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 34588
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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-1H NOESY' . . . 34588 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 1 1 XA H1p H 1 6.293 0.020 . . . . . . . 1 DA H1p . 34588 1
2 . 1 . 1 1 1 XA H2 H 1 7.949 0.020 . . . . . . . 1 DA H2 . 34588 1
3 . 1 . 1 1 1 XA H2p H 1 2.806 0.020 . . . . . . . 1 DA H2p . 34588 1
4 . 1 . 1 1 1 XA H2pp H 1 2.738 0.020 . . . . . . . 1 DA H2pp . 34588 1
5 . 1 . 1 1 1 XA H3p H 1 4.925 0.020 . . . . . . . 1 DA H3p . 34588 1
6 . 1 . 1 1 1 XA H4p H 1 4.364 0.020 . . . . . . . 1 DA H4p . 34588 1
7 . 1 . 1 1 1 XA H8 H 1 7.364 0.020 . . . . . . . 1 DA H8 . 34588 1
8 . 1 . 1 1 1 XA C1p C 13 84.544 0.300 . . . . . . . 1 DA C1p . 34588 1
9 . 1 . 1 1 1 XA C2 C 13 150.741 0.300 . . . . . . . 1 DA C2 . 34588 1
10 . 1 . 1 1 1 XA C4p C 13 84.909 0.300 . . . . . . . 1 DA C4p . 34588 1
11 . 1 . 1 2 2 XG H1 H 1 13.413 0.020 . . . . . . . 2 DG H1 . 34588 1
12 . 1 . 1 2 2 XG H1p H 1 5.776 0.020 . . . . . . . 2 DG H1p . 34588 1
13 . 1 . 1 2 2 XG H2p H 1 2.589 0.020 . . . . . . . 2 DG H2p . 34588 1
14 . 1 . 1 2 2 XG H2pp H 1 2.093 0.020 . . . . . . . 2 DG H2pp . 34588 1
15 . 1 . 1 2 2 XG H4p H 1 4.368 0.020 . . . . . . . 2 DG H4p . 34588 1
16 . 1 . 1 2 2 XG H5p H 1 4.050 0.020 . . . . . . . 2 DG H5p . 34588 1
17 . 1 . 1 2 2 XG H5pp H 1 3.988 0.020 . . . . . . . 2 DG H5pp . 34588 1
18 . 1 . 1 2 2 XG H8 H 1 8.257 0.020 . . . . . . . 2 DG H8 . 34588 1
19 . 1 . 1 2 2 XG C1p C 13 86.203 0.300 . . . . . . . 2 DG C1p . 34588 1
20 . 1 . 1 2 2 XG C5p C 13 59.720 0.300 . . . . . . . 2 DG C5p . 34588 1
21 . 1 . 1 2 2 XG C8 C 13 139.700 0.300 . . . . . . . 2 DG C8 . 34588 1
22 . 1 . 1 3 3 XC H1p H 1 5.841 0.020 . . . . . . . 3 DC H1p . 34588 1
23 . 1 . 1 3 3 XC H3p H 1 4.645 0.020 . . . . . . . 3 DC H3p . 34588 1
24 . 1 . 1 3 3 XC H4p H 1 3.816 0.020 . . . . . . . 3 DC H4p . 34588 1
25 . 1 . 1 3 3 XC H5 H 1 5.917 0.020 . . . . . . . 3 DC H5 . 34588 1
26 . 1 . 1 3 3 XC H5p H 1 3.694 0.020 . . . . . . . 3 DC H5p . 34588 1
27 . 1 . 1 3 3 XC H5pp H 1 2.172 0.020 . . . . . . . 3 DC H5pp . 34588 1
