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 50813
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'SARS-CoV-2 E protein'
_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-15N HSQC' . . . 50813 1
3 '3D HNCA' . . . 50813 1
4 '3D HN(CO)CA' . . . 50813 1
5 '3D HNCO' . . . 50813 1
6 '3D HN(CA)CO' . . . 50813 1
7 '2D HSQCNOESY' . . . 50813 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 . . 50813 1
2 $software_2 . . 50813 1
3 $software_3 . . 50813 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 MET H H 1 8.990 0.02 . 1 . . . . . 1 MET H . 50813 1
2 . 1 . 1 1 1 MET C C 13 176.089 0.2 . 1 . . . . . 1 MET C . 50813 1
3 . 1 . 1 1 1 MET CA C 13 57.773 0.2 . 1 . . . . . 1 MET CA . 50813 1
4 . 1 . 1 1 1 MET N N 15 122.931 0.2 . 1 . . . . . 1 MET N . 50813 1
5 . 1 . 1 2 2 TYR H H 1 7.919 0.02 . 1 . . . . . 2 TYR H . 50813 1
6 . 1 . 1 2 2 TYR C C 13 176.390 0.2 . 1 . . . . . 2 TYR C . 50813 1
7 . 1 . 1 2 2 TYR CA C 13 58.893 0.2 . 1 . . . . . 2 TYR CA . 50813 1
8 . 1 . 1 2 2 TYR N N 15 116.747 0.2 . 1 . . . . . 2 TYR N . 50813 1
9 . 1 . 1 3 3 SER H H 1 7.921 0.02 . 1 . . . . . 3 SER H . 50813 1
10 . 1 . 1 3 3 SER C C 13 174.761 0.2 . 1 . . . . . 3 SER C . 50813 1
11 . 1 . 1 3 3 SER CA C 13 60.298 0.2 . 1 . . . . . 3 SER CA . 50813 1
12 . 1 . 1 3 3 SER N N 15 114.872 0.2 . 1 . . . . . 3 SER N . 50813 1
13 . 1 . 1 4 4 PHE H H 1 7.760 0.02 . 1 . . . . . 4 PHE H . 50813 1
14 . 1 . 1 4 4 PHE C C 13 175.286 0.2 . 1 . . . . . 4 PHE C . 50813 1
15 . 1 . 1 4 4 PHE CA C 13 59.365 0.2 . 1 . . . . . 4 PHE CA . 50813 1
16 . 1 . 1 4 4 PHE N N 15 119.246 0.2 . 1 . . . . . 4 PHE N . 50813 1
17 . 1 . 1 5 5 VAL H H 1 7.481 0.02 . 1 . . . . . 5 VAL H . 50813 1
18 . 1 . 1 5 5 VAL C C 13 175.198 0.2 . 1 . . . . . 5 VAL C . 50813 1
19 . 1 . 1 5 5 VAL CA C 13 62.140 0.2 . 1 . . . . . 5 VAL CA . 50813 1
20 . 1 . 1 5 5 VAL N N 15 114.106 0.2 . 1 . . . . . 5 VAL N . 50813 1
21 . 1 . 1 6 6 SER H H 1 8.242 0.02 . 1 . . . . . 6 SER H . 50813 1
22 . 1 . 1 6 6 SER C C 13 175.103 0.2 . 1 . . . . . 6 SER C . 50813 1
23 . 1 . 1 6 6 SER CA C 13 58.808 0.2 . 1 . . . . . 6 SER CA . 50813 1
24 . 1 . 1 6 6 SER N N 15 116.926 0.2 . 1 . . . . . 6 SER N . 50813 1
25 . 1 . 1 7 7 GLU H H 1 8.598 0.02 . 1 . . . . . 7 GLU H . 50813 1
26 . 1 . 1 7 7 GLU C C 13 178.061 0.2 . 1 . . . . . 7 GLU C . 50813 1
27 . 1 . 1 7 7 GLU CA C 13 58.719 0.2 . 1 . . . . . 7 GLU CA . 50813 1
28 . 1 . 1 7 7 GLU N N 15 122.019 0.2 . 1 . . . . . 7 GLU N . 50813 1
29 . 1 . 1 8 8 GLU H H 1 8.577 0.02 . 1 . . . . . 8 GLU H . 50813 1
30 . 1 . 1 8 8 GLU C C 13 176.853 0.2 . 1 . . . . . 8 GLU C . 50813 1
31 . 1 . 1 8 8 GLU CA C 13 58.580 0.2 . 1 . . . . . 8 GLU CA . 50813 1
