Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52215
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'SCoV-2 delta s2m assignment at 298K'
_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 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
4 'JR NOESY' . . . 52215 2
5 '2D 1H-13C HSQC aromatic' . . . 52215 2
6 '2D 1H-15N TROSY' . . . 52215 2
7 'HNN COSY' . . . 52215 2
8 HCCNH-TOCSY . . . 52215 2
9 CPMG-NOESY . . . 52215 2
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 . . 52215 2
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 12.838 0.00 . . . . . . . 1 G H1 . 52215 2
2 . 1 . 1 1 1 G H8 H 1 7.173 0.00 . . . . . . . 1 G H8 . 52215 2
3 . 1 . 1 1 1 G C8 C 13 137.230 0.00 . . . . . . . 1 G C8 . 52215 2
4 . 1 . 1 1 1 G N1 N 15 147.266 0.00 . . . . . . . 1 G N1 . 52215 2
5 . 1 . 1 2 2 G H1 H 1 13.388 0.00 . . . . . . . 2 G H1 . 52215 2
6 . 1 . 1 2 2 G H8 H 1 7.538 0.00 . . . . . . . 2 G H8 . 52215 2
7 . 1 . 1 2 2 G C8 C 13 136.931 0.01 . . . . . . . 2 G C8 . 52215 2
8 . 1 . 1 2 2 G N1 N 15 148.336 0.03 . . . . . . . 2 G N1 . 52215 2
9 . 1 . 1 3 3 U H3 H 1 14.321 0.01 . . . . . . . 3 U H3 . 52215 2
10 . 1 . 1 3 3 U H6 H 1 7.799 0.00 . . . . . . . 3 U H6 . 52215 2
11 . 1 . 1 3 3 U C6 C 13 141.817 0.01 . . . . . . . 3 U C6 . 52215 2
12 . 1 . 1 3 3 U N3 N 15 162.530 0.03 . . . . . . . 3 U N3 . 52215 2
13 . 1 . 1 4 4 U H3 H 1 13.745 0.00 . . . . . . . 4 U H3 . 52215 2
14 . 1 . 1 4 4 U H6 H 1 7.969 0.00 . . . . . . . 4 U H6 . 52215 2
15 . 1 . 1 4 4 U C6 C 13 142.309 0.00 . . . . . . . 4 U C6 . 52215 2
16 . 1 . 1 4 4 U N3 N 15 162.940 0.01 . . . . . . . 4 U N3 . 52215 2
17 . 1 . 1 5 5 C H6 H 1 7.851 0.00 . . . . . . . 5 C H6 . 52215 2
18 . 1 . 1 5 5 C H41 H 1 8.346 0.00 . . . . . . . 5 C H41 . 52215 2
19 . 1 . 1 5 5 C H42 H 1 6.918 0.00 . . . . . . . 5 C H42 . 52215 2
20 . 1 . 1 5 5 C C6 C 13 141.470 0.00 . . . . . . . 5 C C6 . 52215 2
21 . 1 . 1 5 5 C N3 N 15 197.376 0.00 . . . . . . . 5 C N3 . 52215 2
22 . 1 . 1 5 5 C N4 N 15 97.411 0.02 . . . . . . . 5 C N4 . 52215 2
23 . 1 . 1 6 6 A H2 H 1 7.287 0.00 . . . . . . . 6 A H2 . 52215 2
24 . 1 . 1 6 6 A C2 C 13 153.175 0.00 . . . . . . . 6 A C2 . 52215 2
25 . 1 . 1 6 6 A N1 N 15 221.739 0.00 . . . . . . . 6 A N1 . 52215 2
26 . 1 . 1 6 6 A N6 N 15 83.494 0.00 . . . . . . . 6 A N6 . 52215 2
27 . 1 . 1 7 7 C H6 H 1 7.328 0.00 . . . . . . . 7 C H6 . 52215 2
