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 18629
_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-13C HSQC' . . . 18629 1
2 '3D 1H-13C NOESY' . . . 18629 1
3 '2D 1H-1H NOESY' . . . 18629 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 1 1 MET HE1 H 1 1.946 0.000 . 2 . . . . A 1 MET HE1 . 18629 1
2 . 1 1 1 1 MET HE2 H 1 1.946 0.000 . 2 . . . . A 1 MET HE2 . 18629 1
3 . 1 1 1 1 MET HE3 H 1 1.946 0.000 . 2 . . . . A 1 MET HE3 . 18629 1
4 . 1 1 1 1 MET CE C 13 16.836 0.000 . 1 . . . . A 1 MET CE . 18629 1
5 . 1 1 5 5 LYS HE2 H 1 2.773 0.000 . 2 . . . . A 5 LYS HE2 . 18629 1
6 . 1 1 5 5 LYS HE3 H 1 2.773 0.000 . 2 . . . . A 5 LYS HE3 . 18629 1
7 . 1 1 5 5 LYS CE C 13 41.672 0.000 . 1 . . . . A 5 LYS CE . 18629 1
8 . 1 1 6 6 LEU HD11 H 1 0.657 0.000 . 2 . . . . A 6 LEU HD11 . 18629 1
9 . 1 1 6 6 LEU HD12 H 1 0.657 0.000 . 2 . . . . A 6 LEU HD12 . 18629 1
10 . 1 1 6 6 LEU HD13 H 1 0.657 0.000 . 2 . . . . A 6 LEU HD13 . 18629 1
11 . 1 1 6 6 LEU HD21 H 1 0.981 0.000 . 2 . . . . A 6 LEU HD21 . 18629 1
12 . 1 1 6 6 LEU HD22 H 1 0.981 0.000 . 2 . . . . A 6 LEU HD22 . 18629 1
13 . 1 1 6 6 LEU HD23 H 1 0.981 0.000 . 2 . . . . A 6 LEU HD23 . 18629 1
14 . 1 1 6 6 LEU CD1 C 13 23.711 0.000 . 1 . . . . A 6 LEU CD1 . 18629 1
15 . 1 1 6 6 LEU CD2 C 13 26.648 0.000 . 1 . . . . A 6 LEU CD2 . 18629 1
16 . 1 1 8 8 VAL HG11 H 1 0.920 0.000 . 2 . . . . A 8 VAL HG11 . 18629 1
17 . 1 1 8 8 VAL HG12 H 1 0.920 0.000 . 2 . . . . A 8 VAL HG12 . 18629 1
18 . 1 1 8 8 VAL HG13 H 1 0.920 0.000 . 2 . . . . A 8 VAL HG13 . 18629 1
19 . 1 1 8 8 VAL HG21 H 1 0.948 0.000 . 2 . . . . A 8 VAL HG21 . 18629 1
20 . 1 1 8 8 VAL HG22 H 1 0.948 0.000 . 2 . . . . A 8 VAL HG22 . 18629 1
21 . 1 1 8 8 VAL HG23 H 1 0.948 0.000 . 2 . . . . A 8 VAL HG23 . 18629 1
22 . 1 1 8 8 VAL CG1 C 13 22.341 0.000 . 1 . . . . A 8 VAL CG1 . 18629 1
23 . 1 1 8 8 VAL CG2 C 13 20.444 0.000 . 1 . . . . A 8 VAL CG2 . 18629 1
24 . 1 1 11 11 ALA HB1 H 1 1.607 0.000 . 2 . . . . A 11 ALA HB1 . 18629 1
25 . 1 1 11 11 ALA HB2 H 1 1.607 0.000 . 2 . . . . A 11 ALA HB2 . 18629 1
26 . 1 1 11 11 ALA HB3 H 1 1.607 0.000 . 2 . . . . A 11 ALA HB3 . 18629 1
27 . 1 1 11 11 ALA CB C 13 19.731 0.000 . 1 . . . . A 11 ALA CB . 18629 1
28 . 1 1 18 18 ALA HB1 H 1 1.472 0.000 . 2 . . . . A 18 ALA HB1 . 18629 1
29 . 1 1 18 18 ALA HB2 H 1 1.472 0.000 . 2 . . . . A 18 ALA HB2 . 18629 1
30 . 1 1 18 18 ALA HB3 H 1 1.472 0.000 . 2 . . . . A 18 ALA HB3 . 18629 1
31 . 1 1 18 18 ALA CB C 13 18.620 0.000 . 1 . . . . A 18 ALA CB . 18629 1
32 . 1 1 19 19 LEU HD11 H 1 0.631 0.000 . 2 . . . . A 19 LEU HD11 . 18629 1
33 . 1 1 19 19 LEU HD12 H 1 0.631 0.000 . 2 . . . . A 19 LEU HD12 . 18629 1
34 . 1 1 19 19 LEU HD13 H 1 0.631 0.000 . 2 . . . . A 19 LEU HD13 . 18629 1
35 . 1 1 19 19 LEU CD1 C 13 26.586 0.000 . 1 . . . . A 19 LEU CD1 . 18629 1
36 . 1 1 20 20 THR HG21 H 1 0.545 0.000 . 2 . . . . A 20 THR HG21 . 18629 1
37 . 1 1 20 20 THR HG22 H 1 0.545 0.000 . 2 . . . . A 20 THR HG22 . 18629 1
38 . 1 1 20 20 THR HG23 H 1 0.545 0.000 . 2 . . . . A 20 THR HG23 . 18629 1
39 . 1 1 20 20 THR CG2 C 13 22.138 0.000 . 1 . . . . A 20 THR CG2 . 18629 1
