Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50284
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'P-complex 13C-HSCQ'
_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 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_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' . . . 50284 1
12 '2D 1H-13C HSQC aliphatic' . . . 50284 1
13 '3D HNCACB' . . . 50284 1
14 '3D CBCA(CO)NH' . . . 50284 1
15 '3D HCCH-TOCSY' . . . 50284 1
24 '3D CCH-TOCSY' . . . 50284 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 $software_1 . . 50284 1
3 $software_3 . . 50284 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 2 2 LEU HD11 H 1 0.2233909 . . . . . . . . 114 LEU HD1 . 50284 1
2 . 1 . 1 2 2 LEU HD12 H 1 0.2233909 . . . . . . . . 114 LEU HD1 . 50284 1
3 . 1 . 1 2 2 LEU HD13 H 1 0.2233909 . . . . . . . . 114 LEU HD1 . 50284 1
4 . 1 . 1 2 2 LEU HD21 H 1 0.6920571 . . . . . . . . 114 LEU HD2 . 50284 1
5 . 1 . 1 2 2 LEU HD22 H 1 0.6920571 . . . . . . . . 114 LEU HD2 . 50284 1
6 . 1 . 1 2 2 LEU HD23 H 1 0.6920571 . . . . . . . . 114 LEU HD2 . 50284 1
7 . 1 . 1 2 2 LEU CD1 C 13 23.6937900 . . . . . . . . 114 LEU CD1 . 50284 1
8 . 1 . 1 2 2 LEU CD2 C 13 21.9760400 . . . . . . . . 114 LEU CD2 . 50284 1
9 . 1 . 1 3 3 ILE HG21 H 1 0.9441638 . . . . . . . . 115 ILE HG2 . 50284 1
10 . 1 . 1 3 3 ILE HG22 H 1 0.9441638 . . . . . . . . 115 ILE HG2 . 50284 1
11 . 1 . 1 3 3 ILE HG23 H 1 0.9441638 . . . . . . . . 115 ILE HG2 . 50284 1
12 . 1 . 1 3 3 ILE HD11 H 1 0.9132430 . . . . . . . . 115 ILE HD1 . 50284 1
13 . 1 . 1 3 3 ILE HD12 H 1 0.9132430 . . . . . . . . 115 ILE HD1 . 50284 1
14 . 1 . 1 3 3 ILE HD13 H 1 0.9132430 . . . . . . . . 115 ILE HD1 . 50284 1
15 . 1 . 1 3 3 ILE CG2 C 13 17.2972300 . . . . . . . . 115 ILE CG2 . 50284 1
16 . 1 . 1 3 3 ILE CD1 C 13 12.2945400 . . . . . . . . 115 ILE CD1 . 50284 1
17 . 1 . 1 4 4 VAL HG11 H 1 1.0813250 . . . . . . . . 116 VAL HG1 . 50284 1
18 . 1 . 1 4 4 VAL HG12 H 1 1.0813250 . . . . . . . . 116 VAL HG1 . 50284 1
19 . 1 . 1 4 4 VAL HG13 H 1 1.0813250 . . . . . . . . 116 VAL HG1 . 50284 1
20 . 1 . 1 4 4 VAL HG21 H 1 1.1752730 . . . . . . . . 116 VAL HG2 . 50284 1
21 . 1 . 1 4 4 VAL HG22 H 1 1.1752730 . . . . . . . . 116 VAL HG2 . 50284 1
22 . 1 . 1 4 4 VAL HG23 H 1 1.1752730 . . . . . . . . 116 VAL HG2 . 50284 1
23 . 1 . 1 4 4 VAL CG1 C 13 21.8817500 . . . . . . . . 116 VAL CG1 . 50284 1
24 . 1 . 1 4 4 VAL CG2 C 13 21.2931400 . . . . . . . . 116 VAL CG2 . 50284 1
25 . 1 . 1 8 8 LEU HD11 H 1 0.8271370 . . . . . . . . 120 LEU HD1 . 50284 1
26 . 1 . 1 8 8 LEU HD12 H 1 0.8271370 . . . . . . . . 120 LEU HD1 . 50284 1
27 . 1 . 1 8 8 LEU HD13 H 1 0.8271370 . . . . . . . . 120 LEU HD1 . 50284 1
28 . 1 . 1 8 8 LEU HD21 H 1 1.1849010 . . . . . . . . 120 LEU HD2 . 50284 1
29 . 1 . 1 8 8 LEU HD22 H 1 1.1849010 . . . . . . . . 120 LEU HD2 . 50284 1
30 . 1 . 1 8 8 LEU HD23 H 1 1.1849010 . . . . . . . . 120 LEU HD2 . 50284 1
31 . 1 . 1 8 8 LEU CD1 C 13 26.4345500 . . . . . . . . 120 LEU CD1 . 50284 1
32 . 1 . 1 8 8 LEU CD2 C 13 24.0657900 . . . . . . . . 120 LEU CD2 . 50284 1
33 . 1 . 1 10 10 LEU HD11 H 1 0.5047494 . . . . . . . . 122 LEU HD1 . 50284 1
34 . 1 . 1 10 10 LEU HD12 H 1 0.5047494 . . . . . . . . 122 LEU HD1 . 50284 1
35 . 1 . 1 10 10 LEU HD13 H 1 0.5047494 . . . . . . . . 122 LEU HD1 . 50284 1
36 . 1 . 1 10 10 LEU HD21 H 1 0.6997718 . . . . . . . . 122 LEU HD2 . 50284 1
37 . 1 . 1 10 10 LEU HD22 H 1 0.6997718 . . . . . . . . 122 LEU HD2 . 50284 1