32 . 1 . 1 8 8 GLU N N 15 118.929 0.2 . 1 . . . . . 8 GLU N . 50813 1
33 . 1 . 1 9 9 THR H H 1 7.876 0.02 . 1 . . . . . 9 THR H . 50813 1
34 . 1 . 1 9 9 THR C C 13 175.949 0.2 . 1 . . . . . 9 THR C . 50813 1
35 . 1 . 1 9 9 THR CA C 13 65.811 0.2 . 1 . . . . . 9 THR CA . 50813 1
36 . 1 . 1 9 9 THR N N 15 115.829 0.2 . 1 . . . . . 9 THR N . 50813 1
37 . 1 . 1 10 10 GLY H H 1 8.540 0.02 . 1 . . . . . 10 GLY H . 50813 1
38 . 1 . 1 10 10 GLY C C 13 174.952 0.2 . 1 . . . . . 10 GLY C . 50813 1
39 . 1 . 1 10 10 GLY CA C 13 47.297 0.2 . 1 . . . . . 10 GLY CA . 50813 1
40 . 1 . 1 10 10 GLY N N 15 109.520 0.2 . 1 . . . . . 10 GLY N . 50813 1
41 . 1 . 1 11 11 THR H H 1 7.939 0.02 . 1 . . . . . 11 THR H . 50813 1
42 . 1 . 1 11 11 THR C C 13 175.523 0.2 . 1 . . . . . 11 THR C . 50813 1
43 . 1 . 1 11 11 THR CA C 13 65.742 0.2 . 1 . . . . . 11 THR CA . 50813 1
44 . 1 . 1 11 11 THR N N 15 115.917 0.2 . 1 . . . . . 11 THR N . 50813 1
45 . 1 . 1 12 12 LEU H H 1 7.762 0.02 . 1 . . . . . 12 LEU H . 50813 1
46 . 1 . 1 12 12 LEU C C 13 179.461 0.2 . 1 . . . . . 12 LEU C . 50813 1
47 . 1 . 1 12 12 LEU CA C 13 58.262 0.2 . 1 . . . . . 12 LEU CA . 50813 1
48 . 1 . 1 12 12 LEU N N 15 122.407 0.2 . 1 . . . . . 12 LEU N . 50813 1
49 . 1 . 1 13 13 ILE H H 1 8.225 0.02 . 1 . . . . . 13 ILE H . 50813 1
50 . 1 . 1 13 13 ILE C C 13 176.963 0.2 . 1 . . . . . 13 ILE C . 50813 1
51 . 1 . 1 13 13 ILE CA C 13 65.514 0.2 . 1 . . . . . 13 ILE CA . 50813 1
52 . 1 . 1 13 13 ILE N N 15 119.551 0.2 . 1 . . . . . 13 ILE N . 50813 1
53 . 1 . 1 14 14 VAL H H 1 8.017 0.02 . 1 . . . . . 14 VAL H . 50813 1
54 . 1 . 1 14 14 VAL C C 13 177.078 0.2 . 1 . . . . . 14 VAL C . 50813 1
55 . 1 . 1 14 14 VAL CA C 13 67.265 0.2 . 1 . . . . . 14 VAL CA . 50813 1
56 . 1 . 1 14 14 VAL N N 15 118.650 0.2 . 1 . . . . . 14 VAL N . 50813 1
57 . 1 . 1 15 15 ASN H H 1 8.242 0.02 . 1 . . . . . 15 ASN H . 50813 1
58 . 1 . 1 15 15 ASN C C 13 177.326 0.2 . 1 . . . . . 15 ASN C . 50813 1
59 . 1 . 1 15 15 ASN CA C 13 56.111 0.2 . 1 . . . . . 15 ASN CA . 50813 1
60 . 1 . 1 15 15 ASN N N 15 116.926 0.2 . 1 . . . . . 15 ASN N . 50813 1
61 . 1 . 1 16 16 SER H H 1 8.077 0.02 . 1 . . . . . 16 SER H . 50813 1
62 . 1 . 1 16 16 SER C C 13 175.469 0.2 . 1 . . . . . 16 SER C . 50813 1
63 . 1 . 1 16 16 SER CA C 13 63.352 0.2 . 1 . . . . . 16 SER CA . 50813 1
64 . 1 . 1 16 16 SER N N 15 115.681 0.2 . 1 . . . . . 16 SER N . 50813 1
65 . 1 . 1 17 17 VAL H H 1 8.160 0.02 . 1 . . . . . 17 VAL H . 50813 1
66 . 1 . 1 17 17 VAL C C 13 177.586 0.2 . 1 . . . . . 17 VAL C . 50813 1
67 . 1 . 1 17 17 VAL CA C 13 67.144 0.2 . 1 . . . . . 17 VAL CA . 50813 1
68 . 1 . 1 17 17 VAL N N 15 121.552 0.2 . 1 . . . . . 17 VAL N . 50813 1
69 . 1 . 1 18 18 LEU H H 1 8.190 0.02 . 1 . . . . . 18 LEU H . 50813 1
