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 34735
_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' . . . 34735 1
2 '2D 1H-1H TOCSY' . . . 34735 1
3 '2D DQF-COSY' . . . 34735 1
4 '2D 1H-19F HOESY' . . . 34735 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 DT H1' H 1 6.182 . . . . . . . A 1 DT H1' . 34735 1
2 . 1 . 1 1 1 DT H2' H 1 2.313 . . . . . . . A 1 DT H2' . 34735 1
3 . 1 . 1 1 1 DT H2'' H 1 2.645 . . . . . . . A 1 DT H2'' . 34735 1
4 . 1 . 1 1 1 DT H3' H 1 4.778 . . . . . . . A 1 DT H3' . 34735 1
5 . 1 . 1 1 1 DT H5' H 1 3.803 . . . . . . . A 1 DT H5' . 34735 1
6 . 1 . 1 1 1 DT H5'' H 1 3.803 . . . . . . . A 1 DT H5'' . 34735 1
7 . 1 . 1 1 1 DT H6 H 1 7.643 . . . . . . . A 1 DT H6 . 34735 1
8 . 1 . 1 1 1 DT H71 H 1 1.805 . . . . . . . A 1 DT H71 . 34735 1
9 . 1 . 1 1 1 DT H72 H 1 1.805 . . . . . . . A 1 DT H72 . 34735 1
10 . 1 . 1 1 1 DT H73 H 1 1.805 . . . . . . . A 1 DT H73 . 34735 1
11 . 1 . 1 2 2 CFL H1' H 1 6.331 . . . . . . . A 2 CFL H1' . 34735 1
12 . 1 . 1 2 2 CFL H2' H 1 5.227 . . . . . . . A 2 CFL H2' . 34735 1
13 . 1 . 1 2 2 CFL H3' H 1 4.947 . . . . . . . A 2 CFL H3' . 34735 1
14 . 1 . 1 2 2 CFL H4' H 1 4.194 . . . . . . . A 2 CFL H4' . 34735 1
15 . 1 . 1 2 2 CFL H5 H 1 6.027 . . . . . . . A 2 CFL H5 . 34735 1
16 . 1 . 1 2 2 CFL H5'1 H 1 4.191 . . . . . . . A 2 CFL H5'1 . 34735 1
17 . 1 . 1 2 2 CFL H5'2 H 1 4.191 . . . . . . . A 2 CFL H5'2 . 34735 1
18 . 1 . 1 2 2 CFL H6 H 1 7.668 . . . . . . . A 2 CFL H6 . 34735 1
19 . 1 . 1 2 2 CFL F F 19 -194.537 . . . . . . . A 2 CFL F . 34735 1
20 . 1 . 1 2 2 CFL HN41 H 1 8.758 . . . . . . . A 2 CFL HN41 . 34735 1
21 . 1 . 1 2 2 CFL HN42 H 1 9.244 . . . . . . . A 2 CFL HN42 . 34735 1
22 . 1 . 1 3 3 CFL H1' H 1 6.414 . . . . . . . A 3 CFL H1' . 34735 1
23 . 1 . 1 3 3 CFL H2' H 1 5.724 . . . . . . . A 3 CFL H2' . 34735 1
24 . 1 . 1 3 3 CFL H3' H 1 4.915 . . . . . . . A 3 CFL H3' . 34735 1
25 . 1 . 1 3 3 CFL H4' H 1 4.364 . . . . . . . A 3 CFL H4' . 34735 1
26 . 1 . 1 3 3 CFL H5 H 1 5.935 . . . . . . . A 3 CFL H5 . 34735 1
27 . 1 . 1 3 3 CFL H5'1 H 1 4.171 . . . . . . . A 3 CFL H5'1 . 34735 1
28 . 1 . 1 3 3 CFL H5'2 H 1 4.171 . . . . . . . A 3 CFL H5'2 . 34735 1
29 . 1 . 1 3 3 CFL H6 H 1 7.577 . . . . . . . A 3 CFL H6 . 34735 1