38 . 1 . 1 10 10 LEU HD23 H 1 0.6997718 . . . . . . . . 122 LEU HD2 . 50284 1
39 . 1 . 1 10 10 LEU CD1 C 13 23.1720200 . . . . . . . . 122 LEU CD1 . 50284 1
40 . 1 . 1 10 10 LEU CD2 C 13 26.1198200 . . . . . . . . 122 LEU CD2 . 50284 1
41 . 1 . 1 14 14 VAL HG11 H 1 0.9778151 . . . . . . . . 126 VAL HG1 . 50284 1
42 . 1 . 1 14 14 VAL HG12 H 1 0.9778151 . . . . . . . . 126 VAL HG1 . 50284 1
43 . 1 . 1 14 14 VAL HG13 H 1 0.9778151 . . . . . . . . 126 VAL HG1 . 50284 1
44 . 1 . 1 14 14 VAL HG21 H 1 0.9921709 . . . . . . . . 126 VAL HG2 . 50284 1
45 . 1 . 1 14 14 VAL HG22 H 1 0.9921709 . . . . . . . . 126 VAL HG2 . 50284 1
46 . 1 . 1 14 14 VAL HG23 H 1 0.9921709 . . . . . . . . 126 VAL HG2 . 50284 1
47 . 1 . 1 14 14 VAL CG1 C 13 22.1239800 . . . . . . . . 126 VAL CG1 . 50284 1
48 . 1 . 1 14 14 VAL CG2 C 13 23.5108300 . . . . . . . . 126 VAL CG2 . 50284 1
49 . 1 . 1 15 15 VAL HG11 H 1 0.7894360 . . . . . . . . 127 VAL HG1 . 50284 1
50 . 1 . 1 15 15 VAL HG12 H 1 0.7894360 . . . . . . . . 127 VAL HG1 . 50284 1
51 . 1 . 1 15 15 VAL HG13 H 1 0.7894360 . . . . . . . . 127 VAL HG1 . 50284 1
52 . 1 . 1 15 15 VAL HG21 H 1 0.8747921 . . . . . . . . 127 VAL HG2 . 50284 1
53 . 1 . 1 15 15 VAL HG22 H 1 0.8747921 . . . . . . . . 127 VAL HG2 . 50284 1
54 . 1 . 1 15 15 VAL HG23 H 1 0.8747921 . . . . . . . . 127 VAL HG2 . 50284 1
55 . 1 . 1 15 15 VAL CG1 C 13 19.4763800 . . . . . . . . 127 VAL CG1 . 50284 1
56 . 1 . 1 15 15 VAL CG2 C 13 21.0742800 . . . . . . . . 127 VAL CG2 . 50284 1
57 . 1 . 1 18 18 MET HE1 H 1 1.7363390 . . . . . . . . 130 MET HE . 50284 1
58 . 1 . 1 18 18 MET HE2 H 1 1.7363390 . . . . . . . . 130 MET HE . 50284 1
59 . 1 . 1 18 18 MET HE3 H 1 1.7363390 . . . . . . . . 130 MET HE . 50284 1
60 . 1 . 1 18 18 MET CE C 13 17.3386700 . . . . . . . . 130 MET CE . 50284 1
61 . 1 . 1 19 19 LEU HD11 H 1 0.7835548 . . . . . . . . 131 LEU HD1 . 50284 1
62 . 1 . 1 19 19 LEU HD12 H 1 0.7835548 . . . . . . . . 131 LEU HD1 . 50284 1
63 . 1 . 1 19 19 LEU HD13 H 1 0.7835548 . . . . . . . . 131 LEU HD1 . 50284 1
64 . 1 . 1 19 19 LEU HD21 H 1 0.8127212 . . . . . . . . 131 LEU HD2 . 50284 1
65 . 1 . 1 19 19 LEU HD22 H 1 0.8127212 . . . . . . . . 131 LEU HD2 . 50284 1
66 . 1 . 1 19 19 LEU HD23 H 1 0.8127212 . . . . . . . . 131 LEU HD2 . 50284 1
67 . 1 . 1 19 19 LEU CD1 C 13 25.9145400 . . . . . . . . 131 LEU CD1 . 50284 1
68 . 1 . 1 19 19 LEU CD2 C 13 23.7334500 . . . . . . . . 131 LEU CD2 . 50284 1
69 . 1 . 1 20 20 ILE HG21 H 1 0.8843624 . . . . . . . . 132 ILE HG2 . 50284 1
70 . 1 . 1 20 20 ILE HG22 H 1 0.8843624 . . . . . . . . 132 ILE HG2 . 50284 1
71 . 1 . 1 20 20 ILE HG23 H 1 0.8843624 . . . . . . . . 132 ILE HG2 . 50284 1
72 . 1 . 1 20 20 ILE HD11 H 1 1.1581990 . . . . . . . . 132 ILE HD1 . 50284 1
73 . 1 . 1 20 20 ILE HD12 H 1 1.1581990 . . . . . . . . 132 ILE HD1 . 50284 1
74 . 1 . 1 20 20 ILE HD13 H 1 1.1581990 . . . . . . . . 132 ILE HD1 . 50284 1
75 . 1 . 1 20 20 ILE CG2 C 13 17.6930000 . . . . . . . . 132 ILE CG2 . 50284 1
76 . 1 . 1 20 20 ILE CD1 C 13 15.1596100 . . . . . . . . 132 ILE CD1 . 50284 1
77 . 1 . 1 21 21 THR HG21 H 1 1.0713370 . . . . . . . . 133 THR HG2 . 50284 1
78 . 1 . 1 21 21 THR HG22 H 1 1.0713370 . . . . . . . . 133 THR HG2 . 50284 1
79 . 1 . 1 21 21 THR HG23 H 1 1.0713370 . . . . . . . . 133 THR HG2 . 50284 1
80 . 1 . 1 21 21 THR CG2 C 13 21.0628700 . . . . . . . . 133 THR CG2 . 50284 1
81 . 1 . 1 22 22 ILE HG21 H 1 0.9751888 . . . . . . . . 134 ILE HG2 . 50284 1