70 . 1 . 1 18 18 LEU C C 13 178.348 0.2 . 1 . . . . . 18 LEU C . 50813 1
71 . 1 . 1 18 18 LEU CA C 13 58.621 0.2 . 1 . . . . . 18 LEU CA . 50813 1
72 . 1 . 1 18 18 LEU N N 15 118.966 0.2 . 1 . . . . . 18 LEU N . 50813 1
73 . 1 . 1 19 19 LEU H H 1 7.970 0.02 . 1 . . . . . 19 LEU H . 50813 1
74 . 1 . 1 19 19 LEU C C 13 177.894 0.2 . 1 . . . . . 19 LEU C . 50813 1
75 . 1 . 1 19 19 LEU CA C 13 58.285 0.2 . 1 . . . . . 19 LEU CA . 50813 1
76 . 1 . 1 19 19 LEU N N 15 118.093 0.2 . 1 . . . . . 19 LEU N . 50813 1
77 . 1 . 1 20 20 PHE H H 1 8.268 0.02 . 1 . . . . . 20 PHE H . 50813 1
78 . 1 . 1 20 20 PHE C C 13 176.951 0.2 . 1 . . . . . 20 PHE C . 50813 1
79 . 1 . 1 20 20 PHE CA C 13 61.855 0.2 . 1 . . . . . 20 PHE CA . 50813 1
80 . 1 . 1 20 20 PHE N N 15 118.695 0.2 . 1 . . . . . 20 PHE N . 50813 1
81 . 1 . 1 21 21 LEU H H 1 8.643 0.02 . 1 . . . . . 21 LEU H . 50813 1
82 . 1 . 1 21 21 LEU C C 13 178.178 0.2 . 1 . . . . . 21 LEU C . 50813 1
83 . 1 . 1 21 21 LEU CA C 13 58.035 0.2 . 1 . . . . . 21 LEU CA . 50813 1
84 . 1 . 1 21 21 LEU N N 15 118.184 0.2 . 1 . . . . . 21 LEU N . 50813 1
85 . 1 . 1 22 22 ALA H H 1 8.360 0.02 . 1 . . . . . 22 ALA H . 50813 1
86 . 1 . 1 22 22 ALA C C 13 178.456 0.2 . 1 . . . . . 22 ALA C . 50813 1
87 . 1 . 1 22 22 ALA CA C 13 55.612 0.2 . 1 . . . . . 22 ALA CA . 50813 1
88 . 1 . 1 22 22 ALA N N 15 120.410 0.2 . 1 . . . . . 22 ALA N . 50813 1
89 . 1 . 1 23 23 PHE H H 1 8.187 0.02 . 1 . . . . . 23 PHE H . 50813 1
90 . 1 . 1 23 23 PHE C C 13 176.581 0.2 . 1 . . . . . 23 PHE C . 50813 1
91 . 1 . 1 23 23 PHE CA C 13 61.528 0.2 . 1 . . . . . 23 PHE CA . 50813 1
92 . 1 . 1 23 23 PHE N N 15 117.385 0.2 . 1 . . . . . 23 PHE N . 50813 1
93 . 1 . 1 24 24 VAL H H 1 8.189 0.02 . 1 . . . . . 24 VAL H . 50813 1
94 . 1 . 1 24 24 VAL C C 13 177.894 0.2 . 1 . . . . . 24 VAL C . 50813 1
95 . 1 . 1 24 24 VAL CA C 13 67.483 0.2 . 1 . . . . . 24 VAL CA . 50813 1
96 . 1 . 1 24 24 VAL N N 15 118.727 0.2 . 1 . . . . . 24 VAL N . 50813 1
97 . 1 . 1 25 25 VAL H H 1 8.268 0.02 . 1 . . . . . 25 VAL H . 50813 1
98 . 1 . 1 25 25 VAL C C 13 177.045 0.2 . 1 . . . . . 25 VAL C . 50813 1
99 . 1 . 1 25 25 VAL CA C 13 67.829 0.2 . 1 . . . . . 25 VAL CA . 50813 1
100 . 1 . 1 25 25 VAL N N 15 118.695 0.2 . 1 . . . . . 25 VAL N . 50813 1
101 . 1 . 1 26 26 PHE H H 1 8.395 0.02 . 1 . . . . . 26 PHE H . 50813 1
102 . 1 . 1 26 26 PHE C C 13 178.105 0.2 . 1 . . . . . 26 PHE C . 50813 1
103 . 1 . 1 26 26 PHE CA C 13 61.733 0.2 . 1 . . . . . 26 PHE CA . 50813 1
104 . 1 . 1 26 26 PHE N N 15 119.490 0.2 . 1 . . . . . 26 PHE N . 50813 1
105 . 1 . 1 27 27 LEU H H 1 8.446 0.02 . 1 . . . . . 27 LEU H . 50813 1
106 . 1 . 1 27 27 LEU C C 13 177.894 0.2 . 1 . . . . . 27 LEU C . 50813 1
