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 50285
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'O-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
13 '3D HNCACB' . . . 50285 1
14 '3D CBCA(CO)NH' . . . 50285 1
15 '3D HCCH-TOCSY' . . . 50285 1
16 '2D 1H-13C HSQC aliphatic' . . . 50285 1
17 '2D 1H-15N HSQC' . . . 50285 1
18 '3D CCH-TOCSY' . . . 50285 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 . . 50285 1
3 $software_3 . . 50285 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 0.2231245 . . . . . . . . 114 LEU HD1 . 50285 1
2 . 1 . 1 2 2 LEU HD12 H 1 0.2231245 . . . . . . . . 114 LEU HD1 . 50285 1
3 . 1 . 1 2 2 LEU HD13 H 1 0.2231245 . . . . . . . . 114 LEU HD1 . 50285 1
4 . 1 . 1 2 2 LEU HD21 H 1 0.6935781 . . . . . . . . 114 LEU HD2 . 50285 1
5 . 1 . 1 2 2 LEU HD22 H 1 0.6935781 . . . . . . . . 114 LEU HD2 . 50285 1
6 . 1 . 1 2 2 LEU HD23 H 1 0.6935781 . . . . . . . . 114 LEU HD2 . 50285 1
7 . 1 . 1 2 2 LEU CD1 C 13 23.7039000 . . . . . . . . 114 LEU CD1 . 50285 1
8 . 1 . 1 2 2 LEU CD2 C 13 21.9783400 . . . . . . . . 114 LEU CD2 . 50285 1
9 . 1 . 1 3 3 ILE HG21 H 1 0.9430940 . . . . . . . . 115 ILE HG2 . 50285 1
10 . 1 . 1 3 3 ILE HG22 H 1 0.9430940 . . . . . . . . 115 ILE HG2 . 50285 1
11 . 1 . 1 3 3 ILE HG23 H 1 0.9430940 . . . . . . . . 115 ILE HG2 . 50285 1
12 . 1 . 1 3 3 ILE HD11 H 1 0.9116358 . . . . . . . . 115 ILE HD1 . 50285 1
13 . 1 . 1 3 3 ILE HD12 H 1 0.9116358 . . . . . . . . 115 ILE HD1 . 50285 1
14 . 1 . 1 3 3 ILE HD13 H 1 0.9116358 . . . . . . . . 115 ILE HD1 . 50285 1
15 . 1 . 1 3 3 ILE CG2 C 13 17.2943100 . . . . . . . . 115 ILE CG2 . 50285 1
16 . 1 . 1 3 3 ILE CD1 C 13 12.2973900 . . . . . . . . 115 ILE CD1 . 50285 1
17 . 1 . 1 4 4 VAL HG11 H 1 1.0871650 . . . . . . . . 116 VAL HG1 . 50285 1
18 . 1 . 1 4 4 VAL HG12 H 1 1.0871650 . . . . . . . . 116 VAL HG1 . 50285 1
19 . 1 . 1 4 4 VAL HG13 H 1 1.0871650 . . . . . . . . 116 VAL HG1 . 50285 1
20 . 1 . 1 4 4 VAL HG21 H 1 1.1553890 . . . . . . . . 116 VAL HG2 . 50285 1
21 . 1 . 1 4 4 VAL HG22 H 1 1.1553890 . . . . . . . . 116 VAL HG2 . 50285 1
22 . 1 . 1 4 4 VAL HG23 H 1 1.1553890 . . . . . . . . 116 VAL HG2 . 50285 1
23 . 1 . 1 4 4 VAL CG1 C 13 21.6012100 . . . . . . . . 116 VAL CG1 . 50285 1
24 . 1 . 1 4 4 VAL CG2 C 13 21.4167600 . . . . . . . . 116 VAL CG2 . 50285 1
25 . 1 . 1 8 8 LEU HD11 H 1 0.8278803 . . . . . . . . 120 LEU HD1 . 50285 1
26 . 1 . 1 8 8 LEU HD12 H 1 0.8278803 . . . . . . . . 120 LEU HD1 . 50285 1
27 . 1 . 1 8 8 LEU HD13 H 1 0.8278803 . . . . . . . . 120 LEU HD1 . 50285 1
28 . 1 . 1 8 8 LEU HD21 H 1 1.1847170 . . . . . . . . 120 LEU HD2 . 50285 1
29 . 1 . 1 8 8 LEU HD22 H 1 1.1847170 . . . . . . . . 120 LEU HD2 . 50285 1
30 . 1 . 1 8 8 LEU HD23 H 1 1.1847170 . . . . . . . . 120 LEU HD2 . 50285 1
31 . 1 . 1 8 8 LEU CD1 C 13 26.4220200 . . . . . . . . 120 LEU CD1 . 50285 1
32 . 1 . 1 8 8 LEU CD2 C 13 24.0717100 . . . . . . . . 120 LEU CD2 . 50285 1
33 . 1 . 1 10 10 LEU HD11 H 1 0.5032817 . . . . . . . . 122 LEU HD1 . 50285 1
34 . 1 . 1 10 10 LEU HD12 H 1 0.5032817 . . . . . . . . 122 LEU HD1 . 50285 1
35 . 1 . 1 10 10 LEU HD13 H 1 0.5032817 . . . . . . . . 122 LEU HD1 . 50285 1
36 . 1 . 1 10 10 LEU HD21 H 1 0.6992467 . . . . . . . . 122 LEU HD2 . 50285 1
37 . 1 . 1 10 10 LEU HD22 H 1 0.6992467 . . . . . . . . 122 LEU HD2 . 50285 1
38 . 1 . 1 10 10 LEU HD23 H 1 0.6992467 . . . . . . . . 122 LEU HD2 . 50285 1
39 . 1 . 1 10 10 LEU CD1 C 13 23.1671200 . . . . . . . . 122 LEU CD1 . 50285 1
