Content for NMR-STAR saveframe, "assigned_chem_shift_list_4"
save_assigned_chem_shift_list_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_4
_Assigned_chem_shift_list.Entry_ID 12003
_Assigned_chem_shift_list.ID 4
_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 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.03
_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
4 '2D 1H-13C HMQC' 4 $sample_4 isotropic 12003 4
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 . 4 4 4 4 LEU HD11 H 1 0.890 0.005 . 1 . . . . 192 LEU MD1 . 12003 4
2 . 4 4 4 4 LEU HD12 H 1 0.890 0.005 . 1 . . . . 192 LEU MD1 . 12003 4
3 . 4 4 4 4 LEU HD13 H 1 0.890 0.005 . 1 . . . . 192 LEU MD1 . 12003 4
4 . 4 4 4 4 LEU HD21 H 1 0.891 0.005 . 1 . . . . 192 LEU MD2 . 12003 4
5 . 4 4 4 4 LEU HD22 H 1 0.891 0.005 . 1 . . . . 192 LEU MD2 . 12003 4
6 . 4 4 4 4 LEU HD23 H 1 0.891 0.005 . 1 . . . . 192 LEU MD2 . 12003 4
7 . 4 4 4 4 LEU CD1 C 13 23.94 0.03 . 1 . . . . 192 LEU CD1 . 12003 4
8 . 4 4 4 4 LEU CD2 C 13 24.62 0.03 . 1 . . . . 192 LEU CD2 . 12003 4
9 . 4 4 7 7 ILE HD11 H 1 0.890 0.005 . 1 . . . . 195 ILE MD . 12003 4
10 . 4 4 7 7 ILE HD12 H 1 0.890 0.005 . 1 . . . . 195 ILE MD . 12003 4
11 . 4 4 7 7 ILE HD13 H 1 0.890 0.005 . 1 . . . . 195 ILE MD . 12003 4
12 . 4 4 7 7 ILE CD1 C 13 13.15 0.03 . 1 . . . . 195 ILE CD1 . 12003 4
13 . 4 4 14 14 ILE HD11 H 1 0.866 0.005 . 1 . . . . 202 ILE MD . 12003 4
14 . 4 4 14 14 ILE HD12 H 1 0.866 0.005 . 1 . . . . 202 ILE MD . 12003 4
15 . 4 4 14 14 ILE HD13 H 1 0.866 0.005 . 1 . . . . 202 ILE MD . 12003 4
16 . 4 4 14 14 ILE CD1 C 13 13.21 0.03 . 1 . . . . 202 ILE CD1 . 12003 4
17 . 4 4 15 15 ILE HD11 H 1 0.624 0.005 . 1 . . . . 203 ILE MD . 12003 4
18 . 4 4 15 15 ILE HD12 H 1 0.624 0.005 . 1 . . . . 203 ILE MD . 12003 4
19 . 4 4 15 15 ILE HD13 H 1 0.624 0.005 . 1 . . . . 203 ILE MD . 12003 4
20 . 4 4 15 15 ILE CD1 C 13 9.28 0.03 . 1 . . . . 203 ILE CD1 . 12003 4
21 . 4 4 17 17 LEU HD11 H 1 0.801 0.005 . 1 . . . . 205 LEU MD1 . 12003 4
22 . 4 4 17 17 LEU HD12 H 1 0.801 0.005 . 1 . . . . 205 LEU MD1 . 12003 4
23 . 4 4 17 17 LEU HD13 H 1 0.801 0.005 . 1 . . . . 205 LEU MD1 . 12003 4
24 . 4 4 17 17 LEU HD21 H 1 0.799 0.005 . 1 . . . . 205 LEU MD2 . 12003 4
