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 11553
_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 11553 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11553 1
4 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 11553 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 3.836 0.01 . . . . . A 1 GLY HA2 . 11553 1
2 . 1 1 1 1 GLY HA3 H 1 3.755 0.01 . . . . . A 1 GLY HA3 . 11553 1
3 . 1 1 1 1 GLY CA C 13 43.69 0.1 . . . . . A 1 GLY CA . 11553 1
4 . 1 1 2 2 LEU HA H 1 3.909 0.01 . . . . . A 2 LEU HA . 11553 1
5 . 1 1 2 2 LEU HB2 H 1 1.614 0.01 . . . . . A 2 LEU HB2 . 11553 1
6 . 1 1 2 2 LEU HB3 H 1 1.51 0.01 . . . . . A 2 LEU HB3 . 11553 1
7 . 1 1 2 2 LEU HD11 H 1 0.857 0.01 . . . . . A 2 LEU HD11 . 11553 1
8 . 1 1 2 2 LEU HD12 H 1 0.857 0.01 . . . . . A 2 LEU HD12 . 11553 1
9 . 1 1 2 2 LEU HD13 H 1 0.857 0.01 . . . . . A 2 LEU HD13 . 11553 1
10 . 1 1 2 2 LEU HD21 H 1 0.792 0.01 . . . . . A 2 LEU HD21 . 11553 1
11 . 1 1 2 2 LEU HD22 H 1 0.792 0.01 . . . . . A 2 LEU HD22 . 11553 1
12 . 1 1 2 2 LEU HD23 H 1 0.792 0.01 . . . . . A 2 LEU HD23 . 11553 1
13 . 1 1 2 2 LEU CB C 13 42.529 0.1 . . . . . A 2 LEU CB . 11553 1
14 . 1 1 2 2 LEU CD1 C 13 24.381 0.1 . . . . . A 2 LEU CD1 . 11553 1
15 . 1 1 2 2 LEU CD2 C 13 24.621 0.1 . . . . . A 2 LEU CD2 . 11553 1
16 . 1 1 3 3 LEU H H 1 8.816 0.01 . . . . . A 3 LEU H . 11553 1
17 . 1 1 3 3 LEU HA H 1 3.872 0.01 . . . . . A 3 LEU HA . 11553 1
18 . 1 1 3 3 LEU HB2 H 1 1.622 0.01 . . . . . A 3 LEU HB2 . 11553 1
19 . 1 1 3 3 LEU HB3 H 1 1.525 0.01 . . . . . A 3 LEU HB3 . 11553 1
20 . 1 1 3 3 LEU HD11 H 1 0.832 0.01 . . . . . A 3 LEU HD11 . 11553 1
21 . 1 1 3 3 LEU HD12 H 1 0.832 0.01 . . . . . A 3 LEU HD12 . 11553 1
22 . 1 1 3 3 LEU HD13 H 1 0.832 0.01 . . . . . A 3 LEU HD13 . 11553 1
23 . 1 1 3 3 LEU HD21 H 1 0.779 0.01 . . . . . A 3 LEU HD21 . 11553 1
24 . 1 1 3 3 LEU HD22 H 1 0.779 0.01 . . . . . A 3 LEU HD22 . 11553 1
25 . 1 1 3 3 LEU HD23 H 1 0.779 0.01 . . . . . A 3 LEU HD23 . 11553 1
26 . 1 1 3 3 LEU CA C 13 58.553 0.1 . . . . . A 3 LEU CA . 11553 1
27 . 1 1 3 3 LEU CB C 13 40.641 0.1 . . . . . A 3 LEU CB . 11553 1
28 . 1 1 3 3 LEU CD1 C 13 24.496 0.1 . . . . . A 3 LEU CD1 . 11553 1
29 . 1 1 3 3 LEU CD2 C 13 24.394 0.1 . . . . . A 3 LEU CD2 . 11553 1
30 . 1 1 4 4 LYS H H 1 7.866 0.01 . . . . . A 4 LYS H . 11553 1
31 . 1 1 4 4 LYS HA H 1 3.794 0.01 . . . . . A 4 LYS HA . 11553 1