82 . 1 . 1 22 22 ILE HG22 H 1 0.9751888 . . . . . . . . 134 ILE HG2 . 50284 1
83 . 1 . 1 22 22 ILE HG23 H 1 0.9751888 . . . . . . . . 134 ILE HG2 . 50284 1
84 . 1 . 1 22 22 ILE HD11 H 1 0.7770864 . . . . . . . . 134 ILE HD1 . 50284 1
85 . 1 . 1 22 22 ILE HD12 H 1 0.7770864 . . . . . . . . 134 ILE HD1 . 50284 1
86 . 1 . 1 22 22 ILE HD13 H 1 0.7770864 . . . . . . . . 134 ILE HD1 . 50284 1
87 . 1 . 1 22 22 ILE CG2 C 13 18.4847300 . . . . . . . . 134 ILE CG2 . 50284 1
88 . 1 . 1 22 22 ILE CD1 C 13 14.3960800 . . . . . . . . 134 ILE CD1 . 50284 1
89 . 1 . 1 23 23 LEU HD11 H 1 0.7898547 . . . . . . . . 135 LEU HD1 . 50284 1
90 . 1 . 1 23 23 LEU HD12 H 1 0.7898547 . . . . . . . . 135 LEU HD1 . 50284 1
91 . 1 . 1 23 23 LEU HD13 H 1 0.7898547 . . . . . . . . 135 LEU HD1 . 50284 1
92 . 1 . 1 23 23 LEU HD21 H 1 0.8637573 . . . . . . . . 135 LEU HD2 . 50284 1
93 . 1 . 1 23 23 LEU HD22 H 1 0.8637573 . . . . . . . . 135 LEU HD2 . 50284 1
94 . 1 . 1 23 23 LEU HD23 H 1 0.8637573 . . . . . . . . 135 LEU HD2 . 50284 1
95 . 1 . 1 23 23 LEU CD1 C 13 24.7678400 . . . . . . . . 135 LEU CD1 . 50284 1
96 . 1 . 1 23 23 LEU CD2 C 13 23.7855500 . . . . . . . . 135 LEU CD2 . 50284 1
97 . 1 . 1 25 25 THR HG21 H 1 0.9569541 . . . . . . . . 137 THR HG2 . 50284 1
98 . 1 . 1 25 25 THR HG22 H 1 0.9569541 . . . . . . . . 137 THR HG2 . 50284 1
99 . 1 . 1 25 25 THR HG23 H 1 0.9569541 . . . . . . . . 137 THR HG2 . 50284 1
100 . 1 . 1 25 25 THR CG2 C 13 21.3084100 . . . . . . . . 137 THR CG2 . 50284 1
101 . 1 . 1 26 26 VAL HG11 H 1 1.0570170 . . . . . . . . 138 VAL HG1 . 50284 1
102 . 1 . 1 26 26 VAL HG12 H 1 1.0570170 . . . . . . . . 138 VAL HG1 . 50284 1
103 . 1 . 1 26 26 VAL HG13 H 1 1.0570170 . . . . . . . . 138 VAL HG1 . 50284 1
104 . 1 . 1 26 26 VAL HG21 H 1 1.2570190 . . . . . . . . 138 VAL HG2 . 50284 1
105 . 1 . 1 26 26 VAL HG22 H 1 1.2570190 . . . . . . . . 138 VAL HG2 . 50284 1
106 . 1 . 1 26 26 VAL HG23 H 1 1.2570190 . . . . . . . . 138 VAL HG2 . 50284 1
107 . 1 . 1 26 26 VAL CG1 C 13 23.9143200 . . . . . . . . 138 VAL CG1 . 50284 1
108 . 1 . 1 26 26 VAL CG2 C 13 24.2372200 . . . . . . . . 138 VAL CG2 . 50284 1
109 . 1 . 1 30 30 ALA HB1 H 1 0.5530279 . . . . . . . . 142 ALA HB . 50284 1
110 . 1 . 1 30 30 ALA HB2 H 1 0.5530279 . . . . . . . . 142 ALA HB . 50284 1
111 . 1 . 1 30 30 ALA HB3 H 1 0.5530279 . . . . . . . . 142 ALA HB . 50284 1
112 . 1 . 1 30 30 ALA CB C 13 19.8973100 . . . . . . . . 142 ALA CB . 50284 1
113 . 1 . 1 33 33 ILE HG21 H 1 0.5478448 . . . . . . . . 145 ILE HG2 . 50284 1
114 . 1 . 1 33 33 ILE HG22 H 1 0.5478448 . . . . . . . . 145 ILE HG2 . 50284 1
115 . 1 . 1 33 33 ILE HG23 H 1 0.5478448 . . . . . . . . 145 ILE HG2 . 50284 1
116 . 1 . 1 33 33 ILE HD11 H 1 -0.0442266 . . . . . . . . 145 ILE HD1 . 50284 1
117 . 1 . 1 33 33 ILE HD12 H 1 -0.0442266 . . . . . . . . 145 ILE HD1 . 50284 1
118 . 1 . 1 33 33 ILE HD13 H 1 -0.0442266 . . . . . . . . 145 ILE HD1 . 50284 1
119 . 1 . 1 33 33 ILE CG2 C 13 14.9835000 . . . . . . . . 145 ILE CG2 . 50284 1
120 . 1 . 1 33 33 ILE CD1 C 13 13.2344300 . . . . . . . . 145 ILE CD1 . 50284 1
121 . 1 . 1 34 34 ALA HB1 H 1 0.5307367 . . . . . . . . 146 ALA HB . 50284 1
122 . 1 . 1 34 34 ALA HB2 H 1 0.5307367 . . . . . . . . 146 ALA HB . 50284 1
123 . 1 . 1 34 34 ALA HB3 H 1 0.5307367 . . . . . . . . 146 ALA HB . 50284 1
124 . 1 . 1 34 34 ALA CB C 13 21.4164200 . . . . . . . . 146 ALA CB . 50284 1
125 . 1 . 1 35 35 LEU HD11 H 1 0.6067462 . . . . . . . . 147 LEU HD1 . 50284 1