25 . 4 4 17 17 LEU HD22 H 1 0.799 0.005 . 1 . . . . 205 LEU MD2 . 12003 4
26 . 4 4 17 17 LEU HD23 H 1 0.799 0.005 . 1 . . . . 205 LEU MD2 . 12003 4
27 . 4 4 17 17 LEU CD1 C 13 23.26 0.03 . 1 . . . . 205 LEU CD1 . 12003 4
28 . 4 4 17 17 LEU CD2 C 13 26.61 0.03 . 1 . . . . 205 LEU CD2 . 12003 4
29 . 4 4 21 21 ILE HD11 H 1 0.730 0.005 . 1 . . . . 209 ILE MD . 12003 4
30 . 4 4 21 21 ILE HD12 H 1 0.730 0.005 . 1 . . . . 209 ILE MD . 12003 4
31 . 4 4 21 21 ILE HD13 H 1 0.730 0.005 . 1 . . . . 209 ILE MD . 12003 4
32 . 4 4 21 21 ILE CD1 C 13 13.86 0.03 . 1 . . . . 209 ILE CD1 . 12003 4
33 . 4 4 24 24 LEU HD11 H 1 1.143 0.005 . 1 . . . . 212 LEU MD1 . 12003 4
34 . 4 4 24 24 LEU HD12 H 1 1.143 0.005 . 1 . . . . 212 LEU MD1 . 12003 4
35 . 4 4 24 24 LEU HD13 H 1 1.143 0.005 . 1 . . . . 212 LEU MD1 . 12003 4
36 . 4 4 24 24 LEU HD21 H 1 1.064 0.005 . 1 . . . . 212 LEU MD2 . 12003 4
37 . 4 4 24 24 LEU HD22 H 1 1.064 0.005 . 1 . . . . 212 LEU MD2 . 12003 4
38 . 4 4 24 24 LEU HD23 H 1 1.064 0.005 . 1 . . . . 212 LEU MD2 . 12003 4
39 . 4 4 24 24 LEU CD1 C 13 23.99 0.03 . 1 . . . . 212 LEU CD1 . 12003 4
40 . 4 4 24 24 LEU CD2 C 13 26.31 0.03 . 1 . . . . 212 LEU CD2 . 12003 4
41 . 4 4 27 27 MET HE1 H 1 2.133 0.005 . 1 . . . . 215 MET ME . 12003 4
42 . 4 4 27 27 MET HE2 H 1 2.133 0.005 . 1 . . . . 215 MET ME . 12003 4
43 . 4 4 27 27 MET HE3 H 1 2.133 0.005 . 1 . . . . 215 MET ME . 12003 4
44 . 4 4 27 27 MET CE C 13 18.21 0.03 . 1 . . . . 215 MET CE . 12003 4
45 . 4 4 29 29 MET HE1 H 1 1.928 0.005 . 1 . . . . 217 MET ME . 12003 4
46 . 4 4 29 29 MET HE2 H 1 1.928 0.005 . 1 . . . . 217 MET ME . 12003 4
47 . 4 4 29 29 MET HE3 H 1 1.928 0.005 . 1 . . . . 217 MET ME . 12003 4
48 . 4 4 29 29 MET CE C 13 16.96 0.03 . 1 . . . . 217 MET CE . 12003 4
49 . 4 4 31 31 MET HE1 H 1 1.805 0.005 . 1 . . . . 219 MET ME . 12003 4
50 . 4 4 31 31 MET HE2 H 1 1.805 0.005 . 1 . . . . 219 MET ME . 12003 4
51 . 4 4 31 31 MET HE3 H 1 1.805 0.005 . 1 . . . . 219 MET ME . 12003 4
52 . 4 4 31 31 MET CE C 13 17.31 0.03 . 1 . . . . 219 MET CE . 12003 4
53 . 4 4 33 33 MET HE1 H 1 2.117 0.005 . 1 . . . . 221 MET ME . 12003 4
54 . 4 4 33 33 MET HE2 H 1 2.117 0.005 . 1 . . . . 221 MET ME . 12003 4
55 . 4 4 33 33 MET HE3 H 1 2.117 0.005 . 1 . . . . 221 MET ME . 12003 4