40 . 1 1 21 21 ILE HG21 H 1 0.677 0.000 . 2 . . . . A 21 ILE HG21 . 18629 1
41 . 1 1 21 21 ILE HG22 H 1 0.677 0.000 . 2 . . . . A 21 ILE HG22 . 18629 1
42 . 1 1 21 21 ILE HG23 H 1 0.677 0.000 . 2 . . . . A 21 ILE HG23 . 18629 1
43 . 1 1 21 21 ILE HD11 H 1 0.625 0.000 . 2 . . . . A 21 ILE HD11 . 18629 1
44 . 1 1 21 21 ILE HD12 H 1 0.625 0.000 . 2 . . . . A 21 ILE HD12 . 18629 1
45 . 1 1 21 21 ILE HD13 H 1 0.625 0.000 . 2 . . . . A 21 ILE HD13 . 18629 1
46 . 1 1 21 21 ILE CG2 C 13 17.585 0.000 . 1 . . . . A 21 ILE CG2 . 18629 1
47 . 1 1 21 21 ILE CD1 C 13 11.970 0.000 . 1 . . . . A 21 ILE CD1 . 18629 1
48 . 1 1 23 23 LEU HD11 H 1 -0.191 0.000 . 2 . . . . A 23 LEU HD11 . 18629 1
49 . 1 1 23 23 LEU HD12 H 1 -0.191 0.000 . 2 . . . . A 23 LEU HD12 . 18629 1
50 . 1 1 23 23 LEU HD13 H 1 -0.191 0.000 . 2 . . . . A 23 LEU HD13 . 18629 1
51 . 1 1 23 23 LEU HD21 H 1 0.617 0.000 . 2 . . . . A 23 LEU HD21 . 18629 1
52 . 1 1 23 23 LEU HD22 H 1 0.617 0.000 . 2 . . . . A 23 LEU HD22 . 18629 1
53 . 1 1 23 23 LEU HD23 H 1 0.617 0.000 . 2 . . . . A 23 LEU HD23 . 18629 1
54 . 1 1 23 23 LEU CD1 C 13 23.758 0.000 . 1 . . . . A 23 LEU CD1 . 18629 1
55 . 1 1 23 23 LEU CD2 C 13 22.658 0.000 . 1 . . . . A 23 LEU CD2 . 18629 1
56 . 1 1 24 24 ILE HD11 H 1 0.479 0.000 . 2 . . . . A 24 ILE HD11 . 18629 1
57 . 1 1 24 24 ILE HD12 H 1 0.479 0.000 . 2 . . . . A 24 ILE HD12 . 18629 1
58 . 1 1 24 24 ILE HD13 H 1 0.479 0.000 . 2 . . . . A 24 ILE HD13 . 18629 1
59 . 1 1 24 24 ILE CD1 C 13 10.465 0.000 . 1 . . . . A 24 ILE CD1 . 18629 1
60 . 1 1 29 29 VAL HG11 H 1 0.625 0.000 . 2 . . . . A 29 VAL HG11 . 18629 1
61 . 1 1 29 29 VAL HG12 H 1 0.625 0.000 . 2 . . . . A 29 VAL HG12 . 18629 1
62 . 1 1 29 29 VAL HG13 H 1 0.625 0.000 . 2 . . . . A 29 VAL HG13 . 18629 1
63 . 1 1 29 29 VAL HG21 H 1 0.712 0.000 . 2 . . . . A 29 VAL HG21 . 18629 1
64 . 1 1 29 29 VAL HG22 H 1 0.712 0.000 . 2 . . . . A 29 VAL HG22 . 18629 1
65 . 1 1 29 29 VAL HG23 H 1 0.712 0.000 . 2 . . . . A 29 VAL HG23 . 18629 1
66 . 1 1 29 29 VAL CG1 C 13 19.906 0.000 . 1 . . . . A 29 VAL CG1 . 18629 1
67 . 1 1 29 29 VAL CG2 C 13 21.338 0.000 . 1 . . . . A 29 VAL CG2 . 18629 1
68 . 1 1 36 36 ILE HG21 H 1 0.899 0.000 . 2 . . . . A 36 ILE HG21 . 18629 1
69 . 1 1 36 36 ILE HG22 H 1 0.899 0.000 . 2 . . . . A 36 ILE HG22 . 18629 1
70 . 1 1 36 36 ILE HG23 H 1 0.899 0.000 . 2 . . . . A 36 ILE HG23 . 18629 1
71 . 1 1 36 36 ILE HD11 H 1 0.841 0.000 . 2 . . . . A 36 ILE HD11 . 18629 1
72 . 1 1 36 36 ILE HD12 H 1 0.841 0.000 . 2 . . . . A 36 ILE HD12 . 18629 1
73 . 1 1 36 36 ILE HD13 H 1 0.841 0.000 . 2 . . . . A 36 ILE HD13 . 18629 1
74 . 1 1 36 36 ILE CG2 C 13 17.764 0.000 . 1 . . . . A 36 ILE CG2 . 18629 1
75 . 1 1 36 36 ILE CD1 C 13 13.453 0.000 . 1 . . . . A 36 ILE CD1 . 18629 1
76 . 1 1 44 44 VAL HG11 H 1 0.670 0.000 . 2 . . . . A 44 VAL HG11 . 18629 1
77 . 1 1 44 44 VAL HG12 H 1 0.670 0.000 . 2 . . . . A 44 VAL HG12 . 18629 1
78 . 1 1 44 44 VAL HG13 H 1 0.670 0.000 . 2 . . . . A 44 VAL HG13 . 18629 1
79 . 1 1 44 44 VAL CG1 C 13 19.746 0.000 . 1 . . . . A 44 VAL CG1 . 18629 1
