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 52446
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'SARS-CoV-2 Fusion Domain Mutant K825A Chemical Shifts 1H 13C 15N'
_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 '3D HNCO' . . . 52446 1
2 '3D HNCA' . . . 52446 1
3 '3D HN(CA)CO' . . . 52446 1
4 '3D HN(CO)CA' . . . 52446 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 . . 52446 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 SER C C 13 171.675 0.00 . . . . . . . 816 SER C . 52446 1
2 . 1 . 1 1 1 SER CA C 13 56.764 0.00 . . . . . . . 816 SER CA . 52446 1
3 . 1 . 1 2 2 PFF H H 1 9.298 0.00 . . . . . . . 817 PHE H . 52446 1
4 . 1 . 1 2 2 PFF C C 13 176.979 0.00 . . . . . . . 817 PHE C . 52446 1
5 . 1 . 1 2 2 PFF CA C 13 61.233 0.01 . . . . . . . 817 PHE CA . 52446 1
6 . 1 . 1 2 2 PFF N N 15 124.669 0.02 . . . . . . . 817 PHE N . 52446 1
7 . 1 . 1 3 3 ILE H H 1 8.561 0.00 . . . . . . . 818 ILE H . 52446 1
8 . 1 . 1 3 3 ILE C C 13 176.773 0.00 . . . . . . . 818 ILE C . 52446 1
9 . 1 . 1 3 3 ILE CA C 13 63.805 0.00 . . . . . . . 818 ILE CA . 52446 1
10 . 1 . 1 3 3 ILE N N 15 118.306 0.03 . . . . . . . 818 ILE N . 52446 1
11 . 1 . 1 4 4 GLU H H 1 7.476 0.00 . . . . . . . 819 GLU H . 52446 1
12 . 1 . 1 4 4 GLU C C 13 177.637 0.00 . . . . . . . 819 GLU C . 52446 1
13 . 1 . 1 4 4 GLU CA C 13 60.014 0.01 . . . . . . . 819 GLU CA . 52446 1
14 . 1 . 1 4 4 GLU N N 15 119.195 0.02 . . . . . . . 819 GLU N . 52446 1
15 . 1 . 1 5 5 ASP H H 1 7.854 0.00 . . . . . . . 820 ASP H . 52446 1
16 . 1 . 1 5 5 ASP C C 13 178.479 0.00 . . . . . . . 820 ASP C . 52446 1
17 . 1 . 1 5 5 ASP CA C 13 57.276 0.02 . . . . . . . 820 ASP CA . 52446 1
18 . 1 . 1 5 5 ASP N N 15 118.775 0.02 . . . . . . . 820 ASP N . 52446 1
19 . 1 . 1 6 6 LEU H H 1 7.929 0.00 . . . . . . . 821 LEU H . 52446 1
20 . 1 . 1 6 6 LEU C C 13 178.674 0.00 . . . . . . . 821 LEU C . 52446 1
21 . 1 . 1 6 6 LEU CA C 13 58.165 0.01 . . . . . . . 821 LEU CA . 52446 1
22 . 1 . 1 6 6 LEU N N 15 120.931 0.02 . . . . . . . 821 LEU N . 52446 1
23 . 1 . 1 7 7 LEU H H 1 7.866 0.00 . . . . . . . 822 LEU H . 52446 1
24 . 1 . 1 7 7 LEU C C 13 178.194 0.00 . . . . . . . 822 LEU C . 52446 1
25 . 1 . 1 7 7 LEU CA C 13 57.889 0.02 . . . . . . . 822 LEU CA . 52446 1
26 . 1 . 1 7 7 LEU N N 15 117.697 0.00 . . . . . . . 822 LEU N . 52446 1
27 . 1 . 1 8 8 PFF H H 1 8.350 0.00 . . . . . . . 823 PHE H . 52446 1
28 . 1 . 1 8 8 PFF C C 13 178.021 0.00 . . . . . . . 823 PHE C . 52446 1
29 . 1 . 1 8 8 PFF CA C 13 60.630 0.01 . . . . . . . 823 PHE CA . 52446 1
30 . 1 . 1 8 8 PFF N N 15 117.175 0.01 . . . . . . . 823 PHE N . 52446 1
31 . 1 . 1 9 9 ASN H H 1 8.067 0.00 . . . . . . . 824 ASN H . 52446 1
32 . 1 . 1 9 9 ASN C C 13 176.605 0.00 . . . . . . . 824 ASN C . 52446 1
