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 50906
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name hDSS1
_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' . . . 50906 1
2 '3D HNCO' . . . 50906 1
3 '3D HN(CA)CO' . . . 50906 1
4 '3D CBCA(CO)NH' . . . 50906 1
5 '3D HN(CA)NNH' . . . 50906 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 . . 50906 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 2 2 MET C C 13 176.538 0.000 . 1 . . . . . 1 MET C . 50906 1
2 . 1 . 1 2 2 MET CA C 13 55.438 0.000 . 1 . . . . . 1 MET CA . 50906 1
3 . 1 . 1 2 2 MET CB C 13 32.588 0.000 . 1 . . . . . 1 MET CB . 50906 1
4 . 1 . 1 3 3 SER H H 1 8.630 0.012 . 1 . . . . . 2 SER H . 50906 1
5 . 1 . 1 3 3 SER C C 13 174.507 0.000 . 1 . . . . . 2 SER C . 50906 1
6 . 1 . 1 3 3 SER CA C 13 58.275 0.001 . 1 . . . . . 2 SER CA . 50906 1
7 . 1 . 1 3 3 SER CB C 13 63.556 0.050 . 1 . . . . . 2 SER CB . 50906 1
8 . 1 . 1 3 3 SER N N 15 117.443 0.136 . 1 . . . . . 2 SER N . 50906 1
9 . 1 . 1 4 4 GLU H H 1 8.565 0.015 . 1 . . . . . 3 GLU H . 50906 1
10 . 1 . 1 4 4 GLU C C 13 176.335 0.003 . 1 . . . . . 3 GLU C . 50906 1
11 . 1 . 1 4 4 GLU CA C 13 56.196 0.094 . 1 . . . . . 3 GLU CA . 50906 1
12 . 1 . 1 4 4 GLU CB C 13 30.119 0.010 . 1 . . . . . 3 GLU CB . 50906 1
13 . 1 . 1 4 4 GLU N N 15 123.092 0.133 . 1 . . . . . 3 GLU N . 50906 1
14 . 1 . 1 5 5 LYS H H 1 8.415 0.014 . 1 . . . . . 4 LYS H . 50906 1
15 . 1 . 1 5 5 LYS C C 13 176.421 0.000 . 1 . . . . . 4 LYS C . 50906 1
16 . 1 . 1 5 5 LYS CA C 13 55.865 0.003 . 1 . . . . . 4 LYS CA . 50906 1
17 . 1 . 1 5 5 LYS CB C 13 32.638 0.042 . 1 . . . . . 4 LYS CB . 50906 1
18 . 1 . 1 5 5 LYS N N 15 122.899 0.119 . 1 . . . . . 4 LYS N . 50906 1
19 . 1 . 1 6 6 LYS H H 1 8.495 0.013 . 1 . . . . . 5 LYS H . 50906 1
20 . 1 . 1 6 6 LYS C C 13 176.384 0.009 . 1 . . . . . 5 LYS C . 50906 1
21 . 1 . 1 6 6 LYS CA C 13 55.754 0.020 . 1 . . . . . 5 LYS CA . 50906 1
22 . 1 . 1 6 6 LYS CB C 13 32.797 0.000 . 1 . . . . . 5 LYS CB . 50906 1
23 . 1 . 1 6 6 LYS N N 15 123.668 0.084 . 1 . . . . . 5 LYS N . 50906 1
24 . 1 . 1 7 7 GLN H H 1 8.608 0.020 . 1 . . . . . 6 GLN H . 50906 1
25 . 1 . 1 7 7 GLN C C 13 174.102 0.000 . 1 . . . . . 6 GLN C . 50906 1
26 . 1 . 1 7 7 GLN CA C 13 53.358 0.000 . 1 . . . . . 6 GLN CA . 50906 1
27 . 1 . 1 7 7 GLN CB C 13 28.538 0.000 . 1 . . . . . 6 GLN CB . 50906 1
28 . 1 . 1 7 7 GLN N N 15 123.358 0.111 . 1 . . . . . 6 GLN N . 50906 1
29 . 1 . 1 8 8 PRO C C 13 176.954 0.000 . 1 . . . . . 7 PRO C . 50906 1
30 . 1 . 1 8 8 PRO CA C 13 62.880 0.000 . 1 . . . . . 7 PRO CA . 50906 1
31 . 1 . 1 8 8 PRO CB C 13 31.860 0.000 . 1 . . . . . 7 PRO CB . 50906 1
32 . 1 . 1 9 9 VAL H H 1 8.292 0.017 . 1 . . . . . 8 VAL H . 50906 1
33 . 1 . 1 9 9 VAL C C 13 175.749 0.000 . 1 . . . . . 8 VAL C . 50906 1
34 . 1 . 1 9 9 VAL CA C 13 62.102 0.027 . 1 . . . . . 8 VAL CA . 50906 1
35 . 1 . 1 9 9 VAL CB C 13 32.587 0.037 . 1 . . . . . 8 VAL CB . 50906 1
36 . 1 . 1 9 9 VAL N N 15 119.887 0.112 . 1 . . . . . 8 VAL N . 50906 1
37 . 1 . 1 10 10 ASP H H 1 8.411 0.016 . 1 . . . . . 9 ASP H . 50906 1
38 . 1 . 1 10 10 ASP C C 13 176.317 0.002 . 1 . . . . . 9 ASP C . 50906 1
39 . 1 . 1 10 10 ASP CA C 13 53.778 0.065 . 1 . . . . . 9 ASP CA . 50906 1
40 . 1 . 1 10 10 ASP CB C 13 40.875 0.008 . 1 . . . . . 9 ASP CB . 50906 1
