HD13 H 1 0.917 0.010 . 2 . . . A 2 LEU HD13 . 11551 1
10 . 1 1 2 2 LEU HD21 H 1 0.879 0.010 . 2 . . . A 2 LEU HD21 . 11551 1
11 . 1 1 2 2 LEU HD22 H 1 0.879 0.010 . 2 . . . A 2 LEU HD22 . 11551 1
12 . 1 1 2 2 LEU HD23 H 1 0.879 0.010 . 2 . . . A 2 LEU HD23 . 11551 1
13 . 1 1 2 2 LEU CA C 13 58.450 0.100 . 1 . . . A 2 LEU CA . 11551 1
14 . 1 1 2 2 LEU CB C 13 42.535 0.100 . 1 . . . A 2 LEU CB . 11551 1
15 . 1 1 3 3 LEU H H 1 8.833 0.010 . 1 . . . A 3 LEU H . 11551 1
16 . 1 1 3 3 LEU HA H 1 3.934 0.010 . 1 . . . A 3 LEU HA . 11551 1
17 . 1 1 3 3 LEU HB2 H 1 1.705 0.010 . 2 . . . A 3 LEU HB2 . 11551 1
18 . 1 1 3 3 LEU HB3 H 1 1.560 0.010 . 2 . . . A 3 LEU HB3 . 11551 1
19 . 1 1 3 3 LEU HD11 H 1 0.908 0.010 . 2 . . . A 3 LEU HD11 . 11551 1
20 . 1 1 3 3 LEU HD12 H 1 0.908 0.010 . 2 . . . A 3 LEU HD12 . 11551 1
21 . 1 1 3 3 LEU HD13 H 1 0.908 0.010 . 2 . . . A 3 LEU HD13 . 11551 1
22 . 1 1 3 3 LEU HD21 H 1 0.846 0.010 . 2 . . . A 3 LEU HD21 . 11551 1
23 . 1 1 3 3 LEU HD22 H 1 0.846 0.010 . 2 . . . A 3 LEU HD22 . 11551 1
24 . 1 1 3 3 LEU HD23 H 1 0.846 0.010 . 2 . . . A 3 LEU HD23 . 11551 1
25 . 1 1 3 3 LEU CA C 13 58.777 0.100 . 1 . . . A 3 LEU CA . 11551 1
26 . 1 1 3 3 LEU CB C 13 40.744 0.100 . 1 . . . A 3 LEU CB . 11551 1
27 . 1 1 3 3 LEU CD1 C 13 24.718 0.100 . 2 . . . A 3 LEU CD1 . 11551 1
28 . 1 1 3 3 LEU CD2 C 13 24.161 0.100 . 2 . . . A 3 LEU CD2 . 11551 1
29 . 1 1 4 4 LYS H H 1 7.998 0.010 . 1 . . . A 4 LYS H . 11551 1
30 . 1 1 4 4 LYS HA H 1 3.864 0.010 . 1 . . . A 4 LYS HA . 11551 1
31 . 1 1 4 4 LYS HB2 H 1 1.812 0.010 . 2 . . . A 4 LYS HB2 . 11551 1
32 . 1 1 4 4 LYS HB3 H 1 1.812 0.010 . 2 . . . A 4 LYS HB3 . 11551 1
33 . 1 1 4 4 LYS HG2 H 1 1.385 0.010 . 2 . . . A 4 LYS HG2 . 11551 1
34 . 1 1 4 4 LYS HG3 H 1 1.385 0.010 . 2 . . . A 4 LYS HG3 . 11551 1
35 . 1 1 4 4 LYS HD2 H 1 1.623 0.010 . 2 . . . A 4 LYS HD2 . 11551 1
36 . 1 1 4 4 LYS HD3 H 1 1.623 0.010 . 2 . . . A 4 LYS HD3 . 11551 1
37 . 1 1 4 4 LYS HE2 H 1 2.912 0.010 . 2 . . . A 4 LYS HE2 . 11551 1
38 . 1 1 4 4 LYS HE3 H 1 2.912 0.010 . 2 . . . A 4 LYS HE3 . 11551 1