126 . 1 . 1 35 35 LEU HD12 H 1 0.6067462 . . . . . . . . 147 LEU HD1 . 50284 1
127 . 1 . 1 35 35 LEU HD13 H 1 0.6067462 . . . . . . . . 147 LEU HD1 . 50284 1
128 . 1 . 1 35 35 LEU HD21 H 1 0.6862704 . . . . . . . . 147 LEU HD2 . 50284 1
129 . 1 . 1 35 35 LEU HD22 H 1 0.6862704 . . . . . . . . 147 LEU HD2 . 50284 1
130 . 1 . 1 35 35 LEU HD23 H 1 0.6862704 . . . . . . . . 147 LEU HD2 . 50284 1
131 . 1 . 1 35 35 LEU CD1 C 13 23.6521200 . . . . . . . . 147 LEU CD1 . 50284 1
132 . 1 . 1 35 35 LEU CD2 C 13 25.0051600 . . . . . . . . 147 LEU CD2 . 50284 1
133 . 1 . 1 43 43 VAL HG11 H 1 0.7190432 . . . . . . . . 155 VAL HG1 . 50284 1
134 . 1 . 1 43 43 VAL HG12 H 1 0.7190432 . . . . . . . . 155 VAL HG1 . 50284 1
135 . 1 . 1 43 43 VAL HG13 H 1 0.7190432 . . . . . . . . 155 VAL HG1 . 50284 1
136 . 1 . 1 43 43 VAL HG21 H 1 1.1012570 . . . . . . . . 155 VAL HG2 . 50284 1
137 . 1 . 1 43 43 VAL HG22 H 1 1.1012570 . . . . . . . . 155 VAL HG2 . 50284 1
138 . 1 . 1 43 43 VAL HG23 H 1 1.1012570 . . . . . . . . 155 VAL HG2 . 50284 1
139 . 1 . 1 43 43 VAL CG1 C 13 19.8323900 . . . . . . . . 155 VAL CG1 . 50284 1
140 . 1 . 1 43 43 VAL CG2 C 13 22.3982400 . . . . . . . . 155 VAL CG2 . 50284 1
141 . 1 . 1 44 44 ALA HB1 H 1 1.5149540 . . . . . . . . 156 ALA HB . 50284 1
142 . 1 . 1 44 44 ALA HB2 H 1 1.5149540 . . . . . . . . 156 ALA HB . 50284 1
143 . 1 . 1 44 44 ALA HB3 H 1 1.5149540 . . . . . . . . 156 ALA HB . 50284 1
144 . 1 . 1 44 44 ALA CB C 13 19.1251900 . . . . . . . . 156 ALA CB . 50284 1
145 . 1 . 1 58 58 VAL HG11 H 1 0.7067266 . . . . . . . . 170 VAL HG1 . 50284 1
146 . 1 . 1 58 58 VAL HG12 H 1 0.7067266 . . . . . . . . 170 VAL HG1 . 50284 1
147 . 1 . 1 58 58 VAL HG13 H 1 0.7067266 . . . . . . . . 170 VAL HG1 . 50284 1
148 . 1 . 1 58 58 VAL HG21 H 1 0.8463544 . . . . . . . . 170 VAL HG2 . 50284 1
149 . 1 . 1 58 58 VAL HG22 H 1 0.8463544 . . . . . . . . 170 VAL HG2 . 50284 1
150 . 1 . 1 58 58 VAL HG23 H 1 0.8463544 . . . . . . . . 170 VAL HG2 . 50284 1
151 . 1 . 1 58 58 VAL CG1 C 13 18.9619100 . . . . . . . . 170 VAL CG1 . 50284 1
152 . 1 . 1 58 58 VAL CG2 C 13 20.8036500 . . . . . . . . 170 VAL CG2 . 50284 1
153 . 1 . 1 59 59 ILE HG21 H 1 0.0831962 . . . . . . . . 171 ILE HG2 . 50284 1
154 . 1 . 1 59 59 ILE HG22 H 1 0.0831962 . . . . . . . . 171 ILE HG2 . 50284 1
155 . 1 . 1 59 59 ILE HG23 H 1 0.0831962 . . . . . . . . 171 ILE HG2 . 50284 1
156 . 1 . 1 59 59 ILE HD11 H 1 0.7750227 . . . . . . . . 171 ILE HD1 . 50284 1
157 . 1 . 1 59 59 ILE HD12 H 1 0.7750227 . . . . . . . . 171 ILE HD1 . 50284 1
158 . 1 . 1 59 59 ILE HD13 H 1 0.7750227 . . . . . . . . 171 ILE HD1 . 50284 1
159 . 1 . 1 59 59 ILE CG2 C 13 17.3881000 . . . . . . . . 171 ILE CG2 . 50284 1
160 . 1 . 1 59 59 ILE CD1 C 13 14.7060100 . . . . . . . . 171 ILE CD1 . 50284 1
161 . 1 . 1 60 60 VAL HG11 H 1 0.7063641 . . . . . . . . 172 VAL HG1 . 50284 1
162 . 1 . 1 60 60 VAL HG12 H 1 0.7063641 . . . . . . . . 172 VAL HG1 . 50284 1
163 . 1 . 1 60 60 VAL HG13 H 1 0.7063641 . . . . . . . . 172 VAL HG1 . 50284 1
164 . 1 . 1 60 60 VAL HG21 H 1 0.7995847 . . . . . . . . 172 VAL HG2 . 50284 1
165 . 1 . 1 60 60 VAL HG22 H 1 0.7995847 . . . . . . . . 172 VAL HG2 . 50284 1
166 . 1 . 1 60 60 VAL HG23 H 1 0.7995847 . . . . . . . . 172 VAL HG2 . 50284 1
167 . 1 . 1 60 60 VAL CG1 C 13 20.9307300 . . . . . . . . 172 VAL CG1 . 50284 1
168 . 1 . 1 60 60 VAL CG2 C 13 21.4620800 . . . . . . . . 172 VAL CG2 . 50284 1
169 . 1 . 1 63 63 THR HG21 H 1 1.4399990 . . . . . . . . 175 THR HG2 . 50284 1