41 . 1 . 1 10 10 ASP N N 15 123.616 0.068 . 1 . . . . . 9 ASP N . 50906 1
42 . 1 . 1 11 11 LEU H H 1 8.417 0.003 . 1 . . . . . 10 LEU H . 50906 1
43 . 1 . 1 11 11 LEU C C 13 178.210 0.010 . 1 . . . . . 10 LEU C . 50906 1
44 . 1 . 1 11 11 LEU CA C 13 55.344 0.000 . 1 . . . . . 10 LEU CA . 50906 1
45 . 1 . 1 11 11 LEU CB C 13 41.730 0.051 . 1 . . . . . 10 LEU CB . 50906 1
46 . 1 . 1 11 11 LEU N N 15 123.730 0.084 . 1 . . . . . 10 LEU N . 50906 1
47 . 1 . 1 12 12 GLY H H 1 8.566 0.004 . 1 . . . . . 11 GLY H . 50906 1
48 . 1 . 1 12 12 GLY C C 13 174.215 0.000 . 1 . . . . . 11 GLY C . 50906 1
49 . 1 . 1 12 12 GLY CA C 13 45.268 0.004 . 1 . . . . . 11 GLY CA . 50906 1
50 . 1 . 1 12 12 GLY N N 15 108.938 0.171 . 1 . . . . . 11 GLY N . 50906 1
51 . 1 . 1 13 13 LEU H H 1 7.972 0.004 . 1 . . . . . 12 LEU H . 50906 1
52 . 1 . 1 13 13 LEU C C 13 177.276 0.008 . 1 . . . . . 12 LEU C . 50906 1
53 . 1 . 1 13 13 LEU CA C 13 54.668 0.014 . 1 . . . . . 12 LEU CA . 50906 1
54 . 1 . 1 13 13 LEU CB C 13 42.041 0.021 . 1 . . . . . 12 LEU CB . 50906 1
55 . 1 . 1 13 13 LEU N N 15 121.137 0.030 . 1 . . . . . 12 LEU N . 50906 1
56 . 1 . 1 14 14 LEU H H 1 8.277 0.003 . 1 . . . . . 13 LEU H . 50906 1
57 . 1 . 1 14 14 LEU C C 13 177.269 0.011 . 1 . . . . . 13 LEU C . 50906 1
58 . 1 . 1 14 14 LEU CA C 13 54.647 0.012 . 1 . . . . . 13 LEU CA . 50906 1
59 . 1 . 1 14 14 LEU CB C 13 41.952 0.006 . 1 . . . . . 13 LEU CB . 50906 1
60 . 1 . 1 14 14 LEU N N 15 123.040 0.026 . 1 . . . . . 13 LEU N . 50906 1
61 . 1 . 1 15 15 GLU H H 1 8.463 0.002 . 1 . . . . . 14 GLU H . 50906 1
62 . 1 . 1 15 15 GLU C C 13 177.274 0.000 . 1 . . . . . 14 GLU C . 50906 1
63 . 1 . 1 15 15 GLU CA C 13 56.252 0.000 . 1 . . . . . 14 GLU CA . 50906 1
64 . 1 . 1 15 15 GLU CB C 13 30.302 0.008 . 1 . . . . . 14 GLU CB . 50906 1
65 . 1 . 1 15 15 GLU N N 15 122.180 0.041 . 1 . . . . . 14 GLU N . 50906 1
66 . 1 . 1 16 16 GLU H H 1 8.499 0.001 . 1 . . . . . 15 GLU H . 50906 1
67 . 1 . 1 16 16 GLU C C 13 176.169 0.000 . 1 . . . . . 15 GLU C . 50906 1
68 . 1 . 1 16 16 GLU CA C 13 56.236 0.019 . 1 . . . . . 15 GLU CA . 50906 1
69 . 1 . 1 16 16 GLU CB C 13 30.288 0.000 . 1 . . . . . 15 GLU CB . 50906 1
70 . 1 . 1 16 16 GLU N N 15 121.936 0.012 . 1 . . . . . 15 GLU N . 50906 1
71 . 1 . 1 17 17 ASP H H 1 8.484 0.000 . 1 . . . . . 16 ASP H . 50906 1
72 . 1 . 1 17 17 ASP C C 13 176.192 0.011 . 1 . . . . . 16 ASP C . 50906 1
73 . 1 . 1 17 17 ASP CA C 13 54.188 0.013 . 1 . . . . . 16 ASP CA . 50906 1
74 . 1 . 1 17 17 ASP CB C 13 41.057 0.033 . 1 . . . . . 16 ASP CB . 50906 1
75 . 1 . 1 17 17 ASP N N 15 121.923 0.000 . 1 . . . . . 16 ASP N . 50906 1
76 . 1 . 1 18 18 ASP H H 1 8.405 0.001 . 1 . . . . . 17 ASP H . 50906 1
77 . 1 . 1 18 18 ASP C C 13 176.197 0.008 . 1 . . . . . 17 ASP C . 50906 1
78 . 1 . 1 18 18 ASP CA C 13 54.057 0.007 . 1 . . . . . 17 ASP CA . 50906 1
79 . 1 . 1 18 18 ASP CB C 13 40.933 0.004 . 1 . . . . . 17 ASP CB . 50906 1
80 . 1 . 1 18 18 ASP N N 15 121.588 0.140 . 1 . . . . . 17 ASP N . 50906 1
81 . 1 . 1 19 19 GLU H H 1 8.412 0.001 . 1 . . . . . 18 GLU H . 50906 1
82 . 1 . 1 19 19 GLU C C 13 176.073 0.000 . 1 . . . . . 18 GLU C . 50906 1
83 . 1 . 1 19 19 GLU CA C 13 56.179 0.020 . 1 . . . . . 18 GLU CA . 50906 1
