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 51349
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name NPSL2_Frag2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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-13C HMQC' . . . 51349 1
2 '2D 1H-1H TOCSY' . . . 51349 1
3 '2D 1H-1H NOESY' . . . 51349 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 . . 51349 1
2 $software_2 . . 51349 1
3 $software_3 . . 51349 1
4 $software_4 . . 51349 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 G H1' H 1 5.8082 0.0000 . 1 . . . . . 105 G H1' . 51349 1
2 . 1 . 1 1 1 G H2' H 1 4.9214 0.0000 . 1 . . . . . 105 G H2' . 51349 1
3 . 1 . 1 1 1 G H3' H 1 4.7156 0.0000 . 1 . . . . . 105 G H3' . 51349 1
4 . 1 . 1 1 1 G H8 H 1 8.1492 0.0000 . 1 . . . . . 105 G H8 . 51349 1
5 . 1 . 1 1 1 G C8 C 13 139.9701 0.0000 . 1 . . . . . 105 G C8 . 51349 1
6 . 1 . 1 2 2 G H1' H 1 5.8913 0.0000 . 1 . . . . . 106 G H1' . 51349 1
7 . 1 . 1 2 2 G H2' H 1 4.7076 0.0000 . 1 . . . . . 106 G H2' . 51349 1
8 . 1 . 1 2 2 G H3' H 1 4.6232 0.0000 . 1 . . . . . 106 G H3' . 51349 1
9 . 1 . 1 2 2 G H8 H 1 7.4776 0.0000 . 1 . . . . . 106 G H8 . 51349 1
10 . 1 . 1 2 2 G C8 C 13 137.4690 0.0000 . 1 . . . . . 106 G C8 . 51349 1
11 . 1 . 1 3 3 A H1' H 1 5.9641 0.0000 . 1 . . . . . 16 A H1' . 51349 1
12 . 1 . 1 3 3 A H2 H 1 7.4192 0.0000 . 1 . . . . . 16 A H2 . 51349 1
13 . 1 . 1 3 3 A H2' H 1 4.6710 0.0000 . 1 . . . . . 16 A H2' . 51349 1
14 . 1 . 1 3 3 A H3' H 1 4.6248 0.0000 . 1 . . . . . 16 A H3' . 51349 1
15 . 1 . 1 3 3 A H8 H 1 7.7439 0.0000 . 1 . . . . . 16 A H8 . 51349 1
16 . 1 . 1 3 3 A C2 C 13 153.8169 0.0000 . 1 . . . . . 16 A C2 . 51349 1
17 . 1 . 1 3 3 A C8 C 13 139.7782 0.0000 . 1 . . . . . 16 A C8 . 51349 1
18 . 1 . 1 4 4 G H1' H 1 5.6189 0.0000 . 1 . . . . . 17 G H1' . 51349 1
19 . 1 . 1 4 4 G H2' H 1 4.5244 0.0000 . 1 . . . . . 17 G H2' . 51349 1
20 . 1 . 1 4 4 G H3' H 1 4.4239 0.0000 . 1 . . . . . 17 G H3' . 51349 1
21 . 1 . 1 4 4 G H8 H 1 7.0628 0.0000 . 1 . . . . . 17 G H8 . 51349 1
22 . 1 . 1 4 4 G C8 C 13 136.3144 0.0000 . 1 . . . . . 17 G C8 . 51349 1
23 . 1 . 1 5 5 G H1' H 1 5.7159 0.0000 . 1 . . . . . 18 G H1' . 51349 1
24 . 1 . 1 5 5 G H2' H 1 4.5652 0.0000 . 1 . . . . . 18 G H2' . 51349 1
25 . 1 . 1 5 5 G H3' H 1 4.4268 0.0000 . 1 . . . . . 18 G H3' . 51349 1
26 . 1 . 1 5 5 G H8 H 1 7.0617 0.0000 . 1 . . . . . 18 G H8 . 51349 1
27 . 1 . 1 5 5 G C8 C 13 136.3857 0.0000 . 1 . . . . . 18 G C8 . 51349 1
28 . 1 . 1 6 6 G H1' H 1 5.6690 0.0000 . 1 . . . . . 19 G H1' . 51349 1
29 . 1 . 1 6 6 G H2' H 1 4.4032 0.0000 . 1 . . . . . 19 G H2' . 51349 1