40 . 1 . 1 10 10 LEU CD2 C 13 26.1181900 . . . . . . . . 122 LEU CD2 . 50285 1
41 . 1 . 1 14 14 VAL HG11 H 1 0.9785934 . . . . . . . . 126 VAL HG1 . 50285 1
42 . 1 . 1 14 14 VAL HG12 H 1 0.9785934 . . . . . . . . 126 VAL HG1 . 50285 1
43 . 1 . 1 14 14 VAL HG13 H 1 0.9785934 . . . . . . . . 126 VAL HG1 . 50285 1
44 . 1 . 1 14 14 VAL HG21 H 1 0.9919996 . . . . . . . . 126 VAL HG2 . 50285 1
45 . 1 . 1 14 14 VAL HG22 H 1 0.9919996 . . . . . . . . 126 VAL HG2 . 50285 1
46 . 1 . 1 14 14 VAL HG23 H 1 0.9919996 . . . . . . . . 126 VAL HG2 . 50285 1
47 . 1 . 1 14 14 VAL CG1 C 13 22.1327300 . . . . . . . . 126 VAL CG1 . 50285 1
48 . 1 . 1 14 14 VAL CG2 C 13 23.5176600 . . . . . . . . 126 VAL CG2 . 50285 1
49 . 1 . 1 15 15 VAL HG11 H 1 0.7900494 . . . . . . . . 127 VAL HG1 . 50285 1
50 . 1 . 1 15 15 VAL HG12 H 1 0.7900494 . . . . . . . . 127 VAL HG1 . 50285 1
51 . 1 . 1 15 15 VAL HG13 H 1 0.7900494 . . . . . . . . 127 VAL HG1 . 50285 1
52 . 1 . 1 15 15 VAL HG21 H 1 0.8744995 . . . . . . . . 127 VAL HG2 . 50285 1
53 . 1 . 1 15 15 VAL HG22 H 1 0.8744995 . . . . . . . . 127 VAL HG2 . 50285 1
54 . 1 . 1 15 15 VAL HG23 H 1 0.8744995 . . . . . . . . 127 VAL HG2 . 50285 1
55 . 1 . 1 15 15 VAL CG1 C 13 19.4811900 . . . . . . . . 127 VAL CG1 . 50285 1
56 . 1 . 1 15 15 VAL CG2 C 13 21.0769800 . . . . . . . . 127 VAL CG2 . 50285 1
57 . 1 . 1 18 18 MET HE1 H 1 1.7381330 . . . . . . . . 130 MET HE . 50285 1
58 . 1 . 1 18 18 MET HE2 H 1 1.7381330 . . . . . . . . 130 MET HE . 50285 1
59 . 1 . 1 18 18 MET HE3 H 1 1.7381330 . . . . . . . . 130 MET HE . 50285 1
60 . 1 . 1 18 18 MET CE C 13 17.3452900 . . . . . . . . 130 MET CE . 50285 1
61 . 1 . 1 19 19 LEU HD11 H 1 0.7838397 . . . . . . . . 131 LEU HD1 . 50285 1
62 . 1 . 1 19 19 LEU HD12 H 1 0.7838397 . . . . . . . . 131 LEU HD1 . 50285 1
63 . 1 . 1 19 19 LEU HD13 H 1 0.7838397 . . . . . . . . 131 LEU HD1 . 50285 1
64 . 1 . 1 19 19 LEU HD21 H 1 0.8139032 . . . . . . . . 131 LEU HD2 . 50285 1
65 . 1 . 1 19 19 LEU HD22 H 1 0.8139032 . . . . . . . . 131 LEU HD2 . 50285 1
66 . 1 . 1 19 19 LEU HD23 H 1 0.8139032 . . . . . . . . 131 LEU HD2 . 50285 1
67 . 1 . 1 19 19 LEU CD1 C 13 25.9064400 . . . . . . . . 131 LEU CD1 . 50285 1
68 . 1 . 1 19 19 LEU CD2 C 13 23.7463300 . . . . . . . . 131 LEU CD2 . 50285 1
69 . 1 . 1 20 20 ILE HG21 H 1 0.8864484 . . . . . . . . 132 ILE HG2 . 50285 1
70 . 1 . 1 20 20 ILE HG22 H 1 0.8864484 . . . . . . . . 132 ILE HG2 . 50285 1
71 . 1 . 1 20 20 ILE HG23 H 1 0.8864484 . . . . . . . . 132 ILE HG2 . 50285 1
72 . 1 . 1 20 20 ILE HD11 H 1 1.1592630 . . . . . . . . 132 ILE HD1 . 50285 1
73 . 1 . 1 20 20 ILE HD12 H 1 1.1592630 . . . . . . . . 132 ILE HD1 . 50285 1
74 . 1 . 1 20 20 ILE HD13 H 1 1.1592630 . . . . . . . . 132 ILE HD1 . 50285 1
75 . 1 . 1 20 20 ILE CG2 C 13 17.7179600 . . . . . . . . 132 ILE CG2 . 50285 1
76 . 1 . 1 20 20 ILE CD1 C 13 15.1721400 . . . . . . . . 132 ILE CD1 . 50285 1
77 . 1 . 1 21 21 THR HG21 H 1 1.0713500 . . . . . . . . 133 THR HG2 . 50285 1
78 . 1 . 1 21 21 THR HG22 H 1 1.0713500 . . . . . . . . 133 THR HG2 . 50285 1
79 . 1 . 1 21 21 THR HG23 H 1 1.0713500 . . . . . . . . 133 THR HG2 . 50285 1
80 . 1 . 1 21 21 THR CG2 C 13 21.0613200 . . . . . . . . 133 THR CG2 . 50285 1
81 . 1 . 1 22 22 ILE HG21 H 1 0.9722828 . . . . . . . . 134 ILE HG2 . 50285 1
82 . 1 . 1 22 22 ILE HG22 H 1 0.9722828 . . . . . . . . 134 ILE HG2 . 50285 1
