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 50687
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Nsp2_CtIDR 29xii20 chemical shifts'
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.05
_Assigned_chem_shift_list.Chem_shift_15N_err 0.01
_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 'Analysis of variation of chemical shift values for the same nucleus in different spectra.'
_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
2 '2D 1H-15N HSQC' . . . 50687 1
6 '3D CBCA(CO)NH' . . . 50687 1
7 '3D HNCO' . . . 50687 1
8 '3D HNCA' . . . 50687 1
9 '2D CON' . . . 50687 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 . . 50687 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 LYS C C 13 176.383 0.05 . 1 . . . . . 1 LYS CO . 50687 1
2 . 1 . 1 1 1 LYS CA C 13 56.378 0.05 . 1 . . . . . 1 LYS CA . 50687 1
3 . 1 . 1 1 1 LYS CB C 13 33.130 0.05 . 1 . . . . . 1 LYS CB . 50687 1
4 . 1 . 1 2 2 GLU H H 1 8.834 0.01 . 1 . . . . . 2 GLU HN . 50687 1
5 . 1 . 1 2 2 GLU C C 13 176.056 0.05 . 1 . . . . . 2 GLU CO . 50687 1
6 . 1 . 1 2 2 GLU CA C 13 56.546 0.05 . 1 . . . . . 2 GLU CA . 50687 1
7 . 1 . 1 2 2 GLU CB C 13 30.114 0.05 . 1 . . . . . 2 GLU CB . 50687 1
8 . 1 . 1 2 2 GLU N N 15 123.231 0.01 . 1 . . . . . 2 GLU N . 50687 1
9 . 1 . 1 3 3 ILE H H 1 8.481 0.01 . 1 . . . . . 3 ILE HN . 50687 1
10 . 1 . 1 3 3 ILE C C 13 175.726 0.05 . 1 . . . . . 3 ILE CO . 50687 1
11 . 1 . 1 3 3 ILE CA C 13 60.869 0.05 . 1 . . . . . 3 ILE CA . 50687 1
12 . 1 . 1 3 3 ILE CB C 13 38.387 0.05 . 1 . . . . . 3 ILE CB . 50687 1
13 . 1 . 1 3 3 ILE N N 15 123.697 0.01 . 1 . . . . . 3 ILE N . 50687 1
14 . 1 . 1 4 4 ILE H H 1 8.387 0.01 . 1 . . . . . 4 ILE HN . 50687 1
15 . 1 . 1 4 4 ILE C C 13 175.435 0.05 . 1 . . . . . 4 ILE CO . 50687 1
16 . 1 . 1 4 4 ILE CA C 13 60.353 0.05 . 1 . . . . . 4 ILE CA . 50687 1
17 . 1 . 1 4 4 ILE CB C 13 38.956 0.05 . 1 . . . . . 4 ILE CB . 50687 1
18 . 1 . 1 4 4 ILE N N 15 126.531 0.01 . 1 . . . . . 4 ILE N . 50687 1
19 . 1 . 1 5 5 PHE H H 1 8.644 0.01 . 1 . . . . . 5 PHE HN . 50687 1
20 . 1 . 1 5 5 PHE C C 13 175.300 0.05 . 1 . . . . . 5 PHE CO . 50687 1
21 . 1 . 1 5 5 PHE CA C 13 57.511 0.05 . 1 . . . . . 5 PHE CA . 50687 1
22 . 1 . 1 5 5 PHE CB C 13 39.819 0.05 . 1 . . . . . 5 PHE CB . 50687 1