170 . 1 . 1 63 63 THR HG22 H 1 1.4399990 . . . . . . . . 175 THR HG2 . 50284 1
171 . 1 . 1 63 63 THR HG23 H 1 1.4399990 . . . . . . . . 175 THR HG2 . 50284 1
172 . 1 . 1 63 63 THR CG2 C 13 21.1498500 . . . . . . . . 175 THR CG2 . 50284 1
173 . 1 . 1 65 65 LEU HD11 H 1 0.6851638 . . . . . . . . 177 LEU HD1 . 50284 1
174 . 1 . 1 65 65 LEU HD12 H 1 0.6851638 . . . . . . . . 177 LEU HD1 . 50284 1
175 . 1 . 1 65 65 LEU HD13 H 1 0.6851638 . . . . . . . . 177 LEU HD1 . 50284 1
176 . 1 . 1 65 65 LEU HD21 H 1 0.7787449 . . . . . . . . 177 LEU HD2 . 50284 1
177 . 1 . 1 65 65 LEU HD22 H 1 0.7787449 . . . . . . . . 177 LEU HD2 . 50284 1
178 . 1 . 1 65 65 LEU HD23 H 1 0.7787449 . . . . . . . . 177 LEU HD2 . 50284 1
179 . 1 . 1 65 65 LEU CD1 C 13 22.8343500 . . . . . . . . 177 LEU CD1 . 50284 1
180 . 1 . 1 65 65 LEU CD2 C 13 24.6744000 . . . . . . . . 177 LEU CD2 . 50284 1
181 . 1 . 1 77 77 VAL HG11 H 1 0.7884376 . . . . . . . . 189 VAL HG1 . 50284 1
182 . 1 . 1 77 77 VAL HG12 H 1 0.7884376 . . . . . . . . 189 VAL HG1 . 50284 1
183 . 1 . 1 77 77 VAL HG13 H 1 0.7884376 . . . . . . . . 189 VAL HG1 . 50284 1
184 . 1 . 1 77 77 VAL HG21 H 1 0.9884352 . . . . . . . . 189 VAL HG2 . 50284 1
185 . 1 . 1 77 77 VAL HG22 H 1 0.9884352 . . . . . . . . 189 VAL HG2 . 50284 1
186 . 1 . 1 77 77 VAL HG23 H 1 0.9884352 . . . . . . . . 189 VAL HG2 . 50284 1
187 . 1 . 1 77 77 VAL CG1 C 13 20.8408400 . . . . . . . . 189 VAL CG1 . 50284 1
188 . 1 . 1 77 77 VAL CG2 C 13 21.1107000 . . . . . . . . 189 VAL CG2 . 50284 1
189 . 1 . 1 88 88 ILE HG21 H 1 0.6086874 . . . . . . . . 200 ILE HG2 . 50284 1
190 . 1 . 1 88 88 ILE HG22 H 1 0.6086874 . . . . . . . . 200 ILE HG2 . 50284 1
191 . 1 . 1 88 88 ILE HG23 H 1 0.6086874 . . . . . . . . 200 ILE HG2 . 50284 1
192 . 1 . 1 88 88 ILE HD11 H 1 0.6896991 . . . . . . . . 200 ILE HD1 . 50284 1
193 . 1 . 1 88 88 ILE HD12 H 1 0.6896991 . . . . . . . . 200 ILE HD1 . 50284 1
194 . 1 . 1 88 88 ILE HD13 H 1 0.6896991 . . . . . . . . 200 ILE HD1 . 50284 1
195 . 1 . 1 88 88 ILE CG2 C 13 17.0356300 . . . . . . . . 200 ILE CG2 . 50284 1
196 . 1 . 1 88 88 ILE CD1 C 13 13.8515800 . . . . . . . . 200 ILE CD1 . 50284 1
197 . 1 . 1 90 90 VAL HG11 H 1 0.7997027 . . . . . . . . 202 VAL HG1 . 50284 1
198 . 1 . 1 90 90 VAL HG12 H 1 0.7997027 . . . . . . . . 202 VAL HG1 . 50284 1
199 . 1 . 1 90 90 VAL HG13 H 1 0.7997027 . . . . . . . . 202 VAL HG1 . 50284 1
200 . 1 . 1 90 90 VAL HG21 H 1 1.0345520 . . . . . . . . 202 VAL HG2 . 50284 1
201 . 1 . 1 90 90 VAL HG22 H 1 1.0345520 . . . . . . . . 202 VAL HG2 . 50284 1
202 . 1 . 1 90 90 VAL HG23 H 1 1.0345520 . . . . . . . . 202 VAL HG2 . 50284 1
203 . 1 . 1 90 90 VAL CG1 C 13 19.6010400 . . . . . . . . 202 VAL CG1 . 50284 1
204 . 1 . 1 90 90 VAL CG2 C 13 21.6255600 . . . . . . . . 202 VAL CG2 . 50284 1
205 . 1 . 1 91 91 LEU HD11 H 1 0.8415453 . . . . . . . . 203 LEU HD1 . 50284 1
206 . 1 . 1 91 91 LEU HD12 H 1 0.8415453 . . . . . . . . 203 LEU HD1 . 50284 1
207 . 1 . 1 91 91 LEU HD13 H 1 0.8415453 . . . . . . . . 203 LEU HD1 . 50284 1
208 . 1 . 1 91 91 LEU HD21 H 1 0.8579964 . . . . . . . . 203 LEU HD2 . 50284 1
209 . 1 . 1 91 91 LEU HD22 H 1 0.8579964 . . . . . . . . 203 LEU HD2 . 50284 1
210 . 1 . 1 91 91 LEU HD23 H 1 0.8579964 . . . . . . . . 203 LEU HD2 . 50284 1
211 . 1 . 1 91 91 LEU CD1 C 13 22.9000000 . . . . . . . . 203 LEU CD1 . 50284 1
212 . 1 . 1 91 91 LEU CD2 C 13 25.9951100 . . . . . . . . 203 LEU CD2 . 50284 1