28 . 1 . 1 3 3 XC H6 H 1 7.346 0.020 . . . . . . . 3 DC H6 . 34588 1
29 . 1 . 1 3 3 XC H41 H 1 8.208 0.020 . . . . . . . 3 DC H41 . 34588 1
30 . 1 . 1 3 3 XC H42 H 1 7.094 0.020 . . . . . . . 3 DC H42 . 34588 1
31 . 1 . 1 3 3 XC C1p C 13 86.023 0.300 . . . . . . . 3 DC C1p . 34588 1
32 . 1 . 1 3 3 XC C5 C 13 95.306 0.300 . . . . . . . 3 DC C5 . 34588 1
33 . 1 . 1 3 3 XC C5p C 13 59.464 0.300 . . . . . . . 3 DC C5p . 34588 1
34 . 1 . 1 3 3 XC C6 C 13 140.266 0.300 . . . . . . . 3 DC C6 . 34588 1
35 . 1 . 1 4 4 XA H1p H 1 6.377 0.020 . . . . . . . 4 DA H1p . 34588 1
36 . 1 . 1 4 4 XA H2 H 1 7.924 0.020 . . . . . . . 4 DA H2 . 34588 1
37 . 1 . 1 4 4 XA H2p H 1 2.646 0.020 . . . . . . . 4 DA H2p . 34588 1
38 . 1 . 1 4 4 XA H2pp H 1 2.587 0.020 . . . . . . . 4 DA H2pp . 34588 1
39 . 1 . 1 4 4 XA H3p H 1 4.822 0.020 . . . . . . . 4 DA H3p . 34588 1
40 . 1 . 1 4 4 XA H4p H 1 4.340 0.020 . . . . . . . 4 DA H4p . 34588 1
41 . 1 . 1 4 4 XA H5p H 1 4.203 0.020 . . . . . . . 4 DA H5p . 34588 1
42 . 1 . 1 4 4 XA H5pp H 1 3.816 0.020 . . . . . . . 4 DA H5pp . 34588 1
43 . 1 . 1 4 4 XA H8 H 1 7.961 0.020 . . . . . . . 4 DA H8 . 34588 1
44 . 1 . 1 4 4 XA C1p C 13 85.969 0.300 . . . . . . . 4 DA C1p . 34588 1
45 . 1 . 1 4 4 XA C2 C 13 149.796 0.300 . . . . . . . 4 DA C2 . 34588 1
46 . 1 . 1 4 4 XA C5p C 13 62.482 0.300 . . . . . . . 4 DA C5p . 34588 1
47 . 1 . 1 4 4 XA C8 C 13 139.147 0.300 . . . . . . . 4 DA C8 . 34588 1
48 . 1 . 1 5 5 XA H1p H 1 5.942 0.020 . . . . . . . 5 DA H1p . 34588 1
49 . 1 . 1 5 5 XA H2 H 1 8.226 0.020 . . . . . . . 5 DA H2 . 34588 1
50 . 1 . 1 5 5 XA H2p H 1 2.569 0.020 . . . . . . . 5 DA H2p . 34588 1
51 . 1 . 1 5 5 XA H2pp H 1 2.380 0.020 . . . . . . . 5 DA H2pp . 34588 1
52 . 1 . 1 5 5 XA H3p H 1 4.672 0.020 . . . . . . . 5 DA H3p . 34588 1
53 . 1 . 1 5 5 XA H4p H 1 4.000 0.020 . . . . . . . 5 DA H4p . 34588 1
54 . 1 . 1 5 5 XA H5p H 1 3.867 0.020 . . . . . . . 5 DA H5p . 34588 1
55 . 1 . 1 5 5 XA H5pp H 1 3.043 0.020 . . . . . . . 5 DA H5pp . 34588 1
56 . 1 . 1 5 5 XA H8 H 1 7.582 0.020 . . . . . . . 5 DA H8 . 34588 1
57 . 1 . 1 5 5 XA C1p C 13 85.843 0.300 . . . . . . . 5 DA C1p . 34588 1
58 . 1 . 1 5 5 XA C2 C 13 151.035 0.300 . . . . . . . 5 DA C2 . 34588 1