83 . 1 . 1 22 22 ILE HG23 H 1 0.9722828 . . . . . . . . 134 ILE HG2 . 50285 1
84 . 1 . 1 22 22 ILE HD11 H 1 0.7801273 . . . . . . . . 134 ILE HD1 . 50285 1
85 . 1 . 1 22 22 ILE HD12 H 1 0.7801273 . . . . . . . . 134 ILE HD1 . 50285 1
86 . 1 . 1 22 22 ILE HD13 H 1 0.7801273 . . . . . . . . 134 ILE HD1 . 50285 1
87 . 1 . 1 22 22 ILE CG2 C 13 18.4553100 . . . . . . . . 134 ILE CG2 . 50285 1
88 . 1 . 1 22 22 ILE CD1 C 13 14.4409300 . . . . . . . . 134 ILE CD1 . 50285 1
89 . 1 . 1 23 23 LEU HD11 H 1 0.7905027 . . . . . . . . 135 LEU HD1 . 50285 1
90 . 1 . 1 23 23 LEU HD12 H 1 0.7905027 . . . . . . . . 135 LEU HD1 . 50285 1
91 . 1 . 1 23 23 LEU HD13 H 1 0.7905027 . . . . . . . . 135 LEU HD1 . 50285 1
92 . 1 . 1 23 23 LEU HD21 H 1 0.8646510 . . . . . . . . 135 LEU HD2 . 50285 1
93 . 1 . 1 23 23 LEU HD22 H 1 0.8646510 . . . . . . . . 135 LEU HD2 . 50285 1
94 . 1 . 1 23 23 LEU HD23 H 1 0.8646510 . . . . . . . . 135 LEU HD2 . 50285 1
95 . 1 . 1 23 23 LEU CD1 C 13 24.7633200 . . . . . . . . 135 LEU CD1 . 50285 1
96 . 1 . 1 23 23 LEU CD2 C 13 23.7811200 . . . . . . . . 135 LEU CD2 . 50285 1
97 . 1 . 1 25 25 THR HG21 H 1 0.9502797 . . . . . . . . 137 THR HG2 . 50285 1
98 . 1 . 1 25 25 THR HG22 H 1 0.9502797 . . . . . . . . 137 THR HG2 . 50285 1
99 . 1 . 1 25 25 THR HG23 H 1 0.9502797 . . . . . . . . 137 THR HG2 . 50285 1
100 . 1 . 1 25 25 THR CG2 C 13 21.3046500 . . . . . . . . 137 THR CG2 . 50285 1
101 . 1 . 1 26 26 VAL HG11 H 1 1.0228420 . . . . . . . . 138 VAL HG1 . 50285 1
102 . 1 . 1 26 26 VAL HG12 H 1 1.0228420 . . . . . . . . 138 VAL HG1 . 50285 1
103 . 1 . 1 26 26 VAL HG13 H 1 1.0228420 . . . . . . . . 138 VAL HG1 . 50285 1
104 . 1 . 1 26 26 VAL HG21 H 1 1.2626930 . . . . . . . . 138 VAL HG2 . 50285 1
105 . 1 . 1 26 26 VAL HG22 H 1 1.2626930 . . . . . . . . 138 VAL HG2 . 50285 1
106 . 1 . 1 26 26 VAL HG23 H 1 1.2626930 . . . . . . . . 138 VAL HG2 . 50285 1
107 . 1 . 1 26 26 VAL CG1 C 13 23.8351900 . . . . . . . . 138 VAL CG1 . 50285 1
108 . 1 . 1 26 26 VAL CG2 C 13 24.2449700 . . . . . . . . 138 VAL CG2 . 50285 1
109 . 1 . 1 30 30 ALA HB1 H 1 0.5517293 . . . . . . . . 142 ALA HB . 50285 1
110 . 1 . 1 30 30 ALA HB2 H 1 0.5517293 . . . . . . . . 142 ALA HB . 50285 1
111 . 1 . 1 30 30 ALA HB3 H 1 0.5517293 . . . . . . . . 142 ALA HB . 50285 1
112 . 1 . 1 30 30 ALA CB C 13 19.9557300 . . . . . . . . 142 ALA CB . 50285 1
113 . 1 . 1 33 33 ILE HG21 H 1 0.5293417 . . . . . . . . 145 ILE HG2 . 50285 1
114 . 1 . 1 33 33 ILE HG22 H 1 0.5293417 . . . . . . . . 145 ILE HG2 . 50285 1
115 . 1 . 1 33 33 ILE HG23 H 1 0.5293417 . . . . . . . . 145 ILE HG2 . 50285 1
116 . 1 . 1 33 33 ILE HD11 H 1 -0.0821400 . . . . . . . . 145 ILE HD1 . 50285 1
117 . 1 . 1 33 33 ILE HD12 H 1 -0.0821400 . . . . . . . . 145 ILE HD1 . 50285 1
118 . 1 . 1 33 33 ILE HD13 H 1 -0.0821400 . . . . . . . . 145 ILE HD1 . 50285 1
119 . 1 . 1 33 33 ILE CG2 C 13 15.0720300 . . . . . . . . 145 ILE CG2 . 50285 1
120 . 1 . 1 33 33 ILE CD1 C 13 13.1866600 . . . . . . . . 145 ILE CD1 . 50285 1
121 . 1 . 1 34 34 ALA HB1 H 1 0.8127186 . . . . . . . . 146 ALA HB . 50285 1
122 . 1 . 1 34 34 ALA HB2 H 1 0.8127186 . . . . . . . . 146 ALA HB . 50285 1
123 . 1 . 1 34 34 ALA HB3 H 1 0.8127186 . . . . . . . . 146 ALA HB . 50285 1
124 . 1 . 1 34 34 ALA CB C 13 21.2352600 . . . . . . . . 146 ALA CB . 50285 1
125 . 1 . 1 35 35 LEU HD11 H 1 0.6250488 . . . . . . . . 147 LEU HD1 . 50285 1
126 . 1 . 1 35 35 LEU HD12 H 1 0.6250488 . . . . . . . . 147 LEU HD1 . 50285 1