80 . 1 1 45 45 VAL HG11 H 1 0.647 0.000 . 2 . . . . A 45 VAL HG11 . 18629 1
81 . 1 1 45 45 VAL HG12 H 1 0.647 0.000 . 2 . . . . A 45 VAL HG12 . 18629 1
82 . 1 1 45 45 VAL HG13 H 1 0.647 0.000 . 2 . . . . A 45 VAL HG13 . 18629 1
83 . 1 1 45 45 VAL HG21 H 1 0.895 0.000 . 2 . . . . A 45 VAL HG21 . 18629 1
84 . 1 1 45 45 VAL HG22 H 1 0.895 0.000 . 2 . . . . A 45 VAL HG22 . 18629 1
85 . 1 1 45 45 VAL HG23 H 1 0.895 0.000 . 2 . . . . A 45 VAL HG23 . 18629 1
86 . 1 1 45 45 VAL CG1 C 13 20.945 0.000 . 1 . . . . A 45 VAL CG1 . 18629 1
87 . 1 1 45 45 VAL CG2 C 13 21.018 0.000 . 1 . . . . A 45 VAL CG2 . 18629 1
88 . 1 1 46 46 ILE HG21 H 1 0.526 0.000 . 2 . . . . A 46 ILE HG21 . 18629 1
89 . 1 1 46 46 ILE HG22 H 1 0.526 0.000 . 2 . . . . A 46 ILE HG22 . 18629 1
90 . 1 1 46 46 ILE HG23 H 1 0.526 0.000 . 2 . . . . A 46 ILE HG23 . 18629 1
91 . 1 1 46 46 ILE CG2 C 13 16.330 0.000 . 1 . . . . A 46 ILE CG2 . 18629 1
92 . 1 1 50 50 THR HG21 H 1 1.188 0.000 . 2 . . . . A 50 THR HG21 . 18629 1
93 . 1 1 50 50 THR HG22 H 1 1.188 0.000 . 2 . . . . A 50 THR HG22 . 18629 1
94 . 1 1 50 50 THR HG23 H 1 1.188 0.000 . 2 . . . . A 50 THR HG23 . 18629 1
95 . 1 1 50 50 THR CG2 C 13 22.177 0.000 . 1 . . . . A 50 THR CG2 . 18629 1
96 . 1 1 52 52 LEU HD11 H 1 0.773 0.000 . 2 . . . . A 52 LEU HD11 . 18629 1
97 . 1 1 52 52 LEU HD12 H 1 0.773 0.000 . 2 . . . . A 52 LEU HD12 . 18629 1
98 . 1 1 52 52 LEU HD13 H 1 0.773 0.000 . 2 . . . . A 52 LEU HD13 . 18629 1
99 . 1 1 52 52 LEU HD21 H 1 0.794 0.000 . 2 . . . . A 52 LEU HD21 . 18629 1
100 . 1 1 52 52 LEU HD22 H 1 0.794 0.000 . 2 . . . . A 52 LEU HD22 . 18629 1
101 . 1 1 52 52 LEU HD23 H 1 0.794 0.000 . 2 . . . . A 52 LEU HD23 . 18629 1
102 . 1 1 52 52 LEU CD1 C 13 24.634 0.000 . 1 . . . . A 52 LEU CD1 . 18629 1
103 . 1 1 52 52 LEU CD2 C 13 24.836 0.000 . 1 . . . . A 52 LEU CD2 . 18629 1
104 . 1 1 53 53 LEU HD11 H 1 0.802 0.000 . 2 . . . . A 53 LEU HD11 . 18629 1
105 . 1 1 53 53 LEU HD12 H 1 0.802 0.000 . 2 . . . . A 53 LEU HD12 . 18629 1
106 . 1 1 53 53 LEU HD13 H 1 0.802 0.000 . 2 . . . . A 53 LEU HD13 . 18629 1
107 . 1 1 53 53 LEU CD1 C 13 25.555 0.000 . 1 . . . . A 53 LEU CD1 . 18629 1
108 . 1 1 55 55 ILE HG21 H 1 0.873 0.000 . 2 . . . . A 55 ILE HG21 . 18629 1
109 . 1 1 55 55 ILE HG22 H 1 0.873 0.000 . 2 . . . . A 55 ILE HG22 . 18629 1
110 . 1 1 55 55 ILE HG23 H 1 0.873 0.000 . 2 . . . . A 55 ILE HG23 . 18629 1
111 . 1 1 55 55 ILE HD11 H 1 0.540 0.000 . 2 . . . . A 55 ILE HD11 . 18629 1
112 . 1 1 55 55 ILE HD12 H 1 0.540 0.000 . 2 . . . . A 55 ILE HD12 . 18629 1
113 . 1 1 55 55 ILE HD13 H 1 0.540 0.000 . 2 . . . . A 55 ILE HD13 . 18629 1
114 . 1 1 55 55 ILE CG2 C 13 19.361 0.000 . 1 . . . . A 55 ILE CG2 . 18629 1
115 . 1 1 55 55 ILE CD1 C 13 14.679 0.000 . 1 . . . . A 55 ILE CD1 . 18629 1
116 . 1 1 56 56 LEU HD11 H 1 0.604 0.000 . 2 . . . . A 56 LEU HD11 . 18629 1
117 . 1 1 56 56 LEU HD12 H 1 0.604 0.000 . 2 . . . . A 56 LEU HD12 . 18629 1
118 . 1 1 56 56 LEU HD13 H 1 0.604 0.000 . 2 . . . . A 56 LEU HD13 . 18629 1
119 . 1 1 56 56 LEU HD21 H 1 0.649 0.000 . 2 . . . . A 56 LEU HD21 . 18629 1