84 . 1 . 1 19 19 GLU CB C 13 30.122 0.029 . 1 . . . . . 18 GLU CB . 50906 1
85 . 1 . 1 19 19 GLU N N 15 121.368 0.025 . 1 . . . . . 18 GLU N . 50906 1
86 . 1 . 1 20 20 PHE H H 1 8.295 0.000 . 1 . . . . . 19 PHE H . 50906 1
87 . 1 . 1 20 20 PHE C C 13 175.231 0.000 . 1 . . . . . 19 PHE C . 50906 1
88 . 1 . 1 20 20 PHE CA C 13 57.432 0.001 . 1 . . . . . 19 PHE CA . 50906 1
89 . 1 . 1 20 20 PHE CB C 13 39.583 0.011 . 1 . . . . . 19 PHE CB . 50906 1
90 . 1 . 1 20 20 PHE N N 15 121.544 0.139 . 1 . . . . . 19 PHE N . 50906 1
91 . 1 . 1 21 21 GLU H H 1 8.172 0.009 . 1 . . . . . 20 GLU H . 50906 1
92 . 1 . 1 21 21 GLU C C 13 175.082 0.000 . 1 . . . . . 20 GLU C . 50906 1
93 . 1 . 1 21 21 GLU CA C 13 55.510 0.080 . 1 . . . . . 20 GLU CA . 50906 1
94 . 1 . 1 21 21 GLU CB C 13 30.595 0.013 . 1 . . . . . 20 GLU CB . 50906 1
95 . 1 . 1 21 21 GLU N N 15 124.221 0.109 . 1 . . . . . 20 GLU N . 50906 1
96 . 1 . 1 22 22 GLU H H 1 8.348 0.017 . 1 . . . . . 21 GLU H . 50906 1
97 . 1 . 1 22 22 GLU C C 13 175.725 0.009 . 1 . . . . . 21 GLU C . 50906 1
98 . 1 . 1 22 22 GLU CA C 13 56.075 0.005 . 1 . . . . . 21 GLU CA . 50906 1
99 . 1 . 1 22 22 GLU CB C 13 30.416 0.013 . 1 . . . . . 21 GLU CB . 50906 1
100 . 1 . 1 22 22 GLU N N 15 123.520 0.112 . 1 . . . . . 21 GLU N . 50906 1
101 . 1 . 1 23 23 PHE H H 1 8.491 0.003 . 1 . . . . . 22 PHE H . 50906 1
102 . 1 . 1 23 23 PHE C C 13 173.591 0.000 . 1 . . . . . 22 PHE C . 50906 1
103 . 1 . 1 23 23 PHE CA C 13 54.342 0.000 . 1 . . . . . 22 PHE CA . 50906 1
104 . 1 . 1 23 23 PHE CB C 13 38.923 0.000 . 1 . . . . . 22 PHE CB . 50906 1
105 . 1 . 1 23 23 PHE N N 15 122.021 0.023 . 1 . . . . . 22 PHE N . 50906 1
106 . 1 . 1 24 24 PRO C C 13 176.551 0.000 . 1 . . . . . 23 PRO C . 50906 1
107 . 1 . 1 24 24 PRO CA C 13 62.496 0.000 . 1 . . . . . 23 PRO CA . 50906 1
108 . 1 . 1 24 24 PRO CB C 13 31.848 0.039 . 1 . . . . . 23 PRO CB . 50906 1
109 . 1 . 1 25 25 ALA H H 1 8.518 0.001 . 1 . . . . . 24 ALA H . 50906 1
110 . 1 . 1 25 25 ALA C C 13 178.040 0.000 . 1 . . . . . 24 ALA C . 50906 1
111 . 1 . 1 25 25 ALA CA C 13 52.214 0.000 . 1 . . . . . 24 ALA CA . 50906 1
112 . 1 . 1 25 25 ALA CB C 13 19.121 0.000 . 1 . . . . . 24 ALA CB . 50906 1
113 . 1 . 1 25 25 ALA N N 15 125.137 0.170 . 1 . . . . . 24 ALA N . 50906 1
114 . 1 . 1 26 26 GLU H H 1 8.529 0.005 . 1 . . . . . 25 GLU H . 50906 1
115 . 1 . 1 26 26 GLU C C 13 176.179 0.004 . 1 . . . . . 25 GLU C . 50906 1
116 . 1 . 1 26 26 GLU CA C 13 56.198 0.006 . 1 . . . . . 25 GLU CA . 50906 1
117 . 1 . 1 26 26 GLU CB C 13 30.113 0.002 . 1 . . . . . 25 GLU CB . 50906 1
118 . 1 . 1 26 26 GLU N N 15 120.531 0.022 . 1 . . . . . 25 GLU N . 50906 1
119 . 1 . 1 27 27 ASP H H 1 8.407 0.000 . 1 . . . . . 26 ASP H . 50906 1
120 . 1 . 1 27 27 ASP C C 13 175.977 0.000 . 1 . . . . . 26 ASP C . 50906 1
121 . 1 . 1 27 27 ASP CA C 13 53.808 0.000 . 1 . . . . . 26 ASP CA . 50906 1
122 . 1 . 1 27 27 ASP CB C 13 40.679 0.000 . 1 . . . . . 26 ASP CB . 50906 1
123 . 1 . 1 27 27 ASP N N 15 121.474 0.000 . 1 . . . . . 26 ASP N . 50906 1
124 . 1 . 1 28 28 TRP H H 1 8.171 0.000 . 1 . . . . . 27 TRP H . 50906 1
125 . 1 . 1 28 28 TRP C C 13 176.246 0.000 . 1 . . . . . 27 TRP C . 50906 1
126 . 1 . 1 28 28 TRP CA C 13 57.025 0.000 . 1 . . . . . 27 TRP CA . 50906 1