127 . 1 . 1 35 35 LEU HD13 H 1 0.6250488 . . . . . . . . 147 LEU HD1 . 50285 1
128 . 1 . 1 35 35 LEU HD21 H 1 0.7029242 . . . . . . . . 147 LEU HD2 . 50285 1
129 . 1 . 1 35 35 LEU HD22 H 1 0.7029242 . . . . . . . . 147 LEU HD2 . 50285 1
130 . 1 . 1 35 35 LEU HD23 H 1 0.7029242 . . . . . . . . 147 LEU HD2 . 50285 1
131 . 1 . 1 35 35 LEU CD1 C 13 23.7139100 . . . . . . . . 147 LEU CD1 . 50285 1
132 . 1 . 1 35 35 LEU CD2 C 13 25.0050500 . . . . . . . . 147 LEU CD2 . 50285 1
133 . 1 . 1 43 43 VAL HG11 H 1 0.7114655 . . . . . . . . 155 VAL HG1 . 50285 1
134 . 1 . 1 43 43 VAL HG12 H 1 0.7114655 . . . . . . . . 155 VAL HG1 . 50285 1
135 . 1 . 1 43 43 VAL HG13 H 1 0.7114655 . . . . . . . . 155 VAL HG1 . 50285 1
136 . 1 . 1 43 43 VAL HG21 H 1 1.1172560 . . . . . . . . 155 VAL HG2 . 50285 1
137 . 1 . 1 43 43 VAL HG22 H 1 1.1172560 . . . . . . . . 155 VAL HG2 . 50285 1
138 . 1 . 1 43 43 VAL HG23 H 1 1.1172560 . . . . . . . . 155 VAL HG2 . 50285 1
139 . 1 . 1 43 43 VAL CG1 C 13 19.8064000 . . . . . . . . 155 VAL CG1 . 50285 1
140 . 1 . 1 43 43 VAL CG2 C 13 22.3695000 . . . . . . . . 155 VAL CG2 . 50285 1
141 . 1 . 1 44 44 ALA HB1 H 1 1.5151520 . . . . . . . . 156 ALA HB . 50285 1
142 . 1 . 1 44 44 ALA HB2 H 1 1.5151520 . . . . . . . . 156 ALA HB . 50285 1
143 . 1 . 1 44 44 ALA HB3 H 1 1.5151520 . . . . . . . . 156 ALA HB . 50285 1
144 . 1 . 1 44 44 ALA CB C 13 19.1281100 . . . . . . . . 156 ALA CB . 50285 1
145 . 1 . 1 58 58 VAL HG11 H 1 0.6994007 . . . . . . . . 170 VAL HG1 . 50285 1
146 . 1 . 1 58 58 VAL HG12 H 1 0.6994007 . . . . . . . . 170 VAL HG1 . 50285 1
147 . 1 . 1 58 58 VAL HG13 H 1 0.6994007 . . . . . . . . 170 VAL HG1 . 50285 1
148 . 1 . 1 58 58 VAL HG21 H 1 0.8414937 . . . . . . . . 170 VAL HG2 . 50285 1
149 . 1 . 1 58 58 VAL HG22 H 1 0.8414937 . . . . . . . . 170 VAL HG2 . 50285 1
150 . 1 . 1 58 58 VAL HG23 H 1 0.8414937 . . . . . . . . 170 VAL HG2 . 50285 1
151 . 1 . 1 58 58 VAL CG1 C 13 18.9765000 . . . . . . . . 170 VAL CG1 . 50285 1
152 . 1 . 1 58 58 VAL CG2 C 13 20.7896600 . . . . . . . . 170 VAL CG2 . 50285 1
153 . 1 . 1 59 59 ILE HG21 H 1 0.1123356 . . . . . . . . 171 ILE HG2 . 50285 1
154 . 1 . 1 59 59 ILE HG22 H 1 0.1123356 . . . . . . . . 171 ILE HG2 . 50285 1
155 . 1 . 1 59 59 ILE HG23 H 1 0.1123356 . . . . . . . . 171 ILE HG2 . 50285 1
156 . 1 . 1 59 59 ILE HD11 H 1 0.7908660 . . . . . . . . 171 ILE HD1 . 50285 1
157 . 1 . 1 59 59 ILE HD12 H 1 0.7908660 . . . . . . . . 171 ILE HD1 . 50285 1
158 . 1 . 1 59 59 ILE HD13 H 1 0.7908660 . . . . . . . . 171 ILE HD1 . 50285 1
159 . 1 . 1 59 59 ILE CG2 C 13 17.4449100 . . . . . . . . 171 ILE CG2 . 50285 1
160 . 1 . 1 59 59 ILE CD1 C 13 14.6258400 . . . . . . . . 171 ILE CD1 . 50285 1
161 . 1 . 1 60 60 VAL HG11 H 1 0.7069342 . . . . . . . . 172 VAL HG1 . 50285 1
162 . 1 . 1 60 60 VAL HG12 H 1 0.7069342 . . . . . . . . 172 VAL HG1 . 50285 1
163 . 1 . 1 60 60 VAL HG13 H 1 0.7069342 . . . . . . . . 172 VAL HG1 . 50285 1
164 . 1 . 1 60 60 VAL HG21 H 1 0.8000593 . . . . . . . . 172 VAL HG2 . 50285 1
165 . 1 . 1 60 60 VAL HG22 H 1 0.8000593 . . . . . . . . 172 VAL HG2 . 50285 1
166 . 1 . 1 60 60 VAL HG23 H 1 0.8000593 . . . . . . . . 172 VAL HG2 . 50285 1
167 . 1 . 1 60 60 VAL CG1 C 13 21.0179200 . . . . . . . . 172 VAL CG1 . 50285 1
168 . 1 . 1 60 60 VAL CG2 C 13 21.4654700 . . . . . . . . 172 VAL CG2 . 50285 1
169 . 1 . 1 63 63 THR HG21 H 1 1.4404170 . . . . . . . . 175 THR HG2 . 50285 1
