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 52883
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assigned Backbone Chemical Shifts of PstA c-di-AMP without His-Tag'
_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 TROSY' . . . 52883 1
3 '3D HNCA' . . . 52883 1
4 '3D HNCACB' . . . 52883 1
5 '3D HNCO' . . . 52883 1
6 '3D HN(CA)CO' . . . 52883 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 . . 52883 1
2 $software_2 . . 52883 1
3 $software_3 . . 52883 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 8.719 0.012 . 1 . . . . . 1 MET H . 52883 1
2 . 1 . 1 1 1 MET C C 13 172.700 0.012 . 1 . . . . . 1 MET C . 52883 1
3 . 1 . 1 1 1 MET CA C 13 51.303 0.014 . 1 . . . . . 1 MET CA . 52883 1
4 . 1 . 1 1 1 MET CB C 13 32.149 0.000 . 1 . . . . . 1 MET CB . 52883 1
5 . 1 . 1 1 1 MET N N 15 120.063 0.042 . 1 . . . . . 1 MET N . 52883 1
6 . 1 . 1 2 2 LYS H H 1 9.023 0.004 . 1 . . . . . 2 LYS H . 52883 1
7 . 1 . 1 2 2 LYS C C 13 172.235 0.007 . 1 . . . . . 2 LYS C . 52883 1
8 . 1 . 1 2 2 LYS CA C 13 49.924 0.000 . 1 . . . . . 2 LYS CA . 52883 1
9 . 1 . 1 2 2 LYS CB C 13 32.434 0.000 . 1 . . . . . 2 LYS CB . 52883 1
10 . 1 . 1 2 2 LYS N N 15 117.087 0.052 . 1 . . . . . 2 LYS N . 52883 1
11 . 1 . 1 3 3 MET H H 1 9.353 0.010 . 1 . . . . . 3 MET H . 52883 1
12 . 1 . 1 3 3 MET C C 13 171.528 0.000 . 1 . . . . . 3 MET C . 52883 1
13 . 1 . 1 3 3 MET CA C 13 50.150 0.000 . 1 . . . . . 3 MET CA . 52883 1
14 . 1 . 1 3 3 MET CB C 13 29.473 0.000 . 1 . . . . . 3 MET CB . 52883 1
15 . 1 . 1 3 3 MET N N 15 120.655 0.160 . 1 . . . . . 3 MET N . 52883 1
16 . 1 . 1 4 4 ILE H H 1 9.194 0.005 . 1 . . . . . 4 ILE H . 52883 1
17 . 1 . 1 4 4 ILE C C 13 173.125 0.000 . 1 . . . . . 4 ILE C . 52883 1
18 . 1 . 1 4 4 ILE CB C 13 33.735 0.000 . 1 . . . . . 4 ILE CB . 52883 1
19 . 1 . 1 4 4 ILE N N 15 130.560 0.023 . 1 . . . . . 4 ILE N . 52883 1
20 . 1 . 1 5 5 ILE H H 1 8.905 0.003 . 1 . . . . . 5 ILE H . 52883 1
21 . 1 . 1 5 5 ILE C C 13 172.776 0.000 . 1 . . . . . 5 ILE C . 52883 1
22 . 1 . 1 5 5 ILE CB C 13 36.083 0.000 . 1 . . . . . 5 ILE CB . 52883 1
23 . 1 . 1 5 5 ILE N N 15 126.371 0.084 . 1 . . . . . 5 ILE N . 52883 1
24 . 1 . 1 6 6 ALA H H 1 9.281 0.007 . 1 . . . . . 6 ALA H . 52883 1
25 . 1 . 1 6 6 ALA C C 13 172.468 0.000 . 1 . . . . . 6 ALA C . 52883 1
26 . 1 . 1 6 6 ALA CA C 13 46.435 0.000 . 1 . . . . . 6 ALA CA . 52883 1
27 . 1 . 1 6 6 ALA CB C 13 18.033 0.000 . 1 . . . . . 6 ALA CB . 52883 1
28 . 1 . 1 6 6 ALA N N 15 128.478 0.050 . 1 . . . . . 6 ALA N . 52883 1
29 . 1 . 1 7 7 ILE H H 1 9.453 0.003 . 1 . . . . . 7 ILE H . 52883 1
30 . 1 . 1 7 7 ILE C C 13 174.647 0.000 . 1 . . . . . 7 ILE C . 52883 1
31 . 1 . 1 7 7 ILE CA C 13 59.218 0.000 . 1 . . . . . 7 ILE CA . 52883 1
32 . 1 . 1 7 7 ILE CB C 13 36.015 0.000 . 1 . . . . . 7 ILE CB . 52883 1
33 . 1 . 1 7 7 ILE N N 15 125.546 0.019 . 1 . . . . . 7 ILE N . 52883 1
34 . 1 . 1 8 8 VAL H H 1 9.533 0.003 . 1 . . . . . 8 VAL H . 52883 1
35 . 1 . 1 8 8 VAL C C 13 172.366 0.000 . 1 . . . . . 8 VAL C . 52883 1
36 . 1 . 1 8 8 VAL CA C 13 55.801 0.051 . 1 . . . . . 8 VAL CA . 52883 1
37 . 1 . 1 8 8 VAL CB C 13 31.807 0.002 . 1 . . . . . 8 VAL CB . 52883 1
38 . 1 . 1 8 8 VAL N N 15 122.251 0.055 . 1 . . . . . 8 VAL N . 52883 1
39 . 1 . 1 9 9 GLN H H 1 9.793 0.002 . 1 . . . . . 9 GLN H . 52883 1
40 . 1 . 1 9 9 GLN C C 13 176.817 0.000 . 1 . . . . . 9 GLN C . 52883 1
41 . 1 . 1 9 9 GLN CA C 13 52.213 0.017 . 1 . . . . . 9 GLN CA . 52883 1
42 . 1 . 1 9 9 GLN CB C 13 25.672 0.017 . 1 . . . . . 9 GLN CB . 52883 1
43 . 1 . 1 9 9 GLN N N 15 118.703 0.069 . 1 . . . . . 9 GLN N . 52883 1
44 . 1 . 1 10 10 ASP H H 1 9.483 0.004 . 1 . . . . . 10 ASP H . 52883 1
45 . 1 . 1 10 10 ASP C C 13 178.372 0.000 . 1 . . . . . 10 ASP C . 52883 1
46 . 1 . 1 10 10 ASP CA C 13 55.056 0.004 . 1 . . . . . 10 ASP CA . 52883 1