127 . 1 . 1 28 28 TRP CB C 13 29.160 0.000 . 1 . . . . . 27 TRP CB . 50906 1
128 . 1 . 1 28 28 TRP N N 15 122.173 0.000 . 1 . . . . . 27 TRP N . 50906 1
129 . 1 . 1 29 29 ALA H H 1 8.157 0.000 . 1 . . . . . 28 ALA H . 50906 1
130 . 1 . 1 29 29 ALA C C 13 177.768 0.000 . 1 . . . . . 28 ALA C . 50906 1
131 . 1 . 1 29 29 ALA CA C 13 52.404 0.022 . 1 . . . . . 28 ALA CA . 50906 1
132 . 1 . 1 29 29 ALA CB C 13 18.988 0.000 . 1 . . . . . 28 ALA CB . 50906 1
133 . 1 . 1 29 29 ALA N N 15 126.905 0.112 . 1 . . . . . 28 ALA N . 50906 1
134 . 1 . 1 30 30 GLY H H 1 7.421 0.001 . 1 . . . . . 29 GLY H . 50906 1
135 . 1 . 1 30 30 GLY C C 13 173.863 0.020 . 1 . . . . . 29 GLY C . 50906 1
136 . 1 . 1 30 30 GLY CA C 13 44.830 0.019 . 1 . . . . . 29 GLY CA . 50906 1
137 . 1 . 1 30 30 GLY N N 15 106.864 0.153 . 1 . . . . . 29 GLY N . 50906 1
138 . 1 . 1 31 31 LEU H H 1 8.082 0.000 . 1 . . . . . 30 LEU H . 50906 1
139 . 1 . 1 31 31 LEU C C 13 177.230 0.004 . 1 . . . . . 30 LEU C . 50906 1
140 . 1 . 1 31 31 LEU CA C 13 54.611 0.015 . 1 . . . . . 30 LEU CA . 50906 1
141 . 1 . 1 31 31 LEU CB C 13 42.115 0.034 . 1 . . . . . 30 LEU CB . 50906 1
142 . 1 . 1 31 31 LEU N N 15 121.219 0.000 . 1 . . . . . 30 LEU N . 50906 1
143 . 1 . 1 32 32 ASP H H 1 8.524 0.000 . 1 . . . . . 31 ASP H . 50906 1
144 . 1 . 1 32 32 ASP C C 13 176.296 0.002 . 1 . . . . . 31 ASP C . 50906 1
145 . 1 . 1 32 32 ASP CA C 13 54.159 0.000 . 1 . . . . . 31 ASP CA . 50906 1
146 . 1 . 1 32 32 ASP CB C 13 40.928 0.011 . 1 . . . . . 31 ASP CB . 50906 1
147 . 1 . 1 32 32 ASP N N 15 121.713 0.117 . 1 . . . . . 31 ASP N . 50906 1
148 . 1 . 1 33 33 GLU H H 1 8.446 0.000 . 1 . . . . . 32 GLU H . 50906 1
149 . 1 . 1 33 33 GLU C C 13 176.169 0.000 . 1 . . . . . 32 GLU C . 50906 1
150 . 1 . 1 33 33 GLU CA C 13 56.256 0.000 . 1 . . . . . 32 GLU CA . 50906 1
151 . 1 . 1 33 33 GLU CB C 13 30.304 0.008 . 1 . . . . . 32 GLU CB . 50906 1
152 . 1 . 1 33 33 GLU N N 15 121.509 0.000 . 1 . . . . . 32 GLU N . 50906 1
153 . 1 . 1 34 34 ASP H H 1 8.489 0.001 . 1 . . . . . 33 ASP H . 50906 1
154 . 1 . 1 34 34 ASP C C 13 176.568 0.000 . 1 . . . . . 33 ASP C . 50906 1
155 . 1 . 1 34 34 ASP CA C 13 54.038 0.000 . 1 . . . . . 33 ASP CA . 50906 1
156 . 1 . 1 34 34 ASP CB C 13 40.926 0.004 . 1 . . . . . 33 ASP CB . 50906 1
157 . 1 . 1 34 34 ASP N N 15 121.847 0.002 . 1 . . . . . 33 ASP N . 50906 1
158 . 1 . 1 35 35 GLU H H 1 8.495 0.014 . 1 . . . . . 34 GLU H . 50906 1
159 . 1 . 1 35 35 GLU C C 13 176.165 0.000 . 1 . . . . . 34 GLU C . 50906 1
160 . 1 . 1 35 35 GLU CA C 13 56.412 0.026 . 1 . . . . . 34 GLU CA . 50906 1
161 . 1 . 1 35 35 GLU CB C 13 30.284 0.019 . 1 . . . . . 34 GLU CB . 50906 1
162 . 1 . 1 35 35 GLU N N 15 122.257 0.169 . 1 . . . . . 34 GLU N . 50906 1
163 . 1 . 1 36 36 ASP H H 1 8.475 0.010 . 1 . . . . . 35 ASP H . 50906 1
164 . 1 . 1 36 36 ASP C C 13 175.976 0.000 . 1 . . . . . 35 ASP C . 50906 1
165 . 1 . 1 36 36 ASP CA C 13 54.225 0.057 . 1 . . . . . 35 ASP CA . 50906 1
166 . 1 . 1 36 36 ASP CB C 13 40.819 0.029 . 1 . . . . . 35 ASP CB . 50906 1
167 . 1 . 1 36 36 ASP N N 15 121.351 0.125 . 1 . . . . . 35 ASP N . 50906 1
168 . 1 . 1 37 37 ALA H H 1 8.113 0.015 . 1 . . . . . 36 ALA H . 50906 1
169 . 1 . 1 37 37 ALA C C 13 177.657 0.005 . 1 . . . . . 36 ALA C . 50906 1