120 . 1 1 56 56 LEU HD22 H 1 0.649 0.000 . 2 . . . . A 56 LEU HD22 . 18629 1
121 . 1 1 56 56 LEU HD23 H 1 0.649 0.000 . 2 . . . . A 56 LEU HD23 . 18629 1
122 . 1 1 56 56 LEU CD1 C 13 25.728 0.000 . 1 . . . . A 56 LEU CD1 . 18629 1
123 . 1 1 56 56 LEU CD2 C 13 23.601 0.000 . 1 . . . . A 56 LEU CD2 . 18629 1
124 . 1 1 59 59 ALA HB1 H 1 1.469 0.000 . 2 . . . . A 59 ALA HB1 . 18629 1
125 . 1 1 59 59 ALA HB2 H 1 1.469 0.000 . 2 . . . . A 59 ALA HB2 . 18629 1
126 . 1 1 59 59 ALA HB3 H 1 1.469 0.000 . 2 . . . . A 59 ALA HB3 . 18629 1
127 . 1 1 59 59 ALA CB C 13 20.752 0.000 . 1 . . . . A 59 ALA CB . 18629 1
128 . 1 1 66 66 ALA HB1 H 1 1.480 0.000 . 2 . . . . A 66 ALA HB1 . 18629 1
129 . 1 1 66 66 ALA HB2 H 1 1.480 0.000 . 2 . . . . A 66 ALA HB2 . 18629 1
130 . 1 1 66 66 ALA HB3 H 1 1.480 0.000 . 2 . . . . A 66 ALA HB3 . 18629 1
131 . 1 1 66 66 ALA CB C 13 18.209 0.000 . 1 . . . . A 66 ALA CB . 18629 1
132 . 1 1 67 67 MET HE1 H 1 2.031 0.000 . 2 . . . . A 67 MET HE1 . 18629 1
133 . 1 1 67 67 MET HE2 H 1 2.031 0.000 . 2 . . . . A 67 MET HE2 . 18629 1
134 . 1 1 67 67 MET HE3 H 1 2.031 0.000 . 2 . . . . A 67 MET HE3 . 18629 1
135 . 1 1 67 67 MET CE C 13 16.864 0.000 . 1 . . . . A 67 MET CE . 18629 1
136 . 1 1 70 70 GLN HG2 H 1 2.361 0.000 . 2 . . . . A 70 GLN HG2 . 18629 1
137 . 1 1 70 70 GLN HG3 H 1 2.361 0.000 . 2 . . . . A 70 GLN HG3 . 18629 1
138 . 1 1 70 70 GLN CG C 13 33.530 0.000 . 1 . . . . A 70 GLN CG . 18629 1
139 . 1 1 71 71 TYR HD1 H 1 6.995 0.000 . 3 . . . . A 71 TYR HD1 . 18629 1
140 . 1 1 71 71 TYR HD2 H 1 6.995 0.000 . 3 . . . . A 71 TYR HD2 . 18629 1
141 . 1 1 71 71 TYR HE1 H 1 6.647 0.000 . 3 . . . . A 71 TYR HE1 . 18629 1
142 . 1 1 71 71 TYR HE2 H 1 6.647 0.000 . 3 . . . . A 71 TYR HE2 . 18629 1
143 . 1 1 72 72 MET HE1 H 1 2.062 0.000 . 2 . . . . A 72 MET HE1 . 18629 1
144 . 1 1 72 72 MET HE2 H 1 2.062 0.000 . 2 . . . . A 72 MET HE2 . 18629 1
145 . 1 1 72 72 MET HE3 H 1 2.062 0.000 . 2 . . . . A 72 MET HE3 . 18629 1
146 . 1 1 72 72 MET CE C 13 17.831 0.000 . 1 . . . . A 72 MET CE . 18629 1
147 . 1 1 74 74 THR HG21 H 1 1.280 0.000 . 2 . . . . A 74 THR HG21 . 18629 1
148 . 1 1 74 74 THR HG22 H 1 1.280 0.000 . 2 . . . . A 74 THR HG22 . 18629 1
149 . 1 1 74 74 THR HG23 H 1 1.280 0.000 . 2 . . . . A 74 THR HG23 . 18629 1
150 . 1 1 74 74 THR CG2 C 13 22.002 0.000 . 1 . . . . A 74 THR CG2 . 18629 1
151 . 1 1 79 79 LEU HD11 H 1 0.104 0.000 . 2 . . . . A 79 LEU HD11 . 18629 1
152 . 1 1 79 79 LEU HD12 H 1 0.104 0.000 . 2 . . . . A 79 LEU HD12 . 18629 1
153 . 1 1 79 79 LEU HD13 H 1 0.104 0.000 . 2 . . . . A 79 LEU HD13 . 18629 1
154 . 1 1 79 79 LEU HD21 H 1 0.127 0.000 . 2 . . . . A 79 LEU HD21 . 18629 1
155 . 1 1 79 79 LEU HD22 H 1 0.127 0.000 . 2 . . . . A 79 LEU HD22 . 18629 1
156 . 1 1 79 79 LEU HD23 H 1 0.127 0.000 . 2 . . . . A 79 LEU HD23 . 18629 1
157 . 1 1 79 79 LEU CD1 C 13 24.864 0.000 . 1 . . . . A 79 LEU CD1 . 18629 1
158 . 1 1 79 79 LEU CD2 C 13 25.557 0.000 . 1 . . . . A 79 LEU CD2 . 18629 1
159 . 1 1 81 81 VAL HG11 H 1 0.533 0.000 . 2 . . . . A 81 VAL HG11 . 18629 1
160 . 1 1 81 81 VAL HG12 H 1 0.533 0.000 . 2 . . . . A 81 VAL HG12 . 18629 1