213 . 1 . 1 92 92 VAL HG11 H 1 0.3815074 . . . . . . . . 204 VAL HG1 . 50284 1
214 . 1 . 1 92 92 VAL HG12 H 1 0.3815074 . . . . . . . . 204 VAL HG1 . 50284 1
215 . 1 . 1 92 92 VAL HG13 H 1 0.3815074 . . . . . . . . 204 VAL HG1 . 50284 1
216 . 1 . 1 92 92 VAL HG21 H 1 1.0124100 . . . . . . . . 204 VAL HG2 . 50284 1
217 . 1 . 1 92 92 VAL HG22 H 1 1.0124100 . . . . . . . . 204 VAL HG2 . 50284 1
218 . 1 . 1 92 92 VAL HG23 H 1 1.0124100 . . . . . . . . 204 VAL HG2 . 50284 1
219 . 1 . 1 92 92 VAL CG1 C 13 20.9626800 . . . . . . . . 204 VAL CG1 . 50284 1
220 . 1 . 1 92 92 VAL CG2 C 13 20.0659000 . . . . . . . . 204 VAL CG2 . 50284 1
221 . 1 . 1 99 99 VAL HG11 H 1 0.4263661 . . . . . . . . 211 VAL HG1 . 50284 1
222 . 1 . 1 99 99 VAL HG12 H 1 0.4263661 . . . . . . . . 211 VAL HG1 . 50284 1
223 . 1 . 1 99 99 VAL HG13 H 1 0.4263661 . . . . . . . . 211 VAL HG1 . 50284 1
224 . 1 . 1 99 99 VAL HG21 H 1 0.7759149 . . . . . . . . 211 VAL HG2 . 50284 1
225 . 1 . 1 99 99 VAL HG22 H 1 0.7759149 . . . . . . . . 211 VAL HG2 . 50284 1
226 . 1 . 1 99 99 VAL HG23 H 1 0.7759149 . . . . . . . . 211 VAL HG2 . 50284 1
227 . 1 . 1 99 99 VAL CG1 C 13 20.7414300 . . . . . . . . 211 VAL CG1 . 50284 1
228 . 1 . 1 99 99 VAL CG2 C 13 21.0371500 . . . . . . . . 211 VAL CG2 . 50284 1
229 . 1 . 1 100 100 ALA HB1 H 1 1.2626850 . . . . . . . . 212 ALA HB . 50284 1
230 . 1 . 1 100 100 ALA HB2 H 1 1.2626850 . . . . . . . . 212 ALA HB . 50284 1
231 . 1 . 1 100 100 ALA HB3 H 1 1.2626850 . . . . . . . . 212 ALA HB . 50284 1
232 . 1 . 1 100 100 ALA CB C 13 21.8307400 . . . . . . . . 212 ALA CB . 50284 1
233 . 1 . 1 101 101 VAL HG11 H 1 0.2851770 . . . . . . . . 213 VAL HG1 . 50284 1
234 . 1 . 1 101 101 VAL HG12 H 1 0.2851770 . . . . . . . . 213 VAL HG1 . 50284 1
235 . 1 . 1 101 101 VAL HG13 H 1 0.2851770 . . . . . . . . 213 VAL HG1 . 50284 1
236 . 1 . 1 101 101 VAL HG21 H 1 0.6972991 . . . . . . . . 213 VAL HG2 . 50284 1
237 . 1 . 1 101 101 VAL HG22 H 1 0.6972991 . . . . . . . . 213 VAL HG2 . 50284 1
238 . 1 . 1 101 101 VAL HG23 H 1 0.6972991 . . . . . . . . 213 VAL HG2 . 50284 1
239 . 1 . 1 101 101 VAL CG1 C 13 20.1808500 . . . . . . . . 213 VAL CG1 . 50284 1
240 . 1 . 1 101 101 VAL CG2 C 13 22.9503300 . . . . . . . . 213 VAL CG2 . 50284 1
241 . 1 . 1 104 104 ALA HB1 H 1 1.3376640 . . . . . . . . 216 ALA HB . 50284 1
242 . 1 . 1 104 104 ALA HB2 H 1 1.3376640 . . . . . . . . 216 ALA HB . 50284 1
243 . 1 . 1 104 104 ALA HB3 H 1 1.3376640 . . . . . . . . 216 ALA HB . 50284 1
244 . 1 . 1 104 104 ALA CB C 13 20.6572300 . . . . . . . . 216 ALA CB . 50284 1
245 . 1 . 1 106 106 LEU HD11 H 1 0.8101370 . . . . . . . . 218 LEU HD1 . 50284 1
246 . 1 . 1 106 106 LEU HD12 H 1 0.8101370 . . . . . . . . 218 LEU HD1 . 50284 1
247 . 1 . 1 106 106 LEU HD13 H 1 0.8101370 . . . . . . . . 218 LEU HD1 . 50284 1
248 . 1 . 1 106 106 LEU HD21 H 1 0.8269951 . . . . . . . . 218 LEU HD2 . 50284 1
249 . 1 . 1 106 106 LEU HD22 H 1 0.8269951 . . . . . . . . 218 LEU HD2 . 50284 1
250 . 1 . 1 106 106 LEU HD23 H 1 0.8269951 . . . . . . . . 218 LEU HD2 . 50284 1
251 . 1 . 1 106 106 LEU CD1 C 13 21.8957900 . . . . . . . . 218 LEU CD1 . 50284 1
252 . 1 . 1 106 106 LEU CD2 C 13 26.1373500 . . . . . . . . 218 LEU CD2 . 50284 1
253 . 1 . 1 107 107 LEU HD11 H 1 0.9320894 . . . . . . . . 219 LEU HD1 . 50284 1
254 . 1 . 1 107 107 LEU HD12 H 1 0.9320894 . . . . . . . . 219 LEU HD1 . 50284 1
255 . 1 . 1 107 107 LEU HD13 H 1 0.9320894 . . . . . . . . 219 LEU HD1 . 50284 1