170 . 1 . 1 37 37 ALA CA C 13 52.360 0.007 . 1 . . . . . 36 ALA CA . 50906 1
171 . 1 . 1 37 37 ALA CB C 13 18.840 0.016 . 1 . . . . . 36 ALA CB . 50906 1
172 . 1 . 1 37 37 ALA N N 15 124.136 0.000 . 1 . . . . . 36 ALA N . 50906 1
173 . 1 . 1 38 38 HIS H H 1 8.406 0.018 . 1 . . . . . 37 HIS H . 50906 1
174 . 1 . 1 38 38 HIS C C 13 174.684 0.000 . 1 . . . . . 37 HIS C . 50906 1
175 . 1 . 1 38 38 HIS CA C 13 55.341 0.033 . 1 . . . . . 37 HIS CA . 50906 1
176 . 1 . 1 38 38 HIS CB C 13 29.079 0.010 . 1 . . . . . 37 HIS CB . 50906 1
177 . 1 . 1 38 38 HIS N N 15 118.530 0.000 . 1 . . . . . 37 HIS N . 50906 1
178 . 1 . 1 39 39 VAL H H 1 8.046 0.004 . 1 . . . . . 38 VAL H . 50906 1
179 . 1 . 1 39 39 VAL C C 13 175.632 0.000 . 1 . . . . . 38 VAL C . 50906 1
180 . 1 . 1 39 39 VAL CA C 13 62.113 0.005 . 1 . . . . . 38 VAL CA . 50906 1
181 . 1 . 1 39 39 VAL CB C 13 32.390 0.026 . 1 . . . . . 38 VAL CB . 50906 1
182 . 1 . 1 39 39 VAL N N 15 122.092 0.100 . 1 . . . . . 38 VAL N . 50906 1
183 . 1 . 1 40 40 TRP H H 1 8.307 0.000 . 1 . . . . . 39 TRP H . 50906 1
184 . 1 . 1 40 40 TRP C C 13 175.969 0.000 . 1 . . . . . 39 TRP C . 50906 1
185 . 1 . 1 40 40 TRP CA C 13 56.811 0.002 . 1 . . . . . 39 TRP CA . 50906 1
186 . 1 . 1 40 40 TRP CB C 13 29.356 0.049 . 1 . . . . . 39 TRP CB . 50906 1
187 . 1 . 1 40 40 TRP N N 15 125.190 0.142 . 1 . . . . . 39 TRP N . 50906 1
188 . 1 . 1 41 41 GLU H H 1 8.084 0.011 . 1 . . . . . 40 GLU H . 50906 1
189 . 1 . 1 41 41 GLU C C 13 175.539 0.000 . 1 . . . . . 40 GLU C . 50906 1
190 . 1 . 1 41 41 GLU CA C 13 55.747 0.037 . 1 . . . . . 40 GLU CA . 50906 1
191 . 1 . 1 41 41 GLU CB C 13 30.539 0.030 . 1 . . . . . 40 GLU CB . 50906 1
192 . 1 . 1 41 41 GLU N N 15 123.080 0.131 . 1 . . . . . 40 GLU N . 50906 1
193 . 1 . 1 42 42 ASP H H 1 8.248 0.000 . 1 . . . . . 41 ASP H . 50906 1
194 . 1 . 1 42 42 ASP C C 13 175.644 0.000 . 1 . . . . . 41 ASP C . 50906 1
195 . 1 . 1 42 42 ASP CA C 13 54.156 0.020 . 1 . . . . . 41 ASP CA . 50906 1
196 . 1 . 1 42 42 ASP CB C 13 40.880 0.021 . 1 . . . . . 41 ASP CB . 50906 1
197 . 1 . 1 42 42 ASP N N 15 121.473 0.145 . 1 . . . . . 41 ASP N . 50906 1
198 . 1 . 1 43 43 ASN H H 1 8.291 0.000 . 1 . . . . . 42 ASN H . 50906 1
199 . 1 . 1 43 43 ASN C C 13 174.911 0.001 . 1 . . . . . 42 ASN C . 50906 1
200 . 1 . 1 43 43 ASN CA C 13 52.777 0.026 . 1 . . . . . 42 ASN CA . 50906 1
201 . 1 . 1 43 43 ASN CB C 13 38.788 0.016 . 1 . . . . . 42 ASN CB . 50906 1
202 . 1 . 1 43 43 ASN N N 15 118.783 0.151 . 1 . . . . . 42 ASN N . 50906 1
203 . 1 . 1 44 44 TRP H H 1 8.203 0.009 . 1 . . . . . 43 TRP H . 50906 1
204 . 1 . 1 44 44 TRP C C 13 175.923 0.003 . 1 . . . . . 43 TRP C . 50906 1
205 . 1 . 1 44 44 TRP CA C 13 57.000 0.000 . 1 . . . . . 43 TRP CA . 50906 1
206 . 1 . 1 44 44 TRP CB C 13 29.139 0.000 . 1 . . . . . 43 TRP CB . 50906 1
207 . 1 . 1 44 44 TRP N N 15 122.255 0.148 . 1 . . . . . 43 TRP N . 50906 1
208 . 1 . 1 45 45 ASP H H 1 8.191 0.000 . 1 . . . . . 44 ASP H . 50906 1
209 . 1 . 1 45 45 ASP C C 13 175.716 0.000 . 1 . . . . . 44 ASP C . 50906 1
210 . 1 . 1 45 45 ASP CA C 13 53.721 0.000 . 1 . . . . . 44 ASP CA . 50906 1
211 . 1 . 1 45 45 ASP CB C 13 40.880 0.023 . 1 . . . . . 44 ASP CB . 50906 1
212 . 1 . 1 45 45 ASP N N 15 122.328 0.000 . 1 . . . . . 44 ASP N . 50906 1