107 . 1 . 1 27 27 LEU CA C 13 58.304 0.2 . 1 . . . . . 27 LEU CA . 50813 1
108 . 1 . 1 27 27 LEU N N 15 121.848 0.2 . 1 . . . . . 27 LEU N . 50813 1
109 . 1 . 1 28 28 LEU H H 1 8.268 0.02 . 1 . . . . . 28 LEU H . 50813 1
110 . 1 . 1 28 28 LEU C C 13 178.617 0.2 . 1 . . . . . 28 LEU C . 50813 1
111 . 1 . 1 28 28 LEU CA C 13 58.415 0.2 . 1 . . . . . 28 LEU CA . 50813 1
112 . 1 . 1 28 28 LEU N N 15 118.695 0.2 . 1 . . . . . 28 LEU N . 50813 1
113 . 1 . 1 29 29 VAL H H 1 8.438 0.02 . 1 . . . . . 29 VAL H . 50813 1
114 . 1 . 1 29 29 VAL C C 13 178.436 0.2 . 1 . . . . . 29 VAL C . 50813 1
115 . 1 . 1 29 29 VAL CA C 13 67.201 0.2 . 1 . . . . . 29 VAL CA . 50813 1
116 . 1 . 1 29 29 VAL N N 15 117.791 0.2 . 1 . . . . . 29 VAL N . 50813 1
117 . 1 . 1 30 30 THR H H 1 7.881 0.02 . 1 . . . . . 30 THR H . 50813 1
118 . 1 . 1 30 30 THR C C 13 176.412 0.2 . 1 . . . . . 30 THR C . 50813 1
119 . 1 . 1 30 30 THR CA C 13 68.663 0.2 . 1 . . . . . 30 THR CA . 50813 1
120 . 1 . 1 30 30 THR N N 15 116.432 0.2 . 1 . . . . . 30 THR N . 50813 1
121 . 1 . 1 31 31 LEU H H 1 8.370 0.02 . 1 . . . . . 31 LEU H . 50813 1
122 . 1 . 1 31 31 LEU C C 13 179.838 0.2 . 1 . . . . . 31 LEU C . 50813 1
123 . 1 . 1 31 31 LEU CA C 13 58.144 0.2 . 1 . . . . . 31 LEU CA . 50813 1
124 . 1 . 1 31 31 LEU N N 15 120.095 0.2 . 1 . . . . . 31 LEU N . 50813 1
125 . 1 . 1 32 32 ALA H H 1 8.505 0.02 . 1 . . . . . 32 ALA H . 50813 1
126 . 1 . 1 32 32 ALA C C 13 178.692 0.2 . 1 . . . . . 32 ALA C . 50813 1
127 . 1 . 1 32 32 ALA CA C 13 55.910 0.2 . 1 . . . . . 32 ALA CA . 50813 1
128 . 1 . 1 32 32 ALA N N 15 124.376 0.2 . 1 . . . . . 32 ALA N . 50813 1
129 . 1 . 1 33 33 ILE H H 1 8.272 0.02 . 1 . . . . . 33 ILE H . 50813 1
130 . 1 . 1 33 33 ILE C C 13 177.718 0.2 . 1 . . . . . 33 ILE C . 50813 1
131 . 1 . 1 33 33 ILE CA C 13 65.871 0.2 . 1 . . . . . 33 ILE CA . 50813 1
132 . 1 . 1 33 33 ILE N N 15 117.959 0.2 . 1 . . . . . 33 ILE N . 50813 1
133 . 1 . 1 34 34 LEU H H 1 8.432 0.02 . 1 . . . . . 34 LEU H . 50813 1
134 . 1 . 1 34 34 LEU C C 13 178.851 0.2 . 1 . . . . . 34 LEU C . 50813 1
135 . 1 . 1 34 34 LEU CA C 13 58.573 0.2 . 1 . . . . . 34 LEU CA . 50813 1
136 . 1 . 1 34 34 LEU N N 15 118.455 0.2 . 1 . . . . . 34 LEU N . 50813 1
137 . 1 . 1 35 35 THR H H 1 8.186 0.02 . 1 . . . . . 35 THR H . 50813 1
138 . 1 . 1 35 35 THR C C 13 176.246 0.2 . 1 . . . . . 35 THR C . 50813 1
139 . 1 . 1 35 35 THR CA C 13 68.218 0.2 . 1 . . . . . 35 THR CA . 50813 1
140 . 1 . 1 35 35 THR N N 15 115.567 0.2 . 1 . . . . . 35 THR N . 50813 1
141 . 1 . 1 36 36 ALA H H 1 8.361 0.02 . 1 . . . . . 36 ALA H . 50813 1
142 . 1 . 1 36 36 ALA C C 13 179.377 0.2 . 1 . . . . . 36 ALA C . 50813 1