28 . 1 . 1 7 7 C H41 H 1 8.099 0.00 . . . . . . . 7 C H41 . 52215 2
29 . 1 . 1 7 7 C H42 H 1 6.963 0.00 . . . . . . . 7 C H42 . 52215 2
30 . 1 . 1 7 7 C C6 C 13 140.404 0.00 . . . . . . . 7 C C6 . 52215 2
31 . 1 . 1 7 7 C N3 N 15 196.678 0.00 . . . . . . . 7 C N3 . 52215 2
32 . 1 . 1 7 7 C N4 N 15 97.918 0.04 . . . . . . . 7 C N4 . 52215 2
33 . 1 . 1 14 14 C H6 H 1 7.633 0.00 . . . . . . . 14 C H6 . 52215 2
34 . 1 . 1 14 14 C H41 H 1 8.482 0.00 . . . . . . . 14 C H41 . 52215 2
35 . 1 . 1 14 14 C H42 H 1 7.167 0.00 . . . . . . . 14 C H42 . 52215 2
36 . 1 . 1 14 14 C C6 C 13 141.743 0.00 . . . . . . . 14 C C6 . 52215 2
37 . 1 . 1 14 14 C N3 N 15 197.162 0.00 . . . . . . . 14 C N3 . 52215 2
38 . 1 . 1 14 14 C N4 N 15 97.503 0.01 . . . . . . . 14 C N4 . 52215 2
39 . 1 . 1 15 15 A H2 H 1 7.488 0.00 . . . . . . . 15 A H2 . 52215 2
40 . 1 . 1 15 15 A H61 H 1 8.381 0.00 . . . . . . . 15 A H61 . 52215 2
41 . 1 . 1 15 15 A H62 H 1 6.936 0.00 . . . . . . . 15 A H62 . 52215 2
42 . 1 . 1 15 15 A C2 C 13 153.664 0.00 . . . . . . . 15 A C2 . 52215 2
43 . 1 . 1 15 15 A N1 N 15 219.913 0.00 . . . . . . . 15 A N1 . 52215 2
44 . 1 . 1 15 15 A N6 N 15 85.736 0.06 . . . . . . . 15 A N6 . 52215 2
45 . 1 . 1 16 16 C H6 H 1 7.575 0.00 . . . . . . . 16 C H6 . 52215 2
46 . 1 . 1 16 16 C H41 H 1 8.389 0.00 . . . . . . . 16 C H41 . 52215 2
47 . 1 . 1 16 16 C H42 H 1 6.934 0.00 . . . . . . . 16 C H42 . 52215 2
48 . 1 . 1 16 16 C C6 C 13 140.199 0.00 . . . . . . . 16 C C6 . 52215 2
49 . 1 . 1 16 16 C N3 N 15 195.832 0.00 . . . . . . . 16 C N3 . 52215 2
50 . 1 . 1 16 16 C N4 N 15 100.600 0.04 . . . . . . . 16 C N4 . 52215 2
51 . 1 . 1 17 17 U H3 H 1 14.030 0.00 . . . . . . . 17 U H3 . 52215 2
52 . 1 . 1 17 17 U H6 H 1 7.799 0.00 . . . . . . . 17 U H6 . 52215 2
53 . 1 . 1 17 17 U C6 C 13 141.815 0.01 . . . . . . . 17 U C6 . 52215 2
54 . 1 . 1 17 17 U N3 N 15 162.565 0.01 . . . . . . . 17 U N3 . 52215 2
55 . 1 . 1 18 18 C H6 H 1 7.812 0.00 . . . . . . . 18 C H6 . 52215 2
56 . 1 . 1 18 18 C H41 H 1 8.171 0.00 . . . . . . . 18 C H41 . 52215 2
57 . 1 . 1 18 18 C H42 H 1 6.752 0.00 . . . . . . . 18 C H42 . 52215 2
58 . 1 . 1 18 18 C C6 C 13 141.386 0.00 . . . . . . . 18 C C6 . 52215 2
59 . 1 . 1 18 18 C N3 N 15 197.201 0.00 . . . . . . . 18 C N3 . 52215 2
60 . 1 . 1 18 18 C N4 N 15 97.211 0.06 . . . . . . . 18 C N4 . 52215 2
61 . 1 . 1 19 19 G H1 H 1 12.170 0.00 . . . . . . . 19 G H1 . 52215 2