213 . 1 . 1 46 46 ASP H H 1 8.115 0.000 . 1 . . . . . 45 ASP H . 50906 1
214 . 1 . 1 46 46 ASP C C 13 176.144 0.000 . 1 . . . . . 45 ASP C . 50906 1
215 . 1 . 1 46 46 ASP CA C 13 54.311 0.012 . 1 . . . . . 45 ASP CA . 50906 1
216 . 1 . 1 46 46 ASP CB C 13 41.075 0.000 . 1 . . . . . 45 ASP CB . 50906 1
217 . 1 . 1 46 46 ASP N N 15 121.114 0.146 . 1 . . . . . 45 ASP N . 50906 1
218 . 1 . 1 47 47 ASP H H 1 8.349 0.014 . 1 . . . . . 46 ASP H . 50906 1
219 . 1 . 1 47 47 ASP C C 13 176.069 0.000 . 1 . . . . . 46 ASP C . 50906 1
220 . 1 . 1 47 47 ASP CA C 13 54.132 0.001 . 1 . . . . . 46 ASP CA . 50906 1
221 . 1 . 1 47 47 ASP CB C 13 40.755 0.024 . 1 . . . . . 46 ASP CB . 50906 1
222 . 1 . 1 47 47 ASP N N 15 120.620 0.000 . 1 . . . . . 46 ASP N . 50906 1
223 . 1 . 1 48 48 ASN H H 1 8.335 0.000 . 1 . . . . . 47 ASN H . 50906 1
224 . 1 . 1 48 48 ASN C C 13 175.146 0.000 . 1 . . . . . 47 ASN C . 50906 1
225 . 1 . 1 48 48 ASN CA C 13 53.009 0.005 . 1 . . . . . 47 ASN CA . 50906 1
226 . 1 . 1 48 48 ASN CB C 13 38.781 0.026 . 1 . . . . . 47 ASN CB . 50906 1
227 . 1 . 1 48 48 ASN N N 15 119.321 0.000 . 1 . . . . . 47 ASN N . 50906 1
228 . 1 . 1 49 49 VAL H H 1 8.157 0.010 . 1 . . . . . 48 VAL H . 50906 1
229 . 1 . 1 49 49 VAL C C 13 176.298 0.000 . 1 . . . . . 48 VAL C . 50906 1
230 . 1 . 1 49 49 VAL CA C 13 62.048 0.011 . 1 . . . . . 48 VAL CA . 50906 1
231 . 1 . 1 49 49 VAL CB C 13 32.462 0.000 . 1 . . . . . 48 VAL CB . 50906 1
232 . 1 . 1 49 49 VAL N N 15 120.949 0.000 . 1 . . . . . 48 VAL N . 50906 1
233 . 1 . 1 50 50 GLU H H 1 8.560 0.013 . 1 . . . . . 49 GLU H . 50906 1
234 . 1 . 1 50 50 GLU C C 13 176.256 0.000 . 1 . . . . . 49 GLU C . 50906 1
235 . 1 . 1 50 50 GLU CA C 13 56.228 0.064 . 1 . . . . . 49 GLU CA . 50906 1
236 . 1 . 1 50 50 GLU CB C 13 30.191 0.000 . 1 . . . . . 49 GLU CB . 50906 1
237 . 1 . 1 50 50 GLU N N 15 124.910 0.000 . 1 . . . . . 49 GLU N . 50906 1
238 . 1 . 1 51 51 ASP H H 1 8.394 0.011 . 1 . . . . . 50 ASP H . 50906 1
239 . 1 . 1 51 51 ASP C C 13 175.839 0.000 . 1 . . . . . 50 ASP C . 50906 1
240 . 1 . 1 51 51 ASP CA C 13 54.032 0.063 . 1 . . . . . 50 ASP CA . 50906 1
241 . 1 . 1 51 51 ASP CB C 13 41.045 0.010 . 1 . . . . . 50 ASP CB . 50906 1
242 . 1 . 1 51 51 ASP N N 15 122.014 0.122 . 1 . . . . . 50 ASP N . 50906 1
243 . 1 . 1 52 52 ASP H H 1 8.376 0.012 . 1 . . . . . 51 ASP H . 50906 1
244 . 1 . 1 52 52 ASP C C 13 177.030 0.000 . 1 . . . . . 51 ASP C . 50906 1
245 . 1 . 1 52 52 ASP CA C 13 54.354 0.021 . 1 . . . . . 51 ASP CA . 50906 1
246 . 1 . 1 52 52 ASP CB C 13 40.947 0.001 . 1 . . . . . 51 ASP CB . 50906 1
247 . 1 . 1 52 52 ASP N N 15 120.990 0.146 . 1 . . . . . 51 ASP N . 50906 1
248 . 1 . 1 53 53 PHE H H 1 8.422 0.000 . 1 . . . . . 52 PHE H . 50906 1
249 . 1 . 1 53 53 PHE C C 13 177.056 0.000 . 1 . . . . . 52 PHE C . 50906 1
250 . 1 . 1 53 53 PHE CA C 13 58.867 0.014 . 1 . . . . . 52 PHE CA . 50906 1
251 . 1 . 1 53 53 PHE CB C 13 38.503 0.056 . 1 . . . . . 52 PHE CB . 50906 1
252 . 1 . 1 53 53 PHE N N 15 121.229 0.000 . 1 . . . . . 52 PHE N . 50906 1
253 . 1 . 1 54 54 SER H H 1 8.388 0.014 . 1 . . . . . 53 SER H . 50906 1
254 . 1 . 1 54 54 SER C C 13 175.801 0.000 . 1 . . . . . 53 SER C . 50906 1
255 . 1 . 1 54 54 SER CA C 13 60.076 0.008 . 1 . . . . . 53 SER CA . 50906 1