59 . 1 . 1 5 5 XA C5p C 13 61.795 0.300 . . . . . . . 5 DA C5p . 34588 1
60 . 1 . 1 5 5 XA C8 C 13 139.033 0.300 . . . . . . . 5 DA C8 . 34588 1
61 . 1 . 1 6 6 XT H1p H 1 5.674 0.020 . . . . . . . 6 DT H1p . 34588 1
62 . 1 . 1 6 6 XT H2p H 1 2.491 0.020 . . . . . . . 6 DT H2p . 34588 1
63 . 1 . 1 6 6 XT H3 H 1 14.435 0.020 . . . . . . . 6 DT H3 . 34588 1
64 . 1 . 1 6 6 XT H3p H 1 4.589 0.020 . . . . . . . 6 DT H3p . 34588 1
65 . 1 . 1 6 6 XT H4p H 1 3.801 0.020 . . . . . . . 6 DT H4p . 34588 1
66 . 1 . 1 6 6 XT H5p H 1 3.637 0.020 . . . . . . . 6 DT H5p . 34588 1
67 . 1 . 1 6 6 XT H5pp H 1 2.267 0.020 . . . . . . . 6 DT H5pp . 34588 1
68 . 1 . 1 6 6 XT H6 H 1 7.021 0.020 . . . . . . . 6 DT H6 . 34588 1
69 . 1 . 1 6 6 XT H71 H 1 1.912 0.020 . . . . . . . 6 DT H7 . 34588 1
70 . 1 . 1 6 6 XT H72 H 1 1.912 0.020 . . . . . . . 6 DT H7 . 34588 1
71 . 1 . 1 6 6 XT H73 H 1 1.912 0.020 . . . . . . . 6 DT H7 . 34588 1
72 . 1 . 1 6 6 XT C1p C 13 86.131 0.300 . . . . . . . 6 DT C1p . 34588 1
73 . 1 . 1 6 6 XT C3p C 13 74.150 0.300 . . . . . . . 6 DT C3p . 34588 1
74 . 1 . 1 6 6 XT C5p C 13 60.108 0.300 . . . . . . . 6 DT C5p . 34588 1
75 . 1 . 1 6 6 XT C6 C 13 137.405 0.300 . . . . . . . 6 DT C6 . 34588 1
76 . 1 . 1 7 7 XC H1p H 1 5.740 0.020 . . . . . . . 7 DC H1p . 34588 1
77 . 1 . 1 7 7 XC H2p H 1 2.479 0.020 . . . . . . . 7 DC H2p . 34588 1
78 . 1 . 1 7 7 XC H2pp H 1 2.441 0.020 . . . . . . . 7 DC H2pp . 34588 1
79 . 1 . 1 7 7 XC H3p H 1 4.693 0.020 . . . . . . . 7 DC H3p . 34588 1
80 . 1 . 1 7 7 XC H5 H 1 5.840 0.020 . . . . . . . 7 DC H5 . 34588 1
81 . 1 . 1 7 7 XC H5p H 1 4.144 0.020 . . . . . . . 7 DC H5p . 34588 1
82 . 1 . 1 7 7 XC H5pp H 1 3.584 0.020 . . . . . . . 7 DC H5pp . 34588 1
83 . 1 . 1 7 7 XC H6 H 1 7.444 0.020 . . . . . . . 7 DC H6 . 34588 1
84 . 1 . 1 7 7 XC H41 H 1 8.267 0.020 . . . . . . . 7 DC H41 . 34588 1
85 . 1 . 1 7 7 XC H42 H 1 6.965 0.020 . . . . . . . 7 DC H42 . 34588 1
86 . 1 . 1 7 7 XC C1p C 13 86.554 0.300 . . . . . . . 7 DC C1p . 34588 1
87 . 1 . 1 7 7 XC C5 C 13 95.198 0.300 . . . . . . . 7 DC C5 . 34588 1
88 . 1 . 1 7 7 XC C5p C 13 61.975 0.300 . . . . . . . 7 DC C5p . 34588 1