30 . 1 . 1 3 3 CFL F F 19 -189.286 . . . . . . . A 3 CFL F . 34735 1
31 . 1 . 1 3 3 CFL HN41 H 1 8.392 . . . . . . . A 3 CFL HN41 . 34735 1
32 . 1 . 1 3 3 CFL HN42 H 1 9.232 . . . . . . . A 3 CFL HN42 . 34735 1
33 . 1 . 1 4 4 CFL H1' H 1 6.300 . . . . . . . A 4 CFL H1' . 34735 1
34 . 1 . 1 4 4 CFL H2' H 1 5.133 . . . . . . . A 4 CFL H2' . 34735 1
35 . 1 . 1 4 4 CFL H3' H 1 4.764 . . . . . . . A 4 CFL H3' . 34735 1
36 . 1 . 1 4 4 CFL H4' H 1 4.474 . . . . . . . A 4 CFL H4' . 34735 1
37 . 1 . 1 4 4 CFL H5 H 1 6.071 . . . . . . . A 4 CFL H5 . 34735 1
38 . 1 . 1 4 4 CFL H5'1 H 1 4.084 . . . . . . . A 4 CFL H5'1 . 34735 1
39 . 1 . 1 4 4 CFL H5'2 H 1 4.084 . . . . . . . A 4 CFL H5'2 . 34735 1
40 . 1 . 1 4 4 CFL H6 H 1 7.758 . . . . . . . A 4 CFL H6 . 34735 1
41 . 1 . 1 4 4 CFL F F 19 -201.856 . . . . . . . A 4 CFL F . 34735 1
42 . 1 . 1 4 4 CFL HN41 H 1 8.458 . . . . . . . A 4 CFL HN41 . 34735 1
43 . 1 . 1 4 4 CFL HN42 H 1 8.835 . . . . . . . A 4 CFL HN42 . 34735 1
44 . 1 . 1 5 5 CFL H1' H 1 6.287 . . . . . . . A 5 CFL H1' . 34735 1
45 . 1 . 1 5 5 CFL H2' H 1 5.556 . . . . . . . A 5 CFL H2' . 34735 1
46 . 1 . 1 5 5 CFL H3' H 1 4.623 . . . . . . . A 5 CFL H3' . 34735 1
47 . 1 . 1 5 5 CFL H4' H 1 4.516 . . . . . . . A 5 CFL H4' . 34735 1
48 . 1 . 1 5 5 CFL H5 H 1 6.038 . . . . . . . A 5 CFL H5 . 34735 1
49 . 1 . 1 5 5 CFL H5'1 H 1 4.098 . . . . . . . A 5 CFL H5'1 . 34735 1
50 . 1 . 1 5 5 CFL H5'2 H 1 4.098 . . . . . . . A 5 CFL H5'2 . 34735 1
51 . 1 . 1 5 5 CFL H6 H 1 7.698 . . . . . . . A 5 CFL H6 . 34735 1
52 . 1 . 1 5 5 CFL F F 19 -192.259 . . . . . . . A 5 CFL F . 34735 1
53 . 1 . 1 5 5 CFL HN41 H 1 8.721 . . . . . . . A 5 CFL HN41 . 34735 1
54 . 1 . 1 5 5 CFL HN42 H 1 9.177 . . . . . . . A 5 CFL HN42 . 34735 1
55 . 1 . 1 6 6 CFL H1' H 1 6.570 . . . . . . . A 6 CFL H1' . 34735 1
56 . 1 . 1 6 6 CFL H2' H 1 5.148 . . . . . . . A 6 CFL H2' . 34735 1
57 . 1 . 1 6 6 CFL H3' H 1 4.498 . . . . . . . A 6 CFL H3' . 34735 1
58 . 1 . 1 6 6 CFL H4' H 1 4.280 . . . . . . . A 6 CFL H4' . 34735 1
59 . 1 . 1 6 6 CFL H5 H 1 5.943 . . . . . . . A 6 CFL H5 . 34735 1
60 . 1 . 1 6 6 CFL H6 H 1 7.686 . . . . . . . A 6 CFL H6 . 34735 1
61 . 1 . 1 6 6 CFL F F 19 -199.098 . . . . . . . A 6 CFL F . 34735 1
62 . 1 . 1 6 6 CFL HN41 H 1 8.305 . . . . . . . A 6 CFL HN41 . 34735 1