47 . 1 . 1 10 10 ASP CB C 13 36.400 0.000 . 1 . . . . . 10 ASP CB . 52883 1
48 . 1 . 1 10 10 ASP N N 15 124.147 0.030 . 1 . . . . . 10 ASP N . 52883 1
49 . 1 . 1 11 11 GLN H H 1 9.089 0.000 . 1 . . . . . 11 GLN H . 52883 1
50 . 1 . 1 11 11 GLN C C 13 173.954 0.000 . 1 . . . . . 11 GLN C . 52883 1
51 . 1 . 1 11 11 GLN CA C 13 55.300 0.090 . 1 . . . . . 11 GLN CA . 52883 1
52 . 1 . 1 11 11 GLN CB C 13 24.306 0.000 . 1 . . . . . 11 GLN CB . 52883 1
53 . 1 . 1 11 11 GLN N N 15 117.107 0.007 . 1 . . . . . 11 GLN N . 52883 1
54 . 1 . 1 12 12 ASP H H 1 7.551 0.004 . 1 . . . . . 12 ASP H . 52883 1
55 . 1 . 1 12 12 ASP C C 13 174.513 0.030 . 1 . . . . . 12 ASP C . 52883 1
56 . 1 . 1 12 12 ASP CA C 13 51.929 0.073 . 1 . . . . . 12 ASP CA . 52883 1
57 . 1 . 1 12 12 ASP CB C 13 39.871 0.009 . 1 . . . . . 12 ASP CB . 52883 1
58 . 1 . 1 12 12 ASP N N 15 117.914 0.037 . 1 . . . . . 12 ASP N . 52883 1
59 . 1 . 1 13 13 SER H H 1 7.735 0.005 . 1 . . . . . 13 SER H . 52883 1
60 . 1 . 1 13 13 SER CA C 13 59.857 0.045 . 1 . . . . . 13 SER CA . 52883 1
61 . 1 . 1 13 13 SER N N 15 115.086 0.038 . 1 . . . . . 13 SER N . 52883 1
62 . 1 . 1 15 15 GLU H H 1 8.358 0.006 . 1 . . . . . 15 GLU H . 52883 1
63 . 1 . 1 15 15 GLU C C 13 177.084 0.000 . 1 . . . . . 15 GLU C . 52883 1
64 . 1 . 1 15 15 GLU CA C 13 55.897 0.000 . 1 . . . . . 15 GLU CA . 52883 1
65 . 1 . 1 15 15 GLU CB C 13 25.277 0.000 . 1 . . . . . 15 GLU CB . 52883 1
66 . 1 . 1 15 15 GLU N N 15 120.083 0.038 . 1 . . . . . 15 GLU N . 52883 1
67 . 1 . 1 16 16 LEU H H 1 8.197 0.006 . 1 . . . . . 16 LEU H . 52883 1
68 . 1 . 1 16 16 LEU C C 13 175.593 0.000 . 1 . . . . . 16 LEU C . 52883 1
69 . 1 . 1 16 16 LEU CA C 13 55.004 0.000 . 1 . . . . . 16 LEU CA . 52883 1
70 . 1 . 1 16 16 LEU CB C 13 36.155 0.000 . 1 . . . . . 16 LEU CB . 52883 1
71 . 1 . 1 16 16 LEU N N 15 117.013 0.042 . 1 . . . . . 16 LEU N . 52883 1
72 . 1 . 1 17 17 ALA H H 1 8.259 0.003 . 1 . . . . . 17 ALA H . 52883 1
73 . 1 . 1 17 17 ALA C C 13 177.562 0.012 . 1 . . . . . 17 ALA C . 52883 1
74 . 1 . 1 17 17 ALA CA C 13 53.027 0.000 . 1 . . . . . 17 ALA CA . 52883 1
75 . 1 . 1 17 17 ALA CB C 13 14.101 0.000 . 1 . . . . . 17 ALA CB . 52883 1
76 . 1 . 1 17 17 ALA N N 15 120.241 0.044 . 1 . . . . . 17 ALA N . 52883 1
77 . 1 . 1 18 18 ASP H H 1 8.335 0.004 . 1 . . . . . 18 ASP H . 52883 1
78 . 1 . 1 18 18 ASP C C 13 177.183 0.000 . 1 . . . . . 18 ASP C . 52883 1
79 . 1 . 1 18 18 ASP CA C 13 54.456 0.067 . 1 . . . . . 18 ASP CA . 52883 1
80 . 1 . 1 18 18 ASP CB C 13 36.878 0.000 . 1 . . . . . 18 ASP CB . 52883 1
81 . 1 . 1 18 18 ASP N N 15 117.017 0.036 . 1 . . . . . 18 ASP N . 52883 1
82 . 1 . 1 19 19 GLN H H 1 8.483 0.001 . 1 . . . . . 19 GLN H . 52883 1
83 . 1 . 1 19 19 GLN C C 13 178.020 0.000 . 1 . . . . . 19 GLN C . 52883 1
84 . 1 . 1 19 19 GLN CA C 13 55.008 0.000 . 1 . . . . . 19 GLN CA . 52883 1
85 . 1 . 1 19 19 GLN CB C 13 24.780 0.000 . 1 . . . . . 19 GLN CB . 52883 1
86 . 1 . 1 19 19 GLN N N 15 119.170 0.015 . 1 . . . . . 19 GLN N . 52883 1
87 . 1 . 1 20 20 LEU H H 1 8.981 0.001 . 1 . . . . . 20 LEU H . 52883 1
88 . 1 . 1 20 20 LEU CA C 13 55.723 0.000 . 1 . . . . . 20 LEU CA . 52883 1
89 . 1 . 1 20 20 LEU CB C 13 36.470 0.000 . 1 . . . . . 20 LEU CB . 52883 1
90 . 1 . 1 20 20 LEU N N 15 121.874 0.005 . 1 . . . . . 20 LEU N . 52883 1
91 . 1 . 1 21 21 VAL H H 1 7.989 0.001 . 1 . . . . . 21 VAL H . 52883 1
92 . 1 . 1 21 21 VAL C C 13 179.138 0.000 . 1 . . . . . 21 VAL C . 52883 1
93 . 1 . 1 21 21 VAL CA C 13 63.542 0.000 . 1 . . . . . 21 VAL CA . 52883 1
94 . 1 . 1 21 21 VAL CB C 13 28.510 0.000 . 1 . . . . . 21 VAL CB . 52883 1
95 . 1 . 1 21 21 VAL N N 15 118.577 0.005 . 1 . . . . . 21 VAL N . 52883 1
96 . 1 . 1 22 22 LYS H H 1 8.329 0.005 . 1 . . . . . 22 LYS H . 52883 1
