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 19414
_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-15N HSQC' . . . 19414 1
2 '2D 1H-13C HSQC aliphatic' . . . 19414 1
3 '2D 1H-13C HSQC aromatic' . . . 19414 1
4 '3D CBCA(CO)NH' . . . 19414 1
5 '3D HNCACB' . . . 19414 1
6 '3D HBHA(CO)NH' . . . 19414 1
7 '3D 1H-15N NOESY' . . . 19414 1
8 '3D 1H-13C NOESY aliphatic' . . . 19414 1
9 '3D 1H-13C NOESY aromatic' . . . 19414 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 6 6 ALA HB1 H 1 1.336 0.020 . 1 . . . A 8 ALA HB1 . 19414 1
2 . 1 1 6 6 ALA HB2 H 1 1.336 0.020 . 1 . . . A 8 ALA HB2 . 19414 1
3 . 1 1 6 6 ALA HB3 H 1 1.336 0.020 . 1 . . . A 8 ALA HB3 . 19414 1
4 . 1 1 6 6 ALA CB C 13 17.128 0.200 . 1 . . . A 8 ALA CB . 19414 1
5 . 1 1 28 28 VAL HG11 H 1 0.724 0.020 . 1 . . . A 30 VAL HG11 . 19414 1
6 . 1 1 28 28 VAL HG12 H 1 0.724 0.020 . 1 . . . A 30 VAL HG12 . 19414 1
7 . 1 1 28 28 VAL HG13 H 1 0.724 0.020 . 1 . . . A 30 VAL HG13 . 19414 1
8 . 1 1 28 28 VAL HG21 H 1 0.827 0.020 . 1 . . . A 30 VAL HG21 . 19414 1
9 . 1 1 28 28 VAL HG22 H 1 0.827 0.020 . 1 . . . A 30 VAL HG22 . 19414 1
10 . 1 1 28 28 VAL HG23 H 1 0.827 0.020 . 1 . . . A 30 VAL HG23 . 19414 1
11 . 1 1 28 28 VAL CG1 C 13 21.570 0.200 . 1 . . . A 30 VAL CG1 . 19414 1
12 . 1 1 28 28 VAL CG2 C 13 20.853 0.200 . 1 . . . A 30 VAL CG2 . 19414 1
13 . 1 1 30 30 LEU HD11 H 1 0.823 0.020 . 1 . . . A 32 LEU HD11 . 19414 1
14 . 1 1 30 30 LEU HD12 H 1 0.823 0.020 . 1 . . . A 32 LEU HD12 . 19414 1
15 . 1 1 30 30 LEU HD13 H 1 0.823 0.020 . 1 . . . A 32 LEU HD13 . 19414 1
16 . 1 1 30 30 LEU HD21 H 1 0.889 0.020 . 1 . . . A 32 LEU HD21 . 19414 1
17 . 1 1 30 30 LEU HD22 H 1 0.889 0.020 . 1 . . . A 32 LEU HD22 . 19414 1
18 . 1 1 30 30 LEU HD23 H 1 0.889 0.020 . 1 . . . A 32 LEU HD23 . 19414 1
19 . 1 1 30 30 LEU CD1 C 13 27.040 0.200 . 1 . . . A 32 LEU CD1 . 19414 1
20 . 1 1 30 30 LEU CD2 C 13 26.686 0.200 . 1 . . . A 32 LEU CD2 . 19414 1
21 . 1 1 45 45 ILE HG21 H 1 0.543 0.020 . 1 . . . A 47 ILE HG21 . 19414 1
22 . 1 1 45 45 ILE HG22 H 1 0.543 0.020 . 1 . . . A 47 ILE HG22 . 19414 1
23 . 1 1 45 45 ILE HG23 H 1 0.543 0.020 . 1 . . . A 47 ILE HG23 . 19414 1
24 . 1 1 45 45 ILE CG2 C 13 16.353 0.200 . 1 . . . A 47 ILE CG2 . 19414 1
25 . 1 1 46 46 VAL HG11 H 1 0.442 0.020 . 1 . . . A 48 VAL HG11 . 19414 1
