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 19597
_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 .
_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' 1 $sample_1 isotropic 19597 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 19597 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 2 2 LEU H H 1 8.083 0.001 . . . . . . 2 LEU H . 19597 1
2 . 1 1 2 2 LEU HA H 1 4.227 0.000 . . . . . . 2 LEU HA . 19597 1
3 . 1 1 2 2 LEU HB2 H 1 1.878 0.001 . . . . . . 2 LEU HB2 . 19597 1
4 . 1 1 2 2 LEU HB3 H 1 1.782 0.002 . . . . . . 2 LEU HB3 . 19597 1
5 . 1 1 2 2 LEU HD11 H 1 0.927 0.000 . . . . . . 2 LEU QD1 . 19597 1
6 . 1 1 2 2 LEU HD12 H 1 0.927 0.000 . . . . . . 2 LEU QD1 . 19597 1
7 . 1 1 2 2 LEU HD13 H 1 0.927 0.000 . . . . . . 2 LEU QD1 . 19597 1
8 . 1 1 2 2 LEU HD21 H 1 0.855 0.000 . . . . . . 2 LEU QD2 . 19597 1
9 . 1 1 2 2 LEU HD22 H 1 0.855 0.000 . . . . . . 2 LEU QD2 . 19597 1
10 . 1 1 2 2 LEU HD23 H 1 0.855 0.000 . . . . . . 2 LEU QD2 . 19597 1
11 . 1 1 2 2 LEU HG H 1 1.535 0.002 . . . . . . 2 LEU HG . 19597 1
12 . 1 1 3 3 TRP H H 1 7.658 0.004 . . . . . . 3 TRP H . 19597 1
13 . 1 1 3 3 TRP HA H 1 4.49 0.004 . . . . . . 3 TRP HA . 19597 1
14 . 1 1 3 3 TRP HB2 H 1 3.383 0.002 . . . . . . 3 TRP HB2 . 19597 1
15 . 1 1 3 3 TRP HB3 H 1 3.224 0.006 . . . . . . 3 TRP HB3 . 19597 1
16 . 1 1 3 3 TRP HD1 H 1 7.373 0.000 . . . . . . 3 TRP HD1 . 19597 1
17 . 1 1 3 3 TRP HE1 H 1 9.97 0.001 . . . . . . 3 TRP HE1 . 19597 1
18 . 1 1 3 3 TRP HE3 H 1 7.29 0.004 . . . . . . 3 TRP HE3 . 19597 1
19 . 1 1 3 3 TRP HH2 H 1 7.118 0.000 . . . . . . 3 TRP HH2 . 19597 1
20 . 1 1 3 3 TRP HZ2 H 1 7.164 0.003 . . . . . . 3 TRP HZ2 . 19597 1
21 . 1 1 3 3 TRP HZ3 H 1 6.994 0.001 . . . . . . 3 TRP HZ3 . 19597 1
22 . 1 1 4 4 GLY H H 1 8.025 0.001 . . . . . . 4 GLY H . 19597 1
23 . 1 1 4 4 GLY HA2 H 1 3.977 0.000 . . . . . . 4 GLY HA2 . 19597 1
24 . 1 1 4 4 GLY HA3 H 1 3.854 0.007 . . . . . . 4 GLY HA3 . 19597 1
25 . 1 1 5 5 LEU H H 1 8.047 0.001 . . . . . . 5 LEU H . 19597 1
26 . 1 1 5 5 LEU HA H 1 4.238 0.000 . . . . . . 5 LEU HA . 19597 1
27 . 1 1 5 5 LEU HB2 H 1 1.869 0.006 . . . . . . 5 LEU HB2 . 19597 1
28 . 1 1 5 5 LEU HB3 H 1 1.774 0.002 . . . . . . 5 LEU HB3 . 19597 1
29 . 1 1 5 5 LEU HD11 H 1 0.854 0.000 . . . . . . 5 LEU QD1 . 19597 1
30 . 1 1 5 5 LEU HD12 H 1 0.854 0.000 . . . . . . 5 LEU QD1 . 19597 1
31 . 1 1 5 5 LEU HD13 H 1 0.854 0.000 . . . . . . 5 LEU QD1 . 19597 1