97 . 1 . 1 22 22 LYS C C 13 175.172 0.000 . 1 . . . . . 22 LYS C . 52883 1
98 . 1 . 1 22 22 LYS CA C 13 55.645 0.000 . 1 . . . . . 22 LYS CA . 52883 1
99 . 1 . 1 22 22 LYS CB C 13 28.331 0.000 . 1 . . . . . 22 LYS CB . 52883 1
100 . 1 . 1 22 22 LYS N N 15 120.589 0.045 . 1 . . . . . 22 LYS N . 52883 1
101 . 1 . 1 23 23 ASN H H 1 7.457 0.008 . 1 . . . . . 23 ASN H . 52883 1
102 . 1 . 1 23 23 ASN C C 13 170.024 0.000 . 1 . . . . . 23 ASN C . 52883 1
103 . 1 . 1 23 23 ASN CA C 13 50.794 0.000 . 1 . . . . . 23 ASN CA . 52883 1
104 . 1 . 1 23 23 ASN CB C 13 36.680 0.000 . 1 . . . . . 23 ASN CB . 52883 1
105 . 1 . 1 23 23 ASN N N 15 114.330 0.082 . 1 . . . . . 23 ASN N . 52883 1
106 . 1 . 1 24 24 ASN H H 1 8.186 0.004 . 1 . . . . . 24 ASN H . 52883 1
107 . 1 . 1 24 24 ASN C C 13 172.306 0.000 . 1 . . . . . 24 ASN C . 52883 1
108 . 1 . 1 24 24 ASN CA C 13 51.427 0.000 . 1 . . . . . 24 ASN CA . 52883 1
109 . 1 . 1 24 24 ASN CB C 13 33.507 0.000 . 1 . . . . . 24 ASN CB . 52883 1
110 . 1 . 1 24 24 ASN N N 15 113.680 0.048 . 1 . . . . . 24 ASN N . 52883 1
111 . 1 . 1 25 25 PHE H H 1 8.503 0.006 . 1 . . . . . 25 PHE H . 52883 1
112 . 1 . 1 25 25 PHE C C 13 172.445 0.000 . 1 . . . . . 25 PHE C . 52883 1
113 . 1 . 1 25 25 PHE CA C 13 55.047 0.000 . 1 . . . . . 25 PHE CA . 52883 1
114 . 1 . 1 25 25 PHE CB C 13 37.259 0.000 . 1 . . . . . 25 PHE CB . 52883 1
115 . 1 . 1 25 25 PHE N N 15 117.080 0.048 . 1 . . . . . 25 PHE N . 52883 1
116 . 1 . 1 26 26 ARG H H 1 8.329 0.004 . 1 . . . . . 26 ARG H . 52883 1
117 . 1 . 1 26 26 ARG C C 13 172.517 0.000 . 1 . . . . . 26 ARG C . 52883 1
118 . 1 . 1 26 26 ARG CA C 13 50.878 0.048 . 1 . . . . . 26 ARG CA . 52883 1
119 . 1 . 1 26 26 ARG CB C 13 27.979 0.000 . 1 . . . . . 26 ARG CB . 52883 1
120 . 1 . 1 26 26 ARG N N 15 120.589 0.042 . 1 . . . . . 26 ARG N . 52883 1
121 . 1 . 1 27 27 ALA H H 1 8.774 0.005 . 1 . . . . . 27 ALA H . 52883 1
122 . 1 . 1 27 27 ALA C C 13 173.653 0.000 . 1 . . . . . 27 ALA C . 52883 1
123 . 1 . 1 27 27 ALA CA C 13 48.704 0.000 . 1 . . . . . 27 ALA CA . 52883 1
124 . 1 . 1 27 27 ALA CB C 13 21.473 0.000 . 1 . . . . . 27 ALA CB . 52883 1
125 . 1 . 1 27 27 ALA N N 15 118.420 0.042 . 1 . . . . . 27 ALA N . 52883 1
126 . 1 . 1 28 28 THR H H 1 9.081 0.002 . 1 . . . . . 28 THR H . 52883 1
127 . 1 . 1 28 28 THR C C 13 169.639 0.000 . 1 . . . . . 28 THR C . 52883 1
128 . 1 . 1 28 28 THR CA C 13 60.564 0.000 . 1 . . . . . 28 THR CA . 52883 1
129 . 1 . 1 28 28 THR CB C 13 69.622 0.000 . 1 . . . . . 28 THR CB . 52883 1
130 . 1 . 1 28 28 THR N N 15 116.940 0.014 . 1 . . . . . 28 THR N . 52883 1
131 . 1 . 1 29 29 LYS H H 1 9.587 0.003 . 1 . . . . . 29 LYS H . 52883 1
132 . 1 . 1 29 29 LYS C C 13 172.512 0.005 . 1 . . . . . 29 LYS C . 52883 1
133 . 1 . 1 29 29 LYS CA C 13 52.417 0.000 . 1 . . . . . 29 LYS CA . 52883 1
134 . 1 . 1 29 29 LYS CB C 13 31.500 0.000 . 1 . . . . . 29 LYS CB . 52883 1
135 . 1 . 1 29 29 LYS N N 15 126.201 0.087 . 1 . . . . . 29 LYS N . 52883 1
136 . 1 . 1 30 30 LEU H H 1 9.335 0.002 . 1 . . . . . 30 LEU H . 52883 1
137 . 1 . 1 30 30 LEU C C 13 172.670 0.000 . 1 . . . . . 30 LEU C . 52883 1
138 . 1 . 1 30 30 LEU CB C 13 9.330 0.000 . 1 . . . . . 30 LEU CB . 52883 1
139 . 1 . 1 30 30 LEU N N 15 124.194 0.102 . 1 . . . . . 30 LEU N . 52883 1
140 . 1 . 1 31 31 ALA H H 1 8.645 0.004 . 1 . . . . . 31 ALA H . 52883 1
141 . 1 . 1 31 31 ALA C C 13 174.645 0.000 . 1 . . . . . 31 ALA C . 52883 1
142 . 1 . 1 31 31 ALA CA C 13 49.155 0.000 . 1 . . . . . 31 ALA CA . 52883 1
143 . 1 . 1 31 31 ALA CB C 13 15.153 0.000 . 1 . . . . . 31 ALA CB . 52883 1
144 . 1 . 1 31 31 ALA N N 15 125.828 0.033 . 1 . . . . . 31 ALA N . 52883 1
145 . 1 . 1 32 32 THR H H 1 8.445 0.001 . 1 . . . . . 32 THR H . 52883 1
146 . 1 . 1 32 32 THR C C 13 172.735 0.000 . 1 . . . . . 32 THR C . 52883 1