26 . 1 1 46 46 VAL HG12 H 1 0.442 0.020 . 1 . . . A 48 VAL HG12 . 19414 1
27 . 1 1 46 46 VAL HG13 H 1 0.442 0.020 . 1 . . . A 48 VAL HG13 . 19414 1
28 . 1 1 46 46 VAL HG21 H 1 0.792 0.020 . 1 . . . A 48 VAL HG21 . 19414 1
29 . 1 1 46 46 VAL HG22 H 1 0.792 0.020 . 1 . . . A 48 VAL HG22 . 19414 1
30 . 1 1 46 46 VAL HG23 H 1 0.792 0.020 . 1 . . . A 48 VAL HG23 . 19414 1
31 . 1 1 46 46 VAL CG1 C 13 20.041 0.200 . 1 . . . A 48 VAL CG1 . 19414 1
32 . 1 1 46 46 VAL CG2 C 13 23.787 0.200 . 1 . . . A 48 VAL CG2 . 19414 1
33 . 1 1 52 52 LEU HD11 H 1 0.291 0.020 . 1 . . . A 54 LEU HD11 . 19414 1
34 . 1 1 52 52 LEU HD12 H 1 0.291 0.020 . 1 . . . A 54 LEU HD12 . 19414 1
35 . 1 1 52 52 LEU HD13 H 1 0.291 0.020 . 1 . . . A 54 LEU HD13 . 19414 1
36 . 1 1 52 52 LEU CD1 C 13 24.805 0.200 . 1 . . . A 54 LEU CD1 . 19414 1
37 . 1 1 59 59 VAL HG11 H 1 0.815 0.020 . 1 . . . A 61 VAL HG11 . 19414 1
38 . 1 1 59 59 VAL HG12 H 1 0.815 0.020 . 1 . . . A 61 VAL HG12 . 19414 1
39 . 1 1 59 59 VAL HG13 H 1 0.815 0.020 . 1 . . . A 61 VAL HG13 . 19414 1
40 . 1 1 59 59 VAL HG21 H 1 0.749 0.020 . 1 . . . A 61 VAL HG21 . 19414 1
41 . 1 1 59 59 VAL HG22 H 1 0.749 0.020 . 1 . . . A 61 VAL HG22 . 19414 1
42 . 1 1 59 59 VAL HG23 H 1 0.749 0.020 . 1 . . . A 61 VAL HG23 . 19414 1
43 . 1 1 59 59 VAL CG1 C 13 20.748 0.200 . 1 . . . A 61 VAL CG1 . 19414 1
44 . 1 1 59 59 VAL CG2 C 13 20.896 0.200 . 1 . . . A 61 VAL CG2 . 19414 1
45 . 1 1 61 61 LEU HD11 H 1 0.896 0.020 . 1 . . . A 63 LEU HD11 . 19414 1
46 . 1 1 61 61 LEU HD12 H 1 0.896 0.020 . 1 . . . A 63 LEU HD12 . 19414 1
47 . 1 1 61 61 LEU HD13 H 1 0.896 0.020 . 1 . . . A 63 LEU HD13 . 19414 1
48 . 1 1 61 61 LEU HD21 H 1 0.548 0.020 . 1 . . . A 63 LEU HD21 . 19414 1
49 . 1 1 61 61 LEU HD22 H 1 0.548 0.020 . 1 . . . A 63 LEU HD22 . 19414 1
50 . 1 1 61 61 LEU HD23 H 1 0.548 0.020 . 1 . . . A 63 LEU HD23 . 19414 1
51 . 1 1 61 61 LEU CD1 C 13 26.099 0.200 . 1 . . . A 63 LEU CD1 . 19414 1
52 . 1 1 61 61 LEU CD2 C 13 23.001 0.200 . 1 . . . A 63 LEU CD2 . 19414 1
53 . 1 1 63 63 ALA HB1 H 1 0.536 0.020 . 1 . . . A 65 ALA HB1 . 19414 1
54 . 1 1 63 63 ALA HB2 H 1 0.536 0.020 . 1 . . . A 65 ALA HB2 . 19414 1
55 . 1 1 63 63 ALA HB3 H 1 0.536 0.020 . 1 . . . A 65 ALA HB3 . 19414 1
56 . 1 1 63 63 ALA CB C 13 18.816 0.200 . 1 . . . A 65 ALA CB . 19414 1