89 . 1 . 1 8 8 XC H1p H 1 5.756 0.020 . . . . . . . 8 DC H1p . 34588 1
90 . 1 . 1 8 8 XC H2p H 1 2.434 0.020 . . . . . . . 8 DC H2p . 34588 1
91 . 1 . 1 8 8 XC H3p H 1 4.654 0.020 . . . . . . . 8 DC H3p . 34588 1
92 . 1 . 1 8 8 XC H4p H 1 4.224 0.020 . . . . . . . 8 DC H4p . 34588 1
93 . 1 . 1 8 8 XC H5 H 1 5.777 0.020 . . . . . . . 8 DC H5 . 34588 1
94 . 1 . 1 8 8 XC H5p H 1 4.075 0.020 . . . . . . . 8 DC H5p . 34588 1
95 . 1 . 1 8 8 XC H5pp H 1 3.739 0.020 . . . . . . . 8 DC H5pp . 34588 1
96 . 1 . 1 8 8 XC H6 H 1 7.383 0.020 . . . . . . . 8 DC H6 . 34588 1
97 . 1 . 1 8 8 XC C5 C 13 94.865 0.300 . . . . . . . 8 DC C5 . 34588 1
98 . 1 . 1 8 8 XC C5p C 13 62.728 0.300 . . . . . . . 8 DC C5p . 34588 1
99 . 1 . 1 8 8 XC C6 C 13 140.533 0.300 . . . . . . . 8 DC C6 . 34588 1
100 . 1 . 1 9 9 XC H1p H 1 5.814 0.020 . . . . . . . 9 DC H1p . 34588 1
101 . 1 . 1 9 9 XC H2pp H 1 2.128 0.020 . . . . . . . 9 DC H2pp . 34588 1
102 . 1 . 1 9 9 XC H3p H 1 4.660 0.020 . . . . . . . 9 DC H3p . 34588 1
103 . 1 . 1 9 9 XC H4p H 1 3.596 0.020 . . . . . . . 9 DC H4p . 34588 1
104 . 1 . 1 9 9 XC H5 H 1 5.619 0.020 . . . . . . . 9 DC H5 . 34588 1
105 . 1 . 1 9 9 XC H5p H 1 3.984 0.020 . . . . . . . 9 DC H5p . 34588 1
106 . 1 . 1 9 9 XC H5pp H 1 3.454 0.020 . . . . . . . 9 DC H5pp . 34588 1
107 . 1 . 1 9 9 XC H6 H 1 7.428 0.020 . . . . . . . 9 DC H6 . 34588 1
108 . 1 . 1 9 9 XC C3p C 13 73.894 0.300 . . . . . . . 9 DC C3p . 34588 1
109 . 1 . 1 9 9 XC C5 C 13 94.440 0.300 . . . . . . . 9 DC C5 . 34588 1
110 . 1 . 1 9 9 XC C5p C 13 61.583 0.300 . . . . . . . 9 DC C5p . 34588 1
111 . 1 . 1 9 9 XC C6 C 13 140.266 0.300 . . . . . . . 9 DC C6 . 34588 1
112 . 1 . 1 10 10 XC H1p H 1 5.990 0.020 . . . . . . . 10 DC H1p . 34588 1
113 . 1 . 1 10 10 XC H2p H 1 2.577 0.020 . . . . . . . 10 DC H2p . 34588 1
114 . 1 . 1 10 10 XC H2pp H 1 2.217 0.020 . . . . . . . 10 DC H2pp . 34588 1
115 . 1 . 1 10 10 XC H5 H 1 5.961 0.020 . . . . . . . 10 DC H5 . 34588 1
116 . 1 . 1 10 10 XC H5p H 1 3.855 0.020 . . . . . . . 10 DC H5p . 34588 1
117 . 1 . 1 10 10 XC H5pp H 1 3.599 0.020 . . . . . . . 10 DC H5pp . 34588 1
118 . 1 . 1 10 10 XC H6 H 1 7.578 0.020 . . . . . . . 10 DC H6 . 34588 1