147 . 1 . 1 32 32 THR CA C 13 57.291 0.000 . 1 . . . . . 32 THR CA . 52883 1
148 . 1 . 1 32 32 THR CB C 13 68.975 0.000 . 1 . . . . . 32 THR CB . 52883 1
149 . 1 . 1 32 32 THR N N 15 116.026 0.020 . 1 . . . . . 32 THR N . 52883 1
150 . 1 . 1 33 33 THR H H 1 8.742 0.002 . 1 . . . . . 33 THR H . 52883 1
151 . 1 . 1 33 33 THR C C 13 172.316 0.000 . 1 . . . . . 33 THR C . 52883 1
152 . 1 . 1 33 33 THR CA C 13 57.937 0.000 . 1 . . . . . 33 THR CA . 52883 1
153 . 1 . 1 33 33 THR CB C 13 69.467 0.000 . 1 . . . . . 33 THR CB . 52883 1
154 . 1 . 1 33 33 THR N N 15 112.918 0.030 . 1 . . . . . 33 THR N . 52883 1
155 . 1 . 1 34 34 GLY H H 1 8.549 0.007 . 1 . . . . . 34 GLY H . 52883 1
156 . 1 . 1 34 34 GLY C C 13 174.168 0.013 . 1 . . . . . 34 GLY C . 52883 1
157 . 1 . 1 34 34 GLY CA C 13 43.288 0.000 . 1 . . . . . 34 GLY CA . 52883 1
158 . 1 . 1 34 34 GLY N N 15 111.130 0.058 . 1 . . . . . 34 GLY N . 52883 1
159 . 1 . 1 35 35 GLY H H 1 8.800 0.001 . 1 . . . . . 35 GLY H . 52883 1
160 . 1 . 1 35 35 GLY C C 13 171.863 0.000 . 1 . . . . . 35 GLY C . 52883 1
161 . 1 . 1 35 35 GLY CA C 13 43.999 0.000 . 1 . . . . . 35 GLY CA . 52883 1
162 . 1 . 1 35 35 GLY N N 15 113.641 0.067 . 1 . . . . . 35 GLY N . 52883 1
163 . 1 . 1 36 36 PHE H H 1 9.752 0.002 . 1 . . . . . 36 PHE H . 52883 1
164 . 1 . 1 36 36 PHE C C 13 175.044 0.000 . 1 . . . . . 36 PHE C . 52883 1
165 . 1 . 1 36 36 PHE CA C 13 57.501 0.000 . 1 . . . . . 36 PHE CA . 52883 1
166 . 1 . 1 36 36 PHE CB C 13 37.913 0.000 . 1 . . . . . 36 PHE CB . 52883 1
167 . 1 . 1 36 36 PHE N N 15 121.460 0.030 . 1 . . . . . 36 PHE N . 52883 1
168 . 1 . 1 37 37 LEU H H 1 8.829 0.005 . 1 . . . . . 37 LEU H . 52883 1
169 . 1 . 1 37 37 LEU C C 13 175.724 0.000 . 1 . . . . . 37 LEU C . 52883 1
170 . 1 . 1 37 37 LEU CA C 13 52.063 0.000 . 1 . . . . . 37 LEU CA . 52883 1
171 . 1 . 1 37 37 LEU CB C 13 37.946 0.000 . 1 . . . . . 37 LEU CB . 52883 1
172 . 1 . 1 37 37 LEU N N 15 116.186 0.033 . 1 . . . . . 37 LEU N . 52883 1
173 . 1 . 1 38 38 ARG H H 1 7.374 0.005 . 1 . . . . . 38 ARG H . 52883 1
174 . 1 . 1 38 38 ARG C C 13 172.484 0.000 . 1 . . . . . 38 ARG C . 52883 1
175 . 1 . 1 38 38 ARG CA C 13 53.109 0.000 . 1 . . . . . 38 ARG CA . 52883 1
176 . 1 . 1 38 38 ARG CB C 13 22.764 0.000 . 1 . . . . . 38 ARG CB . 52883 1
177 . 1 . 1 38 38 ARG N N 15 111.810 0.056 . 1 . . . . . 38 ARG N . 52883 1
178 . 1 . 1 39 39 ALA H H 1 7.824 0.006 . 1 . . . . . 39 ALA H . 52883 1
179 . 1 . 1 39 39 ALA C C 13 175.023 0.000 . 1 . . . . . 39 ALA C . 52883 1
180 . 1 . 1 39 39 ALA CA C 13 47.171 0.000 . 1 . . . . . 39 ALA CA . 52883 1
181 . 1 . 1 39 39 ALA CB C 13 18.041 0.000 . 1 . . . . . 39 ALA CB . 52883 1
182 . 1 . 1 39 39 ALA N N 15 120.821 0.007 . 1 . . . . . 39 ALA N . 52883 1
183 . 1 . 1 40 40 GLY H H 1 8.522 0.003 . 1 . . . . . 40 GLY H . 52883 1
184 . 1 . 1 40 40 GLY C C 13 171.862 0.000 . 1 . . . . . 40 GLY C . 52883 1
185 . 1 . 1 40 40 GLY CA C 13 43.273 0.000 . 1 . . . . . 40 GLY CA . 52883 1
186 . 1 . 1 40 40 GLY N N 15 107.006 0.036 . 1 . . . . . 40 GLY N . 52883 1
187 . 1 . 1 41 41 ASN H H 1 9.118 0.001 . 1 . . . . . 41 ASN H . 52883 1
188 . 1 . 1 41 41 ASN C C 13 171.701 0.000 . 1 . . . . . 41 ASN C . 52883 1
189 . 1 . 1 41 41 ASN CA C 13 49.791 0.000 . 1 . . . . . 41 ASN CA . 52883 1
190 . 1 . 1 41 41 ASN CB C 13 34.845 0.000 . 1 . . . . . 41 ASN CB . 52883 1
191 . 1 . 1 41 41 ASN N N 15 124.380 0.004 . 1 . . . . . 41 ASN N . 52883 1
192 . 1 . 1 42 42 THR H H 1 8.698 0.003 . 1 . . . . . 42 THR H . 52883 1
193 . 1 . 1 42 42 THR C C 13 169.938 0.000 . 1 . . . . . 42 THR C . 52883 1
194 . 1 . 1 42 42 THR CA C 13 59.941 0.000 . 1 . . . . . 42 THR CA . 52883 1
195 . 1 . 1 42 42 THR CB C 13 69.077 0.000 . 1 . . . . . 42 THR CB . 52883 1
196 . 1 . 1 42 42 THR N N 15 113.562 0.080 . 1 . . . . . 42 THR N . 52883 1