57 . 1 1 64 64 LEU HD11 H 1 1.085 0.020 . 1 . . . A 66 LEU HD11 . 19414 1
58 . 1 1 64 64 LEU HD12 H 1 1.085 0.020 . 1 . . . A 66 LEU HD12 . 19414 1
59 . 1 1 64 64 LEU HD13 H 1 1.085 0.020 . 1 . . . A 66 LEU HD13 . 19414 1
60 . 1 1 64 64 LEU HD21 H 1 0.833 0.020 . 1 . . . A 66 LEU HD21 . 19414 1
61 . 1 1 64 64 LEU HD22 H 1 0.833 0.020 . 1 . . . A 66 LEU HD22 . 19414 1
62 . 1 1 64 64 LEU HD23 H 1 0.833 0.020 . 1 . . . A 66 LEU HD23 . 19414 1
63 . 1 1 64 64 LEU CD1 C 13 28.837 0.200 . 1 . . . A 66 LEU CD1 . 19414 1
64 . 1 1 64 64 LEU CD2 C 13 24.845 0.200 . 1 . . . A 66 LEU CD2 . 19414 1
65 . 1 1 75 75 MET HE1 H 1 1.945 0.020 . 1 . . . A 77 MET HE1 . 19414 1
66 . 1 1 75 75 MET HE2 H 1 1.945 0.020 . 1 . . . A 77 MET HE2 . 19414 1
67 . 1 1 75 75 MET HE3 H 1 1.945 0.020 . 1 . . . A 77 MET HE3 . 19414 1
68 . 1 1 75 75 MET CE C 13 16.702 0.200 . 1 . . . A 77 MET CE . 19414 1
69 . 1 1 77 77 LEU HD11 H 1 0.979 0.020 . 1 . . . A 79 LEU HD11 . 19414 1
70 . 1 1 77 77 LEU HD12 H 1 0.979 0.020 . 1 . . . A 79 LEU HD12 . 19414 1
71 . 1 1 77 77 LEU HD13 H 1 0.979 0.020 . 1 . . . A 79 LEU HD13 . 19414 1
72 . 1 1 77 77 LEU HD21 H 1 1.242 0.020 . 1 . . . A 79 LEU HD21 . 19414 1
73 . 1 1 77 77 LEU HD22 H 1 1.242 0.020 . 1 . . . A 79 LEU HD22 . 19414 1
74 . 1 1 77 77 LEU HD23 H 1 1.242 0.020 . 1 . . . A 79 LEU HD23 . 19414 1
75 . 1 1 77 77 LEU CD1 C 13 26.178 0.200 . 1 . . . A 79 LEU CD1 . 19414 1
76 . 1 1 77 77 LEU CD2 C 13 22.369 0.200 . 1 . . . A 79 LEU CD2 . 19414 1
77 . 1 1 84 84 VAL HG21 H 1 0.575 0.020 . 1 . . . A 86 VAL HG21 . 19414 1
78 . 1 1 84 84 VAL HG22 H 1 0.575 0.020 . 1 . . . A 86 VAL HG22 . 19414 1
79 . 1 1 84 84 VAL HG23 H 1 0.575 0.020 . 1 . . . A 86 VAL HG23 . 19414 1
80 . 1 1 84 84 VAL CG2 C 13 18.745 0.200 . 1 . . . A 86 VAL CG2 . 19414 1
81 . 1 1 96 96 ILE HG21 H 1 -0.034 0.020 . 1 . . . A 98 ILE HG21 . 19414 1
82 . 1 1 96 96 ILE HG22 H 1 -0.034 0.020 . 1 . . . A 98 ILE HG22 . 19414 1
83 . 1 1 96 96 ILE HG23 H 1 -0.034 0.020 . 1 . . . A 98 ILE HG23 . 19414 1
84 . 1 1 96 96 ILE CG2 C 13 15.500 0.200 . 1 . . . A 98 ILE CG2 . 19414 1
85 . 1 1 103 103 LEU HD11 H 1 0.187 0.020 . 1 . . . A 105 LEU HD11 . 19414 1
86 . 1 1 103 103 LEU HD12 H 1 0.187 0.020 . 1 . . . A 105 LEU HD12 . 19414 1
87 . 1 1 103 103 LEU HD13 H 1 0.187 0.020 . 1 . . . A 105 LEU HD13 . 19414 1