256 . 1 . 1 54 54 SER CB C 13 62.864 0.000 . 1 . . . . . 53 SER CB . 50906 1
257 . 1 . 1 54 54 SER N N 15 116.285 0.154 . 1 . . . . . 53 SER N . 50906 1
258 . 1 . 1 55 55 ASN H H 1 8.387 0.000 . 1 . . . . . 54 ASN H . 50906 1
259 . 1 . 1 55 55 ASN C C 13 176.593 0.000 . 1 . . . . . 54 ASN C . 50906 1
260 . 1 . 1 55 55 ASN CA C 13 54.385 0.000 . 1 . . . . . 54 ASN CA . 50906 1
261 . 1 . 1 55 55 ASN CB C 13 38.052 0.038 . 1 . . . . . 54 ASN CB . 50906 1
262 . 1 . 1 55 55 ASN N N 15 120.679 0.000 . 1 . . . . . 54 ASN N . 50906 1
263 . 1 . 1 56 56 GLN H H 1 8.257 0.000 . 1 . . . . . 55 GLN H . 50906 1
264 . 1 . 1 56 56 GLN C C 13 177.247 0.000 . 1 . . . . . 55 GLN C . 50906 1
265 . 1 . 1 56 56 GLN CA C 13 57.237 0.011 . 1 . . . . . 55 GLN CA . 50906 1
266 . 1 . 1 56 56 GLN CB C 13 28.481 0.055 . 1 . . . . . 55 GLN CB . 50906 1
267 . 1 . 1 56 56 GLN N N 15 120.758 0.126 . 1 . . . . . 55 GLN N . 50906 1
268 . 1 . 1 57 57 LEU H H 1 8.122 0.000 . 1 . . . . . 56 LEU H . 50906 1
269 . 1 . 1 57 57 LEU C C 13 178.477 0.000 . 1 . . . . . 56 LEU C . 50906 1
270 . 1 . 1 57 57 LEU CA C 13 56.235 0.043 . 1 . . . . . 56 LEU CA . 50906 1
271 . 1 . 1 57 57 LEU CB C 13 41.362 0.036 . 1 . . . . . 56 LEU CB . 50906 1
272 . 1 . 1 57 57 LEU N N 15 121.841 0.000 . 1 . . . . . 56 LEU N . 50906 1
273 . 1 . 1 58 58 ARG H H 1 8.098 0.000 . 1 . . . . . 57 ARG H . 50906 1
274 . 1 . 1 58 58 ARG C C 13 177.344 0.031 . 1 . . . . . 57 ARG C . 50906 1
275 . 1 . 1 58 58 ARG CA C 13 57.520 0.006 . 1 . . . . . 57 ARG CA . 50906 1
276 . 1 . 1 58 58 ARG CB C 13 30.019 0.000 . 1 . . . . . 57 ARG CB . 50906 1
277 . 1 . 1 58 58 ARG N N 15 120.497 0.000 . 1 . . . . . 57 ARG N . 50906 1
278 . 1 . 1 59 59 ALA H H 1 8.131 0.000 . 1 . . . . . 58 ALA H . 50906 1
279 . 1 . 1 59 59 ALA C C 13 179.329 0.000 . 1 . . . . . 58 ALA C . 50906 1
280 . 1 . 1 59 59 ALA CA C 13 53.663 0.023 . 1 . . . . . 58 ALA CA . 50906 1
281 . 1 . 1 59 59 ALA CB C 13 18.388 0.031 . 1 . . . . . 58 ALA CB . 50906 1
282 . 1 . 1 59 59 ALA N N 15 122.877 0.020 . 1 . . . . . 58 ALA N . 50906 1
283 . 1 . 1 60 60 GLU H H 1 8.184 0.002 . 1 . . . . . 59 GLU H . 50906 1
284 . 1 . 1 60 60 GLU C C 13 177.838 0.000 . 1 . . . . . 59 GLU C . 50906 1
285 . 1 . 1 60 60 GLU CA C 13 57.414 0.006 . 1 . . . . . 59 GLU CA . 50906 1
286 . 1 . 1 60 60 GLU CB C 13 29.454 0.080 . 1 . . . . . 59 GLU CB . 50906 1
287 . 1 . 1 60 60 GLU N N 15 119.138 0.003 . 1 . . . . . 59 GLU N . 50906 1
288 . 1 . 1 61 61 LEU H H 1 8.086 0.000 . 1 . . . . . 60 LEU H . 50906 1
289 . 1 . 1 61 61 LEU C C 13 178.809 0.000 . 1 . . . . . 60 LEU C . 50906 1
290 . 1 . 1 61 61 LEU CA C 13 56.231 0.041 . 1 . . . . . 60 LEU CA . 50906 1
291 . 1 . 1 61 61 LEU CB C 13 41.592 0.031 . 1 . . . . . 60 LEU CB . 50906 1
292 . 1 . 1 61 61 LEU N N 15 121.083 0.000 . 1 . . . . . 60 LEU N . 50906 1
293 . 1 . 1 62 62 GLU H H 1 8.180 0.000 . 1 . . . . . 61 GLU H . 50906 1
294 . 1 . 1 62 62 GLU C C 13 177.453 0.000 . 1 . . . . . 61 GLU C . 50906 1
295 . 1 . 1 62 62 GLU CA C 13 57.208 0.000 . 1 . . . . . 61 GLU CA . 50906 1
296 . 1 . 1 62 62 GLU CB C 13 29.638 0.083 . 1 . . . . . 61 GLU CB . 50906 1
297 . 1 . 1 62 62 GLU N N 15 119.723 0.171 . 1 . . . . . 61 GLU N . 50906 1
298 . 1 . 1 63 63 LYS H H 1 7.982 0.015 . 1 . . . . . 62 LYS H . 50906 1