119 . 1 . 1 10 10 XC C5 C 13 95.875 0.300 . . . . . . . 10 DC C5 . 34588 1
120 . 1 . 1 10 10 XC C5p C 13 64.559 0.300 . . . . . . . 10 DC C5p . 34588 1
121 . 1 . 1 10 10 XC C6 C 13 141.042 0.300 . . . . . . . 10 DC C6 . 34588 1
122 . 1 . 1 11 11 XC H1p H 1 6.059 0.020 . . . . . . . 11 DC H1p . 34588 1
123 . 1 . 1 11 11 XC H2p H 1 2.723 0.020 . . . . . . . 11 DC H2p . 34588 1
124 . 1 . 1 11 11 XC H2pp H 1 2.296 0.020 . . . . . . . 11 DC H2pp . 34588 1
125 . 1 . 1 11 11 XC H3p H 1 4.807 0.020 . . . . . . . 11 DC H3p . 34588 1
126 . 1 . 1 11 11 XC H5 H 1 5.994 0.020 . . . . . . . 11 DC H5 . 34588 1
127 . 1 . 1 11 11 XC H5p H 1 4.131 0.020 . . . . . . . 11 DC H5p . 34588 1
128 . 1 . 1 11 11 XC H5pp H 1 3.947 0.020 . . . . . . . 11 DC H5pp . 34588 1
129 . 1 . 1 11 11 XC H6 H 1 7.745 0.020 . . . . . . . 11 DC H6 . 34588 1
130 . 1 . 1 11 11 XC C5 C 13 95.894 0.300 . . . . . . . 11 DC C5 . 34588 1
131 . 1 . 1 11 11 XC C5p C 13 64.173 0.300 . . . . . . . 11 DC C5p . 34588 1
132 . 1 . 1 11 11 XC C6 C 13 141.525 0.300 . . . . . . . 11 DC C6 . 34588 1
133 . 1 . 1 12 12 XC H1p H 1 6.170 0.020 . . . . . . . 12 DC H1p . 34588 1
134 . 1 . 1 12 12 XC H2p H 1 2.756 0.020 . . . . . . . 12 DC H2p . 34588 1
135 . 1 . 1 12 12 XC H2pp H 1 2.549 0.020 . . . . . . . 12 DC H2pp . 34588 1
136 . 1 . 1 12 12 XC H3p H 1 4.897 0.020 . . . . . . . 12 DC H3p . 34588 1
137 . 1 . 1 12 12 XC H4p H 1 4.359 0.020 . . . . . . . 12 DC H4p . 34588 1
138 . 1 . 1 12 12 XC H5 H 1 6.182 0.020 . . . . . . . 12 DC H5 . 34588 1
139 . 1 . 1 12 12 XC H5p H 1 4.321 0.020 . . . . . . . 12 DC H5p . 34588 1
140 . 1 . 1 12 12 XC H5pp H 1 4.161 0.020 . . . . . . . 12 DC H5pp . 34588 1
141 . 1 . 1 12 12 XC H6 H 1 7.841 0.020 . . . . . . . 12 DC H6 . 34588 1
142 . 1 . 1 12 12 XC C2p C 13 39.096 0.300 . . . . . . . 12 DC C2p . 34588 1
143 . 1 . 1 12 12 XC C5 C 13 95.933 0.300 . . . . . . . 12 DC C5 . 34588 1
144 . 1 . 1 12 12 XC C5p C 13 64.901 0.300 . . . . . . . 12 DC C5p . 34588 1
145 . 1 . 1 12 12 XC C6 C 13 141.360 0.300 . . . . . . . 12 DC C6 . 34588 1
146 . 1 . 1 13 13 XG H1p H 1 5.848 0.020 . . . . . . . 13 DG H1p . 34588 1
147 . 1 . 1 13 13 XG H8 H 1 7.582 0.020 . . . . . . . 13 DG H8 . 34588 1