30 . 1 . 1 6 6 G H3' H 1 4.5732 0.0000 . 1 . . . . . 19 G H3' . 51349 1
31 . 1 . 1 6 6 G H8 H 1 6.9971 0.0000 . 1 . . . . . 19 G H8 . 51349 1
32 . 1 . 1 6 6 G C8 C 13 136.6138 0.0000 . 1 . . . . . 19 G C8 . 51349 1
33 . 1 . 1 7 7 A H1' H 1 5.7911 0.0000 . 1 . . . . . 20 A H1' . 51349 1
34 . 1 . 1 7 7 A H2 H 1 8.0324 0.0000 . 1 . . . . . 20 A H2 . 51349 1
35 . 1 . 1 7 7 A H2' H 1 4.5530 0.0000 . 1 . . . . . 20 A H2' . 51349 1
36 . 1 . 1 7 7 A H3' H 1 4.6136 0.0000 . 1 . . . . . 20 A H3' . 51349 1
37 . 1 . 1 7 7 A H8 H 1 7.6508 0.0000 . 1 . . . . . 20 A H8 . 51349 1
38 . 1 . 1 7 7 A C2 C 13 155.5175 0.0000 . 1 . . . . . 20 A C2 . 51349 1
39 . 1 . 1 7 7 A C8 C 13 139.6784 0.0000 . 1 . . . . . 20 A C8 . 51349 1
40 . 1 . 1 8 8 A H1' H 1 5.7935 0.0000 . 1 . . . . . 21 A H1' . 51349 1
41 . 1 . 1 8 8 A H2 H 1 7.8652 0.0000 . 1 . . . . . 21 A H2 . 51349 1
42 . 1 . 1 8 8 A H2' H 1 4.6184 0.0000 . 1 . . . . . 21 A H2' . 51349 1
43 . 1 . 1 8 8 A H3' H 1 4.5753 0.0000 . 1 . . . . . 21 A H3' . 51349 1
44 . 1 . 1 8 8 A H8 H 1 7.8036 0.0000 . 1 . . . . . 21 A H8 . 51349 1
45 . 1 . 1 8 8 A C2 C 13 155.2452 0.0000 . 1 . . . . . 21 A C2 . 51349 1
46 . 1 . 1 8 8 A C8 C 13 140.2200 0.0000 . 1 . . . . . 21 A C8 . 51349 1
47 . 1 . 1 9 9 A H1' H 1 5.7914 0.0000 . 1 . . . . . 22 A H1' . 51349 1
48 . 1 . 1 9 9 A H2 H 1 8.0508 0.0000 . 1 . . . . . 22 A H2 . 51349 1
49 . 1 . 1 9 9 A H2' H 1 4.4367 0.0000 . 1 . . . . . 22 A H2' . 51349 1
50 . 1 . 1 9 9 A H3' H 1 4.5483 0.0000 . 1 . . . . . 22 A H3' . 51349 1
51 . 1 . 1 9 9 A H8 H 1 7.9197 0.0000 . 1 . . . . . 22 A H8 . 51349 1
52 . 1 . 1 9 9 A C2 C 13 155.5902 0.0000 . 1 . . . . . 22 A C2 . 51349 1
53 . 1 . 1 9 9 A C8 C 13 140.5100 0.0000 . 1 . . . . . 22 A C8 . 51349 1
54 . 1 . 1 10 10 C H1' H 1 5.6379 0.0000 . 1 . . . . . 23 C H1' . 51349 1
55 . 1 . 1 10 10 C H2' H 1 4.1689 0.0000 . 1 . . . . . 23 C H2' . 51349 1
56 . 1 . 1 10 10 C H3' H 1 4.3251 0.0000 . 1 . . . . . 23 C H3' . 51349 1
57 . 1 . 1 10 10 C H5 H 1 5.5227 0.0000 . 1 . . . . . 23 C H5 . 51349 1
58 . 1 . 1 10 10 C H6 H 1 7.5558 0.0000 . 1 . . . . . 23 C H6 . 51349 1
59 . 1 . 1 10 10 C C6 C 13 142.7288 0.0000 . 1 . . . . . 23 C C6 . 51349 1
60 . 1 . 1 11 11 U H1' H 1 5.6824 0.0000 . 1 . . . . . 24 U H1' . 51349 1
61 . 1 . 1 11 11 U H2' H 1 4.4303 0.0000 . 1 . . . . . 24 U H2' . 51349 1
62 . 1 . 1 11 11 U H3' H 1 4.5068 0.0000 . 1 . . . . . 24 U H3' . 51349 1
63 . 1 . 1 11 11 U H5 H 1 5.5753 0.0000 . 1 . . . . . 24 U H5 . 51349 1
64 . 1 . 1 11 11 U H6 H 1 7.6891 0.0000 . 1 . . . . . 24 U H6 . 51349 1
65 . 1 . 1 11 11 U C6 C 13 143.7836 0.0000 . 1 . . . . . 24 U C6 . 51349 1