39 . 1 1 4 4 LYS CA C 13 59.433 0.100 . 1 . . . A 4 LYS CA . 11551 1
40 . 1 1 4 4 LYS CB C 13 32.179 0.100 . 1 . . . A 4 LYS CB . 11551 1
41 . 1 1 4 4 LYS CG C 13 25.074 0.100 . 1 . . . A 4 LYS CG . 11551 1
42 . 1 1 4 4 LYS CD C 13 29.428 0.100 . 1 . . . A 4 LYS CD . 11551 1
43 . 1 1 4 4 LYS CE C 13 42.134 0.100 . 1 . . . A 4 LYS CE . 11551 1
44 . 1 1 5 5 ARG H H 1 7.816 0.010 . 1 . . . A 5 ARG H . 11551 1
45 . 1 1 5 5 ARG HA H 1 4.053 0.010 . 1 . . . A 5 ARG HA . 11551 1
46 . 1 1 5 5 ARG HB2 H 1 1.968 0.010 . 2 . . . A 5 ARG HB2 . 11551 1
47 . 1 1 5 5 ARG HB3 H 1 1.968 0.010 . 2 . . . A 5 ARG HB3 . 11551 1
48 . 1 1 5 5 ARG HG2 H 1 1.735 0.010 . 2 . . . A 5 ARG HG2 . 11551 1
49 . 1 1 5 5 ARG HG3 H 1 1.654 0.010 . 2 . . . A 5 ARG HG3 . 11551 1
50 . 1 1 5 5 ARG HD2 H 1 3.143 0.010 . 2 . . . A 5 ARG HD2 . 11551 1
51 . 1 1 5 5 ARG HD3 H 1 3.075 0.010 . 2 . . . A 5 ARG HD3 . 11551 1
52 . 1 1 5 5 ARG CA C 13 58.974 0.100 . 1 . . . A 5 ARG CA . 11551 1
53 . 1 1 5 5 ARG CB C 13 29.950 0.100 . 1 . . . A 5 ARG CB . 11551 1
54 . 1 1 5 5 ARG CG C 13 27.200 0.100 . 1 . . . A 5 ARG CG . 11551 1
55 . 1 1 5 5 ARG CD C 13 43.381 0.100 . 1 . . . A 5 ARG CD . 11551 1
56 . 1 1 6 6 ILE H H 1 8.311 0.010 . 1 . . . A 6 ILE H . 11551 1
57 . 1 1 6 6 ILE HA H 1 3.618 0.010 . 1 . . . A 6 ILE HA . 11551 1
58 . 1 1 6 6 ILE HB H 1 1.955 0.010 . 1 . . . A 6 ILE HB . 11551 1
59 . 1 1 6 6 ILE HG12 H 1 1.773 0.010 . 2 . . . A 6 ILE HG12 . 11551 1
60 . 1 1 6 6 ILE HG13 H 1 1.035 0.010 . 2 . . . A 6 ILE HG13 . 11551 1
61 . 1 1 6 6 ILE HG21 H 1 0.845 0.010 . 1 . . . A 6 ILE HG21 . 11551 1
62 . 1 1 6 6 ILE HG22 H 1 0.845 0.010 . 1 . . . A 6 ILE HG22 . 11551 1
63 . 1 1 6 6 ILE HG23 H 1 0.845 0.010 . 1 . . . A 6 ILE HG23 . 11551 1
64 . 1 1 6 6 ILE HD11 H 1 0.766 0.010 . 1 . . . A 6 ILE HD11 . 11551 1
65 . 1 1 6 6 ILE HD12 H 1 0.766 0.010 . 1 . . . A 6 ILE HD12 . 11551 1
66 . 1 1 6 6 ILE HD13 H 1 0.766 0.010 . 1 . . . A 6 ILE HD13 . 11551 1
67 . 1 1 6 6 ILE CA C 13 65.264 0.100 . 1 . . . A 6 ILE CA . 11551 1
68 . 1 1 6 6 ILE CB C 13 37.681 0.100 . 1 . . . A 6 ILE CB . 11551 1