148 . 1 . 1 13 13 XG C8 C 13 139.230 0.300 . . . . . . . 13 DG C8 . 34588 1
149 . 1 . 1 14 14 XG H1p H 1 5.838 0.020 . . . . . . . 14 DG H1p . 34588 1
150 . 1 . 1 14 14 XG H3p H 1 4.740 0.020 . . . . . . . 14 DG H3p . 34588 1
151 . 1 . 1 14 14 XG H4p H 1 3.980 0.020 . . . . . . . 14 DG H4p . 34588 1
152 . 1 . 1 14 14 XG H5p H 1 4.079 0.020 . . . . . . . 14 DG H5p . 34588 1
153 . 1 . 1 14 14 XG H5pp H 1 3.705 0.020 . . . . . . . 14 DG H5pp . 34588 1
154 . 1 . 1 14 14 XG H8 H 1 7.100 0.020 . . . . . . . 14 DG H8 . 34588 1
155 . 1 . 1 14 14 XG C5p C 13 63.719 0.300 . . . . . . . 14 DG C5p . 34588 1
156 . 1 . 1 14 14 XG C8 C 13 135.297 0.300 . . . . . . . 14 DG C8 . 34588 1
157 . 1 . 1 15 15 XA H1p H 1 6.259 0.020 . . . . . . . 15 DA H1p . 34588 1
158 . 1 . 1 15 15 XA H2 H 1 8.159 0.020 . . . . . . . 15 DA H2 . 34588 1
159 . 1 . 1 15 15 XA H2p H 1 2.652 0.020 . . . . . . . 15 DA H2p . 34588 1
160 . 1 . 1 15 15 XA H2pp H 1 2.378 0.020 . . . . . . . 15 DA H2pp . 34588 1
161 . 1 . 1 15 15 XA H3p H 1 4.773 0.020 . . . . . . . 15 DA H3p . 34588 1
162 . 1 . 1 15 15 XA H4p H 1 4.233 0.020 . . . . . . . 15 DA H4p . 34588 1
163 . 1 . 1 15 15 XA H5p H 1 4.050 0.020 . . . . . . . 15 DA H5p . 34588 1
164 . 1 . 1 15 15 XA H5pp H 1 3.421 0.020 . . . . . . . 15 DA H5pp . 34588 1
165 . 1 . 1 15 15 XA H8 H 1 7.782 0.020 . . . . . . . 15 DA H8 . 34588 1
166 . 1 . 1 15 15 XA C1p C 13 86.005 0.300 . . . . . . . 15 DA C1p . 34588 1
167 . 1 . 1 15 15 XA C5p C 13 62.184 0.300 . . . . . . . 15 DA C5p . 34588 1
168 . 1 . 1 15 15 XA C8 C 13 138.556 0.300 . . . . . . . 15 DA C8 . 34588 1
169 . 1 . 1 16 16 XT H1p H 1 5.590 0.020 . . . . . . . 16 DT H1p . 34588 1
170 . 1 . 1 16 16 XT H2p H 1 2.433 0.020 . . . . . . . 16 DT H2p . 34588 1
171 . 1 . 1 16 16 XT H2pp H 1 2.492 0.020 . . . . . . . 16 DT H2pp . 34588 1
172 . 1 . 1 16 16 XT H3 H 1 14.721 0.020 . . . . . . . 16 DT H3 . 34588 1
173 . 1 . 1 16 16 XT H3p H 1 4.601 0.020 . . . . . . . 16 DT H3p . 34588 1
174 . 1 . 1 16 16 XT H4p H 1 3.830 0.020 . . . . . . . 16 DT H4p . 34588 1
175 . 1 . 1 16 16 XT H5p H 1 3.703 0.020 . . . . . . . 16 DT H5p . 34588 1
176 . 1 . 1 16 16 XT H5pp H 1 2.349 0.020 . . . . . . . 16 DT H5pp . 34588 1