88 . 1 1 103 103 LEU HD21 H 1 0.347 0.020 . 1 . . . A 105 LEU HD21 . 19414 1
89 . 1 1 103 103 LEU HD22 H 1 0.347 0.020 . 1 . . . A 105 LEU HD22 . 19414 1
90 . 1 1 103 103 LEU HD23 H 1 0.347 0.020 . 1 . . . A 105 LEU HD23 . 19414 1
91 . 1 1 103 103 LEU CD1 C 13 26.198 0.200 . 1 . . . A 105 LEU CD1 . 19414 1
92 . 1 1 103 103 LEU CD2 C 13 22.518 0.200 . 1 . . . A 105 LEU CD2 . 19414 1
93 . 1 1 109 109 MET HE1 H 1 2.100 0.020 . 1 . . . A 111 MET HE1 . 19414 1
94 . 1 1 109 109 MET HE2 H 1 2.100 0.020 . 1 . . . A 111 MET HE2 . 19414 1
95 . 1 1 109 109 MET HE3 H 1 2.100 0.020 . 1 . . . A 111 MET HE3 . 19414 1
96 . 1 1 109 109 MET CE C 13 19.388 0.200 . 1 . . . A 111 MET CE . 19414 1
97 . 1 1 113 113 LEU HD11 H 1 0.020 0.020 . 1 . . . A 115 LEU HD11 . 19414 1
98 . 1 1 113 113 LEU HD12 H 1 0.020 0.020 . 1 . . . A 115 LEU HD12 . 19414 1
99 . 1 1 113 113 LEU HD13 H 1 0.020 0.020 . 1 . . . A 115 LEU HD13 . 19414 1
100 . 1 1 113 113 LEU CD1 C 13 26.472 0.200 . 1 . . . A 115 LEU CD1 . 19414 1
101 . 1 1 118 118 VAL HG11 H 1 0.762 0.020 . 1 . . . A 120 VAL HG11 . 19414 1
102 . 1 1 118 118 VAL HG12 H 1 0.762 0.020 . 1 . . . A 120 VAL HG12 . 19414 1
103 . 1 1 118 118 VAL HG13 H 1 0.762 0.020 . 1 . . . A 120 VAL HG13 . 19414 1
104 . 1 1 118 118 VAL HG21 H 1 0.716 0.020 . 1 . . . A 120 VAL HG21 . 19414 1
105 . 1 1 118 118 VAL HG22 H 1 0.716 0.020 . 1 . . . A 120 VAL HG22 . 19414 1
106 . 1 1 118 118 VAL HG23 H 1 0.716 0.020 . 1 . . . A 120 VAL HG23 . 19414 1
107 . 1 1 118 118 VAL CG1 C 13 20.994 0.200 . 1 . . . A 120 VAL CG1 . 19414 1
108 . 1 1 118 118 VAL CG2 C 13 21.688 0.200 . 1 . . . A 120 VAL CG2 . 19414 1
109 . 1 1 136 136 MET HE1 H 1 2.127 0.020 . 1 . . . A 138 MET HE1 . 19414 1
110 . 1 1 136 136 MET HE2 H 1 2.127 0.020 . 1 . . . A 138 MET HE2 . 19414 1
111 . 1 1 136 136 MET HE3 H 1 2.127 0.020 . 1 . . . A 138 MET HE3 . 19414 1
112 . 1 1 136 136 MET CE C 13 17.721 0.200 . 1 . . . A 138 MET CE . 19414 1
113 . 1 1 142 142 LEU HD11 H 1 0.426 0.020 . 1 . . . A 144 LEU HD11 . 19414 1
114 . 1 1 142 142 LEU HD12 H 1 0.426 0.020 . 1 . . . A 144 LEU HD12 . 19414 1
115 . 1 1 142 142 LEU HD13 H 1 0.426 0.020 . 1 . . . A 144 LEU HD13 . 19414 1
116 . 1 1 142 142 LEU HD21 H 1 0.404 0.020 . 1 . . . A 144 LEU HD21 . 19414 1
117 . 1 1 142 142 LEU HD22 H 1 0.404 0.020 . 1 . . . A 144 LEU HD22 . 19414 1