299 . 1 . 1 63 63 LYS C C 13 176.983 0.000 . 1 . . . . . 62 LYS C . 50906 1
300 . 1 . 1 63 63 LYS CA C 13 56.954 0.000 . 1 . . . . . 62 LYS CA . 50906 1
301 . 1 . 1 63 63 LYS CB C 13 32.448 0.000 . 1 . . . . . 62 LYS CB . 50906 1
302 . 1 . 1 63 63 LYS N N 15 120.580 0.069 . 1 . . . . . 62 LYS N . 50906 1
303 . 1 . 1 64 64 HIS H H 1 8.145 0.016 . 1 . . . . . 63 HIS H . 50906 1
304 . 1 . 1 64 64 HIS C C 13 175.927 0.000 . 1 . . . . . 63 HIS C . 50906 1
305 . 1 . 1 64 64 HIS CA C 13 56.090 0.049 . 1 . . . . . 63 HIS CA . 50906 1
306 . 1 . 1 64 64 HIS CB C 13 30.178 0.000 . 1 . . . . . 63 HIS CB . 50906 1
307 . 1 . 1 64 64 HIS N N 15 118.435 0.249 . 1 . . . . . 63 HIS N . 50906 1
308 . 1 . 1 65 65 GLY H H 1 8.275 0.014 . 1 . . . . . 64 GLY H . 50906 1
309 . 1 . 1 65 65 GLY C C 13 173.853 0.000 . 1 . . . . . 64 GLY C . 50906 1
310 . 1 . 1 65 65 GLY CA C 13 45.129 0.000 . 1 . . . . . 64 GLY CA . 50906 1
311 . 1 . 1 65 65 GLY N N 15 109.361 0.000 . 1 . . . . . 64 GLY N . 50906 1
312 . 1 . 1 66 66 TYR H H 1 8.078 0.000 . 1 . . . . . 65 TYR H . 50906 1
313 . 1 . 1 66 66 TYR C C 13 175.482 0.000 . 1 . . . . . 65 TYR C . 50906 1
314 . 1 . 1 66 66 TYR CA C 13 57.832 0.034 . 1 . . . . . 65 TYR CA . 50906 1
315 . 1 . 1 66 66 TYR CB C 13 38.550 0.002 . 1 . . . . . 65 TYR CB . 50906 1
316 . 1 . 1 66 66 TYR N N 15 120.242 0.000 . 1 . . . . . 65 TYR N . 50906 1
317 . 1 . 1 67 67 LYS H H 1 8.222 0.000 . 1 . . . . . 66 LYS H . 50906 1
318 . 1 . 1 67 67 LYS C C 13 175.754 0.007 . 1 . . . . . 66 LYS C . 50906 1
319 . 1 . 1 67 67 LYS CA C 13 55.630 0.000 . 1 . . . . . 66 LYS CA . 50906 1
320 . 1 . 1 67 67 LYS CB C 13 32.936 0.060 . 1 . . . . . 66 LYS CB . 50906 1
321 . 1 . 1 67 67 LYS N N 15 123.974 0.000 . 1 . . . . . 66 LYS N . 50906 1
322 . 1 . 1 68 68 MET H H 1 8.445 0.014 . 1 . . . . . 67 MET H . 50906 1
323 . 1 . 1 68 68 MET C C 13 176.277 0.000 . 1 . . . . . 67 MET C . 50906 1
324 . 1 . 1 68 68 MET CA C 13 55.180 0.028 . 1 . . . . . 67 MET CA . 50906 1
325 . 1 . 1 68 68 MET CB C 13 32.557 0.000 . 1 . . . . . 67 MET CB . 50906 1
326 . 1 . 1 68 68 MET N N 15 122.648 0.000 . 1 . . . . . 67 MET N . 50906 1
327 . 1 . 1 69 69 GLU H H 1 8.631 0.010 . 1 . . . . . 68 GLU H . 50906 1
328 . 1 . 1 69 69 GLU C C 13 176.600 0.000 . 1 . . . . . 68 GLU C . 50906 1
329 . 1 . 1 69 69 GLU CA C 13 56.327 0.012 . 1 . . . . . 68 GLU CA . 50906 1
330 . 1 . 1 69 69 GLU CB C 13 30.200 0.000 . 1 . . . . . 68 GLU CB . 50906 1
331 . 1 . 1 69 69 GLU N N 15 123.044 0.000 . 1 . . . . . 68 GLU N . 50906 1
332 . 1 . 1 70 70 THR H H 1 8.346 0.000 . 1 . . . . . 69 THR H . 50906 1
333 . 1 . 1 70 70 THR C C 13 173.850 0.000 . 1 . . . . . 69 THR C . 50906 1
334 . 1 . 1 70 70 THR CA C 13 61.437 0.016 . 1 . . . . . 69 THR CA . 50906 1
335 . 1 . 1 70 70 THR CB C 13 69.740 0.010 . 1 . . . . . 69 THR CB . 50906 1
336 . 1 . 1 70 70 THR N N 15 115.162 0.102 . 1 . . . . . 69 THR N . 50906 1
337 . 1 . 1 71 71 SER H H 1 8.104 0.003 . 1 . . . . . 70 SER H . 50906 1
338 . 1 . 1 71 71 SER C C 13 177.638 0.000 . 1 . . . . . 70 SER C . 50906 1
339 . 1 . 1 71 71 SER CA C 13 59.902 0.000 . 1 . . . . . 70 SER CA . 50906 1
340 . 1 . 1 71 71 SER CB C 13 64.506 0.000 . 1 . . . . . 70 SER CB . 50906 1
341 . 1 . 1 71 71 SER N N 15 123.806 0.075 . 1 . . . . . 70 SER N . 50906 1
stop_
save_