143 . 1 . 1 36 36 ALA CA C 13 55.799 0.2 . 1 . . . . . 36 ALA CA . 50813 1
144 . 1 . 1 36 36 ALA N N 15 123.858 0.2 . 1 . . . . . 36 ALA N . 50813 1
145 . 1 . 1 37 37 LEU H H 1 8.389 0.02 . 1 . . . . . 37 LEU H . 50813 1
146 . 1 . 1 37 37 LEU C C 13 178.649 0.2 . 1 . . . . . 37 LEU C . 50813 1
147 . 1 . 1 37 37 LEU CA C 13 57.949 0.2 . 1 . . . . . 37 LEU CA . 50813 1
148 . 1 . 1 37 37 LEU N N 15 116.444 0.2 . 1 . . . . . 37 LEU N . 50813 1
149 . 1 . 1 38 38 ARG H H 1 8.047 0.02 . 1 . . . . . 38 ARG H . 50813 1
150 . 1 . 1 38 38 ARG C C 13 178.919 0.2 . 1 . . . . . 38 ARG C . 50813 1
151 . 1 . 1 38 38 ARG CA C 13 57.985 0.2 . 1 . . . . . 38 ARG CA . 50813 1
152 . 1 . 1 38 38 ARG N N 15 117.764 0.2 . 1 . . . . . 38 ARG N . 50813 1
153 . 1 . 1 39 39 LEU H H 1 8.394 0.02 . 1 . . . . . 39 LEU H . 50813 1
154 . 1 . 1 39 39 LEU CA C 13 57.077 0.2 . 1 . . . . . 39 LEU CA . 50813 1
155 . 1 . 1 39 39 LEU N N 15 118.863 0.2 . 1 . . . . . 39 LEU N . 50813 1
156 . 1 . 1 40 40 CYS C C 13 175.327 0.2 . 1 . . . . . 40 CYS C . 50813 1
157 . 1 . 1 40 40 CYS CA C 13 61.977 0.2 . 1 . . . . . 40 CYS CA . 50813 1
158 . 1 . 1 41 41 ALA H H 1 8.230 0.02 . 1 . . . . . 41 ALA H . 50813 1
159 . 1 . 1 41 41 ALA C C 13 178.267 0.2 . 1 . . . . . 41 ALA C . 50813 1
160 . 1 . 1 41 41 ALA CA C 13 54.581 0.2 . 1 . . . . . 41 ALA CA . 50813 1
161 . 1 . 1 41 41 ALA N N 15 122.237 0.2 . 1 . . . . . 41 ALA N . 50813 1
162 . 1 . 1 42 42 TYR H H 1 7.884 0.02 . 1 . . . . . 42 TYR H . 50813 1
163 . 1 . 1 42 42 TYR C C 13 176.854 0.2 . 1 . . . . . 42 TYR C . 50813 1
164 . 1 . 1 42 42 TYR CA C 13 59.824 0.2 . 1 . . . . . 42 TYR CA . 50813 1
165 . 1 . 1 42 42 TYR N N 15 116.422 0.2 . 1 . . . . . 42 TYR N . 50813 1
166 . 1 . 1 43 43 CYS H H 1 8.031 0.02 . 1 . . . . . 43 CYS H . 50813 1
167 . 1 . 1 43 43 CYS C C 13 174.876 0.2 . 1 . . . . . 43 CYS C . 50813 1
168 . 1 . 1 43 43 CYS CA C 13 60.727 0.2 . 1 . . . . . 43 CYS CA . 50813 1
169 . 1 . 1 43 43 CYS N N 15 115.681 0.2 . 1 . . . . . 43 CYS N . 50813 1
170 . 1 . 1 44 44 CYS H H 1 8.019 0.02 . 1 . . . . . 44 CYS H . 50813 1
171 . 1 . 1 44 44 CYS CA C 13 60.158 0.2 . 1 . . . . . 44 CYS CA . 50813 1
172 . 1 . 1 44 44 CYS N N 15 117.248 0.2 . 1 . . . . . 44 CYS N . 50813 1
173 . 1 . 1 45 45 ASN H H 1 8.300 0.02 . 1 . . . . . 45 ASN H . 50813 1
174 . 1 . 1 45 45 ASN C C 13 175.567 0.2 . 1 . . . . . 45 ASN C . 50813 1
175 . 1 . 1 45 45 ASN CA C 13 54.323 0.2 . 1 . . . . . 45 ASN CA . 50813 1
176 . 1 . 1 45 45 ASN N N 15 118.418 0.2 . 1 . . . . . 45 ASN N . 50813 1
177 . 1 . 1 46 46 ILE H H 1 7.828 0.02 . 1 . . . . . 46 ILE H . 50813 1
178 . 1 . 1 46 46 ILE C C 13 175.562 0.2 . 1 . . . . . 46 ILE C . 50813 1
179 . 1 . 1 46 46 ILE CA C 13 62.515 0.2 . 1 . . . . . 46 ILE CA . 50813 1