62 . 1 . 1 19 19 G H8 H 1 7.501 0.00 . . . . . . . 19 G H8 . 52215 2
63 . 1 . 1 19 19 G C8 C 13 136.436 0.01 . . . . . . . 19 G C8 . 52215 2
64 . 1 . 1 19 19 G N1 N 15 147.104 0.03 . . . . . . . 19 G N1 . 52215 2
65 . 1 . 1 20 20 G H1 H 1 10.298 0.00 . . . . . . . 20 G H1 . 52215 2
66 . 1 . 1 20 20 G N1 N 15 144.126 0.00 . . . . . . . 20 G N1 . 52215 2
67 . 1 . 1 29 29 C H6 H 1 7.899 0.00 . . . . . . . 29 C H6 . 52215 2
68 . 1 . 1 29 29 C H41 H 1 8.181 0.00 . . . . . . . 29 C H41 . 52215 2
69 . 1 . 1 29 29 C H42 H 1 6.776 0.00 . . . . . . . 29 C H42 . 52215 2
70 . 1 . 1 29 29 C C6 C 13 142.185 0.00 . . . . . . . 29 C C6 . 52215 2
71 . 1 . 1 29 29 C N3 N 15 196.473 0.00 . . . . . . . 29 C N3 . 52215 2
72 . 1 . 1 29 29 C N4 N 15 97.069 0.06 . . . . . . . 29 C N4 . 52215 2
73 . 1 . 1 30 30 G H1 H 1 11.841 0.00 . . . . . . . 30 G H1 . 52215 2
74 . 1 . 1 30 30 G H8 H 1 7.438 0.00 . . . . . . . 30 G H8 . 52215 2
75 . 1 . 1 30 30 G C8 C 13 136.368 0.01 . . . . . . . 30 G C8 . 52215 2
76 . 1 . 1 30 30 G N1 N 15 146.076 0.03 . . . . . . . 30 G N1 . 52215 2
77 . 1 . 1 31 31 A H2 H 1 7.351 0.01 . . . . . . . 31 A H2 . 52215 2
78 . 1 . 1 31 31 A C2 C 13 153.076 0.00 . . . . . . . 31 A C2 . 52215 2
79 . 1 . 1 31 31 A N1 N 15 221.313 0.00 . . . . . . . 31 A N1 . 52215 2
80 . 1 . 1 31 31 A N6 N 15 82.115 0.00 . . . . . . . 31 A N6 . 52215 2
81 . 1 . 1 32 32 G H1 H 1 13.568 0.01 . . . . . . . 32 G H1 . 52215 2
82 . 1 . 1 32 32 G H8 H 1 7.157 0.00 . . . . . . . 32 G H8 . 52215 2
83 . 1 . 1 32 32 G C8 C 13 136.219 0.01 . . . . . . . 32 G C8 . 52215 2
84 . 1 . 1 32 32 G N1 N 15 147.564 0.03 . . . . . . . 32 G N1 . 52215 2
85 . 1 . 1 32 32 G N2 N 15 75.918 0.00 . . . . . . . 32 G N2 . 52215 2
86 . 1 . 1 33 33 U H3 H 1 13.739 0.00 . . . . . . . 33 U H3 . 52215 2
87 . 1 . 1 33 33 U H6 H 1 7.822 0.00 . . . . . . . 33 U H6 . 52215 2
88 . 1 . 1 33 33 U C6 C 13 141.649 0.00 . . . . . . . 33 U C6 . 52215 2
89 . 1 . 1 33 33 U N3 N 15 161.426 0.02 . . . . . . . 33 U N3 . 52215 2
90 . 1 . 1 34 34 G H1 H 1 12.761 0.01 . . . . . . . 34 G H1 . 52215 2
91 . 1 . 1 34 34 G H8 H 1 7.665 0.00 . . . . . . . 34 G H8 . 52215 2
92 . 1 . 1 34 34 G C8 C 13 136.491 0.00 . . . . . . . 34 G C8 . 52215 2
93 . 1 . 1 34 34 G N1 N 15 148.361 0.03 . . . . . . . 34 G N1 . 52215 2
94 . 1 . 1 39 39 G H1 H 1 13.279 0.00 . . . . . . . 39 G H1 . 52215 2