56 . 4 4 33 33 MET CE C 13 16.93 0.03 . 1 . . . . 221 MET CE . 12003 4
57 . 4 4 34 34 LEU HD11 H 1 0.807 0.005 . 1 . . . . 222 LEU MD1 . 12003 4
58 . 4 4 34 34 LEU HD12 H 1 0.807 0.005 . 1 . . . . 222 LEU MD1 . 12003 4
59 . 4 4 34 34 LEU HD13 H 1 0.807 0.005 . 1 . . . . 222 LEU MD1 . 12003 4
60 . 4 4 34 34 LEU HD21 H 1 0.859 0.005 . 1 . . . . 222 LEU MD2 . 12003 4
61 . 4 4 34 34 LEU HD22 H 1 0.859 0.005 . 1 . . . . 222 LEU MD2 . 12003 4
62 . 4 4 34 34 LEU HD23 H 1 0.859 0.005 . 1 . . . . 222 LEU MD2 . 12003 4
63 . 4 4 34 34 LEU CD1 C 13 24.95 0.03 . 1 . . . . 222 LEU CD1 . 12003 4
64 . 4 4 34 34 LEU CD2 C 13 23.41 0.03 . 1 . . . . 222 LEU CD2 . 12003 4
65 . 4 4 35 35 VAL HG11 H 1 1.048 0.005 . 1 . . . . 223 VAL MG1 . 12003 4
66 . 4 4 35 35 VAL HG12 H 1 1.048 0.005 . 1 . . . . 223 VAL MG1 . 12003 4
67 . 4 4 35 35 VAL HG13 H 1 1.048 0.005 . 1 . . . . 223 VAL MG1 . 12003 4
68 . 4 4 35 35 VAL HG21 H 1 0.993 0.005 . 1 . . . . 223 VAL MG2 . 12003 4
69 . 4 4 35 35 VAL HG22 H 1 0.993 0.005 . 1 . . . . 223 VAL MG2 . 12003 4
70 . 4 4 35 35 VAL HG23 H 1 0.993 0.005 . 1 . . . . 223 VAL MG2 . 12003 4
71 . 4 4 35 35 VAL CG1 C 13 21.88 0.03 . 1 . . . . 223 VAL CG1 . 12003 4
72 . 4 4 35 35 VAL CG2 C 13 24.40 0.03 . 1 . . . . 223 VAL CG2 . 12003 4
73 . 4 4 41 41 MET HE1 H 1 2.201 0.005 . 1 . . . . 229 MET ME . 12003 4
74 . 4 4 41 41 MET HE2 H 1 2.201 0.005 . 1 . . . . 229 MET ME . 12003 4
75 . 4 4 41 41 MET HE3 H 1 2.201 0.005 . 1 . . . . 229 MET ME . 12003 4
76 . 4 4 41 41 MET CE C 13 17.46 0.03 . 1 . . . . 229 MET CE . 12003 4
77 . 4 4 42 42 ILE HD11 H 1 0.797 0.005 . 1 . . . . 230 ILE MD . 12003 4
78 . 4 4 42 42 ILE HD12 H 1 0.797 0.005 . 1 . . . . 230 ILE MD . 12003 4
79 . 4 4 42 42 ILE HD13 H 1 0.797 0.005 . 1 . . . . 230 ILE MD . 12003 4
80 . 4 4 42 42 ILE CD1 C 13 13.50 0.03 . 1 . . . . 230 ILE CD1 . 12003 4
81 . 4 4 45 45 ILE HD11 H 1 0.826 0.005 . 1 . . . . 233 ILE MD . 12003 4
82 . 4 4 45 45 ILE HD12 H 1 0.826 0.005 . 1 . . . . 233 ILE MD . 12003 4
83 . 4 4 45 45 ILE HD13 H 1 0.826 0.005 . 1 . . . . 233 ILE MD . 12003 4
84 . 4 4 45 45 ILE CD1 C 13 14.62 0.03 . 1 . . . . 233 ILE CD1 . 12003 4
85 . 4 4 49 49 VAL HG11 H 1 1.087 0.005 . 1 . . . . 237 VAL MG1 . 12003 4
86 . 4 4 49 49 VAL HG12 H 1 1.087 0.005 . 1 . . . . 237 VAL MG1 . 12003 4