66 . 1 . 1 12 12 C H1' H 1 5.6233 0.0000 . 1 . . . . . 25 C H1' . 51349 1
67 . 1 . 1 12 12 C H2' H 1 4.4498 0.0000 . 1 . . . . . 25 C H2' . 51349 1
68 . 1 . 1 12 12 C H3' H 1 4.4785 0.0000 . 1 . . . . . 25 C H3' . 51349 1
69 . 1 . 1 12 12 C H5 H 1 5.6154 0.0000 . 1 . . . . . 25 C H5 . 51349 1
70 . 1 . 1 12 12 C H6 H 1 7.6254 0.0000 . 1 . . . . . 25 C H6 . 51349 1
71 . 1 . 1 12 12 C C6 C 13 143.0994 0.0000 . 1 . . . . . 25 C C6 . 51349 1
72 . 1 . 1 13 13 A H1' H 1 5.8111 0.0000 . 1 . . . . . 26 A H1' . 51349 1
73 . 1 . 1 13 13 A H2 H 1 7.6899 0.0000 . 1 . . . . . 26 A H2 . 51349 1
74 . 1 . 1 13 13 A H2' H 1 4.7319 0.0000 . 1 . . . . . 26 A H2' . 51349 1
75 . 1 . 1 13 13 A H3' H 1 4.7499 0.0000 . 1 . . . . . 26 A H3' . 51349 1
76 . 1 . 1 13 13 A H8 H 1 8.1677 0.0000 . 1 . . . . . 26 A H8 . 51349 1
77 . 1 . 1 13 13 A C2 C 13 154.8997 0.0000 . 1 . . . . . 26 A C2 . 51349 1
78 . 1 . 1 13 13 A C8 C 13 141.4298 0.0000 . 1 . . . . . 26 A C8 . 51349 1
79 . 1 . 1 14 14 A H1' H 1 5.6763 0.0000 . 1 . . . . . 27 A H1' . 51349 1
80 . 1 . 1 14 14 A H2 H 1 7.7320 0.0000 . 1 . . . . . 27 A H2 . 51349 1
81 . 1 . 1 14 14 A H2' H 1 4.6447 0.0000 . 1 . . . . . 27 A H2' . 51349 1
82 . 1 . 1 14 14 A H3' H 1 4.6578 0.0000 . 1 . . . . . 27 A H3' . 51349 1
83 . 1 . 1 14 14 A H8 H 1 7.9598 0.0000 . 1 . . . . . 27 A H8 . 51349 1
84 . 1 . 1 14 14 A C2 C 13 154.7961 0.0000 . 1 . . . . . 27 A C2 . 51349 1
85 . 1 . 1 14 14 A C8 C 13 140.7389 0.0000 . 1 . . . . . 27 A C8 . 51349 1
86 . 1 . 1 15 15 A H1' H 1 5.7346 0.0000 . 1 . . . . . 28 A H1' . 51349 1
87 . 1 . 1 15 15 A H2 H 1 8.0331 0.0000 . 1 . . . . . 28 A H2 . 51349 1
88 . 1 . 1 15 15 A H2' H 1 4.5072 0.0000 . 1 . . . . . 28 A H2' . 51349 1
89 . 1 . 1 15 15 A H3' H 1 4.5550 0.0000 . 1 . . . . . 28 A H3' . 51349 1
90 . 1 . 1 15 15 A H8 H 1 7.9375 0.0000 . 1 . . . . . 28 A H8 . 51349 1
91 . 1 . 1 15 15 A C2 C 13 155.4897 0.0000 . 1 . . . . . 28 A C2 . 51349 1
92 . 1 . 1 15 15 A C8 C 13 140.5639 0.0000 . 1 . . . . . 28 A C8 . 51349 1
93 . 1 . 1 16 16 C H1' H 1 5.5813 0.0000 . 1 . . . . . 29 C H1' . 51349 1
94 . 1 . 1 16 16 C H2' H 1 4.2634 0.0000 . 1 . . . . . 29 C H2' . 51349 1
95 . 1 . 1 16 16 C H3' H 1 4.4415 0.0000 . 1 . . . . . 29 C H3' . 51349 1
96 . 1 . 1 16 16 C H5 H 1 5.4082 0.0000 . 1 . . . . . 29 C H5 . 51349 1
97 . 1 . 1 16 16 C H6 H 1 7.4771 0.0000 . 1 . . . . . 29 C H6 . 51349 1
98 . 1 . 1 16 16 C C6 C 13 141.6362 0.0000 . 1 . . . . . 29 C C6 . 51349 1
99 . 1 . 1 17 17 C H1' H 1 5.5874 0.0000 . 1 . . . . . 30 C H1' . 51349 1
100 . 1 . 1 17 17 C H2' H 1 4.4080 0.0000 . 1 . . . . . 30 C H2' . 51349 1