170 . 1 . 1 63 63 THR HG22 H 1 1.4404170 . . . . . . . . 175 THR HG2 . 50285 1
171 . 1 . 1 63 63 THR HG23 H 1 1.4404170 . . . . . . . . 175 THR HG2 . 50285 1
172 . 1 . 1 63 63 THR CG2 C 13 21.1706500 . . . . . . . . 175 THR CG2 . 50285 1
173 . 1 . 1 65 65 LEU HD11 H 1 0.6852450 . . . . . . . . 177 LEU HD1 . 50285 1
174 . 1 . 1 65 65 LEU HD12 H 1 0.6852450 . . . . . . . . 177 LEU HD1 . 50285 1
175 . 1 . 1 65 65 LEU HD13 H 1 0.6852450 . . . . . . . . 177 LEU HD1 . 50285 1
176 . 1 . 1 65 65 LEU HD21 H 1 0.7794568 . . . . . . . . 177 LEU HD2 . 50285 1
177 . 1 . 1 65 65 LEU HD22 H 1 0.7794568 . . . . . . . . 177 LEU HD2 . 50285 1
178 . 1 . 1 65 65 LEU HD23 H 1 0.7794568 . . . . . . . . 177 LEU HD2 . 50285 1
179 . 1 . 1 65 65 LEU CD1 C 13 22.8450300 . . . . . . . . 177 LEU CD1 . 50285 1
180 . 1 . 1 65 65 LEU CD2 C 13 24.6736300 . . . . . . . . 177 LEU CD2 . 50285 1
181 . 1 . 1 77 77 VAL HG11 H 1 0.7941428 . . . . . . . . 189 VAL HG1 . 50285 1
182 . 1 . 1 77 77 VAL HG12 H 1 0.7941428 . . . . . . . . 189 VAL HG1 . 50285 1
183 . 1 . 1 77 77 VAL HG13 H 1 0.7941428 . . . . . . . . 189 VAL HG1 . 50285 1
184 . 1 . 1 77 77 VAL HG21 H 1 0.9896327 . . . . . . . . 189 VAL HG2 . 50285 1
185 . 1 . 1 77 77 VAL HG22 H 1 0.9896327 . . . . . . . . 189 VAL HG2 . 50285 1
186 . 1 . 1 77 77 VAL HG23 H 1 0.9896327 . . . . . . . . 189 VAL HG2 . 50285 1
187 . 1 . 1 77 77 VAL CG1 C 13 20.8325300 . . . . . . . . 189 VAL CG1 . 50285 1
188 . 1 . 1 77 77 VAL CG2 C 13 21.1116600 . . . . . . . . 189 VAL CG2 . 50285 1
189 . 1 . 1 88 88 ILE HG21 H 1 0.6098434 . . . . . . . . 200 ILE HG2 . 50285 1
190 . 1 . 1 88 88 ILE HG22 H 1 0.6098434 . . . . . . . . 200 ILE HG2 . 50285 1
191 . 1 . 1 88 88 ILE HG23 H 1 0.6098434 . . . . . . . . 200 ILE HG2 . 50285 1
192 . 1 . 1 88 88 ILE HD11 H 1 0.6886846 . . . . . . . . 200 ILE HD1 . 50285 1
193 . 1 . 1 88 88 ILE HD12 H 1 0.6886846 . . . . . . . . 200 ILE HD1 . 50285 1
194 . 1 . 1 88 88 ILE HD13 H 1 0.6886846 . . . . . . . . 200 ILE HD1 . 50285 1
195 . 1 . 1 88 88 ILE CG2 C 13 17.0546900 . . . . . . . . 200 ILE CG2 . 50285 1
196 . 1 . 1 88 88 ILE CD1 C 13 13.8928900 . . . . . . . . 200 ILE CD1 . 50285 1
197 . 1 . 1 90 90 VAL HG11 H 1 0.8013581 . . . . . . . . 202 VAL HG1 . 50285 1
198 . 1 . 1 90 90 VAL HG12 H 1 0.8013581 . . . . . . . . 202 VAL HG1 . 50285 1
199 . 1 . 1 90 90 VAL HG13 H 1 0.8013581 . . . . . . . . 202 VAL HG1 . 50285 1
200 . 1 . 1 90 90 VAL HG21 H 1 1.0368590 . . . . . . . . 202 VAL HG2 . 50285 1
201 . 1 . 1 90 90 VAL HG22 H 1 1.0368590 . . . . . . . . 202 VAL HG2 . 50285 1
202 . 1 . 1 90 90 VAL HG23 H 1 1.0368590 . . . . . . . . 202 VAL HG2 . 50285 1
203 . 1 . 1 90 90 VAL CG1 C 13 19.5959000 . . . . . . . . 202 VAL CG1 . 50285 1
204 . 1 . 1 90 90 VAL CG2 C 13 21.6498700 . . . . . . . . 202 VAL CG2 . 50285 1
205 . 1 . 1 91 91 LEU HD11 H 1 0.8393434 . . . . . . . . 203 LEU HD1 . 50285 1
206 . 1 . 1 91 91 LEU HD12 H 1 0.8393434 . . . . . . . . 203 LEU HD1 . 50285 1
207 . 1 . 1 91 91 LEU HD13 H 1 0.8393434 . . . . . . . . 203 LEU HD1 . 50285 1
208 . 1 . 1 91 91 LEU HD21 H 1 0.8526150 . . . . . . . . 203 LEU HD2 . 50285 1
209 . 1 . 1 91 91 LEU HD22 H 1 0.8526150 . . . . . . . . 203 LEU HD2 . 50285 1
210 . 1 . 1 91 91 LEU HD23 H 1 0.8526150 . . . . . . . . 203 LEU HD2 . 50285 1
211 . 1 . 1 91 91 LEU CD1 C 13 22.9041000 . . . . . . . . 203 LEU CD1 . 50285 1
212 . 1 . 1 91 91 LEU CD2 C 13 25.9644400 . . . . . . . . 203 LEU CD2 . 50285 1
213 . 1 . 1 92 92 VAL HG11 H 1 0.3803483 . . . . . . . . 204 VAL HG1 . 50285 1
