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 27468
_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 HccanH' . . . 27468 1
2 '3D HNhH' . . . 27468 1
3 '2D hCH' . . . 27468 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $TOPSPIN . . 27468 1
2 $CcpNMR . . 27468 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.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 8 8 ILE H H 1 8.408 0.016 . 1 . . . . . 6 ILE H . 27468 1
2 . 1 1 8 8 ILE HD11 H 1 0.906 0.006 . 1 . . . . . 6 ILE HD11 . 27468 1
3 . 1 1 8 8 ILE HD12 H 1 0.906 0.006 . 1 . . . . . 6 ILE HD12 . 27468 1
4 . 1 1 8 8 ILE HD13 H 1 0.906 0.006 . 1 . . . . . 6 ILE HD13 . 27468 1
5 . 1 1 8 8 ILE CA C 13 62.433 0.102 . 1 . . . . . 6 ILE CA . 27468 1
6 . 1 1 8 8 ILE CG1 C 13 27.738 0.000 . 1 . . . . . 6 ILE CG1 . 27468 1
7 . 1 1 8 8 ILE CD1 C 13 14.180 0.020 . 1 . . . . . 6 ILE CD1 . 27468 1
8 . 1 1 8 8 ILE N N 15 122.308 0.125 . 1 . . . . . 6 ILE N . 27468 1
9 . 1 1 20 20 ILE H H 1 9.490 0.031 . 1 . . . . . 18 ILE H . 27468 1
10 . 1 1 20 20 ILE HD11 H 1 1.008 0.006 . 1 . . . . . 18 ILE HD11 . 27468 1
11 . 1 1 20 20 ILE HD12 H 1 1.008 0.006 . 1 . . . . . 18 ILE HD12 . 27468 1
12 . 1 1 20 20 ILE HD13 H 1 1.008 0.006 . 1 . . . . . 18 ILE HD13 . 27468 1
13 . 1 1 20 20 ILE CA C 13 64.203 0.121 . 1 . . . . . 18 ILE CA . 27468 1
14 . 1 1 20 20 ILE CG1 C 13 23.855 0.000 . 1 . . . . . 18 ILE CG1 . 27468 1
15 . 1 1 20 20 ILE CD1 C 13 15.846 0.005 . 1 . . . . . 18 ILE CD1 . 27468 1
16 . 1 1 20 20 ILE N N 15 122.072 0.206 . 1 . . . . . 18 ILE N . 27468 1
17 . 1 1 55 55 ILE H H 1 9.506 0.013 . 1 . . . . . 53 ILE H . 27468 1
18 . 1 1 55 55 ILE HD11 H 1 0.521 0.016 . 1 . . . . . 53 ILE HD11 . 27468 1
19 . 1 1 55 55 ILE HD12 H 1 0.521 0.016 . 1 . . . . . 53 ILE HD12 . 27468 1
20 . 1 1 55 55 ILE HD13 H 1 0.521 0.016 . 1 . . . . . 53 ILE HD13 . 27468 1
21 . 1 1 55 55 ILE CA C 13 59.785 0.137 . 1 . . . . . 53 ILE CA . 27468 1
22 . 1 1 55 55 ILE CG1 C 13 25.937 0.000 . 1 . . . . . 53 ILE CG1 . 27468 1
23 . 1 1 55 55 ILE CD1 C 13 12.809 0.007 . 1 . . . . . 53 ILE CD1 . 27468 1
24 . 1 1 55 55 ILE N N 15 130.115 0.121 . 1 . . . . . 53 ILE N . 27468 1
25 . 1 1 81 81 ILE H H 1 7.363 0.022 . 1 . . . . . 79 ILE H . 27468 1
26 . 1 1 81 81 ILE HD11 H 1 -0.085 0.008 . 1 . . . . . 79 ILE HD11 . 27468 1
27 . 1 1 81 81 ILE HD12 H 1 -0.085 0.008 . 1 . . . . . 79 ILE HD12 . 27468 1
28 . 1 1 81 81 ILE HD13 H 1 -0.085 0.008 . 1 . . . . . 79 ILE HD13 . 27468 1
29 . 1 1 81 81 ILE CA C 13 65.210 0.095 . 1 . . . . . 79 ILE CA . 27468 1
30 . 1 1 81 81 ILE CG1 C 13 29.693 0.066 . 1 . . . . . 79 ILE CG1 . 27468 1
31 . 1 1 81 81 ILE CD1 C 13 12.956 0.015 . 1 . . . . . 79 ILE CD1 . 27468 1
32 . 1 1 81 81 ILE N N 15 120.200 0.114 . 1 . . . . . 79 ILE N . 27468 1
33 . 1 1 91 91 ILE H H 1 9.223 0.014 . 1 . . . . . 89 ILE H . 27468 1
34 . 1 1 91 91 ILE HD11 H 1 0.967 0.012 . 1 . . . . . 89 ILE HD11 . 27468 1
35 . 1 1 91 91 ILE HD12 H 1 0.967 0.012 . 1 . . . . . 89 ILE HD12 . 27468 1
36 . 1 1 91 91 ILE HD13 H 1 0.967 0.012 . 1 . . . . . 89 ILE HD13 . 27468 1
37 . 1 1 91 91 ILE CA C 13 60.366 0.138 . 1 . . . . . 89 ILE CA . 27468 1
38 . 1 1 91 91 ILE CG1 C 13 28.849 0.000 . 1 . . . . . 89 ILE CG1 . 27468 1
39 . 1 1 91 91 ILE CD1 C 13 15.162 0.009 . 1 . . . . . 89 ILE CD1 . 27468 1