32 . 1 1 5 5 LEU HD21 H 1 0.931 0.000 . . . . . . 5 LEU QD2 . 19597 1
33 . 1 1 5 5 LEU HD22 H 1 0.931 0.000 . . . . . . 5 LEU QD2 . 19597 1
34 . 1 1 5 5 LEU HD23 H 1 0.931 0.000 . . . . . . 5 LEU QD2 . 19597 1
35 . 1 1 5 5 LEU HG H 1 1.545 0.016 . . . . . . 5 LEU HG . 19597 1
36 . 1 1 6 6 ILE H H 1 8.101 0.001 . . . . . . 6 ILE H . 19597 1
37 . 1 1 6 6 ILE HA H 1 3.975 0.000 . . . . . . 6 ILE HA . 19597 1
38 . 1 1 6 6 ILE HB H 1 2.087 0.001 . . . . . . 6 ILE HB . 19597 1
39 . 1 1 6 6 ILE HD11 H 1 0.861 0.001 . . . . . . 6 ILE HD1 . 19597 1
40 . 1 1 6 6 ILE HD12 H 1 0.861 0.001 . . . . . . 6 ILE HD1 . 19597 1
41 . 1 1 6 6 ILE HD13 H 1 0.861 0.001 . . . . . . 6 ILE HD1 . 19597 1
42 . 1 1 6 6 ILE HG12 H 1 1.298 0.000 . . . . . . 6 ILE HG12 . 19597 1
43 . 1 1 6 6 ILE HG13 H 1 1.19 0.003 . . . . . . 6 ILE HG13 . 19597 1
44 . 1 1 6 6 ILE HG21 H 1 0.94 0.000 . . . . . . 6 ILE HG2 . 19597 1
45 . 1 1 6 6 ILE HG22 H 1 0.94 0.000 . . . . . . 6 ILE HG2 . 19597 1
46 . 1 1 6 6 ILE HG23 H 1 0.94 0.000 . . . . . . 6 ILE HG2 . 19597 1
47 . 1 1 7 7 PRO HD2 H 1 3.52 0.003 . . . . . . 7 PRO HD2 . 19597 1
48 . 1 1 7 7 PRO HD3 H 1 3.306 0.003 . . . . . . 7 PRO HD3 . 19597 1
49 . 1 1 8 8 GLY H H 1 7.674 0.001 . . . . . . 8 GLY H . 19597 1
50 . 1 1 8 8 GLY HA2 H 1 4.51 0.003 . . . . . . 8 GLY HA2 . 19597 1
51 . 1 1 9 9 ALA H H 1 7.999 0.002 . . . . . . 9 ALA H . 19597 1
52 . 1 1 9 9 ALA HA H 1 3.875 0.006 . . . . . . 9 ALA HA . 19597 1
53 . 1 1 9 9 ALA HB1 H 1 1.401 0.008 . . . . . . 9 ALA HB . 19597 1
54 . 1 1 9 9 ALA HB2 H 1 1.401 0.008 . . . . . . 9 ALA HB . 19597 1
55 . 1 1 9 9 ALA HB3 H 1 1.401 0.008 . . . . . . 9 ALA HB . 19597 1
56 . 1 1 10 10 ILE H H 1 8.252 0.001 . . . . . . 10 ILE H . 19597 1
57 . 1 1 10 10 ILE HA H 1 3.643 0.001 . . . . . . 10 ILE HA . 19597 1
58 . 1 1 10 10 ILE HB H 1 1.94 0.001 . . . . . . 10 ILE HB . 19597 1
59 . 1 1 10 10 ILE HD11 H 1 0.819 0.000 . . . . . . 10 ILE HD1 . 19597 1
60 . 1 1 10 10 ILE HD12 H 1 0.819 0.000 . . . . . . 10 ILE HD1 . 19597 1
61 . 1 1 10 10 ILE HD13 H 1 0.819 0.000 . . . . . . 10 ILE HD1 . 19597 1
62 . 1 1 10 10 ILE HG12 H 1 1.491 0.007 . . . . . . 10 ILE HG12 . 19597 1
63 . 1 1 10 10 ILE HG21 H 1 0.887 0.003 . . . . . . 10 ILE HG2 . 19597 1
64 . 1 1 10 10 ILE HG22 H 1 0.887 0.003 . . . . . . 10 ILE HG2 . 19597 1
65 . 1 1 10 10 ILE HG23 H 1 0.887 0.003 . . . . . . 10 ILE HG2 . 19597 1