177 . 1 . 1 16 16 XT H6 H 1 6.968 0.020 . . . . . . . 16 DT H6 . 34588 1
178 . 1 . 1 16 16 XT H71 H 1 1.923 0.020 . . . . . . . 16 DT H7 . 34588 1
179 . 1 . 1 16 16 XT H72 H 1 1.923 0.020 . . . . . . . 16 DT H7 . 34588 1
180 . 1 . 1 16 16 XT H73 H 1 1.923 0.020 . . . . . . . 16 DT H7 . 34588 1
181 . 1 . 1 16 16 XT C1p C 13 86.428 0.300 . . . . . . . 16 DT C1p . 34588 1
182 . 1 . 1 16 16 XT C3p C 13 73.188 0.300 . . . . . . . 16 DT C3p . 34588 1
183 . 1 . 1 16 16 XT C5p C 13 60.169 0.300 . . . . . . . 16 DT C5p . 34588 1
184 . 1 . 1 16 16 XT C6 C 13 137.203 0.300 . . . . . . . 16 DT C6 . 34588 1
185 . 1 . 1 17 17 XT H1p H 1 5.778 0.020 . . . . . . . 17 DT H1p . 34588 1
186 . 1 . 1 17 17 XT H3 H 1 13.293 0.020 . . . . . . . 17 DT H3 . 34588 1
187 . 1 . 1 17 17 XT H3p H 1 4.726 0.020 . . . . . . . 17 DT H3p . 34588 1
188 . 1 . 1 17 17 XT H5p H 1 4.159 0.020 . . . . . . . 17 DT H5p . 34588 1
189 . 1 . 1 17 17 XT H5pp H 1 3.467 0.020 . . . . . . . 17 DT H5pp . 34588 1
190 . 1 . 1 17 17 XT H6 H 1 7.170 0.020 . . . . . . . 17 DT H6 . 34588 1
191 . 1 . 1 17 17 XT H71 H 1 1.923 0.020 . . . . . . . 17 DT H7 . 34588 1
192 . 1 . 1 17 17 XT H72 H 1 1.923 0.020 . . . . . . . 17 DT H7 . 34588 1
193 . 1 . 1 17 17 XT H73 H 1 1.923 0.020 . . . . . . . 17 DT H7 . 34588 1
194 . 1 . 1 17 17 XT C1p C 13 85.987 0.300 . . . . . . . 17 DT C1p . 34588 1
195 . 1 . 1 17 17 XT C5p C 13 61.243 0.300 . . . . . . . 17 DT C5p . 34588 1
196 . 1 . 1 17 17 XT C6 C 13 137.375 0.300 . . . . . . . 17 DT C6 . 34588 1
197 . 1 . 1 18 18 XG H1 H 1 13.157 0.020 . . . . . . . 18 DG H1 . 34588 1
198 . 1 . 1 18 18 XG H1p H 1 5.848 0.020 . . . . . . . 18 DG H1p . 34588 1
199 . 1 . 1 18 18 XG H2p H 1 2.538 0.020 . . . . . . . 18 DG H2p . 34588 1
200 . 1 . 1 18 18 XG H3p H 1 4.733 0.020 . . . . . . . 18 DG H3p . 34588 1
201 . 1 . 1 18 18 XG H4p H 1 4.238 0.020 . . . . . . . 18 DG H4p . 34588 1
202 . 1 . 1 18 18 XG H5p H 1 4.146 0.020 . . . . . . . 18 DG H5p . 34588 1
203 . 1 . 1 18 18 XG H5pp H 1 3.858 0.020 . . . . . . . 18 DG H5pp . 34588 1
204 . 1 . 1 18 18 XG H8 H 1 7.489 0.020 . . . . . . . 18 DG H8 . 34588 1