33 . 1 . 1 9 9 ASN CA C 13 55.686 0.02 . . . . . . . 824 ASN CA . 52446 1
34 . 1 . 1 9 9 ASN N N 15 117.397 0.00 . . . . . . . 824 ASN N . 52446 1
35 . 1 . 1 10 10 ALA H H 1 8.242 0.00 . . . . . . . 825 ALA H . 52446 1
36 . 1 . 1 10 10 ALA C C 13 178.296 0.00 . . . . . . . 825 ALA C . 52446 1
37 . 1 . 1 10 10 ALA CA C 13 55.111 0.01 . . . . . . . 825 ALA CA . 52446 1
38 . 1 . 1 10 10 ALA N N 15 122.169 0.01 . . . . . . . 825 ALA N . 52446 1
39 . 1 . 1 11 11 VAL H H 1 7.843 0.00 . . . . . . . 826 VAL H . 52446 1
40 . 1 . 1 11 11 VAL C C 13 176.909 0.00 . . . . . . . 826 VAL C . 52446 1
41 . 1 . 1 11 11 VAL CA C 13 65.251 0.03 . . . . . . . 826 VAL CA . 52446 1
42 . 1 . 1 11 11 VAL N N 15 114.443 0.01 . . . . . . . 826 VAL N . 52446 1
43 . 1 . 1 12 12 THR H H 1 7.608 0.00 . . . . . . . 827 THR H . 52446 1
44 . 1 . 1 12 12 THR C C 13 176.104 0.00 . . . . . . . 827 THR C . 52446 1
45 . 1 . 1 12 12 THR CA C 13 64.618 0.01 . . . . . . . 827 THR CA . 52446 1
46 . 1 . 1 12 12 THR N N 15 113.397 0.00 . . . . . . . 827 THR N . 52446 1
47 . 1 . 1 13 13 LEU H H 1 7.816 0.01 . . . . . . . 828 LEU H . 52446 1
48 . 1 . 1 13 13 LEU C C 13 178.079 0.00 . . . . . . . 828 LEU C . 52446 1
49 . 1 . 1 13 13 LEU CA C 13 56.895 0.00 . . . . . . . 828 LEU CA . 52446 1
50 . 1 . 1 13 13 LEU N N 15 121.287 0.01 . . . . . . . 828 LEU N . 52446 1
51 . 1 . 1 14 14 ALA H H 1 7.812 0.00 . . . . . . . 829 ALA H . 52446 1
52 . 1 . 1 14 14 ALA C C 13 177.762 0.00 . . . . . . . 829 ALA C . 52446 1
53 . 1 . 1 14 14 ALA CA C 13 53.695 0.04 . . . . . . . 829 ALA CA . 52446 1
54 . 1 . 1 14 14 ALA N N 15 120.413 0.01 . . . . . . . 829 ALA N . 52446 1
55 . 1 . 1 15 15 ASP H H 1 8.006 0.00 . . . . . . . 830 ASP H . 52446 1
56 . 1 . 1 15 15 ASP C C 13 175.852 0.00 . . . . . . . 830 ASP C . 52446 1
57 . 1 . 1 15 15 ASP CA C 13 54.240 0.03 . . . . . . . 830 ASP CA . 52446 1
58 . 1 . 1 15 15 ASP N N 15 116.525 0.02 . . . . . . . 830 ASP N . 52446 1
59 . 1 . 1 16 16 ALA H H 1 8.170 0.00 . . . . . . . 831 ALA H . 52446 1
60 . 1 . 1 16 16 ALA C C 13 178.932 0.00 . . . . . . . 831 ALA C . 52446 1
61 . 1 . 1 16 16 ALA CA C 13 53.935 0.02 . . . . . . . 831 ALA CA . 52446 1
62 . 1 . 1 16 16 ALA N N 15 122.770 0.02 . . . . . . . 831 ALA N . 52446 1
63 . 1 . 1 17 17 GLY H H 1 8.403 0.00 . . . . . . . 832 GLY H . 52446 1
64 . 1 . 1 17 17 GLY C C 13 175.796 0.00 . . . . . . . 832 GLY C . 52446 1
65 . 1 . 1 17 17 GLY CA C 13 46.828 0.01 . . . . . . . 832 GLY CA . 52446 1
66 . 1 . 1 17 17 GLY N N 15 106.819 0.01 . . . . . . . 832 GLY N . 52446 1
67 . 1 . 1 18 18 PFF H H 1 8.084 0.01 . . . . . . . 833 PHE H . 52446 1
68 . 1 . 1 18 18 PFF C C 13 176.667 0.00 . . . . . . . 833 PHE C . 52446 1
69 . 1 . 1 18 18 PFF CA C 13 60.603 0.02 . . . . . . . 833 PHE CA . 52446 1