23 . 1 . 1 5 5 PHE N N 15 126.143 0.01 . 1 . . . . . 5 PHE N . 50687 1
24 . 1 . 1 6 6 LEU H H 1 8.556 0.01 . 1 . . . . . 6 LEU HN . 50687 1
25 . 1 . 1 6 6 LEU C C 13 176.781 0.05 . 1 . . . . . 6 LEU CO . 50687 1
26 . 1 . 1 6 6 LEU CA C 13 54.561 0.05 . 1 . . . . . 6 LEU CA . 50687 1
27 . 1 . 1 6 6 LEU CB C 13 42.492 0.05 . 1 . . . . . 6 LEU CB . 50687 1
28 . 1 . 1 6 6 LEU N N 15 126.024 0.01 . 1 . . . . . 6 LEU N . 50687 1
29 . 1 . 1 7 7 GLU H H 1 8.561 0.01 . 1 . . . . . 7 GLU HN . 50687 1
30 . 1 . 1 7 7 GLU C C 13 177.101 0.05 . 1 . . . . . 7 GLU CO . 50687 1
31 . 1 . 1 7 7 GLU CA C 13 57.097 0.05 . 1 . . . . . 7 GLU CA . 50687 1
32 . 1 . 1 7 7 GLU CB C 13 30.071 0.05 . 1 . . . . . 7 GLU CB . 50687 1
33 . 1 . 1 7 7 GLU N N 15 122.561 0.01 . 1 . . . . . 7 GLU N . 50687 1
34 . 1 . 1 8 8 GLY H H 1 8.675 0.01 . 1 . . . . . 8 GLY HN . 50687 1
35 . 1 . 1 8 8 GLY C C 13 174.056 0.05 . 1 . . . . . 8 GLY CO . 50687 1
36 . 1 . 1 8 8 GLY CA C 13 45.204 0.05 . 1 . . . . . 8 GLY CA . 50687 1
37 . 1 . 1 8 8 GLY N N 15 111.117 0.01 . 1 . . . . . 8 GLY N . 50687 1
38 . 1 . 1 9 9 GLU H H 1 8.322 0.01 . 1 . . . . . 9 GLU HN . 50687 1
39 . 1 . 1 9 9 GLU C C 13 176.544 0.05 . 1 . . . . . 9 GLU CO . 50687 1
40 . 1 . 1 9 9 GLU CA C 13 56.281 0.05 . 1 . . . . . 9 GLU CA . 50687 1
41 . 1 . 1 9 9 GLU CB C 13 30.710 0.05 . 1 . . . . . 9 GLU CB . 50687 1
42 . 1 . 1 9 9 GLU N N 15 120.634 0.01 . 1 . . . . . 9 GLU N . 50687 1
43 . 1 . 1 10 10 THR H H 1 8.507 0.01 . 1 . . . . . 10 THR HN . 50687 1
44 . 1 . 1 10 10 THR C C 13 174.269 0.05 . 1 . . . . . 10 THR CO . 50687 1
45 . 1 . 1 10 10 THR CA C 13 61.918 0.05 . 1 . . . . . 10 THR CA . 50687 1
46 . 1 . 1 10 10 THR CB C 13 69.904 0.05 . 1 . . . . . 10 THR CB . 50687 1
47 . 1 . 1 10 10 THR N N 15 116.887 0.01 . 1 . . . . . 10 THR N . 50687 1
48 . 1 . 1 11 11 LEU H H 1 8.586 0.01 . 1 . . . . . 11 LEU HN . 50687 1
49 . 1 . 1 11 11 LEU CA C 13 53.003 0.05 . 1 . . . . . 11 LEU CA . 50687 1
50 . 1 . 1 11 11 LEU N N 15 127.321 0.01 . 1 . . . . . 11 LEU N . 50687 1
51 . 1 . 1 12 12 PRO C C 13 177.012 0.05 . 1 . . . . . 12 PRO CO . 50687 1
52 . 1 . 1 12 12 PRO CA C 13 62.993 0.05 . 1 . . . . . 12 PRO CA . 50687 1
53 . 1 . 1 12 12 PRO CB C 13 32.245 0.05 . 1 . . . . . 12 PRO CB . 50687 1
54 . 1 . 1 13 13 THR H H 1 8.451 0.01 . 1 . . . . . 13 THR HN . 50687 1