180 . 1 . 1 46 46 ILE N N 15 118.354 0.2 . 1 . . . . . 46 ILE N . 50813 1
181 . 1 . 1 47 47 VAL H H 1 7.581 0.02 . 1 . . . . . 47 VAL H . 50813 1
182 . 1 . 1 47 47 VAL C C 13 175.174 0.2 . 1 . . . . . 47 VAL C . 50813 1
183 . 1 . 1 47 47 VAL CA C 13 62.700 0.2 . 1 . . . . . 47 VAL CA . 50813 1
184 . 1 . 1 47 47 VAL N N 15 116.702 0.2 . 1 . . . . . 47 VAL N . 50813 1
185 . 1 . 1 48 48 ASN H H 1 8.056 0.02 . 1 . . . . . 48 ASN H . 50813 1
186 . 1 . 1 48 48 ASN C C 13 175.154 0.2 . 1 . . . . . 48 ASN C . 50813 1
187 . 1 . 1 48 48 ASN CA C 13 53.545 0.2 . 1 . . . . . 48 ASN CA . 50813 1
188 . 1 . 1 48 48 ASN N N 15 119.603 0.2 . 1 . . . . . 48 ASN N . 50813 1
189 . 1 . 1 49 49 VAL H H 1 7.810 0.02 . 1 . . . . . 49 VAL H . 50813 1
190 . 1 . 1 49 49 VAL C C 13 175.254 0.2 . 1 . . . . . 49 VAL C . 50813 1
191 . 1 . 1 49 49 VAL CA C 13 62.629 0.2 . 1 . . . . . 49 VAL CA . 50813 1
192 . 1 . 1 49 49 VAL N N 15 117.742 0.2 . 1 . . . . . 49 VAL N . 50813 1
193 . 1 . 1 50 50 SER H H 1 8.135 0.02 . 1 . . . . . 50 SER H . 50813 1
194 . 1 . 1 50 50 SER CA C 13 58.845 0.2 . 1 . . . . . 50 SER CA . 50813 1
195 . 1 . 1 50 50 SER N N 15 117.375 0.2 . 1 . . . . . 50 SER N . 50813 1
196 . 1 . 1 51 51 LEU H H 1 8.012 0.02 . 1 . . . . . 51 LEU H . 50813 1
197 . 1 . 1 51 51 LEU C C 13 177.905 0.2 . 1 . . . . . 51 LEU C . 50813 1
198 . 1 . 1 51 51 LEU CA C 13 55.800 0.2 . 1 . . . . . 51 LEU CA . 50813 1
199 . 1 . 1 51 51 LEU N N 15 119.860 0.2 . 1 . . . . . 51 LEU N . 50813 1
200 . 1 . 1 52 52 VAL H H 1 7.927 0.02 . 1 . . . . . 52 VAL H . 50813 1
201 . 1 . 1 52 52 VAL C C 13 176.475 0.2 . 1 . . . . . 52 VAL C . 50813 1
202 . 1 . 1 52 52 VAL CA C 13 66.117 0.2 . 1 . . . . . 52 VAL CA . 50813 1
203 . 1 . 1 52 52 VAL N N 15 119.544 0.2 . 1 . . . . . 52 VAL N . 50813 1
204 . 1 . 1 53 53 LYS H H 1 8.272 0.02 . 1 . . . . . 53 LYS H . 50813 1
205 . 1 . 1 53 53 LYS CA C 13 60.393 0.2 . 1 . . . . . 53 LYS CA . 50813 1
206 . 1 . 1 53 53 LYS N N 15 119.204 0.2 . 1 . . . . . 53 LYS N . 50813 1
207 . 1 . 1 54 54 PRO C C 13 177.282 0.2 . 1 . . . . . 54 PRO C . 50813 1
208 . 1 . 1 54 54 PRO CA C 13 65.890 0.2 . 1 . . . . . 54 PRO CA . 50813 1
209 . 1 . 1 55 55 THR H H 1 7.432 0.02 . 1 . . . . . 55 THR H . 50813 1
210 . 1 . 1 55 55 THR C C 13 176.185 0.2 . 1 . . . . . 55 THR C . 50813 1
211 . 1 . 1 55 55 THR CA C 13 67.457 0.2 . 1 . . . . . 55 THR CA . 50813 1
212 . 1 . 1 55 55 THR N N 15 112.404 0.2 . 1 . . . . . 55 THR N . 50813 1
213 . 1 . 1 56 56 VAL H H 1 8.117 0.02 . 1 . . . . . 56 VAL H . 50813 1
214 . 1 . 1 56 56 VAL C C 13 178.318 0.2 . 1 . . . . . 56 VAL C . 50813 1
215 . 1 . 1 56 56 VAL CA C 13 66.620 0.2 . 1 . . . . . 56 VAL CA . 50813 1