161 . 1 1 81 81 VAL HG13 H 1 0.533 0.000 . 2 . . . . A 81 VAL HG13 . 18629 1
162 . 1 1 81 81 VAL CG1 C 13 22.770 0.000 . 1 . . . . A 81 VAL CG1 . 18629 1
163 . 1 1 83 83 ALA HB1 H 1 1.474 0.000 . 2 . . . . A 83 ALA HB1 . 18629 1
164 . 1 1 83 83 ALA HB2 H 1 1.474 0.000 . 2 . . . . A 83 ALA HB2 . 18629 1
165 . 1 1 83 83 ALA HB3 H 1 1.474 0.000 . 2 . . . . A 83 ALA HB3 . 18629 1
166 . 1 1 83 83 ALA CB C 13 21.736 0.000 . 1 . . . . A 83 ALA CB . 18629 1
167 . 1 1 84 84 ILE HG21 H 1 0.797 0.000 . 2 . . . . A 84 ILE HG21 . 18629 1
168 . 1 1 84 84 ILE HG22 H 1 0.797 0.000 . 2 . . . . A 84 ILE HG22 . 18629 1
169 . 1 1 84 84 ILE HG23 H 1 0.797 0.000 . 2 . . . . A 84 ILE HG23 . 18629 1
170 . 1 1 84 84 ILE HD11 H 1 0.775 0.000 . 2 . . . . A 84 ILE HD11 . 18629 1
171 . 1 1 84 84 ILE HD12 H 1 0.775 0.000 . 2 . . . . A 84 ILE HD12 . 18629 1
172 . 1 1 84 84 ILE HD13 H 1 0.775 0.000 . 2 . . . . A 84 ILE HD13 . 18629 1
173 . 1 1 84 84 ILE CG2 C 13 20.142 0.000 . 1 . . . . A 84 ILE CG2 . 18629 1
174 . 1 1 84 84 ILE CD1 C 13 15.250 0.000 . 1 . . . . A 84 ILE CD1 . 18629 1
175 . 1 1 87 87 THR HG21 H 1 1.305 0.000 . 2 . . . . A 87 THR HG21 . 18629 1
176 . 1 1 87 87 THR HG22 H 1 1.305 0.000 . 2 . . . . A 87 THR HG22 . 18629 1
177 . 1 1 87 87 THR HG23 H 1 1.305 0.000 . 2 . . . . A 87 THR HG23 . 18629 1
178 . 1 1 87 87 THR CG2 C 13 22.740 0.000 . 1 . . . . A 87 THR CG2 . 18629 1
179 . 1 1 93 93 ILE HG21 H 1 0.968 0.000 . 2 . . . . A 93 ILE HG21 . 18629 1
180 . 1 1 93 93 ILE HG22 H 1 0.968 0.000 . 2 . . . . A 93 ILE HG22 . 18629 1
181 . 1 1 93 93 ILE HG23 H 1 0.968 0.000 . 2 . . . . A 93 ILE HG23 . 18629 1
182 . 1 1 93 93 ILE HD11 H 1 0.797 0.000 . 2 . . . . A 93 ILE HD11 . 18629 1
183 . 1 1 93 93 ILE HD12 H 1 0.797 0.000 . 2 . . . . A 93 ILE HD12 . 18629 1
184 . 1 1 93 93 ILE HD13 H 1 0.797 0.000 . 2 . . . . A 93 ILE HD13 . 18629 1
185 . 1 1 93 93 ILE CG2 C 13 17.357 0.000 . 1 . . . . A 93 ILE CG2 . 18629 1
186 . 1 1 93 93 ILE CD1 C 13 9.138 0.000 . 1 . . . . A 93 ILE CD1 . 18629 1
187 . 1 1 100 100 ILE HG21 H 1 -0.105 0.000 . 2 . . . . A 100 ILE HG21 . 18629 1
188 . 1 1 100 100 ILE HG22 H 1 -0.105 0.000 . 2 . . . . A 100 ILE HG22 . 18629 1
189 . 1 1 100 100 ILE HG23 H 1 -0.105 0.000 . 2 . . . . A 100 ILE HG23 . 18629 1
190 . 1 1 100 100 ILE HD11 H 1 0.425 0.000 . 2 . . . . A 100 ILE HD11 . 18629 1
191 . 1 1 100 100 ILE HD12 H 1 0.425 0.000 . 2 . . . . A 100 ILE HD12 . 18629 1
192 . 1 1 100 100 ILE HD13 H 1 0.425 0.000 . 2 . . . . A 100 ILE HD13 . 18629 1
193 . 1 1 100 100 ILE CG2 C 13 17.745 0.000 . 1 . . . . A 100 ILE CG2 . 18629 1
194 . 1 1 100 100 ILE CD1 C 13 15.850 0.000 . 1 . . . . A 100 ILE CD1 . 18629 1
195 . 1 1 103 103 VAL HG11 H 1 0.995 0.000 . 2 . . . . A 103 VAL HG11 . 18629 1
196 . 1 1 103 103 VAL HG12 H 1 0.995 0.000 . 2 . . . . A 103 VAL HG12 . 18629 1
197 . 1 1 103 103 VAL HG13 H 1 0.995 0.000 . 2 . . . . A 103 VAL HG13 . 18629 1
198 . 1 1 103 103 VAL CG1 C 13 21.700 0.000 . 1 . . . . A 103 VAL CG1 . 18629 1
199 . 1 1 109 109 VAL HG11 H 1 0.755 0.000 . 2 . . . . A 109 VAL HG11 . 18629 1