55 . 1 . 1 13 13 THR C C 13 174.452 0.05 . 1 . . . . . 13 THR CO . 50687 1
56 . 1 . 1 13 13 THR CA C 13 62.021 0.05 . 1 . . . . . 13 THR CA . 50687 1
57 . 1 . 1 13 13 THR CB C 13 69.892 0.05 . 1 . . . . . 13 THR CB . 50687 1
58 . 1 . 1 13 13 THR N N 15 115.520 0.01 . 1 . . . . . 13 THR N . 50687 1
59 . 1 . 1 14 14 GLU H H 1 8.587 0.01 . 1 . . . . . 14 GLU HN . 50687 1
60 . 1 . 1 14 14 GLU C C 13 176.046 0.05 . 1 . . . . . 14 GLU CO . 50687 1
61 . 1 . 1 14 14 GLU CA C 13 56.339 0.05 . 1 . . . . . 14 GLU CA . 50687 1
62 . 1 . 1 14 14 GLU CB C 13 30.534 0.05 . 1 . . . . . 14 GLU CB . 50687 1
63 . 1 . 1 14 14 GLU N N 15 124.299 0.01 . 1 . . . . . 14 GLU N . 50687 1
64 . 1 . 1 15 15 VAL H H 1 8.522 0.01 . 1 . . . . . 15 VAL HN . 50687 1
65 . 1 . 1 15 15 VAL C C 13 175.984 0.05 . 1 . . . . . 15 VAL CO . 50687 1
66 . 1 . 1 15 15 VAL CA C 13 62.284 0.05 . 1 . . . . . 15 VAL CA . 50687 1
67 . 1 . 1 15 15 VAL CB C 13 32.818 0.05 . 1 . . . . . 15 VAL CB . 50687 1
68 . 1 . 1 15 15 VAL N N 15 123.481 0.01 . 1 . . . . . 15 VAL N . 50687 1
69 . 1 . 1 16 16 LEU H H 1 8.675 0.01 . 1 . . . . . 16 LEU HN . 50687 1
70 . 1 . 1 16 16 LEU C C 13 177.432 0.05 . 1 . . . . . 16 LEU CO . 50687 1
71 . 1 . 1 16 16 LEU CA C 13 54.818 0.05 . 1 . . . . . 16 LEU CA . 50687 1
72 . 1 . 1 16 16 LEU CB C 13 42.382 0.05 . 1 . . . . . 16 LEU CB . 50687 1
73 . 1 . 1 16 16 LEU N N 15 127.801 0.01 . 1 . . . . . 16 LEU N . 50687 1
74 . 1 . 1 17 17 THR H H 1 8.414 0.01 . 1 . . . . . 17 THR HN . 50687 1
75 . 1 . 1 17 17 THR C C 13 174.335 0.05 . 1 . . . . . 17 THR CO . 50687 1
76 . 1 . 1 17 17 THR CA C 13 61.752 0.05 . 1 . . . . . 17 THR CA . 50687 1
77 . 1 . 1 17 17 THR CB C 13 69.899 0.05 . 1 . . . . . 17 THR CB . 50687 1
78 . 1 . 1 17 17 THR N N 15 116.608 0.01 . 1 . . . . . 17 THR N . 50687 1
79 . 1 . 1 18 18 GLU H H 1 8.625 0.01 . 1 . . . . . 18 GLU HN . 50687 1
80 . 1 . 1 18 18 GLU C C 13 176.186 0.05 . 1 . . . . . 18 GLU CO . 50687 1
81 . 1 . 1 18 18 GLU CA C 13 56.300 0.05 . 1 . . . . . 18 GLU CA . 50687 1
82 . 1 . 1 18 18 GLU CB C 13 30.564 0.05 . 1 . . . . . 18 GLU CB . 50687 1
83 . 1 . 1 18 18 GLU N N 15 123.758 0.01 . 1 . . . . . 18 GLU N . 50687 1
84 . 1 . 1 19 19 GLU H H 1 8.652 0.01 . 1 . . . . . 19 GLU HN . 50687 1
85 . 1 . 1 19 19 GLU C C 13 176.367 0.05 . 1 . . . . . 19 GLU CO . 50687 1