256 . 1 . 1 107 107 LEU HD21 H 1 0.9581139 . . . . . . . . 219 LEU HD2 . 50284 1
257 . 1 . 1 107 107 LEU HD22 H 1 0.9581139 . . . . . . . . 219 LEU HD2 . 50284 1
258 . 1 . 1 107 107 LEU HD23 H 1 0.9581139 . . . . . . . . 219 LEU HD2 . 50284 1
259 . 1 . 1 107 107 LEU CD1 C 13 24.3591700 . . . . . . . . 219 LEU CD1 . 50284 1
260 . 1 . 1 107 107 LEU CD2 C 13 8.1765930 . . . . . . . . 219 LEU CD2 . 50284 1
261 . 1 . 1 113 113 VAL HG11 H 1 0.8073706 . . . . . . . . 225 VAL HG1 . 50284 1
262 . 1 . 1 113 113 VAL HG12 H 1 0.8073706 . . . . . . . . 225 VAL HG1 . 50284 1
263 . 1 . 1 113 113 VAL HG13 H 1 0.8073706 . . . . . . . . 225 VAL HG1 . 50284 1
264 . 1 . 1 113 113 VAL HG21 H 1 0.9866185 . . . . . . . . 225 VAL HG2 . 50284 1
265 . 1 . 1 113 113 VAL HG22 H 1 0.9866185 . . . . . . . . 225 VAL HG2 . 50284 1
266 . 1 . 1 113 113 VAL HG23 H 1 0.9866185 . . . . . . . . 225 VAL HG2 . 50284 1
267 . 1 . 1 113 113 VAL CG1 C 13 20.4526600 . . . . . . . . 225 VAL CG1 . 50284 1
268 . 1 . 1 113 113 VAL CG2 C 13 21.4713300 . . . . . . . . 225 VAL CG2 . 50284 1
269 . 1 . 1 116 116 LEU HD11 H 1 -0.2943037 . . . . . . . . 228 LEU HD1 . 50284 1
270 . 1 . 1 116 116 LEU HD12 H 1 -0.2943037 . . . . . . . . 228 LEU HD1 . 50284 1
271 . 1 . 1 116 116 LEU HD13 H 1 -0.2943037 . . . . . . . . 228 LEU HD1 . 50284 1
272 . 1 . 1 116 116 LEU HD21 H 1 0.2835348 . . . . . . . . 228 LEU HD2 . 50284 1
273 . 1 . 1 116 116 LEU HD22 H 1 0.2835348 . . . . . . . . 228 LEU HD2 . 50284 1
274 . 1 . 1 116 116 LEU HD23 H 1 0.2835348 . . . . . . . . 228 LEU HD2 . 50284 1
275 . 1 . 1 116 116 LEU CD1 C 13 19.5877300 . . . . . . . . 228 LEU CD1 . 50284 1
276 . 1 . 1 116 116 LEU CD2 C 13 23.8701800 . . . . . . . . 228 LEU CD2 . 50284 1
277 . 1 . 1 119 119 ILE HG21 H 1 1.0765180 . . . . . . . . 231 ILE HG2 . 50284 1
278 . 1 . 1 119 119 ILE HG22 H 1 1.0765180 . . . . . . . . 231 ILE HG2 . 50284 1
279 . 1 . 1 119 119 ILE HG23 H 1 1.0765180 . . . . . . . . 231 ILE HG2 . 50284 1
280 . 1 . 1 119 119 ILE HD11 H 1 0.8759871 . . . . . . . . 231 ILE HD1 . 50284 1
281 . 1 . 1 119 119 ILE HD12 H 1 0.8759871 . . . . . . . . 231 ILE HD1 . 50284 1
282 . 1 . 1 119 119 ILE HD13 H 1 0.8759871 . . . . . . . . 231 ILE HD1 . 50284 1
283 . 1 . 1 119 119 ILE CG2 C 13 18.8387400 . . . . . . . . 231 ILE CG2 . 50284 1
284 . 1 . 1 119 119 ILE CD1 C 13 14.6668700 . . . . . . . . 231 ILE CD1 . 50284 1
285 . 1 . 1 122 122 LEU HD11 H 1 -0.3843426 . . . . . . . . 234 LEU HD1 . 50284 1
286 . 1 . 1 122 122 LEU HD12 H 1 -0.3843426 . . . . . . . . 234 LEU HD1 . 50284 1
287 . 1 . 1 122 122 LEU HD13 H 1 -0.3843426 . . . . . . . . 234 LEU HD1 . 50284 1
288 . 1 . 1 122 122 LEU HD21 H 1 0.5358739 . . . . . . . . 234 LEU HD2 . 50284 1
289 . 1 . 1 122 122 LEU HD22 H 1 0.5358739 . . . . . . . . 234 LEU HD2 . 50284 1
290 . 1 . 1 122 122 LEU HD23 H 1 0.5358739 . . . . . . . . 234 LEU HD2 . 50284 1
291 . 1 . 1 122 122 LEU CD1 C 13 21.6446200 . . . . . . . . 234 LEU CD1 . 50284 1
292 . 1 . 1 122 122 LEU CD2 C 13 26.3127700 . . . . . . . . 234 LEU CD2 . 50284 1
293 . 1 . 1 124 124 ILE HG21 H 1 0.8705270 . . . . . . . . 236 ILE HG2 . 50284 1
294 . 1 . 1 124 124 ILE HG22 H 1 0.8705270 . . . . . . . . 236 ILE HG2 . 50284 1
295 . 1 . 1 124 124 ILE HG23 H 1 0.8705270 . . . . . . . . 236 ILE HG2 . 50284 1
296 . 1 . 1 124 124 ILE HD11 H 1 0.8754726 . . . . . . . . 236 ILE HD1 . 50284 1
297 . 1 . 1 124 124 ILE HD12 H 1 0.8754726 . . . . . . . . 236 ILE HD1 . 50284 1
298 . 1 . 1 124 124 ILE HD13 H 1 0.8754726 . . . . . . . . 236 ILE HD1 . 50284 1