69 . 1 1 6 6 ILE CG1 C 13 29.277 0.100 . 1 . . . A 6 ILE CG1 . 11551 1
70 . 1 1 6 6 ILE CG2 C 13 17.799 0.100 . 1 . . . A 6 ILE CG2 . 11551 1
71 . 1 1 6 6 ILE CD1 C 13 13.402 0.100 . 1 . . . A 6 ILE CD1 . 11551 1
72 . 1 1 7 7 LYS H H 1 8.298 0.010 . 1 . . . A 7 LYS H . 11551 1
73 . 1 1 7 7 LYS HA H 1 3.787 0.010 . 1 . . . A 7 LYS HA . 11551 1
74 . 1 1 7 7 LYS HB2 H 1 1.857 0.010 . 2 . . . A 7 LYS HB2 . 11551 1
75 . 1 1 7 7 LYS HB3 H 1 1.921 0.010 . 2 . . . A 7 LYS HB3 . 11551 1
76 . 1 1 7 7 LYS HG2 H 1 1.548 0.010 . 2 . . . A 7 LYS HG2 . 11551 1
77 . 1 1 7 7 LYS HG3 H 1 1.347 0.010 . 2 . . . A 7 LYS HG3 . 11551 1
78 . 1 1 7 7 LYS HD2 H 1 1.623 0.010 . 2 . . . A 7 LYS HD2 . 11551 1
79 . 1 1 7 7 LYS HD3 H 1 1.623 0.010 . 2 . . . A 7 LYS HD3 . 11551 1
80 . 1 1 7 7 LYS HE2 H 1 2.840 0.010 . 2 . . . A 7 LYS HE2 . 11551 1
81 . 1 1 7 7 LYS HE3 H 1 2.840 0.010 . 2 . . . A 7 LYS HE3 . 11551 1
82 . 1 1 7 7 LYS CA C 13 60.481 0.100 . 1 . . . A 7 LYS CA . 11551 1
83 . 1 1 7 7 LYS CB C 13 32.250 0.100 . 1 . . . A 7 LYS CB . 11551 1
84 . 1 1 7 7 LYS CG C 13 25.868 0.100 . 1 . . . A 7 LYS CG . 11551 1
85 . 1 1 7 7 LYS CD C 13 29.385 0.100 . 1 . . . A 7 LYS CD . 11551 1
86 . 1 1 7 7 LYS CE C 13 41.882 0.100 . 1 . . . A 7 LYS CE . 11551 1
87 . 1 1 8 8 THR H H 1 7.911 0.010 . 1 . . . A 8 THR H . 11551 1
88 . 1 1 8 8 THR HA H 1 3.912 0.010 . 1 . . . A 8 THR HA . 11551 1
89 . 1 1 8 8 THR HB H 1 4.244 0.010 . 1 . . . A 8 THR HB . 11551 1
90 . 1 1 8 8 THR HG21 H 1 1.222 0.010 . . . . . A 8 THR HG21 . 11551 1
91 . 1 1 8 8 THR HG22 H 1 1.222 0.010 . . . . . A 8 THR HG22 . 11551 1
92 . 1 1 8 8 THR HG23 H 1 1.222 0.010 . . . . . A 8 THR HG23 . 11551 1
93 . 1 1 8 8 THR CA C 13 66.050 0.100 . 1 . . . A 8 THR CA . 11551 1
94 . 1 1 8 8 THR CB C 13 69.008 0.100 . 1 . . . A 8 THR CB . 11551 1
95 . 1 1 8 8 THR CG2 C 13 21.594 0.100 . 1 . . . A 8 THR CG2 . 11551 1
96 . 1 1 9 9 LEU H H 1 7.667 0.010 . 1 . . . A 9 LEU H . 11551 1
97 . 1 1 9 9 LEU HA H 1 4.070 0.010 . 1 . . . A 9 LEU HA . 11551 1
98 . 1 1 9 9 LEU HB2 H 1 1.587 0.010 . 2 . . . A 9 LEU HB2 . 11551 1