70 . 1 . 1 18 18 PFF N N 15 120.757 0.02 . . . . . . . 833 PHE N . 52446 1
71 . 1 . 1 19 19 ILE H H 1 7.688 0.00 . . . . . . . 834 ILE H . 52446 1
72 . 1 . 1 19 19 ILE C C 13 177.647 0.00 . . . . . . . 834 ILE C . 52446 1
73 . 1 . 1 19 19 ILE CA C 13 63.441 0.00 . . . . . . . 834 ILE CA . 52446 1
74 . 1 . 1 19 19 ILE N N 15 118.188 0.01 . . . . . . . 834 ILE N . 52446 1
75 . 1 . 1 20 20 LYS H H 1 7.774 0.00 . . . . . . . 835 LYS H . 52446 1
76 . 1 . 1 20 20 LYS C C 13 178.138 0.00 . . . . . . . 835 LYS C . 52446 1
77 . 1 . 1 20 20 LYS CA C 13 59.016 0.08 . . . . . . . 835 LYS CA . 52446 1
78 . 1 . 1 20 20 LYS N N 15 119.802 0.04 . . . . . . . 835 LYS N . 52446 1
79 . 1 . 1 21 21 GLN H H 1 7.700 0.00 . . . . . . . 836 GLN H . 52446 1
80 . 1 . 1 21 21 GLN CA C 13 57.929 0.00 . . . . . . . 836 GLN CA . 52446 1
81 . 1 . 1 21 21 GLN N N 15 116.706 0.01 . . . . . . . 836 GLN N . 52446 1
82 . 1 . 1 22 22 TYR H H 1 7.740 0.00 . . . . . . . 837 TYR H . 52446 1
83 . 1 . 1 22 22 TYR C C 13 176.868 0.00 . . . . . . . 837 TYR C . 52446 1
84 . 1 . 1 22 22 TYR N N 15 117.247 0.00 . . . . . . . 837 TYR N . 52446 1
85 . 1 . 1 23 23 GLY H H 1 8.041 0.00 . . . . . . . 838 GLY H . 52446 1
86 . 1 . 1 23 23 GLY C C 13 174.817 0.00 . . . . . . . 838 GLY C . 52446 1
87 . 1 . 1 23 23 GLY CA C 13 47.202 0.00 . . . . . . . 838 GLY CA . 52446 1
88 . 1 . 1 23 23 GLY N N 15 107.547 0.00 . . . . . . . 838 GLY N . 52446 1
89 . 1 . 1 24 24 ASP H H 1 8.201 0.00 . . . . . . . 839 ASP H . 52446 1
90 . 1 . 1 24 24 ASP C C 13 177.255 0.00 . . . . . . . 839 ASP C . 52446 1
91 . 1 . 1 24 24 ASP CA C 13 55.537 0.07 . . . . . . . 839 ASP CA . 52446 1
92 . 1 . 1 24 24 ASP N N 15 119.361 0.04 . . . . . . . 839 ASP N . 52446 1
93 . 1 . 1 25 25 CYS H H 1 8.037 0.00 . . . . . . . 840 CYS H . 52446 1
94 . 1 . 1 25 25 CYS C C 13 175.128 0.00 . . . . . . . 840 CYS C . 52446 1
95 . 1 . 1 25 25 CYS CA C 13 56.283 0.00 . . . . . . . 840 CYS CA . 52446 1
96 . 1 . 1 25 25 CYS N N 15 116.963 0.02 . . . . . . . 840 CYS N . 52446 1
97 . 1 . 1 26 26 LEU H H 1 7.918 0.01 . . . . . . . 841 LEU H . 52446 1
98 . 1 . 1 26 26 LEU CA C 13 56.246 0.06 . . . . . . . 841 LEU CA . 52446 1
99 . 1 . 1 26 26 LEU N N 15 119.440 0.04 . . . . . . . 841 LEU N . 52446 1
100 . 1 . 1 27 27 GLY H H 1 8.073 0.00 . . . . . . . 842 GLY H . 52446 1
101 . 1 . 1 27 27 GLY C C 13 174.410 0.00 . . . . . . . 842 GLY C . 52446 1
102 . 1 . 1 27 27 GLY CA C 13 45.990 0.00 . . . . . . . 842 GLY CA . 52446 1
103 . 1 . 1 27 27 GLY N N 15 106.114 0.05 . . . . . . . 842 GLY N . 52446 1
104 . 1 . 1 28 28 ASP H H 1 7.987 0.00 . . . . . . . 843 ASP H . 52446 1
105 . 1 . 1 28 28 ASP C C 13 176.945 0.00 . . . . . . . 843 ASP C . 52446 1
106 . 1 . 1 28 28 ASP CA C 13 54.671 0.00 . . . . . . . 843 ASP CA . 52446 1