200 . 1 1 109 109 VAL HG12 H 1 0.755 0.000 . 2 . . . . A 109 VAL HG12 . 18629 1
201 . 1 1 109 109 VAL HG13 H 1 0.755 0.000 . 2 . . . . A 109 VAL HG13 . 18629 1
202 . 1 1 109 109 VAL HG21 H 1 0.985 0.000 . 2 . . . . A 109 VAL HG21 . 18629 1
203 . 1 1 109 109 VAL HG22 H 1 0.985 0.000 . 2 . . . . A 109 VAL HG22 . 18629 1
204 . 1 1 109 109 VAL HG23 H 1 0.985 0.000 . 2 . . . . A 109 VAL HG23 . 18629 1
205 . 1 1 109 109 VAL CG1 C 13 21.286 0.000 . 1 . . . . A 109 VAL CG1 . 18629 1
206 . 1 1 109 109 VAL CG2 C 13 21.109 0.000 . 1 . . . . A 109 VAL CG2 . 18629 1
207 . 1 1 111 111 MET HE1 H 1 1.847 0.000 . 2 . . . . A 111 MET HE1 . 18629 1
208 . 1 1 111 111 MET HE2 H 1 1.847 0.000 . 2 . . . . A 111 MET HE2 . 18629 1
209 . 1 1 111 111 MET HE3 H 1 1.847 0.000 . 2 . . . . A 111 MET HE3 . 18629 1
210 . 1 1 111 111 MET CE C 13 17.254 0.000 . 1 . . . . A 111 MET CE . 18629 1
211 . 1 1 112 112 VAL HG11 H 1 0.748 0.000 . 2 . . . . A 112 VAL HG11 . 18629 1
212 . 1 1 112 112 VAL HG12 H 1 0.748 0.000 . 2 . . . . A 112 VAL HG12 . 18629 1
213 . 1 1 112 112 VAL HG13 H 1 0.748 0.000 . 2 . . . . A 112 VAL HG13 . 18629 1
214 . 1 1 112 112 VAL HG21 H 1 0.785 0.000 . 2 . . . . A 112 VAL HG21 . 18629 1
215 . 1 1 112 112 VAL HG22 H 1 0.785 0.000 . 2 . . . . A 112 VAL HG22 . 18629 1
216 . 1 1 112 112 VAL HG23 H 1 0.785 0.000 . 2 . . . . A 112 VAL HG23 . 18629 1
217 . 1 1 112 112 VAL CG1 C 13 21.808 0.000 . 1 . . . . A 112 VAL CG1 . 18629 1
218 . 1 1 112 112 VAL CG2 C 13 22.493 0.000 . 1 . . . . A 112 VAL CG2 . 18629 1
219 . 1 1 113 113 LEU HD11 H 1 1.096 0.000 . 2 . . . . A 113 LEU HD11 . 18629 1
220 . 1 1 113 113 LEU HD12 H 1 1.096 0.000 . 2 . . . . A 113 LEU HD12 . 18629 1
221 . 1 1 113 113 LEU HD13 H 1 1.096 0.000 . 2 . . . . A 113 LEU HD13 . 18629 1
222 . 1 1 113 113 LEU HD21 H 1 1.386 0.000 . 2 . . . . A 113 LEU HD21 . 18629 1
223 . 1 1 113 113 LEU HD22 H 1 1.386 0.000 . 2 . . . . A 113 LEU HD22 . 18629 1
224 . 1 1 113 113 LEU HD23 H 1 1.386 0.000 . 2 . . . . A 113 LEU HD23 . 18629 1
225 . 1 1 113 113 LEU CD1 C 13 27.674 0.000 . 1 . . . . A 113 LEU CD1 . 18629 1
226 . 1 1 113 113 LEU CD2 C 13 25.368 0.000 . 1 . . . . A 113 LEU CD2 . 18629 1
227 . 1 1 114 114 VAL HG11 H 1 0.607 0.000 . 2 . . . . A 114 VAL HG11 . 18629 1
228 . 1 1 114 114 VAL HG12 H 1 0.607 0.000 . 2 . . . . A 114 VAL HG12 . 18629 1
229 . 1 1 114 114 VAL HG13 H 1 0.607 0.000 . 2 . . . . A 114 VAL HG13 . 18629 1
230 . 1 1 114 114 VAL HG21 H 1 0.692 0.000 . 2 . . . . A 114 VAL HG21 . 18629 1
231 . 1 1 114 114 VAL HG22 H 1 0.692 0.000 . 2 . . . . A 114 VAL HG22 . 18629 1
232 . 1 1 114 114 VAL HG23 H 1 0.692 0.000 . 2 . . . . A 114 VAL HG23 . 18629 1
233 . 1 1 114 114 VAL CG1 C 13 23.147 0.000 . 1 . . . . A 114 VAL CG1 . 18629 1
234 . 1 1 114 114 VAL CG2 C 13 23.355 0.000 . 1 . . . . A 114 VAL CG2 . 18629 1
235 . 1 1 120 120 LEU HD11 H 1 0.836 0.000 . 2 . . . . A 120 LEU HD11 . 18629 1
236 . 1 1 120 120 LEU HD12 H 1 0.836 0.000 . 2 . . . . A 120 LEU HD12 . 18629 1
237 . 1 1 120 120 LEU HD13 H 1 0.836 0.000 . 2 . . . . A 120 LEU HD13 . 18629 1
238 . 1 1 120 120 LEU CD1 C 13 22.310 0.000 . 1 . . . . A 120 LEU CD1 . 18629 1