99 . 1 1 9 9 LEU HB3 H 1 1.844 0.010 . 2 . . . A 9 LEU HB3 . 11551 1
100 . 1 1 9 9 LEU HG H 1 1.775 0.010 . 1 . . . A 9 LEU HG . 11551 1
101 . 1 1 9 9 LEU HD11 H 1 0.857 0.010 . . . . . A 9 LEU HD11 . 11551 1
102 . 1 1 9 9 LEU HD12 H 1 0.857 0.010 . . . . . A 9 LEU HD12 . 11551 1
103 . 1 1 9 9 LEU HD13 H 1 0.857 0.010 . . . . . A 9 LEU HD13 . 11551 1
104 . 1 1 9 9 LEU HD21 H 1 0.857 0.010 . . . . . A 9 LEU HD21 . 11551 1
105 . 1 1 9 9 LEU HD22 H 1 0.857 0.010 . . . . . A 9 LEU HD22 . 11551 1
106 . 1 1 9 9 LEU HD23 H 1 0.857 0.010 . . . . . A 9 LEU HD23 . 11551 1
107 . 1 1 9 9 LEU CA C 13 57.402 0.100 . 1 . . . A 9 LEU CA . 11551 1
108 . 1 1 9 9 LEU CB C 13 42.595 0.100 . 1 . . . A 9 LEU CB . 11551 1
109 . 1 1 9 9 LEU CG C 13 27.026 0.100 . 1 . . . A 9 LEU CG . 11551 1
110 . 1 1 10 10 LEU H H 1 7.592 0.010 . 1 . . . A 10 LEU H . 11551 1
111 . 1 1 10 10 LEU HA H 1 4.086 0.010 . 1 . . . A 10 LEU HA . 11551 1
112 . 1 1 10 10 LEU HB2 H 1 1.709 0.010 . 2 . . . A 10 LEU HB2 . 11551 1
113 . 1 1 10 10 LEU HB3 H 1 1.538 0.010 . 2 . . . A 10 LEU HB3 . 11551 1
114 . 1 1 10 10 LEU HG H 1 1.791 0.010 . 1 . . . A 10 LEU HG . 11551 1
115 . 1 1 10 10 LEU HD11 H 1 0.801 0.010 . . . . . A 10 LEU HD11 . 11551 1
116 . 1 1 10 10 LEU HD12 H 1 0.801 0.010 . . . . . A 10 LEU HD12 . 11551 1
117 . 1 1 10 10 LEU HD13 H 1 0.801 0.010 . . . . . A 10 LEU HD13 . 11551 1
118 . 1 1 10 10 LEU HD21 H 1 0.801 0.010 . . . . . A 10 LEU HD21 . 11551 1
119 . 1 1 10 10 LEU HD22 H 1 0.801 0.010 . . . . . A 10 LEU HD22 . 11551 1
120 . 1 1 10 10 LEU HD23 H 1 0.801 0.010 . . . . . A 10 LEU HD23 . 11551 1
121 . 1 1 10 10 LEU CA C 13 55.502 0.100 . 1 . . . A 10 LEU CA . 11551 1
122 . 1 1 10 10 LEU CB C 13 42.705 0.100 . 1 . . . A 10 LEU CB . 11551 1
123 . 1 1 10 10 LEU CG C 13 27.014 0.100 . 1 . . . A 10 LEU CG . 11551 1
124 . 1 1 10 10 LEU CD1 C 13 23.131 0.100 . 2 . . . A 10 LEU CD1 . 11551 1
125 . 1 1 11 11 NH2 HN1 H 1 7.010 0.010 . . . . . A 11 NH2 HN1 . 11551 1
126 . 1 1 11 11 NH2 HN2 H 1 6.906 0.010 . . . . . A 11 NH2 HN2 . 11551 1
stop_
save_