299 . 1 . 1 124 124 ILE CG2 C 13 18.2108800 . . . . . . . . 236 ILE CG2 . 50284 1
300 . 1 . 1 124 124 ILE CD1 C 13 15.5518100 . . . . . . . . 236 ILE CD1 . 50284 1
301 . 1 . 1 128 128 ILE HG21 H 1 0.7750466 . . . . . . . . 240 ILE HG2 . 50284 1
302 . 1 . 1 128 128 ILE HG22 H 1 0.7750466 . . . . . . . . 240 ILE HG2 . 50284 1
303 . 1 . 1 128 128 ILE HG23 H 1 0.7750466 . . . . . . . . 240 ILE HG2 . 50284 1
304 . 1 . 1 128 128 ILE HD11 H 1 0.6565255 . . . . . . . . 240 ILE HD1 . 50284 1
305 . 1 . 1 128 128 ILE HD12 H 1 0.6565255 . . . . . . . . 240 ILE HD1 . 50284 1
306 . 1 . 1 128 128 ILE HD13 H 1 0.6565255 . . . . . . . . 240 ILE HD1 . 50284 1
307 . 1 . 1 128 128 ILE CG2 C 13 19.3146700 . . . . . . . . 240 ILE CG2 . 50284 1
308 . 1 . 1 128 128 ILE CD1 C 13 13.7731800 . . . . . . . . 240 ILE CD1 . 50284 1
309 . 1 . 1 130 130 LEU HD11 H 1 0.4990223 . . . . . . . . 242 LEU HD1 . 50284 1
310 . 1 . 1 130 130 LEU HD12 H 1 0.4990223 . . . . . . . . 242 LEU HD1 . 50284 1
311 . 1 . 1 130 130 LEU HD13 H 1 0.4990223 . . . . . . . . 242 LEU HD1 . 50284 1
312 . 1 . 1 130 130 LEU HD21 H 1 0.8465013 . . . . . . . . 242 LEU HD2 . 50284 1
313 . 1 . 1 130 130 LEU HD22 H 1 0.8465013 . . . . . . . . 242 LEU HD2 . 50284 1
314 . 1 . 1 130 130 LEU HD23 H 1 0.8465013 . . . . . . . . 242 LEU HD2 . 50284 1
315 . 1 . 1 130 130 LEU CD1 C 13 27.0515100 . . . . . . . . 242 LEU CD1 . 50284 1
316 . 1 . 1 130 130 LEU CD2 C 13 26.4978000 . . . . . . . . 242 LEU CD2 . 50284 1
317 . 1 . 1 131 131 THR HG21 H 1 1.0755760 . . . . . . . . 243 THR HG2 . 50284 1
318 . 1 . 1 131 131 THR HG22 H 1 1.0755760 . . . . . . . . 243 THR HG2 . 50284 1
319 . 1 . 1 131 131 THR HG23 H 1 1.0755760 . . . . . . . . 243 THR HG2 . 50284 1
320 . 1 . 1 131 131 THR CG2 C 13 21.7483100 . . . . . . . . 243 THR CG2 . 50284 1
321 . 1 . 1 133 133 ALA HB1 H 1 1.1877540 . . . . . . . . 245 ALA HB . 50284 1
322 . 1 . 1 133 133 ALA HB2 H 1 1.1877540 . . . . . . . . 245 ALA HB . 50284 1
323 . 1 . 1 133 133 ALA HB3 H 1 1.1877540 . . . . . . . . 245 ALA HB . 50284 1
324 . 1 . 1 133 133 ALA CB C 13 21.3166100 . . . . . . . . 245 ALA CB . 50284 1
325 . 1 . 1 136 136 THR HG21 H 1 1.1283130 . . . . . . . . 248 THR HG2 . 50284 1
326 . 1 . 1 136 136 THR HG22 H 1 1.1283130 . . . . . . . . 248 THR HG2 . 50284 1
327 . 1 . 1 136 136 THR HG23 H 1 1.1283130 . . . . . . . . 248 THR HG2 . 50284 1
328 . 1 . 1 136 136 THR CG2 C 13 19.1234500 . . . . . . . . 248 THR CG2 . 50284 1
329 . 1 . 1 137 137 MET HE1 H 1 2.0475670 . . . . . . . . 249 MET HE . 50284 1
330 . 1 . 1 137 137 MET HE2 H 1 2.0475670 . . . . . . . . 249 MET HE . 50284 1
331 . 1 . 1 137 137 MET HE3 H 1 2.0475670 . . . . . . . . 249 MET HE . 50284 1
332 . 1 . 1 137 137 MET CE C 13 15.9344600 . . . . . . . . 249 MET CE . 50284 1
333 . 1 . 1 138 138 ILE HG21 H 1 0.8717911 . . . . . . . . 250 ILE HG2 . 50284 1
334 . 1 . 1 138 138 ILE HG22 H 1 0.8717911 . . . . . . . . 250 ILE HG2 . 50284 1
335 . 1 . 1 138 138 ILE HG23 H 1 0.8717911 . . . . . . . . 250 ILE HG2 . 50284 1
336 . 1 . 1 138 138 ILE HD11 H 1 0.8378210 . . . . . . . . 250 ILE HD1 . 50284 1
337 . 1 . 1 138 138 ILE HD12 H 1 0.8378210 . . . . . . . . 250 ILE HD1 . 50284 1
338 . 1 . 1 138 138 ILE HD13 H 1 0.8378210 . . . . . . . . 250 ILE HD1 . 50284 1
339 . 1 . 1 138 138 ILE CG2 C 13 19.1347800 . . . . . . . . 250 ILE CG2 . 50284 1
340 . 1 . 1 138 138 ILE CD1 C 13 14.5071200 . . . . . . . . 250 ILE CD1 . 50284 1
stop_
save_