214 . 1 . 1 92 92 VAL HG12 H 1 0.3803483 . . . . . . . . 204 VAL HG1 . 50285 1
215 . 1 . 1 92 92 VAL HG13 H 1 0.3803483 . . . . . . . . 204 VAL HG1 . 50285 1
216 . 1 . 1 92 92 VAL HG21 H 1 1.0138100 . . . . . . . . 204 VAL HG2 . 50285 1
217 . 1 . 1 92 92 VAL HG22 H 1 1.0138100 . . . . . . . . 204 VAL HG2 . 50285 1
218 . 1 . 1 92 92 VAL HG23 H 1 1.0138100 . . . . . . . . 204 VAL HG2 . 50285 1
219 . 1 . 1 92 92 VAL CG1 C 13 20.9605400 . . . . . . . . 204 VAL CG1 . 50285 1
220 . 1 . 1 92 92 VAL CG2 C 13 20.0725600 . . . . . . . . 204 VAL CG2 . 50285 1
221 . 1 . 1 99 99 VAL HG11 H 1 0.4151455 . . . . . . . . 211 VAL HG1 . 50285 1
222 . 1 . 1 99 99 VAL HG12 H 1 0.4151455 . . . . . . . . 211 VAL HG1 . 50285 1
223 . 1 . 1 99 99 VAL HG13 H 1 0.4151455 . . . . . . . . 211 VAL HG1 . 50285 1
224 . 1 . 1 99 99 VAL HG21 H 1 0.7682055 . . . . . . . . 211 VAL HG2 . 50285 1
225 . 1 . 1 99 99 VAL HG22 H 1 0.7682055 . . . . . . . . 211 VAL HG2 . 50285 1
226 . 1 . 1 99 99 VAL HG23 H 1 0.7682055 . . . . . . . . 211 VAL HG2 . 50285 1
227 . 1 . 1 99 99 VAL CG1 C 13 20.7479000 . . . . . . . . 211 VAL CG1 . 50285 1
228 . 1 . 1 99 99 VAL CG2 C 13 21.0269300 . . . . . . . . 211 VAL CG2 . 50285 1
229 . 1 . 1 100 100 ALA HB1 H 1 1.2572970 . . . . . . . . 212 ALA HB . 50285 1
230 . 1 . 1 100 100 ALA HB2 H 1 1.2572970 . . . . . . . . 212 ALA HB . 50285 1
231 . 1 . 1 100 100 ALA HB3 H 1 1.2572970 . . . . . . . . 212 ALA HB . 50285 1
232 . 1 . 1 100 100 ALA CB C 13 21.8322500 . . . . . . . . 212 ALA CB . 50285 1
233 . 1 . 1 101 101 VAL HG11 H 1 0.2789258 . . . . . . . . 213 VAL HG1 . 50285 1
234 . 1 . 1 101 101 VAL HG12 H 1 0.2789258 . . . . . . . . 213 VAL HG1 . 50285 1
235 . 1 . 1 101 101 VAL HG13 H 1 0.2789258 . . . . . . . . 213 VAL HG1 . 50285 1
236 . 1 . 1 101 101 VAL HG21 H 1 0.6985097 . . . . . . . . 213 VAL HG2 . 50285 1
237 . 1 . 1 101 101 VAL HG22 H 1 0.6985097 . . . . . . . . 213 VAL HG2 . 50285 1
238 . 1 . 1 101 101 VAL HG23 H 1 0.6985097 . . . . . . . . 213 VAL HG2 . 50285 1
239 . 1 . 1 101 101 VAL CG1 C 13 20.1704400 . . . . . . . . 213 VAL CG1 . 50285 1
240 . 1 . 1 101 101 VAL CG2 C 13 22.9646700 . . . . . . . . 213 VAL CG2 . 50285 1
241 . 1 . 1 104 104 ALA HB1 H 1 1.3373140 . . . . . . . . 216 ALA HB . 50285 1
242 . 1 . 1 104 104 ALA HB2 H 1 1.3373140 . . . . . . . . 216 ALA HB . 50285 1
243 . 1 . 1 104 104 ALA HB3 H 1 1.3373140 . . . . . . . . 216 ALA HB . 50285 1
244 . 1 . 1 104 104 ALA CB C 13 20.6667600 . . . . . . . . 216 ALA CB . 50285 1
245 . 1 . 1 106 106 LEU HD11 H 1 0.8108156 . . . . . . . . 218 LEU HD1 . 50285 1
246 . 1 . 1 106 106 LEU HD12 H 1 0.8108156 . . . . . . . . 218 LEU HD1 . 50285 1
247 . 1 . 1 106 106 LEU HD13 H 1 0.8108156 . . . . . . . . 218 LEU HD1 . 50285 1
248 . 1 . 1 106 106 LEU HD21 H 1 0.8299190 . . . . . . . . 218 LEU HD2 . 50285 1
249 . 1 . 1 106 106 LEU HD22 H 1 0.8299190 . . . . . . . . 218 LEU HD2 . 50285 1
250 . 1 . 1 106 106 LEU HD23 H 1 0.8299190 . . . . . . . . 218 LEU HD2 . 50285 1
251 . 1 . 1 106 106 LEU CD1 C 13 21.9165200 . . . . . . . . 218 LEU CD1 . 50285 1
252 . 1 . 1 106 106 LEU CD2 C 13 26.1460600 . . . . . . . . 218 LEU CD2 . 50285 1
253 . 1 . 1 107 107 LEU HD11 H 1 0.9282412 . . . . . . . . 219 LEU HD1 . 50285 1
254 . 1 . 1 107 107 LEU HD12 H 1 0.9282412 . . . . . . . . 219 LEU HD1 . 50285 1
255 . 1 . 1 107 107 LEU HD13 H 1 0.9282412 . . . . . . . . 219 LEU HD1 . 50285 1
256 . 1 . 1 107 107 LEU HD21 H 1 0.9588753 . . . . . . . . 219 LEU HD2 . 50285 1