216 . 1 . 1 56 56 VAL N N 15 120.700 0.2 . 1 . . . . . 56 VAL N . 50813 1
217 . 1 . 1 57 57 TYR H H 1 8.000 0.02 . 1 . . . . . 57 TYR H . 50813 1
218 . 1 . 1 57 57 TYR C C 13 178.017 0.2 . 1 . . . . . 57 TYR C . 50813 1
219 . 1 . 1 57 57 TYR CA C 13 61.674 0.2 . 1 . . . . . 57 TYR CA . 50813 1
220 . 1 . 1 57 57 TYR N N 15 121.121 0.2 . 1 . . . . . 57 TYR N . 50813 1
221 . 1 . 1 58 58 VAL H H 1 8.146 0.02 . 1 . . . . . 58 VAL H . 50813 1
222 . 1 . 1 58 58 VAL C C 13 177.426 0.2 . 1 . . . . . 58 VAL C . 50813 1
223 . 1 . 1 58 58 VAL CA C 13 67.393 0.2 . 1 . . . . . 58 VAL CA . 50813 1
224 . 1 . 1 58 58 VAL N N 15 118.426 0.2 . 1 . . . . . 58 VAL N . 50813 1
225 . 1 . 1 59 59 TYR H H 1 8.422 0.02 . 1 . . . . . 59 TYR H . 50813 1
226 . 1 . 1 59 59 TYR C C 13 176.551 0.2 . 1 . . . . . 59 TYR C . 50813 1
227 . 1 . 1 59 59 TYR CA C 13 61.661 0.2 . 1 . . . . . 59 TYR CA . 50813 1
228 . 1 . 1 59 59 TYR N N 15 119.762 0.2 . 1 . . . . . 59 TYR N . 50813 1
229 . 1 . 1 60 60 SER H H 1 8.220 0.02 . 1 . . . . . 60 SER H . 50813 1
230 . 1 . 1 60 60 SER C C 13 175.756 0.2 . 1 . . . . . 60 SER C . 50813 1
231 . 1 . 1 60 60 SER CA C 13 61.706 0.2 . 1 . . . . . 60 SER CA . 50813 1
232 . 1 . 1 60 60 SER N N 15 112.631 0.2 . 1 . . . . . 60 SER N . 50813 1
233 . 1 . 1 61 61 ARG H H 1 7.558 0.02 . 1 . . . . . 61 ARG H . 50813 1
234 . 1 . 1 61 61 ARG C C 13 177.417 0.2 . 1 . . . . . 61 ARG C . 50813 1
235 . 1 . 1 61 61 ARG CA C 13 57.242 0.2 . 1 . . . . . 61 ARG CA . 50813 1
236 . 1 . 1 61 61 ARG N N 15 119.592 0.2 . 1 . . . . . 61 ARG N . 50813 1
237 . 1 . 1 62 62 VAL H H 1 8.019 0.02 . 1 . . . . . 62 VAL H . 50813 1
238 . 1 . 1 62 62 VAL C C 13 177.119 0.2 . 1 . . . . . 62 VAL C . 50813 1
239 . 1 . 1 62 62 VAL CA C 13 64.973 0.2 . 1 . . . . . 62 VAL CA . 50813 1
240 . 1 . 1 62 62 VAL N N 15 117.248 0.2 . 1 . . . . . 62 VAL N . 50813 1
241 . 1 . 1 63 63 LYS H H 1 7.828 0.02 . 1 . . . . . 63 LYS H . 50813 1
242 . 1 . 1 63 63 LYS C C 13 176.704 0.2 . 1 . . . . . 63 LYS C . 50813 1
243 . 1 . 1 63 63 LYS CA C 13 58.385 0.2 . 1 . . . . . 63 LYS CA . 50813 1
244 . 1 . 1 63 63 LYS N N 15 118.354 0.2 . 1 . . . . . 63 LYS N . 50813 1
245 . 1 . 1 64 64 ASN H H 1 7.515 0.02 . 1 . . . . . 64 ASN H . 50813 1
246 . 1 . 1 64 64 ASN C C 13 175.608 0.2 . 1 . . . . . 64 ASN C . 50813 1
247 . 1 . 1 64 64 ASN CA C 13 53.511 0.2 . 1 . . . . . 64 ASN CA . 50813 1
248 . 1 . 1 64 64 ASN N N 15 115.330 0.2 . 1 . . . . . 64 ASN N . 50813 1
249 . 1 . 1 65 65 LEU H H 1 7.616 0.02 . 1 . . . . . 65 LEU H . 50813 1
250 . 1 . 1 65 65 LEU C C 13 176.465 0.2 . 1 . . . . . 65 LEU C . 50813 1
251 . 1 . 1 65 65 LEU CA C 13 56.176 0.2 . 1 . . . . . 65 LEU CA . 50813 1
252 . 1 . 1 65 65 LEU N N 15 121.004 0.2 . 1 . . . . . 65 LEU N . 50813 1