205 . 1 . 1 18 18 XG C1p C 13 85.681 0.300 . . . . . . . 18 DG C1p . 34588 1
206 . 1 . 1 18 18 XG C5p C 13 62.893 0.300 . . . . . . . 18 DG C5p . 34588 1
207 . 1 . 1 18 18 XG C8 C 13 135.924 0.300 . . . . . . . 18 DG C8 . 34588 1
208 . 1 . 1 19 19 XC H1p H 1 5.666 0.020 . . . . . . . 19 DC H1p . 34588 1
209 . 1 . 1 19 19 XC H2p H 1 2.482 0.020 . . . . . . . 19 DC H2p . 34588 1
210 . 1 . 1 19 19 XC H3p H 1 4.636 0.020 . . . . . . . 19 DC H3p . 34588 1
211 . 1 . 1 19 19 XC H4p H 1 4.404 0.020 . . . . . . . 19 DC H4p . 34588 1
212 . 1 . 1 19 19 XC H5 H 1 5.830 0.020 . . . . . . . 19 DC H5 . 34588 1
213 . 1 . 1 19 19 XC H5p H 1 4.104 0.020 . . . . . . . 19 DC H5p . 34588 1
214 . 1 . 1 19 19 XC H5pp H 1 3.848 0.020 . . . . . . . 19 DC H5pp . 34588 1
215 . 1 . 1 19 19 XC H6 H 1 7.195 0.020 . . . . . . . 19 DC H6 . 34588 1
216 . 1 . 1 19 19 XC H41 H 1 8.416 0.020 . . . . . . . 19 DC H41 . 34588 1
217 . 1 . 1 19 19 XC H42 H 1 7.175 0.020 . . . . . . . 19 DC H42 . 34588 1
218 . 1 . 1 19 19 XC C1p C 13 86.626 0.300 . . . . . . . 19 DC C1p . 34588 1
219 . 1 . 1 19 19 XC C3p C 13 73.257 0.300 . . . . . . . 19 DC C3p . 34588 1
220 . 1 . 1 19 19 XC C5 C 13 95.135 0.300 . . . . . . . 19 DC C5 . 34588 1
221 . 1 . 1 19 19 XC C5p C 13 62.762 0.300 . . . . . . . 19 DC C5p . 34588 1
222 . 1 . 1 19 19 XC C6 C 13 140.254 0.300 . . . . . . . 19 DC C6 . 34588 1
223 . 1 . 1 20 20 XT H1p H 1 5.834 0.020 . . . . . . . 20 DT H1p . 34588 1
224 . 1 . 1 20 20 XT H2p H 1 2.590 0.020 . . . . . . . 20 DT H2p . 34588 1
225 . 1 . 1 20 20 XT H2pp H 1 2.086 0.020 . . . . . . . 20 DT H2pp . 34588 1
226 . 1 . 1 20 20 XT H3p H 1 4.408 0.020 . . . . . . . 20 DT H3p . 34588 1
227 . 1 . 1 20 20 XT H6 H 1 7.364 0.020 . . . . . . . 20 DT H6 . 34588 1
228 . 1 . 1 20 20 XT H71 H 1 1.765 0.020 . . . . . . . 20 DT H7 . 34588 1
229 . 1 . 1 20 20 XT H72 H 1 1.765 0.020 . . . . . . . 20 DT H7 . 34588 1
230 . 1 . 1 20 20 XT H73 H 1 1.765 0.020 . . . . . . . 20 DT H7 . 34588 1
231 . 1 . 1 20 20 XT C1p C 13 86.221 0.300 . . . . . . . 20 DT C1p . 34588 1
232 . 1 . 1 20 20 XT C3p C 13 68.446 0.300 . . . . . . . 20 DT C3p . 34588 1
233 . 1 . 1 20 20 XT C6 C 13 136.674 0.300 . . . . . . . 20 DT C6 . 34588 1
stop_
save_