32 . 1 1 4 4 LYS HB2 H 1 1.735 0.01 . . . . . A 4 LYS HB2 . 11553 1
33 . 1 1 4 4 LYS HB3 H 1 1.735 0.01 . . . . . A 4 LYS HB3 . 11553 1
34 . 1 1 4 4 LYS HG2 H 1 1.395 0.01 . . . . . A 4 LYS HG2 . 11553 1
35 . 1 1 4 4 LYS HG3 H 1 1.294 0.01 . . . . . A 4 LYS HG3 . 11553 1
36 . 1 1 4 4 LYS HD2 H 1 1.559 0.01 . . . . . A 4 LYS HD2 . 11553 1
37 . 1 1 4 4 LYS HD3 H 1 1.559 0.01 . . . . . A 4 LYS HD3 . 11553 1
38 . 1 1 4 4 LYS HE2 H 1 2.844 0.01 . . . . . A 4 LYS HE2 . 11553 1
39 . 1 1 4 4 LYS HE3 H 1 2.844 0.01 . . . . . A 4 LYS HE3 . 11553 1
40 . 1 1 4 4 LYS CA C 13 59.587 0.1 . . . . . A 4 LYS CA . 11553 1
41 . 1 1 4 4 LYS CB C 13 32.386 0.1 . . . . . A 4 LYS CB . 11553 1
42 . 1 1 4 4 LYS CG C 13 25.416 0.1 . . . . . A 4 LYS CG . 11553 1
43 . 1 1 4 4 LYS CD C 13 29.39 0.1 . . . . . A 4 LYS CD . 11553 1
44 . 1 1 4 4 LYS CE C 13 41.954 0.1 . . . . . A 4 LYS CE . 11553 1
45 . 1 1 5 5 LYS H H 1 7.555 0.01 . . . . . A 5 LYS H . 11553 1
46 . 1 1 5 5 LYS HA H 1 4.096 0.01 . . . . . A 5 LYS HA . 11553 1
47 . 1 1 5 5 LYS HB2 H 1 1.974 0.01 . . . . . A 5 LYS HB2 . 11553 1
48 . 1 1 5 5 LYS HB3 H 1 1.78 0.01 . . . . . A 5 LYS HB3 . 11553 1
49 . 1 1 5 5 LYS HG2 H 1 1.375 0.01 . . . . . A 5 LYS HG2 . 11553 1
50 . 1 1 5 5 LYS HG3 H 1 1.375 0.01 . . . . . A 5 LYS HG3 . 11553 1
51 . 1 1 5 5 LYS HD2 H 1 1.442 0.01 . . . . . A 5 LYS HD2 . 11553 1
52 . 1 1 5 5 LYS HD3 H 1 1.532 0.01 . . . . . A 5 LYS HD3 . 11553 1
53 . 1 1 5 5 LYS HE2 H 1 2.742 0.01 . . . . . A 5 LYS HE2 . 11553 1
54 . 1 1 5 5 LYS HE3 H 1 2.742 0.01 . . . . . A 5 LYS HE3 . 11553 1
55 . 1 1 5 5 LYS CA C 13 59.215 0.1 . . . . . A 5 LYS CA . 11553 1
56 . 1 1 5 5 LYS CB C 13 32.547 0.1 . . . . . A 5 LYS CB . 11553 1
57 . 1 1 5 5 LYS CG C 13 25.401 0.1 . . . . . A 5 LYS CG . 11553 1
58 . 1 1 5 5 LYS CD C 13 29.142 0.1 . . . . . A 5 LYS CD . 11553 1
59 . 1 1 5 5 LYS CE C 13 42.015 0.1 . . . . . A 5 LYS CE . 11553 1
60 . 1 1 6 6 ILE H H 1 8.129 0.01 . . . . . A 6 ILE H . 11553 1
61 . 1 1 6 6 ILE HA H 1 3.646 0.01 . . . . . A 6 ILE HA . 11553 1
62 . 1 1 6 6 ILE HB H 1 1.905 0.01 . . . . . A 6 ILE HB . 11553 1
63 . 1 1 6 6 ILE HG12 H 1 1.001 0.01 . . . . . A 6 ILE HG12 . 11553 1
64 . 1 1 6 6 ILE HG13 H 1 1.001 0.01 . . . . . A 6 ILE HG13 . 11553 1
65 . 1 1 6 6 ILE HG21 H 1 0.786 0.01 . . . . . A 6 ILE HG21 . 11553 1
66 . 1 1 6 6 ILE HG22 H 1 0.786 0.01 . . . . . A 6 ILE HG22 . 11553 1