239 . 1 1 121 121 ALA HB1 H 1 1.434 0.000 . 2 . . . . A 121 ALA HB1 . 18629 1
240 . 1 1 121 121 ALA HB2 H 1 1.434 0.000 . 2 . . . . A 121 ALA HB2 . 18629 1
241 . 1 1 121 121 ALA HB3 H 1 1.434 0.000 . 2 . . . . A 121 ALA HB3 . 18629 1
242 . 1 1 121 121 ALA CB C 13 19.105 0.000 . 1 . . . . A 121 ALA CB . 18629 1
243 . 1 1 122 122 ALA HB1 H 1 1.319 0.000 . 2 . . . . A 122 ALA HB1 . 18629 1
244 . 1 1 122 122 ALA HB2 H 1 1.319 0.000 . 2 . . . . A 122 ALA HB2 . 18629 1
245 . 1 1 122 122 ALA HB3 H 1 1.319 0.000 . 2 . . . . A 122 ALA HB3 . 18629 1
246 . 1 1 122 122 ALA CB C 13 17.275 0.000 . 1 . . . . A 122 ALA CB . 18629 1
247 . 1 1 125 125 VAL HG11 H 1 -0.145 0.000 . 2 . . . . A 125 VAL HG11 . 18629 1
248 . 1 1 125 125 VAL HG12 H 1 -0.145 0.000 . 2 . . . . A 125 VAL HG12 . 18629 1
249 . 1 1 125 125 VAL HG13 H 1 -0.145 0.000 . 2 . . . . A 125 VAL HG13 . 18629 1
250 . 1 1 125 125 VAL CG1 C 13 19.113 0.000 . 1 . . . . A 125 VAL CG1 . 18629 1
251 . 1 1 130 130 ALA HB1 H 1 0.861 0.000 . 2 . . . . A 130 ALA HB1 . 18629 1
252 . 1 1 130 130 ALA HB2 H 1 0.861 0.000 . 2 . . . . A 130 ALA HB2 . 18629 1
253 . 1 1 130 130 ALA HB3 H 1 0.861 0.000 . 2 . . . . A 130 ALA HB3 . 18629 1
254 . 1 1 130 130 ALA CB C 13 18.613 0.000 . 1 . . . . A 130 ALA CB . 18629 1
255 . 1 1 133 133 LEU HD11 H 1 0.470 0.000 . 2 . . . . A 133 LEU HD11 . 18629 1
256 . 1 1 133 133 LEU HD12 H 1 0.470 0.000 . 2 . . . . A 133 LEU HD12 . 18629 1
257 . 1 1 133 133 LEU HD13 H 1 0.470 0.000 . 2 . . . . A 133 LEU HD13 . 18629 1
258 . 1 1 133 133 LEU HD21 H 1 0.502 0.000 . 2 . . . . A 133 LEU HD21 . 18629 1
259 . 1 1 133 133 LEU HD22 H 1 0.502 0.000 . 2 . . . . A 133 LEU HD22 . 18629 1
260 . 1 1 133 133 LEU HD23 H 1 0.502 0.000 . 2 . . . . A 133 LEU HD23 . 18629 1
261 . 1 1 133 133 LEU CD1 C 13 26.145 0.000 . 1 . . . . A 133 LEU CD1 . 18629 1
262 . 1 1 133 133 LEU CD2 C 13 22.860 0.000 . 1 . . . . A 133 LEU CD2 . 18629 1
263 . 1 1 134 134 ALA HB1 H 1 1.724 0.000 . 2 . . . . A 134 ALA HB1 . 18629 1
264 . 1 1 134 134 ALA HB2 H 1 1.724 0.000 . 2 . . . . A 134 ALA HB2 . 18629 1
265 . 1 1 134 134 ALA HB3 H 1 1.724 0.000 . 2 . . . . A 134 ALA HB3 . 18629 1
266 . 1 1 134 134 ALA CB C 13 18.088 0.000 . 1 . . . . A 134 ALA CB . 18629 1
267 . 1 1 139 139 ILE HD11 H 1 0.888 0.000 . 2 . . . . A 139 ILE HD11 . 18629 1
268 . 1 1 139 139 ILE HD12 H 1 0.888 0.000 . 2 . . . . A 139 ILE HD12 . 18629 1
269 . 1 1 139 139 ILE HD13 H 1 0.888 0.000 . 2 . . . . A 139 ILE HD13 . 18629 1
270 . 1 1 139 139 ILE CD1 C 13 15.271 0.000 . 1 . . . . A 139 ILE CD1 . 18629 1
271 . 1 1 142 142 ILE HG21 H 1 0.675 0.000 . 2 . . . . A 142 ILE HG21 . 18629 1
272 . 1 1 142 142 ILE HG22 H 1 0.675 0.000 . 2 . . . . A 142 ILE HG22 . 18629 1
273 . 1 1 142 142 ILE HG23 H 1 0.675 0.000 . 2 . . . . A 142 ILE HG23 . 18629 1
274 . 1 1 142 142 ILE HD11 H 1 0.718 0.000 . 2 . . . . A 142 ILE HD11 . 18629 1
275 . 1 1 142 142 ILE HD12 H 1 0.718 0.000 . 2 . . . . A 142 ILE HD12 . 18629 1
276 . 1 1 142 142 ILE HD13 H 1 0.718 0.000 . 2 . . . . A 142 ILE HD13 . 18629 1
277 . 1 1 142 142 ILE CG2 C 13 17.724 0.000 . 1 . . . . A 142 ILE CG2 . 18629 1