197 . 1 . 1 43 43 THR H H 1 8.666 0.005 . 1 . . . . . 43 THR H . 52883 1
198 . 1 . 1 43 43 THR C C 13 171.171 0.000 . 1 . . . . . 43 THR C . 52883 1
199 . 1 . 1 43 43 THR CA C 13 59.126 0.000 . 1 . . . . . 43 THR CA . 52883 1
200 . 1 . 1 43 43 THR CB C 13 66.460 0.000 . 1 . . . . . 43 THR CB . 52883 1
201 . 1 . 1 43 43 THR N N 15 123.126 0.013 . 1 . . . . . 43 THR N . 52883 1
202 . 1 . 1 44 44 PHE H H 1 9.940 0.003 . 1 . . . . . 44 PHE H . 52883 1
203 . 1 . 1 44 44 PHE C C 13 172.244 0.000 . 1 . . . . . 44 PHE C . 52883 1
204 . 1 . 1 44 44 PHE CA C 13 54.227 0.000 . 1 . . . . . 44 PHE CA . 52883 1
205 . 1 . 1 44 44 PHE CB C 13 38.327 0.000 . 1 . . . . . 44 PHE CB . 52883 1
206 . 1 . 1 44 44 PHE N N 15 125.170 0.021 . 1 . . . . . 44 PHE N . 52883 1
207 . 1 . 1 45 45 LEU H H 1 9.335 0.002 . 1 . . . . . 45 LEU H . 52883 1
208 . 1 . 1 45 45 LEU C C 13 175.173 0.000 . 1 . . . . . 45 LEU C . 52883 1
209 . 1 . 1 45 45 LEU CA C 13 51.142 0.000 . 1 . . . . . 45 LEU CA . 52883 1
210 . 1 . 1 45 45 LEU CB C 13 39.544 0.000 . 1 . . . . . 45 LEU CB . 52883 1
211 . 1 . 1 45 45 LEU N N 15 121.005 0.059 . 1 . . . . . 45 LEU N . 52883 1
212 . 1 . 1 46 46 CYS H H 1 9.457 0.003 . 1 . . . . . 46 CYS H . 52883 1
213 . 1 . 1 46 46 CYS C C 13 172.073 0.000 . 1 . . . . . 46 CYS C . 52883 1
214 . 1 . 1 46 46 CYS CA C 13 53.543 0.000 . 1 . . . . . 46 CYS CA . 52883 1
215 . 1 . 1 46 46 CYS CB C 13 27.178 0.000 . 1 . . . . . 46 CYS CB . 52883 1
216 . 1 . 1 46 46 CYS N N 15 122.289 0.040 . 1 . . . . . 46 CYS N . 52883 1
217 . 1 . 1 47 47 GLY H H 1 11.226 0.002 . 1 . . . . . 47 GLY H . 52883 1
218 . 1 . 1 47 47 GLY C C 13 172.256 0.000 . 1 . . . . . 47 GLY C . 52883 1
219 . 1 . 1 47 47 GLY CA C 13 42.148 0.000 . 1 . . . . . 47 GLY CA . 52883 1
220 . 1 . 1 47 47 GLY N N 15 119.219 0.030 . 1 . . . . . 47 GLY N . 52883 1
221 . 1 . 1 48 48 VAL H H 1 9.437 0.003 . 1 . . . . . 48 VAL H . 52883 1
222 . 1 . 1 48 48 VAL C C 13 171.135 0.000 . 1 . . . . . 48 VAL C . 52883 1
223 . 1 . 1 48 48 VAL CA C 13 56.064 0.000 . 1 . . . . . 48 VAL CA . 52883 1
224 . 1 . 1 48 48 VAL CB C 13 32.775 0.000 . 1 . . . . . 48 VAL CB . 52883 1
225 . 1 . 1 48 48 VAL N N 15 125.146 0.035 . 1 . . . . . 48 VAL N . 52883 1
226 . 1 . 1 49 49 ASN H H 1 8.535 0.011 . 1 . . . . . 49 ASN H . 52883 1
227 . 1 . 1 49 49 ASN C C 13 175.133 0.000 . 1 . . . . . 49 ASN C . 52883 1
228 . 1 . 1 49 49 ASN CA C 13 51.651 0.000 . 1 . . . . . 49 ASN CA . 52883 1
229 . 1 . 1 49 49 ASN CB C 13 36.053 0.000 . 1 . . . . . 49 ASN CB . 52883 1
230 . 1 . 1 49 49 ASN N N 15 123.339 0.082 . 1 . . . . . 49 ASN N . 52883 1
231 . 1 . 1 50 50 ASP H H 1 8.887 0.004 . 1 . . . . . 50 ASP H . 52883 1
232 . 1 . 1 50 50 ASP C C 13 174.977 0.000 . 1 . . . . . 50 ASP C . 52883 1
233 . 1 . 1 50 50 ASP CA C 13 54.254 0.000 . 1 . . . . . 50 ASP CA . 52883 1
234 . 1 . 1 50 50 ASP CB C 13 36.828 0.000 . 1 . . . . . 50 ASP CB . 52883 1
235 . 1 . 1 50 50 ASP N N 15 122.189 0.038 . 1 . . . . . 50 ASP N . 52883 1
236 . 1 . 1 51 51 ASP H H 1 8.520 0.004 . 1 . . . . . 51 ASP H . 52883 1
237 . 1 . 1 51 51 ASP C C 13 174.977 0.000 . 1 . . . . . 51 ASP C . 52883 1
238 . 1 . 1 51 51 ASP CA C 13 51.773 0.000 . 1 . . . . . 51 ASP CA . 52883 1
239 . 1 . 1 51 51 ASP CB C 13 36.556 0.000 . 1 . . . . . 51 ASP CB . 52883 1
240 . 1 . 1 51 51 ASP N N 15 116.710 0.120 . 1 . . . . . 51 ASP N . 52883 1
241 . 1 . 1 52 52 ARG H H 1 8.328 0.008 . 1 . . . . . 52 ARG H . 52883 1
242 . 1 . 1 52 52 ARG C C 13 173.955 0.000 . 1 . . . . . 52 ARG C . 52883 1
243 . 1 . 1 52 52 ARG CA C 13 53.132 0.034 . 1 . . . . . 52 ARG CA . 52883 1
244 . 1 . 1 52 52 ARG CB C 13 28.212 0.000 . 1 . . . . . 52 ARG CB . 52883 1
245 . 1 . 1 52 52 ARG N N 15 117.195 0.044 . 1 . . . . . 52 ARG N . 52883 1
246 . 1 . 1 53 53 VAL H H 1 7.366 0.002 . 1 . . . . . 53 VAL H . 52883 1