66 . 1 1 11 11 SER H H 1 8.134 0.003 . . . . . . 11 SER H . 19597 1
67 . 1 1 11 11 SER HA H 1 4.166 0.009 . . . . . . 11 SER HA . 19597 1
68 . 1 1 11 11 SER HB2 H 1 3.955 0.003 . . . . . . 11 SER HB2 . 19597 1
69 . 1 1 12 12 ALA H H 1 7.972 0.002 . . . . . . 12 ALA H . 19597 1
70 . 1 1 12 12 ALA HA H 1 4.176 0.000 . . . . . . 12 ALA HA . 19597 1
71 . 1 1 12 12 ALA HB1 H 1 1.519 0.000 . . . . . . 12 ALA HB . 19597 1
72 . 1 1 12 12 ALA HB2 H 1 1.519 0.000 . . . . . . 12 ALA HB . 19597 1
73 . 1 1 12 12 ALA HB3 H 1 1.519 0.000 . . . . . . 12 ALA HB . 19597 1
74 . 1 1 13 13 VAL H H 1 8.263 0.001 . . . . . . 13 VAL H . 19597 1
75 . 1 1 13 13 VAL HA H 1 3.723 0.002 . . . . . . 13 VAL HA . 19597 1
76 . 1 1 13 13 VAL HB H 1 2.188 0.001 . . . . . . 13 VAL HB . 19597 1
77 . 1 1 13 13 VAL HG11 H 1 0.95 0.001 . . . . . . 13 VAL HG1 . 19597 1
78 . 1 1 13 13 VAL HG12 H 1 0.95 0.001 . . . . . . 13 VAL HG1 . 19597 1
79 . 1 1 13 13 VAL HG13 H 1 0.95 0.001 . . . . . . 13 VAL HG1 . 19597 1
80 . 1 1 13 13 VAL HG21 H 1 1.073 0.008 . . . . . . 13 VAL HG2 . 19597 1
81 . 1 1 13 13 VAL HG22 H 1 1.073 0.008 . . . . . . 13 VAL HG2 . 19597 1
82 . 1 1 13 13 VAL HG23 H 1 1.073 0.008 . . . . . . 13 VAL HG2 . 19597 1
83 . 1 1 14 14 THR H H 1 8.299 0.004 . . . . . . 14 THR H . 19597 1
84 . 1 1 14 14 THR HA H 1 4.295 0.002 . . . . . . 14 THR HA . 19597 1
85 . 1 1 14 14 THR HB H 1 3.886 0.002 . . . . . . 14 THR HB . 19597 1
86 . 1 1 14 14 THR HG1 H 1 4.694 0.008 . . . . . . 14 THR HG1 . 19597 1
87 . 1 1 14 14 THR HG21 H 1 1.278 0.004 . . . . . . 14 THR HG2 . 19597 1
88 . 1 1 14 14 THR HG22 H 1 1.278 0.004 . . . . . . 14 THR HG2 . 19597 1
89 . 1 1 14 14 THR HG23 H 1 1.278 0.004 . . . . . . 14 THR HG2 . 19597 1
90 . 1 1 15 15 SER H H 1 7.715 0.002 . . . . . . 15 SER H . 19597 1
91 . 1 1 15 15 SER HA H 1 4.269 0.003 . . . . . . 15 SER HA . 19597 1
92 . 1 1 15 15 SER HB2 H 1 3.978 0.000 . . . . . . 15 SER HB2 . 19597 1
93 . 1 1 15 15 SER HB3 H 1 3.947 0.002 . . . . . . 15 SER HB3 . 19597 1
94 . 1 1 16 16 LEU H H 1 7.599 0.001 . . . . . . 16 LEU H . 19597 1
95 . 1 1 16 16 LEU HA H 1 4.206 0.000 . . . . . . 16 LEU HA . 19597 1
96 . 1 1 16 16 LEU HB2 H 1 1.887 0.004 . . . . . . 16 LEU HB2 . 19597 1
97 . 1 1 16 16 LEU HB3 H 1 1.789 0.001 . . . . . . 16 LEU HB3 . 19597 1
98 . 1 1 16 16 LEU HD11 H 1 0.921 0.000 . . . . . . 16 LEU HD1 . 19597 1
99 . 1 1 16 16 LEU HD12 H 1 0.921 0.000 . . . . . . 16 LEU HD1 . 19597 1