86 . 1 . 1 19 19 GLU CA C 13 56.406 0.05 . 1 . . . . . 19 GLU CA . 50687 1
87 . 1 . 1 19 19 GLU CB C 13 30.486 0.05 . 1 . . . . . 19 GLU CB . 50687 1
88 . 1 . 1 19 19 GLU N N 15 123.243 0.01 . 1 . . . . . 19 GLU N . 50687 1
89 . 1 . 1 20 20 VAL H H 1 8.514 0.01 . 1 . . . . . 20 VAL HN . 50687 1
90 . 1 . 1 20 20 VAL C C 13 176.089 0.05 . 1 . . . . . 20 VAL CO . 50687 1
91 . 1 . 1 20 20 VAL CA C 13 62.614 0.05 . 1 . . . . . 20 VAL CA . 50687 1
92 . 1 . 1 20 20 VAL CB C 13 32.663 0.05 . 1 . . . . . 20 VAL CB . 50687 1
93 . 1 . 1 20 20 VAL N N 15 123.755 0.01 . 1 . . . . . 20 VAL N . 50687 1
94 . 1 . 1 21 21 VAL H H 1 8.519 0.01 . 1 . . . . . 21 VAL HN . 50687 1
95 . 1 . 1 21 21 VAL C C 13 176.050 0.05 . 1 . . . . . 21 VAL CO . 50687 1
96 . 1 . 1 21 21 VAL CA C 13 62.316 0.05 . 1 . . . . . 21 VAL CA . 50687 1
97 . 1 . 1 21 21 VAL CB C 13 32.770 0.05 . 1 . . . . . 21 VAL CB . 50687 1
98 . 1 . 1 21 21 VAL N N 15 126.633 0.01 . 1 . . . . . 21 VAL N . 50687 1
99 . 1 . 1 22 22 LEU H H 1 8.616 0.01 . 1 . . . . . 22 LEU HN . 50687 1
100 . 1 . 1 22 22 LEU C C 13 177.139 0.05 . 1 . . . . . 22 LEU CO . 50687 1
101 . 1 . 1 22 22 LEU CA C 13 54.917 0.05 . 1 . . . . . 22 LEU CA . 50687 1
102 . 1 . 1 22 22 LEU CB C 13 42.378 0.05 . 1 . . . . . 22 LEU CB . 50687 1
103 . 1 . 1 22 22 LEU N N 15 127.728 0.01 . 1 . . . . . 22 LEU N . 50687 1
104 . 1 . 1 23 23 LYS H H 1 8.656 0.01 . 1 . . . . . 23 LYS HN . 50687 1
105 . 1 . 1 23 23 LYS C C 13 176.802 0.05 . 1 . . . . . 23 LYS CO . 50687 1
106 . 1 . 1 23 23 LYS CA C 13 56.011 0.04 . 1 . . . . . 23 LYS CA . 50687 1
107 . 1 . 1 23 23 LYS CB C 13 33.075 0.05 . 1 . . . . . 23 LYS CB . 50687 1
108 . 1 . 1 23 23 LYS N N 15 123.913 0.01 . 1 . . . . . 23 LYS N . 50687 1
109 . 1 . 1 24 24 THR H H 1 8.407 0.01 . 1 . . . . . 24 THR HN . 50687 1
110 . 1 . 1 24 24 THR C C 13 175.174 0.05 . 1 . . . . . 24 THR CO . 50687 1
111 . 1 . 1 24 24 THR CA C 13 62.041 0.05 . 1 . . . . . 24 THR CA . 50687 1
112 . 1 . 1 24 24 THR CB C 13 69.866 0.05 . 1 . . . . . 24 THR CB . 50687 1
113 . 1 . 1 24 24 THR N N 15 116.028 0.01 . 1 . . . . . 24 THR N . 50687 1
114 . 1 . 1 25 25 GLY H H 1 8.624 0.01 . 1 . . . . . 25 GLY HN . 50687 1
115 . 1 . 1 25 25 GLY C C 13 173.859 0.05 . 1 . . . . . 25 GLY CO . 50687 1
116 . 1 . 1 25 25 GLY CA C 13 45.219 0.04 . 1 . . . . . 25 GLY CA . 50687 1