278 . 1 1 142 142 ILE CD1 C 13 13.844 0.000 . 1 . . . . A 142 ILE CD1 . 18629 1
279 . 1 1 146 146 ALA HB1 H 1 1.559 0.000 . 2 . . . . A 146 ALA HB1 . 18629 1
280 . 1 1 146 146 ALA HB2 H 1 1.559 0.000 . 2 . . . . A 146 ALA HB2 . 18629 1
281 . 1 1 146 146 ALA HB3 H 1 1.559 0.000 . 2 . . . . A 146 ALA HB3 . 18629 1
282 . 1 1 146 146 ALA CB C 13 18.722 0.000 . 1 . . . . A 146 ALA CB . 18629 1
283 . 1 1 148 148 THR HG21 H 1 1.046 0.000 . 2 . . . . A 148 THR HG21 . 18629 1
284 . 1 1 148 148 THR HG22 H 1 1.046 0.000 . 2 . . . . A 148 THR HG22 . 18629 1
285 . 1 1 148 148 THR HG23 H 1 1.046 0.000 . 2 . . . . A 148 THR HG23 . 18629 1
286 . 1 1 148 148 THR CG2 C 13 21.022 0.000 . 1 . . . . A 148 THR CG2 . 18629 1
287 . 1 1 155 155 ALA HB1 H 1 1.099 0.000 . 2 . . . . A 155 ALA HB1 . 18629 1
288 . 1 1 155 155 ALA HB2 H 1 1.099 0.000 . 2 . . . . A 155 ALA HB2 . 18629 1
289 . 1 1 155 155 ALA HB3 H 1 1.099 0.000 . 2 . . . . A 155 ALA HB3 . 18629 1
290 . 1 1 155 155 ALA CB C 13 17.352 0.000 . 1 . . . . A 155 ALA CB . 18629 1
291 . 1 1 158 158 THR HG21 H 1 1.190 0.000 . 2 . . . . A 158 THR HG21 . 18629 1
292 . 1 1 158 158 THR HG22 H 1 1.190 0.000 . 2 . . . . A 158 THR HG22 . 18629 1
293 . 1 1 158 158 THR HG23 H 1 1.190 0.000 . 2 . . . . A 158 THR HG23 . 18629 1
294 . 1 1 158 158 THR CG2 C 13 21.396 0.000 . 1 . . . . A 158 THR CG2 . 18629 1
295 . 1 1 160 160 VAL HG11 H 1 0.064 0.000 . 2 . . . . A 160 VAL HG11 . 18629 1
296 . 1 1 160 160 VAL HG12 H 1 0.064 0.000 . 2 . . . . A 160 VAL HG12 . 18629 1
297 . 1 1 160 160 VAL HG13 H 1 0.064 0.000 . 2 . . . . A 160 VAL HG13 . 18629 1
298 . 1 1 160 160 VAL HG21 H 1 0.713 0.000 . 2 . . . . A 160 VAL HG21 . 18629 1
299 . 1 1 160 160 VAL HG22 H 1 0.713 0.000 . 2 . . . . A 160 VAL HG22 . 18629 1
300 . 1 1 160 160 VAL HG23 H 1 0.713 0.000 . 2 . . . . A 160 VAL HG23 . 18629 1
301 . 1 1 160 160 VAL CG1 C 13 19.916 0.000 . 1 . . . . A 160 VAL CG1 . 18629 1
302 . 1 1 160 160 VAL CG2 C 13 23.731 0.000 . 1 . . . . A 160 VAL CG2 . 18629 1
303 . 1 1 163 163 ILE HG21 H 1 1.071 0.000 . 2 . . . . A 163 ILE HG21 . 18629 1
304 . 1 1 163 163 ILE HG22 H 1 1.071 0.000 . 2 . . . . A 163 ILE HG22 . 18629 1
305 . 1 1 163 163 ILE HG23 H 1 1.071 0.000 . 2 . . . . A 163 ILE HG23 . 18629 1
306 . 1 1 163 163 ILE HD11 H 1 0.631 0.000 . 2 . . . . A 163 ILE HD11 . 18629 1
307 . 1 1 163 163 ILE HD12 H 1 0.631 0.000 . 2 . . . . A 163 ILE HD12 . 18629 1
308 . 1 1 163 163 ILE HD13 H 1 0.631 0.000 . 2 . . . . A 163 ILE HD13 . 18629 1
309 . 1 1 163 163 ILE CG2 C 13 17.926 0.000 . 1 . . . . A 163 ILE CG2 . 18629 1
310 . 1 1 163 163 ILE CD1 C 13 15.634 0.000 . 1 . . . . A 163 ILE CD1 . 18629 1
311 . 2 2 1 1 KOB H1 H 1 7.102 0.008 . 1 . . . . A 203 KOB H1 . 18629 1
312 . 2 2 1 1 KOB H2 H 1 7.542 0.004 . 1 . . . . A 203 KOB H2 . 18629 1
313 . 2 2 1 1 KOB H3 H 1 7.327 0.001 . 1 . . . . A 203 KOB H3 . 18629 1
314 . 2 2 1 1 KOB H4 H 1 7.982 0.003 . 1 . . . . A 203 KOB H4 . 18629 1
315 . 2 2 1 1 KOB H5 H 1 8.919 0.000 . 1 . . . . A 203 KOB H5 . 18629 1
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