100 . 1 1 16 16 LEU HD13 H 1 0.921 0.000 . . . . . . 16 LEU HD1 . 19597 1
101 . 1 1 16 16 LEU HD21 H 1 0.954 0.000 . . . . . . 16 LEU HD2 . 19597 1
102 . 1 1 16 16 LEU HD22 H 1 0.954 0.000 . . . . . . 16 LEU HD2 . 19597 1
103 . 1 1 16 16 LEU HD23 H 1 0.954 0.000 . . . . . . 16 LEU HD2 . 19597 1
104 . 1 1 16 16 LEU HG H 1 1.633 0.004 . . . . . . 16 LEU HG . 19597 1
105 . 1 1 17 17 ILE H H 1 7.516 0.002 . . . . . . 17 ILE H . 19597 1
106 . 1 1 17 17 ILE HA H 1 4.031 0.001 . . . . . . 17 ILE HA . 19597 1
107 . 1 1 17 17 ILE HB H 1 1.952 0.004 . . . . . . 17 ILE HB . 19597 1
108 . 1 1 17 17 ILE HD11 H 1 0.817 0.001 . . . . . . 17 ILE HD1 . 19597 1
109 . 1 1 17 17 ILE HD12 H 1 0.817 0.001 . . . . . . 17 ILE HD1 . 19597 1
110 . 1 1 17 17 ILE HD13 H 1 0.817 0.001 . . . . . . 17 ILE HD1 . 19597 1
111 . 1 1 17 17 ILE HG12 H 1 1.252 0.003 . . . . . . 17 ILE HG12 . 19597 1
112 . 1 1 17 17 ILE HG13 H 1 1.199 0.000 . . . . . . 17 ILE HG13 . 19597 1
113 . 1 1 17 17 ILE HG21 H 1 0.916 0.002 . . . . . . 17 ILE HG2 . 19597 1
114 . 1 1 17 17 ILE HG22 H 1 0.916 0.002 . . . . . . 17 ILE HG2 . 19597 1
115 . 1 1 17 17 ILE HG23 H 1 0.916 0.002 . . . . . . 17 ILE HG2 . 19597 1
116 . 1 1 18 18 LYS H H 1 7.92 0.012 . . . . . . 18 LYS H . 19597 1
117 . 1 1 18 18 LYS HA H 1 4.27 0.002 . . . . . . 18 LYS HA . 19597 1
118 . 1 1 18 18 LYS HB2 H 1 1.945 0.002 . . . . . . 18 LYS HB2 . 19597 1
119 . 1 1 18 18 LYS HB3 H 1 1.853 0.000 . . . . . . 18 LYS HB3 . 19597 1
120 . 1 1 18 18 LYS HD2 H 1 1.642 0.000 . . . . . . 18 LYS HD2 . 19597 1
121 . 1 1 18 18 LYS HE2 H 1 2.771 0.000 . . . . . . 18 LYS HE2 . 19597 1
122 . 1 1 18 18 LYS HE3 H 1 2.963 0.004 . . . . . . 18 LYS HE3 . 19597 1
123 . 1 1 18 18 LYS HG2 H 1 1.512 0.004 . . . . . . 18 LYS HG2 . 19597 1
124 . 1 1 18 18 LYS HG3 H 1 1.418 0.004 . . . . . . 18 LYS HG3 . 19597 1
125 . 1 1 19 19 LYS H H 1 7.78 0.002 . . . . . . 19 LYS H . 19597 1
126 . 1 1 19 19 LYS HA H 1 4.251 0.000 . . . . . . 19 LYS HA . 19597 1
127 . 1 1 19 19 LYS HB2 H 1 1.879 0.000 . . . . . . 19 LYS HB2 . 19597 1
128 . 1 1 19 19 LYS HB3 H 1 1.802 0.001 . . . . . . 19 LYS HB3 . 19597 1
129 . 1 1 19 19 LYS HD2 H 1 1.658 0.000 . . . . . . 19 LYS HD2 . 19597 1
130 . 1 1 19 19 LYS HD3 H 1 1.581 0.003 . . . . . . 19 LYS HD3 . 19597 1
131 . 1 1 19 19 LYS HE3 H 1 3.011 0.000 . . . . . . 19 LYS HE3 . 19597 1
132 . 1 1 19 19 LYS HG3 H 1 1.435 0.000 . . . . . . 19 LYS HG3 . 19597 1
stop_
save_