117 . 1 . 1 25 25 GLY N N 15 111.191 0.01 . 1 . . . . . 25 GLY N . 50687 1
118 . 1 . 1 26 26 ASP H H 1 8.395 0.01 . 1 . . . . . 26 ASP HN . 50687 1
119 . 1 . 1 26 26 ASP C C 13 176.288 0.05 . 1 . . . . . 26 ASP CO . 50687 1
120 . 1 . 1 26 26 ASP CA C 13 54.422 0.05 . 1 . . . . . 26 ASP CA . 50687 1
121 . 1 . 1 26 26 ASP CB C 13 41.126 0.05 . 1 . . . . . 26 ASP CB . 50687 1
122 . 1 . 1 26 26 ASP N N 15 120.655 0.01 . 1 . . . . . 26 ASP N . 50687 1
123 . 1 . 1 27 27 LEU H H 1 8.413 0.01 . 1 . . . . . 27 LEU HN . 50687 1
124 . 1 . 1 27 27 LEU C C 13 177.299 0.05 . 1 . . . . . 27 LEU CO . 50687 1
125 . 1 . 1 27 27 LEU CA C 13 55.082 0.05 . 1 . . . . . 27 LEU CA . 50687 1
126 . 1 . 1 27 27 LEU CB C 13 42.502 0.05 . 1 . . . . . 27 LEU CB . 50687 1
127 . 1 . 1 27 27 LEU N N 15 122.450 0.01 . 1 . . . . . 27 LEU N . 50687 1
128 . 1 . 1 28 28 GLN H H 1 8.566 0.01 . 1 . . . . . 28 GLN HN . 50687 1
129 . 1 . 1 28 28 GLN C C 13 173.927 0.05 . 1 . . . . . 28 GLN CO . 50687 1
130 . 1 . 1 28 28 GLN CA C 13 53.527 0.05 . 1 . . . . . 28 GLN CA . 50687 1
131 . 1 . 1 28 28 GLN N N 15 122.884 0.01 . 1 . . . . . 28 GLN N . 50687 1
132 . 1 . 1 29 29 PRO C C 13 176.833 0.05 . 1 . . . . . 29 PRO CO . 50687 1
133 . 1 . 1 29 29 PRO CA C 13 62.908 0.05 . 1 . . . . . 29 PRO CA . 50687 1
134 . 1 . 1 29 29 PRO CB C 13 32.236 0.05 . 1 . . . . . 29 PRO CB . 50687 1
135 . 1 . 1 29 29 PRO N N 15 137.307 0.01 . 1 . . . . . 29 PRO N . 50687 1
136 . 1 . 1 30 30 LEU H H 1 8.571 0.01 . 1 . . . . . 30 LEU HN . 50687 1
137 . 1 . 1 30 30 LEU C C 13 177.575 0.05 . 1 . . . . . 30 LEU CO . 50687 1
138 . 1 . 1 30 30 LEU CA C 13 55.103 0.05 . 1 . . . . . 30 LEU CA . 50687 1
139 . 1 . 1 30 30 LEU CB C 13 42.530 0.05 . 1 . . . . . 30 LEU CB . 50687 1
140 . 1 . 1 30 30 LEU N N 15 122.765 0.01 . 1 . . . . . 30 LEU N . 50687 1
141 . 1 . 1 31 31 GLU H H 1 8.557 0.01 . 1 . . . . . 31 GLU HN . 50687 1
142 . 1 . 1 31 31 GLU C C 13 176.260 0.05 . 1 . . . . . 31 GLU CO . 50687 1
143 . 1 . 1 31 31 GLU CA C 13 56.185 0.05 . 1 . . . . . 31 GLU CA . 50687 1
144 . 1 . 1 31 31 GLU CB C 13 30.648 0.05 . 1 . . . . . 31 GLU CB . 50687 1
145 . 1 . 1 31 31 GLU N N 15 122.305 0.01 . 1 . . . . . 31 GLU N . 50687 1
146 . 1 . 1 32 32 GLN H H 1 8.651 0.01 . 1 . . . . . 32 GLN HN . 50687 1