87 . 4 4 49 49 VAL HG13 H 1 1.087 0.005 . 1 . . . . 237 VAL MG1 . 12003 4
88 . 4 4 49 49 VAL HG21 H 1 1.123 0.005 . 1 . . . . 237 VAL MG2 . 12003 4
89 . 4 4 49 49 VAL HG22 H 1 1.123 0.005 . 1 . . . . 237 VAL MG2 . 12003 4
90 . 4 4 49 49 VAL HG23 H 1 1.123 0.005 . 1 . . . . 237 VAL MG2 . 12003 4
91 . 4 4 49 49 VAL CG1 C 13 21.28 0.03 . 1 . . . . 237 VAL CG1 . 12003 4
92 . 4 4 49 49 VAL CG2 C 13 25.08 0.03 . 1 . . . . 237 VAL CG2 . 12003 4
93 . 4 4 53 53 VAL HG11 H 1 1.116 0.005 . 1 . . . . 241 VAL MG1 . 12003 4
94 . 4 4 53 53 VAL HG12 H 1 1.116 0.005 . 1 . . . . 241 VAL MG1 . 12003 4
95 . 4 4 53 53 VAL HG13 H 1 1.116 0.005 . 1 . . . . 241 VAL MG1 . 12003 4
96 . 4 4 53 53 VAL HG21 H 1 1.116 0.005 . 1 . . . . 241 VAL MG2 . 12003 4
97 . 4 4 53 53 VAL HG22 H 1 1.116 0.005 . 1 . . . . 241 VAL MG2 . 12003 4
98 . 4 4 53 53 VAL HG23 H 1 1.116 0.005 . 1 . . . . 241 VAL MG2 . 12003 4
99 . 4 4 53 53 VAL CG1 C 13 23.35 0.03 . 1 . . . . 241 VAL CG1 . 12003 4
100 . 4 4 53 53 VAL CG2 C 13 23.00 0.03 . 1 . . . . 241 VAL CG2 . 12003 4
101 . 4 4 56 56 VAL HG11 H 1 0.687 0.005 . 1 . . . . 244 VAL MG1 . 12003 4
102 . 4 4 56 56 VAL HG12 H 1 0.687 0.005 . 1 . . . . 244 VAL MG1 . 12003 4
103 . 4 4 56 56 VAL HG13 H 1 0.687 0.005 . 1 . . . . 244 VAL MG1 . 12003 4
104 . 4 4 56 56 VAL HG21 H 1 1.246 0.005 . 1 . . . . 244 VAL MG2 . 12003 4
105 . 4 4 56 56 VAL HG22 H 1 1.246 0.005 . 1 . . . . 244 VAL MG2 . 12003 4
106 . 4 4 56 56 VAL HG23 H 1 1.246 0.005 . 1 . . . . 244 VAL MG2 . 12003 4
107 . 4 4 56 56 VAL CG1 C 13 20.71 0.03 . 1 . . . . 244 VAL CG1 . 12003 4
108 . 4 4 56 56 VAL CG2 C 13 24.13 0.03 . 1 . . . . 244 VAL CG2 . 12003 4
109 . 4 4 60 60 VAL HG11 H 1 0.950 0.005 . 1 . . . . 248 VAL MG1 . 12003 4
110 . 4 4 60 60 VAL HG12 H 1 0.950 0.005 . 1 . . . . 248 VAL MG1 . 12003 4
111 . 4 4 60 60 VAL HG13 H 1 0.950 0.005 . 1 . . . . 248 VAL MG1 . 12003 4
112 . 4 4 60 60 VAL HG21 H 1 1.129 0.005 . 1 . . . . 248 VAL MG2 . 12003 4
113 . 4 4 60 60 VAL HG22 H 1 1.129 0.005 . 1 . . . . 248 VAL MG2 . 12003 4
114 . 4 4 60 60 VAL HG23 H 1 1.129 0.005 . 1 . . . . 248 VAL MG2 . 12003 4
115 . 4 4 60 60 VAL CG1 C 13 21.52 0.03 . 1 . . . . 248 VAL CG1 . 12003 4
116 . 4 4 60 60 VAL CG2 C 13 23.65 0.03 . 1 . . . . 248 VAL CG2 . 12003 4
stop_
save_