257 . 1 . 1 107 107 LEU HD22 H 1 0.9588753 . . . . . . . . 219 LEU HD2 . 50285 1
258 . 1 . 1 107 107 LEU HD23 H 1 0.9588753 . . . . . . . . 219 LEU HD2 . 50285 1
259 . 1 . 1 107 107 LEU CD1 C 13 24.3386000 . . . . . . . . 219 LEU CD1 . 50285 1
260 . 1 . 1 107 107 LEU CD2 C 13 8.2117010 . . . . . . . . 219 LEU CD2 . 50285 1
261 . 1 . 1 113 113 VAL HG11 H 1 0.8073124 . . . . . . . . 225 VAL HG1 . 50285 1
262 . 1 . 1 113 113 VAL HG12 H 1 0.8073124 . . . . . . . . 225 VAL HG1 . 50285 1
263 . 1 . 1 113 113 VAL HG13 H 1 0.8073124 . . . . . . . . 225 VAL HG1 . 50285 1
264 . 1 . 1 113 113 VAL HG21 H 1 0.9884689 . . . . . . . . 225 VAL HG2 . 50285 1
265 . 1 . 1 113 113 VAL HG22 H 1 0.9884689 . . . . . . . . 225 VAL HG2 . 50285 1
266 . 1 . 1 113 113 VAL HG23 H 1 0.9884689 . . . . . . . . 225 VAL HG2 . 50285 1
267 . 1 . 1 113 113 VAL CG1 C 13 20.4480700 . . . . . . . . 225 VAL CG1 . 50285 1
268 . 1 . 1 113 113 VAL CG2 C 13 21.4882600 . . . . . . . . 225 VAL CG2 . 50285 1
269 . 1 . 1 116 116 LEU HD11 H 1 -0.2940715 . . . . . . . . 228 LEU HD1 . 50285 1
270 . 1 . 1 116 116 LEU HD12 H 1 -0.2940715 . . . . . . . . 228 LEU HD1 . 50285 1
271 . 1 . 1 116 116 LEU HD13 H 1 -0.2940715 . . . . . . . . 228 LEU HD1 . 50285 1
272 . 1 . 1 116 116 LEU HD21 H 1 0.2843607 . . . . . . . . 228 LEU HD2 . 50285 1
273 . 1 . 1 116 116 LEU HD22 H 1 0.2843607 . . . . . . . . 228 LEU HD2 . 50285 1
274 . 1 . 1 116 116 LEU HD23 H 1 0.2843607 . . . . . . . . 228 LEU HD2 . 50285 1
275 . 1 . 1 116 116 LEU CD1 C 13 19.6002900 . . . . . . . . 228 LEU CD1 . 50285 1
276 . 1 . 1 116 116 LEU CD2 C 13 23.8750700 . . . . . . . . 228 LEU CD2 . 50285 1
277 . 1 . 1 119 119 ILE HG21 H 1 1.0749460 . . . . . . . . 231 ILE HG2 . 50285 1
278 . 1 . 1 119 119 ILE HG22 H 1 1.0749460 . . . . . . . . 231 ILE HG2 . 50285 1
279 . 1 . 1 119 119 ILE HG23 H 1 1.0749460 . . . . . . . . 231 ILE HG2 . 50285 1
280 . 1 . 1 119 119 ILE HD11 H 1 0.8909222 . . . . . . . . 231 ILE HD1 . 50285 1
281 . 1 . 1 119 119 ILE HD12 H 1 0.8909222 . . . . . . . . 231 ILE HD1 . 50285 1
282 . 1 . 1 119 119 ILE HD13 H 1 0.8909222 . . . . . . . . 231 ILE HD1 . 50285 1
283 . 1 . 1 119 119 ILE CG2 C 13 18.8326600 . . . . . . . . 231 ILE CG2 . 50285 1
284 . 1 . 1 119 119 ILE CD1 C 13 14.6811000 . . . . . . . . 231 ILE CD1 . 50285 1
285 . 1 . 1 122 122 LEU HD11 H 1 -0.3874504 . . . . . . . . 234 LEU HD1 . 50285 1
286 . 1 . 1 122 122 LEU HD12 H 1 -0.3874504 . . . . . . . . 234 LEU HD1 . 50285 1
287 . 1 . 1 122 122 LEU HD13 H 1 -0.3874504 . . . . . . . . 234 LEU HD1 . 50285 1
288 . 1 . 1 122 122 LEU HD21 H 1 0.5374208 . . . . . . . . 234 LEU HD2 . 50285 1
289 . 1 . 1 122 122 LEU HD22 H 1 0.5374208 . . . . . . . . 234 LEU HD2 . 50285 1
290 . 1 . 1 122 122 LEU HD23 H 1 0.5374208 . . . . . . . . 234 LEU HD2 . 50285 1
291 . 1 . 1 122 122 LEU CD1 C 13 21.6181200 . . . . . . . . 234 LEU CD1 . 50285 1
292 . 1 . 1 122 122 LEU CD2 C 13 26.3126400 . . . . . . . . 234 LEU CD2 . 50285 1
293 . 1 . 1 124 124 ILE HG21 H 1 0.8764908 . . . . . . . . 236 ILE HG2 . 50285 1
294 . 1 . 1 124 124 ILE HG22 H 1 0.8764908 . . . . . . . . 236 ILE HG2 . 50285 1
295 . 1 . 1 124 124 ILE HG23 H 1 0.8764908 . . . . . . . . 236 ILE HG2 . 50285 1
296 . 1 . 1 124 124 ILE HD11 H 1 0.8765507 . . . . . . . . 236 ILE HD1 . 50285 1
297 . 1 . 1 124 124 ILE HD12 H 1 0.8765507 . . . . . . . . 236 ILE HD1 . 50285 1
298 . 1 . 1 124 124 ILE HD13 H 1 0.8765507 . . . . . . . . 236 ILE HD1 . 50285 1