118 . 1 1 142 142 LEU HD23 H 1 0.404 0.020 . 1 . . . A 144 LEU HD23 . 19414 1
119 . 1 1 142 142 LEU CD1 C 13 26.109 0.200 . 1 . . . A 144 LEU CD1 . 19414 1
120 . 1 1 142 142 LEU CD2 C 13 21.813 0.200 . 1 . . . A 144 LEU CD2 . 19414 1
121 . 1 1 144 144 MET HE1 H 1 2.053 0.020 . 1 . . . A 146 MET HE1 . 19414 1
122 . 1 1 144 144 MET HE2 H 1 2.053 0.020 . 1 . . . A 146 MET HE2 . 19414 1
123 . 1 1 144 144 MET HE3 H 1 2.053 0.020 . 1 . . . A 146 MET HE3 . 19414 1
124 . 1 1 144 144 MET CE C 13 16.567 0.200 . 1 . . . A 146 MET CE . 19414 1
125 . 1 1 145 145 ALA HB1 H 1 1.329 0.020 . 1 . . . A 147 ALA HB1 . 19414 1
126 . 1 1 145 145 ALA HB2 H 1 1.329 0.020 . 1 . . . A 147 ALA HB2 . 19414 1
127 . 1 1 145 145 ALA HB3 H 1 1.329 0.020 . 1 . . . A 147 ALA HB3 . 19414 1
128 . 1 1 145 145 ALA CB C 13 17.951 0.200 . 1 . . . A 147 ALA CB . 19414 1
129 . 1 1 155 155 VAL HG11 H 1 0.407 0.020 . 1 . . . A 157 VAL HG11 . 19414 1
130 . 1 1 155 155 VAL HG12 H 1 0.407 0.020 . 1 . . . A 157 VAL HG12 . 19414 1
131 . 1 1 155 155 VAL HG13 H 1 0.407 0.020 . 1 . . . A 157 VAL HG13 . 19414 1
132 . 1 1 155 155 VAL HG21 H 1 0.131 0.020 . 1 . . . A 157 VAL HG21 . 19414 1
133 . 1 1 155 155 VAL HG22 H 1 0.131 0.020 . 1 . . . A 157 VAL HG22 . 19414 1
134 . 1 1 155 155 VAL HG23 H 1 0.131 0.020 . 1 . . . A 157 VAL HG23 . 19414 1
135 . 1 1 155 155 VAL CG1 C 13 20.031 0.200 . 1 . . . A 157 VAL CG1 . 19414 1
136 . 1 1 155 155 VAL CG2 C 13 19.400 0.200 . 1 . . . A 157 VAL CG2 . 19414 1
137 . 1 1 156 156 VAL HG11 H 1 1.047 0.020 . 1 . . . A 158 VAL HG11 . 19414 1
138 . 1 1 156 156 VAL HG12 H 1 1.047 0.020 . 1 . . . A 158 VAL HG12 . 19414 1
139 . 1 1 156 156 VAL HG13 H 1 1.047 0.020 . 1 . . . A 158 VAL HG13 . 19414 1
140 . 1 1 156 156 VAL HG21 H 1 1.393 0.020 . 1 . . . A 158 VAL HG21 . 19414 1
141 . 1 1 156 156 VAL HG22 H 1 1.393 0.020 . 1 . . . A 158 VAL HG22 . 19414 1
142 . 1 1 156 156 VAL HG23 H 1 1.393 0.020 . 1 . . . A 158 VAL HG23 . 19414 1
143 . 1 1 156 156 VAL CG1 C 13 20.335 0.200 . 1 . . . A 158 VAL CG1 . 19414 1
144 . 1 1 156 156 VAL CG2 C 13 22.458 0.200 . 1 . . . A 158 VAL CG2 . 19414 1
145 . 1 1 164 164 ILE HG21 H 1 0.462 0.020 . 1 . . . A 166 ILE HG21 . 19414 1
146 . 1 1 164 164 ILE HG22 H 1 0.462 0.020 . 1 . . . A 166 ILE HG22 . 19414 1
147 . 1 1 164 164 ILE HG23 H 1 0.462 0.020 . 1 . . . A 166 ILE HG23 . 19414 1