147 . 1 . 1 32 32 GLN C C 13 173.949 0.05 . 1 . . . . . 32 GLN CO . 50687 1
148 . 1 . 1 32 32 GLN CA C 13 53.464 0.05 . 1 . . . . . 32 GLN CA . 50687 1
149 . 1 . 1 32 32 GLN N N 15 123.235 0.01 . 1 . . . . . 32 GLN N . 50687 1
150 . 1 . 1 33 33 PRO C C 13 177.202 0.05 . 1 . . . . . 33 PRO CO . 50687 1
151 . 1 . 1 33 33 PRO CA C 13 63.058 0.05 . 1 . . . . . 33 PRO CA . 50687 1
152 . 1 . 1 33 33 PRO CB C 13 32.360 0.05 . 1 . . . . . 33 PRO CB . 50687 1
153 . 1 . 1 33 33 PRO N N 15 137.483 0.05 . 1 . . . . . 33 PRO N . 50687 1
154 . 1 . 1 34 34 THR H H 1 8.572 0.015 . 1 . . . . . 34 THR HN . 50687 1
155 . 1 . 1 34 34 THR C C 13 174.695 0.05 . 1 . . . . . 34 THR CO . 50687 1
156 . 1 . 1 34 34 THR CA C 13 61.881 0.02 . 1 . . . . . 34 THR CA . 50687 1
157 . 1 . 1 34 34 THR CB C 13 69.904 0.05 . 1 . . . . . 34 THR CB . 50687 1
158 . 1 . 1 34 34 THR N N 15 115.436 0.01 . 1 . . . . . 34 THR N . 50687 1
159 . 1 . 1 35 35 SER H H 1 8.563 0.01 . 1 . . . . . 35 SER HN . 50687 1
160 . 1 . 1 35 35 SER C C 13 174.423 0.05 . 1 . . . . . 35 SER CO . 50687 1
161 . 1 . 1 35 35 SER CA C 13 58.254 0.05 . 1 . . . . . 35 SER CA . 50687 1
162 . 1 . 1 35 35 SER CB C 13 63.942 0.05 . 1 . . . . . 35 SER CB . 50687 1
163 . 1 . 1 35 35 SER N N 15 118.343 0.01 . 1 . . . . . 35 SER N . 50687 1
164 . 1 . 1 36 36 GLU H H 1 8.633 0.01 . 1 . . . . . 36 GLU HN . 50687 1
165 . 1 . 1 36 36 GLU C C 13 176.092 0.05 . 1 . . . . . 36 GLU CO . 50687 1
166 . 1 . 1 36 36 GLU CA C 13 56.334 0.05 . 1 . . . . . 36 GLU CA . 50687 1
167 . 1 . 1 36 36 GLU CB C 13 30.392 0.05 . 1 . . . . . 36 GLU CB . 50687 1
168 . 1 . 1 36 36 GLU N N 15 123.220 0.01 . 1 . . . . . 36 GLU N . 50687 1
169 . 1 . 1 37 37 ALA H H 1 8.513 0.01 . 1 . . . . . 37 ALA HN . 50687 1
170 . 1 . 1 37 37 ALA C C 13 177.596 0.05 . 1 . . . . . 37 ALA CO . 50687 1
171 . 1 . 1 37 37 ALA CA C 13 52.385 0.05 . 1 . . . . . 37 ALA CA . 50687 1
172 . 1 . 1 37 37 ALA CB C 13 19.162 0.05 . 1 . . . . . 37 ALA CB . 50687 1
173 . 1 . 1 37 37 ALA N N 15 125.923 0.01 . 1 . . . . . 37 ALA N . 50687 1
174 . 1 . 1 38 38 VAL H H 1 8.356 0.01 . 1 . . . . . 38 VAL HN . 50687 1
175 . 1 . 1 38 38 VAL C C 13 176.240 0.05 . 1 . . . . . 38 VAL CO . 50687 1
176 . 1 . 1 38 38 VAL CA C 13 61.974 0.05 . 1 . . . . . 38 VAL CA . 50687 1
177 . 1 . 1 38 38 VAL CB C 13 33.065 0.05 . 1 . . . . . 38 VAL CB . 50687 1