63 . 1 . 1 6 6 CFL HN42 H 1 9.201 . . . . . . . A 6 CFL HN42 . 34735 1
64 . 2 . 1 1 1 DT H1' H 1 6.182 . . . . . . . B 7 DT H1' . 34735 1
65 . 2 . 1 1 1 DT H2' H 1 2.313 . . . . . . . B 7 DT H2' . 34735 1
66 . 2 . 1 1 1 DT H2'' H 1 2.645 . . . . . . . B 7 DT H2'' . 34735 1
67 . 2 . 1 1 1 DT H3' H 1 4.778 . . . . . . . B 7 DT H3' . 34735 1
68 . 2 . 1 1 1 DT H5' H 1 3.803 . . . . . . . B 7 DT H5' . 34735 1
69 . 2 . 1 1 1 DT H5'' H 1 3.803 . . . . . . . B 7 DT H5'' . 34735 1
70 . 2 . 1 1 1 DT H6 H 1 7.643 . . . . . . . B 7 DT H6 . 34735 1
71 . 2 . 1 1 1 DT H71 H 1 1.805 . . . . . . . B 7 DT H71 . 34735 1
72 . 2 . 1 1 1 DT H72 H 1 1.805 . . . . . . . B 7 DT H72 . 34735 1
73 . 2 . 1 1 1 DT H73 H 1 1.805 . . . . . . . B 7 DT H73 . 34735 1
74 . 2 . 1 2 2 CFL H1' H 1 6.331 . . . . . . . B 8 CFL H1' . 34735 1
75 . 2 . 1 2 2 CFL H2' H 1 5.227 . . . . . . . B 8 CFL H2' . 34735 1
76 . 2 . 1 2 2 CFL H3' H 1 4.947 . . . . . . . B 8 CFL H3' . 34735 1
77 . 2 . 1 2 2 CFL H4' H 1 4.194 . . . . . . . B 8 CFL H4' . 34735 1
78 . 2 . 1 2 2 CFL H5 H 1 6.027 . . . . . . . B 8 CFL H5 . 34735 1
79 . 2 . 1 2 2 CFL H5'1 H 1 4.191 . . . . . . . B 8 CFL H5'1 . 34735 1
80 . 2 . 1 2 2 CFL H5'2 H 1 4.191 . . . . . . . B 8 CFL H5'2 . 34735 1
81 . 2 . 1 2 2 CFL H6 H 1 7.668 . . . . . . . B 8 CFL H6 . 34735 1
82 . 2 . 1 2 2 CFL F F 19 -194.537 . . . . . . . B 8 CFL F . 34735 1
83 . 2 . 1 2 2 CFL HN41 H 1 8.758 . . . . . . . B 8 CFL HN41 . 34735 1
84 . 2 . 1 2 2 CFL HN42 H 1 9.244 . . . . . . . B 8 CFL HN42 . 34735 1
85 . 2 . 1 3 3 CFL H1' H 1 6.414 . . . . . . . B 9 CFL H1' . 34735 1
86 . 2 . 1 3 3 CFL H2' H 1 5.724 . . . . . . . B 9 CFL H2' . 34735 1
87 . 2 . 1 3 3 CFL H3' H 1 4.915 . . . . . . . B 9 CFL H3' . 34735 1
88 . 2 . 1 3 3 CFL H4' H 1 4.364 . . . . . . . B 9 CFL H4' . 34735 1
89 . 2 . 1 3 3 CFL H5 H 1 5.935 . . . . . . . B 9 CFL H5 . 34735 1
90 . 2 . 1 3 3 CFL H5'1 H 1 4.171 . . . . . . . B 9 CFL H5'1 . 34735 1
91 . 2 . 1 3 3 CFL H5'2 H 1 4.171 . . . . . . . B 9 CFL H5'2 . 34735 1
92 . 2 . 1 3 3 CFL H6 H 1 7.577 . . . . . . . B 9 CFL H6 . 34735 1
93 . 2 . 1 3 3 CFL F F 19 -189.286 . . . . . . . B 9 CFL F . 34735 1
94 . 2 . 1 3 3 CFL HN41 H 1 8.392 . . . . . . . B 9 CFL HN41 . 34735 1