107 . 1 . 1 28 28 ASP N N 15 120.806 0.02 . . . . . . . 843 ASP N . 52446 1
108 . 1 . 1 29 29 ILE H H 1 8.182 0.00 . . . . . . . 844 ILE H . 52446 1
109 . 1 . 1 29 29 ILE N N 15 121.126 0.00 . . . . . . . 844 ILE N . 52446 1
110 . 1 . 1 30 30 ALA H H 1 8.175 0.00 . . . . . . . 845 ALA H . 52446 1
111 . 1 . 1 30 30 ALA N N 15 123.492 0.00 . . . . . . . 845 ALA N . 52446 1
112 . 1 . 1 31 31 ALA H H 1 7.855 0.00 . . . . . . . 846 ALA H . 52446 1
113 . 1 . 1 31 31 ALA N N 15 118.301 0.00 . . . . . . . 846 ALA N . 52446 1
114 . 1 . 1 32 32 ARG H H 1 7.806 0.00 . . . . . . . 847 ARG H . 52446 1
115 . 1 . 1 32 32 ARG C C 13 175.403 0.00 . . . . . . . 847 ARG C . 52446 1
116 . 1 . 1 32 32 ARG CA C 13 57.344 0.00 . . . . . . . 847 ARG CA . 52446 1
117 . 1 . 1 32 32 ARG N N 15 116.721 0.00 . . . . . . . 847 ARG N . 52446 1
118 . 1 . 1 33 33 ASP H H 1 8.080 0.00 . . . . . . . 848 ASP H . 52446 1
119 . 1 . 1 33 33 ASP CA C 13 53.714 0.00 . . . . . . . 848 ASP CA . 52446 1
120 . 1 . 1 33 33 ASP N N 15 118.271 0.01 . . . . . . . 848 ASP N . 52446 1
121 . 1 . 1 34 34 LEU H H 1 8.090 0.00 . . . . . . . 849 LEU H . 52446 1
122 . 1 . 1 34 34 LEU N N 15 120.683 0.00 . . . . . . . 849 LEU N . 52446 1
123 . 1 . 1 35 35 ILE H H 1 7.921 0.00 . . . . . . . 850 ILE H . 52446 1
124 . 1 . 1 35 35 ILE N N 15 118.887 0.00 . . . . . . . 850 ILE N . 52446 1
125 . 1 . 1 36 36 CYS H H 1 8.423 0.00 . . . . . . . 851 CYS H . 52446 1
126 . 1 . 1 36 36 CYS C C 13 174.472 0.00 . . . . . . . 851 CYS C . 52446 1
127 . 1 . 1 36 36 CYS CA C 13 56.896 0.00 . . . . . . . 851 CYS CA . 52446 1
128 . 1 . 1 36 36 CYS N N 15 119.421 0.00 . . . . . . . 851 CYS N . 52446 1
129 . 1 . 1 37 37 ALA H H 1 7.980 0.00 . . . . . . . 852 ALA H . 52446 1
130 . 1 . 1 37 37 ALA C C 13 177.357 0.00 . . . . . . . 852 ALA C . 52446 1
131 . 1 . 1 37 37 ALA CA C 13 53.031 0.00 . . . . . . . 852 ALA CA . 52446 1
132 . 1 . 1 37 37 ALA N N 15 123.102 0.01 . . . . . . . 852 ALA N . 52446 1
133 . 1 . 1 38 38 GLN H H 1 7.914 0.00 . . . . . . . 853 GLN H . 52446 1
134 . 1 . 1 38 38 GLN C C 13 175.687 0.00 . . . . . . . 853 GLN C . 52446 1
135 . 1 . 1 38 38 GLN CA C 13 56.299 0.02 . . . . . . . 853 GLN CA . 52446 1
136 . 1 . 1 38 38 GLN N N 15 117.050 0.00 . . . . . . . 853 GLN N . 52446 1
137 . 1 . 1 39 39 LYS H H 1 7.864 0.00 . . . . . . . 854 LYS H . 52446 1
138 . 1 . 1 39 39 LYS C C 13 175.410 0.00 . . . . . . . 854 LYS C . 52446 1
139 . 1 . 1 39 39 LYS CA C 13 56.099 0.01 . . . . . . . 854 LYS CA . 52446 1
140 . 1 . 1 39 39 LYS N N 15 120.305 0.02 . . . . . . . 854 LYS N . 52446 1
141 . 1 . 1 40 40 PFF H H 1 7.615 0.00 . . . . . . . 855 PHE H . 52446 1
142 . 1 . 1 40 40 PFF CA C 13 58.471 0.00 . . . . . . . 855 PHE CA . 52446 1
143 . 1 . 1 40 40 PFF N N 15 123.685 0.00 . . . . . . . 855 PHE N . 52446 1
stop_
save_