40 . 1 1 91 91 ILE N N 15 117.805 0.220 . 1 . . . . . 89 ILE N . 27468 1
41 . 1 1 130 130 ILE H H 1 9.683 0.013 . 1 . . . . . 128 ILE H . 27468 1
42 . 1 1 130 130 ILE HD11 H 1 1.129 0.008 . 1 . . . . . 128 ILE HD11 . 27468 1
43 . 1 1 130 130 ILE HD12 H 1 1.129 0.008 . 1 . . . . . 128 ILE HD12 . 27468 1
44 . 1 1 130 130 ILE HD13 H 1 1.129 0.008 . 1 . . . . . 128 ILE HD13 . 27468 1
45 . 1 1 130 130 ILE CA C 13 59.889 0.102 . 1 . . . . . 128 ILE CA . 27468 1
46 . 1 1 130 130 ILE CG1 C 13 27.635 0.038 . 1 . . . . . 128 ILE CG1 . 27468 1
47 . 1 1 130 130 ILE CD1 C 13 14.591 0.000 . 1 . . . . . 128 ILE CD1 . 27468 1
48 . 1 1 130 130 ILE N N 15 129.164 0.111 . 1 . . . . . 128 ILE N . 27468 1
49 . 1 1 132 132 ILE H H 1 8.948 0.013 . 1 . . . . . 130 ILE H . 27468 1
50 . 1 1 132 132 ILE HD11 H 1 0.801 0.009 . 1 . . . . . 130 ILE HD11 . 27468 1
51 . 1 1 132 132 ILE HD12 H 1 0.801 0.009 . 1 . . . . . 130 ILE HD12 . 27468 1
52 . 1 1 132 132 ILE HD13 H 1 0.801 0.009 . 1 . . . . . 130 ILE HD13 . 27468 1
53 . 1 1 132 132 ILE CA C 13 57.880 0.096 . 1 . . . . . 130 ILE CA . 27468 1
54 . 1 1 132 132 ILE CG1 C 13 24.846 0.000 . 1 . . . . . 130 ILE CG1 . 27468 1
55 . 1 1 132 132 ILE CD1 C 13 14.042 0.000 . 1 . . . . . 130 ILE CD1 . 27468 1
56 . 1 1 132 132 ILE N N 15 121.177 0.173 . 1 . . . . . 130 ILE N . 27468 1
57 . 1 1 137 137 ILE H H 1 9.008 0.021 . 1 . . . . . 135 ILE H . 27468 1
58 . 1 1 137 137 ILE HD11 H 1 0.581 0.014 . 1 . . . . . 135 ILE HD11 . 27468 1
59 . 1 1 137 137 ILE HD12 H 1 0.581 0.014 . 1 . . . . . 135 ILE HD12 . 27468 1
60 . 1 1 137 137 ILE HD13 H 1 0.581 0.014 . 1 . . . . . 135 ILE HD13 . 27468 1
61 . 1 1 137 137 ILE CA C 13 61.462 0.142 . 1 . . . . . 135 ILE CA . 27468 1
62 . 1 1 137 137 ILE CG1 C 13 27.993 0.000 . 1 . . . . . 135 ILE CG1 . 27468 1
63 . 1 1 137 137 ILE CD1 C 13 14.151 0.001 . 1 . . . . . 135 ILE CD1 . 27468 1
64 . 1 1 137 137 ILE N N 15 129.060 0.166 . 1 . . . . . 135 ILE N . 27468 1
65 . 1 1 145 145 ILE H H 1 9.809 0.012 . 1 . . . . . 143 ILE H . 27468 1
66 . 1 1 145 145 ILE HD11 H 1 0.357 0.008 . 1 . . . . . 143 ILE HD11 . 27468 1
67 . 1 1 145 145 ILE HD12 H 1 0.357 0.008 . 1 . . . . . 143 ILE HD12 . 27468 1
68 . 1 1 145 145 ILE HD13 H 1 0.357 0.008 . 1 . . . . . 143 ILE HD13 . 27468 1
69 . 1 1 145 145 ILE CA C 13 60.179 0.125 . 1 . . . . . 143 ILE CA . 27468 1
70 . 1 1 145 145 ILE CG1 C 13 28.279 0.000 . 1 . . . . . 143 ILE CG1 . 27468 1
71 . 1 1 145 145 ILE CD1 C 13 13.393 0.054 . 1 . . . . . 143 ILE CD1 . 27468 1
72 . 1 1 145 145 ILE N N 15 124.777 0.167 . 1 . . . . . 143 ILE N . 27468 1
73 . 1 1 152 152 ILE H H 1 7.540 0.011 . 1 . . . . . 150 ILE H . 27468 1
74 . 1 1 152 152 ILE HD11 H 1 0.778 0.014 . 1 . . . . . 150 ILE HD11 . 27468 1
75 . 1 1 152 152 ILE HD12 H 1 0.778 0.014 . 1 . . . . . 150 ILE HD12 . 27468 1
76 . 1 1 152 152 ILE HD13 H 1 0.778 0.014 . 1 . . . . . 150 ILE HD13 . 27468 1
77 . 1 1 152 152 ILE CA C 13 62.791 0.099 . 1 . . . . . 150 ILE CA . 27468 1
78 . 1 1 152 152 ILE CG1 C 13 28.185 0.000 . 1 . . . . . 150 ILE CG1 . 27468 1
79 . 1 1 152 152 ILE CD1 C 13 14.042 0.000 . 1 . . . . . 150 ILE CD1 . 27468 1
80 . 1 1 152 152 ILE N N 15 116.751 0.124 . 1 . . . . . 150 ILE N . 27468 1
stop_
save_