247 . 1 . 1 53 53 VAL C C 13 174.829 0.000 . 1 . . . . . 53 VAL C . 52883 1
248 . 1 . 1 53 53 VAL CA C 13 63.782 0.000 . 1 . . . . . 53 VAL CA . 52883 1
249 . 1 . 1 53 53 VAL CB C 13 28.120 0.000 . 1 . . . . . 53 VAL CB . 52883 1
250 . 1 . 1 53 53 VAL N N 15 122.055 0.018 . 1 . . . . . 53 VAL N . 52883 1
251 . 1 . 1 54 54 ASP H H 1 8.473 0.002 . 1 . . . . . 54 ASP H . 52883 1
252 . 1 . 1 54 54 ASP C C 13 177.057 0.000 . 1 . . . . . 54 ASP C . 52883 1
253 . 1 . 1 54 54 ASP CA C 13 54.854 0.000 . 1 . . . . . 54 ASP CA . 52883 1
254 . 1 . 1 54 54 ASP CB C 13 36.071 0.000 . 1 . . . . . 54 ASP CB . 52883 1
255 . 1 . 1 54 54 ASP N N 15 118.320 0.043 . 1 . . . . . 54 ASP N . 52883 1
256 . 1 . 1 55 55 GLU H H 1 7.717 0.005 . 1 . . . . . 55 GLU H . 52883 1
257 . 1 . 1 55 55 GLU C C 13 176.704 0.000 . 1 . . . . . 55 GLU C . 52883 1
258 . 1 . 1 55 55 GLU CA C 13 56.032 0.000 . 1 . . . . . 55 GLU CA . 52883 1
259 . 1 . 1 55 55 GLU CB C 13 26.303 0.000 . 1 . . . . . 55 GLU CB . 52883 1
260 . 1 . 1 55 55 GLU N N 15 120.614 0.078 . 1 . . . . . 55 GLU N . 52883 1
261 . 1 . 1 56 56 ILE H H 1 8.276 0.002 . 1 . . . . . 56 ILE H . 52883 1
262 . 1 . 1 56 56 ILE C C 13 174.834 0.000 . 1 . . . . . 56 ILE C . 52883 1
263 . 1 . 1 56 56 ILE CA C 13 62.292 0.000 . 1 . . . . . 56 ILE CA . 52883 1
264 . 1 . 1 56 56 ILE CB C 13 32.204 0.000 . 1 . . . . . 56 ILE CB . 52883 1
265 . 1 . 1 56 56 ILE N N 15 120.541 0.082 . 1 . . . . . 56 ILE N . 52883 1
266 . 1 . 1 57 57 LEU H H 1 8.034 0.001 . 1 . . . . . 57 LEU H . 52883 1
267 . 1 . 1 57 57 LEU C C 13 176.493 0.000 . 1 . . . . . 57 LEU C . 52883 1
268 . 1 . 1 57 57 LEU CA C 13 55.215 0.000 . 1 . . . . . 57 LEU CA . 52883 1
269 . 1 . 1 57 57 LEU CB C 13 36.559 0.000 . 1 . . . . . 57 LEU CB . 52883 1
270 . 1 . 1 57 57 LEU N N 15 122.426 0.008 . 1 . . . . . 57 LEU N . 52883 1
271 . 1 . 1 58 58 SER H H 1 7.662 0.006 . 1 . . . . . 58 SER H . 52883 1
272 . 1 . 1 58 58 SER C C 13 174.678 0.000 . 1 . . . . . 58 SER C . 52883 1
273 . 1 . 1 58 58 SER CA C 13 57.991 0.000 . 1 . . . . . 58 SER CA . 52883 1
274 . 1 . 1 58 58 SER CB C 13 59.349 0.000 . 1 . . . . . 58 SER CB . 52883 1
275 . 1 . 1 58 58 SER N N 15 113.483 0.031 . 1 . . . . . 58 SER N . 52883 1
276 . 1 . 1 59 59 VAL H H 1 7.689 0.004 . 1 . . . . . 59 VAL H . 52883 1
277 . 1 . 1 59 59 VAL C C 13 177.055 0.000 . 1 . . . . . 59 VAL C . 52883 1
278 . 1 . 1 59 59 VAL CA C 13 63.044 0.000 . 1 . . . . . 59 VAL CA . 52883 1
279 . 1 . 1 59 59 VAL CB C 13 28.034 0.000 . 1 . . . . . 59 VAL CB . 52883 1
280 . 1 . 1 59 59 VAL N N 15 122.224 0.019 . 1 . . . . . 59 VAL N . 52883 1
281 . 1 . 1 60 60 ILE H H 1 8.161 0.003 . 1 . . . . . 60 ILE H . 52883 1
282 . 1 . 1 60 60 ILE C C 13 175.115 0.000 . 1 . . . . . 60 ILE C . 52883 1
283 . 1 . 1 60 60 ILE CA C 13 62.870 0.000 . 1 . . . . . 60 ILE CA . 52883 1
284 . 1 . 1 60 60 ILE CB C 13 34.321 0.000 . 1 . . . . . 60 ILE CB . 52883 1
285 . 1 . 1 60 60 ILE N N 15 121.141 0.014 . 1 . . . . . 60 ILE N . 52883 1
286 . 1 . 1 61 61 ASN H H 1 8.167 0.003 . 1 . . . . . 61 ASN H . 52883 1
287 . 1 . 1 61 61 ASN C C 13 175.627 0.000 . 1 . . . . . 61 ASN C . 52883 1
288 . 1 . 1 61 61 ASN CA C 13 53.176 0.000 . 1 . . . . . 61 ASN CA . 52883 1
289 . 1 . 1 61 61 ASN CB C 13 34.906 0.000 . 1 . . . . . 61 ASN CB . 52883 1
290 . 1 . 1 61 61 ASN N N 15 118.055 0.063 . 1 . . . . . 61 ASN N . 52883 1
291 . 1 . 1 62 62 GLN H H 1 8.434 0.004 . 1 . . . . . 62 GLN H . 52883 1
292 . 1 . 1 62 62 GLN C C 13 175.554 0.000 . 1 . . . . . 62 GLN C . 52883 1
293 . 1 . 1 62 62 GLN CA C 13 55.678 0.000 . 1 . . . . . 62 GLN CA . 52883 1
294 . 1 . 1 62 62 GLN CB C 13 25.344 0.000 . 1 . . . . . 62 GLN CB . 52883 1
295 . 1 . 1 62 62 GLN N N 15 116.823 0.029 . 1 . . . . . 62 GLN N . 52883 1
296 . 1 . 1 63 63 THR H H 1 7.578 0.003 . 1 . . . . . 63 THR H . 52883 1