299 . 1 . 1 124 124 ILE CG2 C 13 18.2538900 . . . . . . . . 236 ILE CG2 . 50285 1
300 . 1 . 1 124 124 ILE CD1 C 13 15.5686700 . . . . . . . . 236 ILE CD1 . 50285 1
301 . 1 . 1 128 128 ILE HG21 H 1 0.7840077 . . . . . . . . 240 ILE HG2 . 50285 1
302 . 1 . 1 128 128 ILE HG22 H 1 0.7840077 . . . . . . . . 240 ILE HG2 . 50285 1
303 . 1 . 1 128 128 ILE HG23 H 1 0.7840077 . . . . . . . . 240 ILE HG2 . 50285 1
304 . 1 . 1 128 128 ILE HD11 H 1 0.6629615 . . . . . . . . 240 ILE HD1 . 50285 1
305 . 1 . 1 128 128 ILE HD12 H 1 0.6629615 . . . . . . . . 240 ILE HD1 . 50285 1
306 . 1 . 1 128 128 ILE HD13 H 1 0.6629615 . . . . . . . . 240 ILE HD1 . 50285 1
307 . 1 . 1 128 128 ILE CG2 C 13 19.2898900 . . . . . . . . 240 ILE CG2 . 50285 1
308 . 1 . 1 128 128 ILE CD1 C 13 13.8130100 . . . . . . . . 240 ILE CD1 . 50285 1
309 . 1 . 1 130 130 LEU HD11 H 1 0.4858569 . . . . . . . . 242 LEU HD1 . 50285 1
310 . 1 . 1 130 130 LEU HD12 H 1 0.4858569 . . . . . . . . 242 LEU HD1 . 50285 1
311 . 1 . 1 130 130 LEU HD13 H 1 0.4858569 . . . . . . . . 242 LEU HD1 . 50285 1
312 . 1 . 1 130 130 LEU HD21 H 1 0.8440461 . . . . . . . . 242 LEU HD2 . 50285 1
313 . 1 . 1 130 130 LEU HD22 H 1 0.8440461 . . . . . . . . 242 LEU HD2 . 50285 1
314 . 1 . 1 130 130 LEU HD23 H 1 0.8440461 . . . . . . . . 242 LEU HD2 . 50285 1
315 . 1 . 1 130 130 LEU CD1 C 13 27.0922400 . . . . . . . . 242 LEU CD1 . 50285 1
316 . 1 . 1 130 130 LEU CD2 C 13 26.4316700 . . . . . . . . 242 LEU CD2 . 50285 1
317 . 1 . 1 131 131 THR HG21 H 1 1.0727900 . . . . . . . . 243 THR HG2 . 50285 1
318 . 1 . 1 131 131 THR HG22 H 1 1.0727900 . . . . . . . . 243 THR HG2 . 50285 1
319 . 1 . 1 131 131 THR HG23 H 1 1.0727900 . . . . . . . . 243 THR HG2 . 50285 1
320 . 1 . 1 131 131 THR CG2 C 13 21.7612700 . . . . . . . . 243 THR CG2 . 50285 1
321 . 1 . 1 133 133 ALA HB1 H 1 1.1967620 . . . . . . . . 245 ALA HB . 50285 1
322 . 1 . 1 133 133 ALA HB2 H 1 1.1967620 . . . . . . . . 245 ALA HB . 50285 1
323 . 1 . 1 133 133 ALA HB3 H 1 1.1967620 . . . . . . . . 245 ALA HB . 50285 1
324 . 1 . 1 133 133 ALA CB C 13 21.3002700 . . . . . . . . 245 ALA CB . 50285 1
325 . 1 . 1 136 136 THR HG21 H 1 1.1279000 . . . . . . . . 248 THR HG2 . 50285 1
326 . 1 . 1 136 136 THR HG22 H 1 1.1279000 . . . . . . . . 248 THR HG2 . 50285 1
327 . 1 . 1 136 136 THR HG23 H 1 1.1279000 . . . . . . . . 248 THR HG2 . 50285 1
328 . 1 . 1 136 136 THR CG2 C 13 19.1225400 . . . . . . . . 248 THR CG2 . 50285 1
329 . 1 . 1 137 137 MET HE1 H 1 2.0472620 . . . . . . . . 249 MET HE . 50285 1
330 . 1 . 1 137 137 MET HE2 H 1 2.0472620 . . . . . . . . 249 MET HE . 50285 1
331 . 1 . 1 137 137 MET HE3 H 1 2.0472620 . . . . . . . . 249 MET HE . 50285 1
332 . 1 . 1 137 137 MET CE C 13 15.9324800 . . . . . . . . 249 MET CE . 50285 1
333 . 1 . 1 138 138 ILE HG21 H 1 0.8715772 . . . . . . . . 250 ILE HG2 . 50285 1
334 . 1 . 1 138 138 ILE HG22 H 1 0.8715772 . . . . . . . . 250 ILE HG2 . 50285 1
335 . 1 . 1 138 138 ILE HG23 H 1 0.8715772 . . . . . . . . 250 ILE HG2 . 50285 1
336 . 1 . 1 138 138 ILE HD11 H 1 0.8373467 . . . . . . . . 250 ILE HD1 . 50285 1
337 . 1 . 1 138 138 ILE HD12 H 1 0.8373467 . . . . . . . . 250 ILE HD1 . 50285 1
338 . 1 . 1 138 138 ILE HD13 H 1 0.8373467 . . . . . . . . 250 ILE HD1 . 50285 1
339 . 1 . 1 138 138 ILE CG2 C 13 19.1350700 . . . . . . . . 250 ILE CG2 . 50285 1
340 . 1 . 1 138 138 ILE CD1 C 13 14.5048000 . . . . . . . . 250 ILE CD1 . 50285 1
stop_
save_