101 . 1 . 1 17 17 C H3' H 1 4.5299 0.0000 . 1 . . . . . 30 C H3' . 51349 1
102 . 1 . 1 17 17 C H5 H 1 5.7553 0.0000 . 1 . . . . . 30 C H5 . 51349 1
103 . 1 . 1 17 17 C H6 H 1 7.8604 0.0000 . 1 . . . . . 30 C H6 . 51349 1
104 . 1 . 1 17 17 C C6 C 13 142.3738 0.0000 . 1 . . . . . 30 C C6 . 51349 1
105 . 1 . 1 18 18 C H1' H 1 5.4844 0.0000 . 1 . . . . . 31 C H1' . 51349 1
106 . 1 . 1 18 18 C H2' H 1 4.4702 0.0000 . 1 . . . . . 31 C H2' . 51349 1
107 . 1 . 1 18 18 C H3' H 1 4.4917 0.0000 . 1 . . . . . 31 C H3' . 51349 1
108 . 1 . 1 18 18 C H5 H 1 5.4848 0.0000 . 1 . . . . . 31 C H5 . 51349 1
109 . 1 . 1 18 18 C H6 H 1 7.8667 0.0000 . 1 . . . . . 31 C H6 . 51349 1
110 . 1 . 1 18 18 C C6 C 13 142.2156 0.0000 . 1 . . . . . 31 C C6 . 51349 1
111 . 1 . 1 19 19 C H1' H 1 5.4475 0.0000 . 1 . . . . . 32 C H1' . 51349 1
112 . 1 . 1 19 19 C H2' H 1 4.3948 0.0000 . 1 . . . . . 32 C H2' . 51349 1
113 . 1 . 1 19 19 C H3' H 1 4.5036 0.0000 . 1 . . . . . 32 C H3' . 51349 1
114 . 1 . 1 19 19 C H5 H 1 5.4476 0.0000 . 1 . . . . . 32 C H5 . 51349 1
115 . 1 . 1 19 19 C H6 H 1 7.8221 0.0000 . 1 . . . . . 32 C H6 . 51349 1
116 . 1 . 1 19 19 C C6 C 13 142.2014 0.0000 . 1 . . . . . 32 C C6 . 51349 1
117 . 1 . 1 20 20 U H1' H 1 5.5042 0.0000 . 1 . . . . . 33 U H1' . 51349 1
118 . 1 . 1 20 20 U H2' H 1 4.5095 0.0000 . 1 . . . . . 33 U H2' . 51349 1
119 . 1 . 1 20 20 U H3' H 1 4.5263 0.0000 . 1 . . . . . 33 U H3' . 51349 1
120 . 1 . 1 20 20 U H5 H 1 5.3891 0.0000 . 1 . . . . . 33 U H5 . 51349 1
121 . 1 . 1 20 20 U H6 H 1 7.9376 0.0000 . 1 . . . . . 33 U H6 . 51349 1
122 . 1 . 1 20 20 U C6 C 13 143.0593 0.0000 . 1 . . . . . 33 U C6 . 51349 1
123 . 1 . 1 21 21 C H1' H 1 5.5437 0.0000 . 1 . . . . . 107 C H1' . 51349 1
124 . 1 . 1 21 21 C H2' H 1 4.1881 0.0000 . 1 . . . . . 107 C H2' . 51349 1
125 . 1 . 1 21 21 C H3' H 1 4.4685 0.0000 . 1 . . . . . 107 C H3' . 51349 1
126 . 1 . 1 21 21 C H5 H 1 5.6191 0.0000 . 1 . . . . . 107 C H5 . 51349 1
127 . 1 . 1 21 21 C H6 H 1 7.9184 0.0000 . 1 . . . . . 107 C H6 . 51349 1
128 . 1 . 1 21 21 C C6 C 13 142.6876 0.0000 . 1 . . . . . 107 C C6 . 51349 1
129 . 1 . 1 22 22 C H1' H 1 5.6751 0.0000 . 1 . . . . . 108 C H1' . 51349 1
130 . 1 . 1 22 22 C H2' H 1 4.0180 0.0000 . 1 . . . . . 108 C H2' . 51349 1
131 . 1 . 1 22 22 C H3' H 1 4.1989 0.0000 . 1 . . . . . 108 C H3' . 51349 1
132 . 1 . 1 22 22 C H5 H 1 5.4376 0.0000 . 1 . . . . . 108 C H5 . 51349 1
133 . 1 . 1 22 22 C H6 H 1 7.6309 0.0000 . 1 . . . . . 108 C H6 . 51349 1
134 . 1 . 1 22 22 C C6 C 13 142.7858 0.0000 . 1 . . . . . 108 C C6 . 51349 1
stop_
save_