178 . 1 . 1 38 38 VAL N N 15 120.556 0.01 . 1 . . . . . 38 VAL N . 50687 1
179 . 1 . 1 39 39 GLU H H 1 8.674 0.01 . 1 . . . . . 39 GLU HN . 50687 1
180 . 1 . 1 39 39 GLU C C 13 175.686 0.05 . 1 . . . . . 39 GLU CO . 50687 1
181 . 1 . 1 39 39 GLU CA C 13 56.175 0.05 . 1 . . . . . 39 GLU CA . 50687 1
182 . 1 . 1 39 39 GLU CB C 13 30.491 0.05 . 1 . . . . . 39 GLU CB . 50687 1
183 . 1 . 1 39 39 GLU N N 15 125.839 0.01 . 1 . . . . . 39 GLU N . 50687 1
184 . 1 . 1 40 40 ALA H H 1 8.597 0.01 . 1 . . . . . 40 ALA HN . 50687 1
185 . 1 . 1 40 40 ALA C C 13 175.684 0.05 . 1 . . . . . 40 ALA CO . 50687 1
186 . 1 . 1 40 40 ALA CA C 13 50.456 0.05 . 1 . . . . . 40 ALA CA . 50687 1
187 . 1 . 1 40 40 ALA N N 15 127.719 0.01 . 1 . . . . . 40 ALA N . 50687 1
188 . 1 . 1 41 41 PRO C C 13 176.832 0.05 . 1 . . . . . 41 PRO CO . 50687 1
189 . 1 . 1 41 41 PRO CA C 13 62.806 0.05 . 1 . . . . . 41 PRO CA . 50687 1
190 . 1 . 1 41 41 PRO CB C 13 32.245 0.05 . 1 . . . . . 41 PRO CB . 50687 1
191 . 1 . 1 42 42 LEU H H 1 8.575 0.01 . 1 . . . . . 42 LEU HN . 50687 1
192 . 1 . 1 42 42 LEU C C 13 177.675 0.05 . 1 . . . . . 42 LEU CO . 50687 1
193 . 1 . 1 42 42 LEU CA C 13 55.139 0.05 . 1 . . . . . 42 LEU CA . 50687 1
194 . 1 . 1 42 42 LEU CB C 13 42.239 0.05 . 1 . . . . . 42 LEU CB . 50687 1
195 . 1 . 1 42 42 LEU N N 15 123.087 0.01 . 1 . . . . . 42 LEU N . 50687 1
196 . 1 . 1 43 43 VAL H H 1 8.397 0.01 . 1 . . . . . 43 VAL HN . 50687 1
197 . 1 . 1 43 43 VAL C C 13 176.500 0.05 . 1 . . . . . 43 VAL CO . 50687 1
198 . 1 . 1 43 43 VAL CA C 13 62.445 0.05 . 1 . . . . . 43 VAL CA . 50687 1
199 . 1 . 1 43 43 VAL CB C 13 32.856 0.05 . 1 . . . . . 43 VAL CB . 50687 1
200 . 1 . 1 43 43 VAL N N 15 122.600 0.01 . 1 . . . . . 43 VAL N . 50687 1
201 . 1 . 1 44 44 GLY H H 1 8.732 0.01 . 1 . . . . . 44 GLY HN . 50687 1
202 . 1 . 1 44 44 GLY C C 13 173.599 0.05 . 1 . . . . . 44 GLY CO . 50687 1
203 . 1 . 1 44 44 GLY CA C 13 45.238 0.05 . 1 . . . . . 44 GLY CA . 50687 1
204 . 1 . 1 44 44 GLY N N 15 113.713 0.01 . 1 . . . . . 44 GLY N . 50687 1
205 . 1 . 1 45 45 THR H H 1 7.876 0.01 . 1 . . . . . 45 THR HN . 50687 1
206 . 1 . 1 45 45 THR CA C 13 63.150 0.05 . 1 . . . . . 45 THR CA . 50687 1
207 . 1 . 1 45 45 THR N N 15 118.670 0.01 . 1 . . . . . 45 THR N . 50687 1
stop_
save_