297 . 1 . 1 63 63 THR C C 13 173.303 0.000 . 1 . . . . . 63 THR C . 52883 1
298 . 1 . 1 63 63 THR CA C 13 62.834 0.000 . 1 . . . . . 63 THR CA . 52883 1
299 . 1 . 1 63 63 THR CB C 13 66.300 0.000 . 1 . . . . . 63 THR CB . 52883 1
300 . 1 . 1 63 63 THR N N 15 111.776 0.013 . 1 . . . . . 63 THR N . 52883 1
301 . 1 . 1 64 64 CYS H H 1 8.145 0.001 . 1 . . . . . 64 CYS H . 52883 1
302 . 1 . 1 64 64 CYS C C 13 172.741 0.000 . 1 . . . . . 64 CYS C . 52883 1
303 . 1 . 1 64 64 CYS CA C 13 56.570 0.000 . 1 . . . . . 64 CYS CA . 52883 1
304 . 1 . 1 64 64 CYS CB C 13 26.950 0.000 . 1 . . . . . 64 CYS CB . 52883 1
305 . 1 . 1 64 64 CYS N N 15 114.992 0.006 . 1 . . . . . 64 CYS N . 52883 1
306 . 1 . 1 65 65 GLY H H 1 8.072 0.001 . 1 . . . . . 65 GLY H . 52883 1
307 . 1 . 1 65 65 GLY C C 13 171.548 0.012 . 1 . . . . . 65 GLY C . 52883 1
308 . 1 . 1 65 65 GLY CA C 13 42.488 0.034 . 1 . . . . . 65 GLY CA . 52883 1
309 . 1 . 1 65 65 GLY N N 15 107.684 0.020 . 1 . . . . . 65 GLY N . 52883 1
310 . 1 . 1 66 66 ASN H H 1 8.747 0.002 . 1 . . . . . 66 ASN H . 52883 1
311 . 1 . 1 66 66 ASN HD21 H 1 6.888 0.000 . 1 . . . . . 66 ASN HD21 . 52883 1
312 . 1 . 1 66 66 ASN C C 13 173.643 0.001 . 1 . . . . . 66 ASN C . 52883 1
313 . 1 . 1 66 66 ASN CA C 13 50.401 0.032 . 1 . . . . . 66 ASN CA . 52883 1
314 . 1 . 1 66 66 ASN CB C 13 35.982 0.007 . 1 . . . . . 66 ASN CB . 52883 1
315 . 1 . 1 66 66 ASN N N 15 119.591 0.061 . 1 . . . . . 66 ASN N . 52883 1
316 . 1 . 1 66 66 ASN ND2 N 15 111.803 0.000 . 1 . . . . . 66 ASN ND2 . 52883 1
317 . 1 . 1 67 67 ARG H H 1 8.506 0.002 . 1 . . . . . 67 ARG H . 52883 1
318 . 1 . 1 67 67 ARG C C 13 174.470 0.000 . 1 . . . . . 67 ARG C . 52883 1
319 . 1 . 1 67 67 ARG CA C 13 53.392 0.000 . 1 . . . . . 67 ARG CA . 52883 1
320 . 1 . 1 67 67 ARG CB C 13 27.251 0.000 . 1 . . . . . 67 ARG CB . 52883 1
321 . 1 . 1 67 67 ARG N N 15 121.372 0.020 . 1 . . . . . 67 ARG N . 52883 1
322 . 1 . 1 73 73 PRO CB C 13 28.298 0.000 . 1 . . . . . 73 PRO CB . 52883 1
323 . 1 . 1 74 74 ILE H H 1 7.805 0.002 . 1 . . . . . 74 ILE H . 52883 1
324 . 1 . 1 74 74 ILE C C 13 173.441 0.000 . 1 . . . . . 74 ILE C . 52883 1
325 . 1 . 1 74 74 ILE CA C 13 59.909 0.000 . 1 . . . . . 74 ILE CA . 52883 1
326 . 1 . 1 74 74 ILE CB C 13 34.827 0.000 . 1 . . . . . 74 ILE CB . 52883 1
327 . 1 . 1 74 74 ILE N N 15 120.490 0.031 . 1 . . . . . 74 ILE N . 52883 1
328 . 1 . 1 75 75 THR H H 1 8.148 0.002 . 1 . . . . . 75 THR H . 52883 1
329 . 1 . 1 75 75 THR C C 13 173.799 0.000 . 1 . . . . . 75 THR C . 52883 1
330 . 1 . 1 75 75 THR N N 15 119.016 0.103 . 1 . . . . . 75 THR N . 52883 1
331 . 1 . 1 77 77 MET C C 13 174.159 0.000 . 1 . . . . . 77 MET C . 52883 1
332 . 1 . 1 77 77 MET CA C 13 51.839 0.000 . 1 . . . . . 77 MET CA . 52883 1
333 . 1 . 1 78 78 GLY H H 1 8.409 0.029 . 1 . . . . . 78 GLY H . 52883 1
334 . 1 . 1 78 78 GLY CA C 13 41.963 0.000 . 1 . . . . . 78 GLY CA . 52883 1
335 . 1 . 1 78 78 GLY N N 15 111.312 0.081 . 1 . . . . . 78 GLY N . 52883 1
336 . 1 . 1 79 79 GLY H H 1 8.500 0.008 . 1 . . . . . 79 GLY H . 52883 1
337 . 1 . 1 79 79 GLY CA C 13 42.337 0.038 . 1 . . . . . 79 GLY CA . 52883 1
338 . 1 . 1 79 79 GLY N N 15 109.727 0.012 . 1 . . . . . 79 GLY N . 52883 1
339 . 1 . 1 80 80 SER H H 1 8.240 0.010 . 1 . . . . . 80 SER H . 52883 1
340 . 1 . 1 80 80 SER CA C 13 55.475 0.000 . 1 . . . . . 80 SER CA . 52883 1
341 . 1 . 1 80 80 SER N N 15 115.070 0.154 . 1 . . . . . 80 SER N . 52883 1
342 . 1 . 1 81 81 ALA H H 1 8.564 0.000 . 1 . . . . . 81 ALA H . 52883 1
343 . 1 . 1 81 81 ALA N N 15 126.053 0.000 . 1 . . . . . 81 ALA N . 52883 1
344 . 1 . 1 88 88 PRO C C 13 174.434 0.008 . 1 . . . . . 88 PRO C . 52883 1
345 . 1 . 1 88 88 PRO CA C 13 60.257 0.000 . 1 . . . . . 88 PRO CA . 52883 1
346 . 1 . 1 89 89 VAL H H 1 7.963 0.004 . 1 . . . . . 89 VAL H . 52883 1