67 . 1 1 6 6 ILE HG23 H 1 0.786 0.01 . . . . . A 6 ILE HG23 . 11553 1
68 . 1 1 6 6 ILE HD11 H 1 0.699 0.01 . . . . . A 6 ILE HD11 . 11553 1
69 . 1 1 6 6 ILE HD12 H 1 0.699 0.01 . . . . . A 6 ILE HD12 . 11553 1
70 . 1 1 6 6 ILE HD13 H 1 0.699 0.01 . . . . . A 6 ILE HD13 . 11553 1
71 . 1 1 6 6 ILE CA C 13 64.961 0.1 . . . . . A 6 ILE CA . 11553 1
72 . 1 1 6 6 ILE CB C 13 37.65 0.1 . . . . . A 6 ILE CB . 11553 1
73 . 1 1 6 6 ILE CG1 C 13 29.208 0.1 . . . . . A 6 ILE CG1 . 11553 1
74 . 1 1 6 6 ILE CG2 C 13 17.675 0.1 . . . . . A 6 ILE CG2 . 11553 1
75 . 1 1 6 6 ILE CD1 C 13 13.347 0.1 . . . . . A 6 ILE CD1 . 11553 1
76 . 1 1 7 7 LYS H H 1 8.178 0.01 . . . . . A 7 LYS H . 11553 1
77 . 1 1 7 7 LYS HA H 1 3.707 0.01 . . . . . A 7 LYS HA . 11553 1
78 . 1 1 7 7 LYS HB2 H 1 1.807 0.01 . . . . . A 7 LYS HB2 . 11553 1
79 . 1 1 7 7 LYS HB3 H 1 1.769 0.01 . . . . . A 7 LYS HB3 . 11553 1
80 . 1 1 7 7 LYS HG2 H 1 1.492 0.01 . . . . . A 7 LYS HG2 . 11553 1
81 . 1 1 7 7 LYS HG3 H 1 1.256 0.01 . . . . . A 7 LYS HG3 . 11553 1
82 . 1 1 7 7 LYS HD2 H 1 1.554 0.01 . . . . . A 7 LYS HD2 . 11553 1
83 . 1 1 7 7 LYS HD3 H 1 1.554 0.01 . . . . . A 7 LYS HD3 . 11553 1
84 . 1 1 7 7 LYS HE2 H 1 2.755 0.01 . . . . . A 7 LYS HE2 . 11553 1
85 . 1 1 7 7 LYS CA C 13 60.207 0.1 . . . . . A 7 LYS CA . 11553 1
86 . 1 1 7 7 LYS CB C 13 32.258 0.1 . . . . . A 7 LYS CB . 11553 1
87 . 1 1 7 7 LYS CG C 13 25.637 0.1 . . . . . A 7 LYS CG . 11553 1
88 . 1 1 7 7 LYS CD C 13 29.391 0.1 . . . . . A 7 LYS CD . 11553 1
89 . 1 1 7 7 LYS CE C 13 41.861 0.1 . . . . . A 7 LYS CE . 11553 1
90 . 1 1 8 8 TRP H H 1 7.767 0.01 . . . . . A 8 TRP H . 11553 1
91 . 1 1 8 8 TRP HA H 1 4.091 0.01 . . . . . A 8 TRP HA . 11553 1
92 . 1 1 8 8 TRP HB2 H 1 3.468 0.01 . . . . . A 8 TRP HB2 . 11553 1
93 . 1 1 8 8 TRP HB3 H 1 3.263 0.01 . . . . . A 8 TRP HB3 . 11553 1
94 . 1 1 8 8 TRP HD1 H 1 7.184 0.01 . . . . . A 8 TRP HD1 . 11553 1
95 . 1 1 8 8 TRP HE1 H 1 10.258 0.01 . . . . . A 8 TRP HE1 . 11553 1
96 . 1 1 8 8 TRP HE3 H 1 7.479 0.01 . . . . . A 8 TRP HE3 . 11553 1
97 . 1 1 8 8 TRP HZ2 H 1 7.406 0.01 . . . . . A 8 TRP HZ2 . 11553 1
98 . 1 1 8 8 TRP HZ3 H 1 6.888 0.01 . . . . . A 8 TRP HZ3 . 11553 1
99 . 1 1 8 8 TRP HH2 H 1 7.089 0.01 . . . . . A 8 TRP HH2 . 11553 1
100 . 1 1 8 8 TRP CA C 13 60.703 0.1 . . . . . A 8 TRP CA . 11553 1
101 . 1 1 8 8 TRP CD1 C 13 127.39 0.1 . . . . . A 8 TRP CD1 . 11553 1