148 . 1 1 164 164 ILE CG2 C 13 16.545 0.200 . 1 . . . A 166 ILE CG2 . 19414 1
149 . 1 1 167 167 ALA HB1 H 1 1.494 0.020 . 1 . . . A 169 ALA HB1 . 19414 1
150 . 1 1 167 167 ALA HB2 H 1 1.494 0.020 . 1 . . . A 169 ALA HB2 . 19414 1
151 . 1 1 167 167 ALA HB3 H 1 1.494 0.020 . 1 . . . A 169 ALA HB3 . 19414 1
152 . 1 1 167 167 ALA CB C 13 20.092 0.200 . 1 . . . A 169 ALA CB . 19414 1
153 . 1 1 174 174 LEU HD11 H 1 0.348 0.020 . 1 . . . A 176 LEU HD11 . 19414 1
154 . 1 1 174 174 LEU HD12 H 1 0.348 0.020 . 1 . . . A 176 LEU HD12 . 19414 1
155 . 1 1 174 174 LEU HD13 H 1 0.348 0.020 . 1 . . . A 176 LEU HD13 . 19414 1
156 . 1 1 174 174 LEU HD21 H 1 -0.478 0.020 . 1 . . . A 176 LEU HD21 . 19414 1
157 . 1 1 174 174 LEU HD22 H 1 -0.478 0.020 . 1 . . . A 176 LEU HD22 . 19414 1
158 . 1 1 174 174 LEU HD23 H 1 -0.478 0.020 . 1 . . . A 176 LEU HD23 . 19414 1
159 . 1 1 174 174 LEU CD1 C 13 25.601 0.200 . 1 . . . A 176 LEU CD1 . 19414 1
160 . 1 1 174 174 LEU CD2 C 13 20.001 0.200 . 1 . . . A 176 LEU CD2 . 19414 1
161 . 1 1 176 176 LEU HD11 H 1 -0.294 0.020 . 1 . . . A 178 LEU HD11 . 19414 1
162 . 1 1 176 176 LEU HD12 H 1 -0.294 0.020 . 1 . . . A 178 LEU HD12 . 19414 1
163 . 1 1 176 176 LEU HD13 H 1 -0.294 0.020 . 1 . . . A 178 LEU HD13 . 19414 1
164 . 1 1 176 176 LEU CD1 C 13 20.856 0.200 . 1 . . . A 178 LEU CD1 . 19414 1
165 . 1 1 180 180 LEU HD11 H 1 -0.177 0.020 . 1 . . . A 182 LEU HD11 . 19414 1
166 . 1 1 180 180 LEU HD12 H 1 -0.177 0.020 . 1 . . . A 182 LEU HD12 . 19414 1
167 . 1 1 180 180 LEU HD13 H 1 -0.177 0.020 . 1 . . . A 182 LEU HD13 . 19414 1
168 . 1 1 180 180 LEU CD1 C 13 26.461 0.200 . 1 . . . A 182 LEU CD1 . 19414 1
169 . 2 2 1 1 1YO HAA H 1 2.371 0.020 . 1 . . . . 1 DRG HAA . 19414 1
170 . 2 2 1 1 1YO HAB H 1 2.371 0.020 . 1 . . . . 1 DRG HAB . 19414 1
171 . 2 2 1 1 1YO HAC H 1 2.371 0.020 . 1 . . . . 1 DRG HAC . 19414 1
172 . 2 2 1 1 1YO HAD H 1 7.192 0.020 . 4 . . . . 1 DRG HAD . 19414 1
173 . 2 2 1 1 1YO HAE H 1 7.138 0.020 . 4 . . . . 1 DRG HAE . 19414 1
174 . 2 2 1 1 1YO HAF H 1 7.028 0.020 . 1 . . . . 1 DRG HAF . 19414 1
175 . 2 2 1 1 1YO HAG H 1 7.192 0.020 . 4 . . . . 1 DRG HAG . 19414 1
176 . 2 2 1 1 1YO HAI H 1 4.284 0.020 . 2 . . . . 1 DRG HAI . 19414 1
177 . 2 2 1 1 1YO HAJ H 1 4.284 0.020 . 2 . . . . 1 DRG HAJ . 19414 1
stop_
save_