95 . 1 . 1 39 39 G H8 H 1 7.133 0.00 . . . . . . . 39 G H8 . 52215 2
96 . 1 . 1 39 39 G C8 C 13 135.902 0.01 . . . . . . . 39 G C8 . 52215 2
97 . 1 . 1 39 39 G N1 N 15 148.658 0.03 . . . . . . . 39 G N1 . 52215 2
98 . 1 . 1 40 40 U H3 H 1 13.519 0.00 . . . . . . . 40 U H3 . 52215 2
99 . 1 . 1 40 40 U H6 H 1 7.579 0.00 . . . . . . . 40 U H6 . 52215 2
100 . 1 . 1 40 40 U C6 C 13 140.935 0.00 . . . . . . . 40 U C6 . 52215 2
101 . 1 . 1 40 40 U N3 N 15 161.957 0.01 . . . . . . . 40 U N3 . 52215 2
102 . 1 . 1 41 41 G H1 H 1 11.629 0.00 . . . . . . . 41 G H1 . 52215 2
103 . 1 . 1 41 41 G H8 H 1 7.628 0.00 . . . . . . . 41 G H8 . 52215 2
104 . 1 . 1 41 41 G C8 C 13 136.271 0.01 . . . . . . . 41 G C8 . 52215 2
105 . 1 . 1 41 41 G N1 N 15 146.233 0.03 . . . . . . . 41 G N1 . 52215 2
106 . 1 . 1 41 41 G N2 N 15 74.190 0.00 . . . . . . . 41 G N2 . 52215 2
107 . 1 . 1 42 42 A H2 H 1 7.048 0.00 . . . . . . . 42 A H2 . 52215 2
108 . 1 . 1 42 42 A H61 H 1 8.344 0.00 . . . . . . . 42 A H61 . 52215 2
109 . 1 . 1 42 42 A H62 H 1 6.915 0.00 . . . . . . . 42 A H62 . 52215 2
110 . 1 . 1 42 42 A C2 C 13 152.834 0.00 . . . . . . . 42 A C2 . 52215 2
111 . 1 . 1 42 42 A N1 N 15 221.063 0.00 . . . . . . . 42 A N1 . 52215 2
112 . 1 . 1 42 42 A N6 N 15 83.662 0.07 . . . . . . . 42 A N6 . 52215 2
113 . 1 . 1 43 43 A H2 H 1 7.771 0.00 . . . . . . . 43 A H2 . 52215 2
114 . 1 . 1 43 43 A C2 C 13 153.842 0.00 . . . . . . . 43 A C2 . 52215 2
115 . 1 . 1 43 43 A N1 N 15 222.365 0.00 . . . . . . . 43 A N1 . 52215 2
116 . 1 . 1 43 43 A N6 N 15 85.320 0.00 . . . . . . . 43 A N6 . 52215 2
117 . 1 . 1 44 44 C H6 H 1 7.409 0.01 . . . . . . . 44 C H6 . 52215 2
118 . 1 . 1 44 44 C H41 H 1 8.347 0.00 . . . . . . . 44 C H41 . 52215 2
119 . 1 . 1 44 44 C H42 H 1 6.959 0.00 . . . . . . . 44 C H42 . 52215 2
120 . 1 . 1 44 44 C C6 C 13 140.687 0.00 . . . . . . . 44 C C6 . 52215 2
121 . 1 . 1 44 44 C N3 N 15 198.296 0.00 . . . . . . . 44 C N3 . 52215 2
122 . 1 . 1 44 44 C N4 N 15 98.650 0.03 . . . . . . . 44 C N4 . 52215 2
123 . 1 . 1 45 45 C H6 H 1 7.437 0.00 . . . . . . . 45 C H6 . 52215 2
124 . 1 . 1 45 45 C C6 C 13 141.758 0.00 . . . . . . . 45 C C6 . 52215 2
125 . 1 . 1 45 45 C N3 N 15 195.997 0.00 . . . . . . . 45 C N3 . 52215 2
126 . 1 . 1 45 45 C N4 N 15 98.929 0.00 . . . . . . . 45 C N4 . 52215 2
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save_