102 . 1 1 8 8 TRP CE3 C 13 120.547 0.1 . . . . . A 8 TRP CE3 . 11553 1
103 . 1 1 8 8 TRP CZ2 C 13 114.768 0.1 . . . . . A 8 TRP CZ2 . 11553 1
104 . 1 1 8 8 TRP CZ3 C 13 121.518 0.1 . . . . . A 8 TRP CZ3 . 11553 1
105 . 1 1 8 8 TRP CH2 C 13 124.291 0.1 . . . . . A 8 TRP CH2 . 11553 1
106 . 1 1 9 9 LEU H H 1 7.837 0.01 . . . . . A 9 LEU H . 11553 1
107 . 1 1 9 9 LEU HA H 1 3.381 0.01 . . . . . A 9 LEU HA . 11553 1
108 . 1 1 9 9 LEU HB2 H 1 1.785 0.01 . . . . . A 9 LEU HB2 . 11553 1
109 . 1 1 9 9 LEU HB3 H 1 1.524 0.01 . . . . . A 9 LEU HB3 . 11553 1
110 . 1 1 9 9 LEU HG H 1 1.741 0.01 . . . . . A 9 LEU HG . 11553 1
111 . 1 1 9 9 LEU HD11 H 1 0.798 0.01 . . . . . A 9 LEU HD11 . 11553 1
112 . 1 1 9 9 LEU HD12 H 1 0.798 0.01 . . . . . A 9 LEU HD12 . 11553 1
113 . 1 1 9 9 LEU HD13 H 1 0.798 0.01 . . . . . A 9 LEU HD13 . 11553 1
114 . 1 1 9 9 LEU CA C 13 57.437 0.1 . . . . . A 9 LEU CA . 11553 1
115 . 1 1 9 9 LEU CB C 13 42.675 0.1 . . . . . A 9 LEU CB . 11553 1
116 . 1 1 9 9 LEU CG C 13 26.718 0.1 . . . . . A 9 LEU CG . 11553 1
117 . 1 1 9 9 LEU CD1 C 13 25.083 0.1 . . . . . A 9 LEU CD1 . 11553 1
118 . 1 1 10 10 LEU H H 1 7.473 0.01 . . . . . A 10 LEU H . 11553 1
119 . 1 1 10 10 LEU HA H 1 3.909 0.01 . . . . . A 10 LEU HA . 11553 1
120 . 1 1 10 10 LEU HB2 H 1 1.603 0.01 . . . . . A 10 LEU HB2 . 11553 1
121 . 1 1 10 10 LEU HB3 H 1 1.427 0.01 . . . . . A 10 LEU HB3 . 11553 1
122 . 1 1 10 10 LEU HG H 1 1.703 0.01 . . . . . A 10 LEU HG . 11553 1
123 . 1 1 10 10 LEU HD11 H 1 0.717 0.01 . . . . . A 10 LEU HD11 . 11553 1
124 . 1 1 10 10 LEU HD12 H 1 0.717 0.01 . . . . . A 10 LEU HD12 . 11553 1
125 . 1 1 10 10 LEU HD13 H 1 0.717 0.01 . . . . . A 10 LEU HD13 . 11553 1
126 . 1 1 10 10 LEU HD21 H 1 0.679 0.01 . . . . . A 10 LEU HD21 . 11553 1
127 . 1 1 10 10 LEU HD22 H 1 0.679 0.01 . . . . . A 10 LEU HD22 . 11553 1
128 . 1 1 10 10 LEU HD23 H 1 0.679 0.01 . . . . . A 10 LEU HD23 . 11553 1
129 . 1 1 10 10 LEU CB C 13 42.51 0.1 . . . . . A 10 LEU CB . 11553 1
130 . 1 1 10 10 LEU CG C 13 26.801 0.1 . . . . . A 10 LEU CG . 11553 1
131 . 1 1 10 10 LEU CD1 C 13 25.988 0.1 . . . . . A 10 LEU CD1 . 11553 1
132 . 1 1 10 10 LEU CD2 C 13 23.003 0.1 . . . . . A 10 LEU CD2 . 11553 1
133 . 1 1 11 11 NH2 HN1 H 1 6.801 0.01 . . . . . A 11 NH2 HN1 . 11553 1
134 . 1 1 11 11 NH2 HN2 H 1 6.757 0.01 . . . . . A 11 NH2 HN2 . 11553 1
stop_
save_