253 . 1 . 1 66 66 ASN H H 1 8.096 0.02 . 1 . . . . . 66 ASN H . 50813 1
254 . 1 . 1 66 66 ASN C C 13 175.375 0.2 . 1 . . . . . 66 ASN C . 50813 1
255 . 1 . 1 66 66 ASN CA C 13 53.369 0.2 . 1 . . . . . 66 ASN CA . 50813 1
256 . 1 . 1 66 66 ASN N N 15 117.428 0.2 . 1 . . . . . 66 ASN N . 50813 1
257 . 1 . 1 67 67 SER H H 1 8.224 0.02 . 1 . . . . . 67 SER H . 50813 1
258 . 1 . 1 67 67 SER C C 13 174.884 0.2 . 1 . . . . . 67 SER C . 50813 1
259 . 1 . 1 67 67 SER CA C 13 59.418 0.2 . 1 . . . . . 67 SER CA . 50813 1
260 . 1 . 1 67 67 SER N N 15 115.539 0.2 . 1 . . . . . 67 SER N . 50813 1
261 . 1 . 1 68 68 SER H H 1 8.189 0.02 . 1 . . . . . 68 SER H . 50813 1
262 . 1 . 1 68 68 SER C C 13 174.269 0.2 . 1 . . . . . 68 SER C . 50813 1
263 . 1 . 1 68 68 SER CA C 13 59.493 0.2 . 1 . . . . . 68 SER CA . 50813 1
264 . 1 . 1 68 68 SER N N 15 117.062 0.2 . 1 . . . . . 68 SER N . 50813 1
265 . 1 . 1 69 69 ARG H H 1 7.994 0.02 . 1 . . . . . 69 ARG H . 50813 1
266 . 1 . 1 69 69 ARG C C 13 175.984 0.2 . 1 . . . . . 69 ARG C . 50813 1
267 . 1 . 1 69 69 ARG CA C 13 55.850 0.2 . 1 . . . . . 69 ARG CA . 50813 1
268 . 1 . 1 69 69 ARG N N 15 120.114 0.2 . 1 . . . . . 69 ARG N . 50813 1
269 . 1 . 1 70 70 VAL H H 1 7.850 0.02 . 1 . . . . . 70 VAL H . 50813 1
270 . 1 . 1 70 70 VAL CA C 13 62.872 0.2 . 1 . . . . . 70 VAL CA . 50813 1
271 . 1 . 1 70 70 VAL N N 15 120.081 0.2 . 1 . . . . . 70 VAL N . 50813 1
272 . 1 . 1 71 71 PRO C C 13 176.190 0.2 . 1 . . . . . 71 PRO C . 50813 1
273 . 1 . 1 71 71 PRO CA C 13 64.130 0.2 . 1 . . . . . 71 PRO CA . 50813 1
274 . 1 . 1 72 72 ASP H H 1 7.914 0.02 . 1 . . . . . 72 ASP H . 50813 1
275 . 1 . 1 72 72 ASP C C 13 176.190 0.2 . 1 . . . . . 72 ASP C . 50813 1
276 . 1 . 1 72 72 ASP CA C 13 55.115 0.2 . 1 . . . . . 72 ASP CA . 50813 1
277 . 1 . 1 72 72 ASP N N 15 118.016 0.2 . 1 . . . . . 72 ASP N . 50813 1
278 . 1 . 1 73 73 LEU H H 1 7.898 0.02 . 1 . . . . . 73 LEU H . 50813 1
279 . 1 . 1 73 73 LEU C C 13 176.420 0.2 . 1 . . . . . 73 LEU C . 50813 1
280 . 1 . 1 73 73 LEU CA C 13 55.726 0.2 . 1 . . . . . 73 LEU CA . 50813 1
281 . 1 . 1 73 73 LEU N N 15 119.889 0.2 . 1 . . . . . 73 LEU N . 50813 1
282 . 1 . 1 74 74 LEU H H 1 7.809 0.02 . 1 . . . . . 74 LEU H . 50813 1
283 . 1 . 1 74 74 LEU C C 13 175.580 0.2 . 1 . . . . . 74 LEU C . 50813 1
284 . 1 . 1 74 74 LEU CA C 13 55.168 0.2 . 1 . . . . . 74 LEU CA . 50813 1
285 . 1 . 1 74 74 LEU N N 15 118.626 0.2 . 1 . . . . . 74 LEU N . 50813 1
286 . 1 . 1 75 75 VAL H H 1 7.222 0.02 . 1 . . . . . 75 VAL H . 50813 1
287 . 1 . 1 75 75 VAL CA C 13 63.256 0.2 . 1 . . . . . 75 VAL CA . 50813 1
288 . 1 . 1 75 75 VAL N N 15 121.375 0.2 . 1 . . . . . 75 VAL N . 50813 1
stop_
save_