95 . 2 . 1 3 3 CFL HN42 H 1 9.232 . . . . . . . B 9 CFL HN42 . 34735 1
96 . 2 . 1 4 4 CFL H1' H 1 6.300 . . . . . . . B 10 CFL H1' . 34735 1
97 . 2 . 1 4 4 CFL H2' H 1 5.133 . . . . . . . B 10 CFL H2' . 34735 1
98 . 2 . 1 4 4 CFL H3' H 1 4.764 . . . . . . . B 10 CFL H3' . 34735 1
99 . 2 . 1 4 4 CFL H4' H 1 4.474 . . . . . . . B 10 CFL H4' . 34735 1
100 . 2 . 1 4 4 CFL H5 H 1 6.071 . . . . . . . B 10 CFL H5 . 34735 1
101 . 2 . 1 4 4 CFL H5'1 H 1 4.084 . . . . . . . B 10 CFL H5'1 . 34735 1
102 . 2 . 1 4 4 CFL H5'2 H 1 4.084 . . . . . . . B 10 CFL H5'2 . 34735 1
103 . 2 . 1 4 4 CFL H6 H 1 7.758 . . . . . . . B 10 CFL H6 . 34735 1
104 . 2 . 1 4 4 CFL F F 19 -201.856 . . . . . . . B 10 CFL F . 34735 1
105 . 2 . 1 4 4 CFL HN41 H 1 8.458 . . . . . . . B 10 CFL HN41 . 34735 1
106 . 2 . 1 4 4 CFL HN42 H 1 8.835 . . . . . . . B 10 CFL HN42 . 34735 1
107 . 2 . 1 5 5 CFL H1' H 1 6.287 . . . . . . . B 11 CFL H1' . 34735 1
108 . 2 . 1 5 5 CFL H2' H 1 5.556 . . . . . . . B 11 CFL H2' . 34735 1
109 . 2 . 1 5 5 CFL H3' H 1 4.623 . . . . . . . B 11 CFL H3' . 34735 1
110 . 2 . 1 5 5 CFL H4' H 1 4.516 . . . . . . . B 11 CFL H4' . 34735 1
111 . 2 . 1 5 5 CFL H5 H 1 6.038 . . . . . . . B 11 CFL H5 . 34735 1
112 . 2 . 1 5 5 CFL H5'1 H 1 4.098 . . . . . . . B 11 CFL H5'1 . 34735 1
113 . 2 . 1 5 5 CFL H5'2 H 1 4.098 . . . . . . . B 11 CFL H5'2 . 34735 1
114 . 2 . 1 5 5 CFL H6 H 1 7.698 . . . . . . . B 11 CFL H6 . 34735 1
115 . 2 . 1 5 5 CFL F F 19 -192.259 . . . . . . . B 11 CFL F . 34735 1
116 . 2 . 1 5 5 CFL HN41 H 1 8.721 . . . . . . . B 11 CFL HN41 . 34735 1
117 . 2 . 1 5 5 CFL HN42 H 1 9.177 . . . . . . . B 11 CFL HN42 . 34735 1
118 . 2 . 1 6 6 CFL H1' H 1 6.570 . . . . . . . B 12 CFL H1' . 34735 1
119 . 2 . 1 6 6 CFL H2' H 1 5.148 . . . . . . . B 12 CFL H2' . 34735 1
120 . 2 . 1 6 6 CFL H3' H 1 4.498 . . . . . . . B 12 CFL H3' . 34735 1
121 . 2 . 1 6 6 CFL H4' H 1 4.280 . . . . . . . B 12 CFL H4' . 34735 1
122 . 2 . 1 6 6 CFL H5 H 1 5.943 . . . . . . . B 12 CFL H5 . 34735 1
123 . 2 . 1 6 6 CFL H6 H 1 7.686 . . . . . . . B 12 CFL H6 . 34735 1
124 . 2 . 1 6 6 CFL F F 19 -199.098 . . . . . . . B 12 CFL F . 34735 1
125 . 2 . 1 6 6 CFL HN41 H 1 8.305 . . . . . . . B 12 CFL HN41 . 34735 1
126 . 2 . 1 6 6 CFL HN42 H 1 9.201 . . . . . . . B 12 CFL HN42 . 34735 1
stop_
save_