347 . 1 . 1 89 89 VAL C C 13 173.898 0.014 . 1 . . . . . 89 VAL C . 52883 1
348 . 1 . 1 89 89 VAL CA C 13 59.115 0.118 . 1 . . . . . 89 VAL CA . 52883 1
349 . 1 . 1 89 89 VAL CB C 13 29.380 0.002 . 1 . . . . . 89 VAL CB . 52883 1
350 . 1 . 1 89 89 VAL N N 15 118.816 0.050 . 1 . . . . . 89 VAL N . 52883 1
351 . 1 . 1 90 90 GLU H H 1 8.410 0.002 . 1 . . . . . 90 GLU H . 52883 1
352 . 1 . 1 90 90 GLU C C 13 173.888 0.013 . 1 . . . . . 90 GLU C . 52883 1
353 . 1 . 1 90 90 GLU CA C 13 53.290 0.042 . 1 . . . . . 90 GLU CA . 52883 1
354 . 1 . 1 90 90 GLU CB C 13 26.731 0.019 . 1 . . . . . 90 GLU CB . 52883 1
355 . 1 . 1 90 90 GLU N N 15 123.197 0.046 . 1 . . . . . 90 GLU N . 52883 1
356 . 1 . 1 91 91 VAL H H 1 8.046 0.002 . 1 . . . . . 91 VAL H . 52883 1
357 . 1 . 1 91 91 VAL C C 13 173.121 0.007 . 1 . . . . . 91 VAL C . 52883 1
358 . 1 . 1 91 91 VAL CA C 13 58.491 0.074 . 1 . . . . . 91 VAL CA . 52883 1
359 . 1 . 1 91 91 VAL CB C 13 30.105 0.050 . 1 . . . . . 91 VAL CB . 52883 1
360 . 1 . 1 91 91 VAL N N 15 120.224 0.042 . 1 . . . . . 91 VAL N . 52883 1
361 . 1 . 1 92 92 GLU H H 1 8.516 0.003 . 1 . . . . . 92 GLU H . 52883 1
362 . 1 . 1 92 92 GLU C C 13 173.547 0.006 . 1 . . . . . 92 GLU C . 52883 1
363 . 1 . 1 92 92 GLU CA C 13 52.689 0.023 . 1 . . . . . 92 GLU CA . 52883 1
364 . 1 . 1 92 92 GLU CB C 13 27.026 0.025 . 1 . . . . . 92 GLU CB . 52883 1
365 . 1 . 1 92 92 GLU N N 15 125.248 0.031 . 1 . . . . . 92 GLU N . 52883 1
366 . 1 . 1 93 93 VAL H H 1 8.347 0.004 . 1 . . . . . 93 VAL H . 52883 1
367 . 1 . 1 93 93 VAL C C 13 174.209 0.014 . 1 . . . . . 93 VAL C . 52883 1
368 . 1 . 1 93 93 VAL CA C 13 59.187 0.005 . 1 . . . . . 93 VAL CA . 52883 1
369 . 1 . 1 93 93 VAL CB C 13 29.619 0.006 . 1 . . . . . 93 VAL CB . 52883 1
370 . 1 . 1 93 93 VAL N N 15 123.658 0.046 . 1 . . . . . 93 VAL N . 52883 1
371 . 1 . 1 94 94 GLY H H 1 8.940 0.006 . 1 . . . . . 94 GLY H . 52883 1
372 . 1 . 1 94 94 GLY C C 13 171.657 0.007 . 1 . . . . . 94 GLY C . 52883 1
373 . 1 . 1 94 94 GLY CA C 13 41.733 0.011 . 1 . . . . . 94 GLY CA . 52883 1
374 . 1 . 1 94 94 GLY N N 15 114.580 0.087 . 1 . . . . . 94 GLY N . 52883 1
375 . 1 . 1 95 95 GLY H H 1 8.511 0.004 . 1 . . . . . 95 GLY H . 52883 1
376 . 1 . 1 95 95 GLY C C 13 172.767 0.005 . 1 . . . . . 95 GLY C . 52883 1
377 . 1 . 1 95 95 GLY CA C 13 43.463 0.024 . 1 . . . . . 95 GLY CA . 52883 1
378 . 1 . 1 95 95 GLY N N 15 109.538 0.064 . 1 . . . . . 95 GLY N . 52883 1
379 . 1 . 1 96 96 ALA H H 1 8.059 0.004 . 1 . . . . . 96 ALA H . 52883 1
380 . 1 . 1 96 96 ALA C C 13 173.476 0.001 . 1 . . . . . 96 ALA C . 52883 1
381 . 1 . 1 96 96 ALA CA C 13 48.890 0.008 . 1 . . . . . 96 ALA CA . 52883 1
382 . 1 . 1 96 96 ALA CB C 13 19.741 0.010 . 1 . . . . . 96 ALA CB . 52883 1
383 . 1 . 1 96 96 ALA N N 15 118.975 0.060 . 1 . . . . . 96 ALA N . 52883 1
384 . 1 . 1 97 97 THR H H 1 8.422 0.003 . 1 . . . . . 97 THR H . 52883 1
385 . 1 . 1 97 97 THR C C 13 170.736 0.000 . 1 . . . . . 97 THR C . 52883 1
386 . 1 . 1 97 97 THR CA C 13 60.821 0.041 . 1 . . . . . 97 THR CA . 52883 1
387 . 1 . 1 97 97 THR CB C 13 67.746 0.064 . 1 . . . . . 97 THR CB . 52883 1
388 . 1 . 1 97 97 THR N N 15 121.011 0.080 . 1 . . . . . 97 THR N . 52883 1
389 . 1 . 1 98 98 VAL H H 1 8.704 0.002 . 1 . . . . . 98 VAL H . 52883 1
390 . 1 . 1 98 98 VAL C C 13 170.979 0.000 . 1 . . . . . 98 VAL C . 52883 1
391 . 1 . 1 98 98 VAL CA C 13 57.355 0.062 . 1 . . . . . 98 VAL CA . 52883 1
392 . 1 . 1 98 98 VAL CB C 13 31.733 0.000 . 1 . . . . . 98 VAL CB . 52883 1
393 . 1 . 1 98 98 VAL N N 15 125.611 0.040 . 1 . . . . . 98 VAL N . 52883 1
394 . 1 . 1 99 99 PHE H H 1 9.398 0.010 . 1 . . . . . 99 PHE H . 52883 1
395 . 1 . 1 99 99 PHE C C 13 172.562 0.000 . 1 . . . . . 99 PHE C . 52883 1
396 . 1 . 1 99 99 PHE CA C 13 52.977 0.001 . 1 . . . . . 99 PHE CA . 52883 1
397 . 1 . 1 99 99 PHE CB C 13 38.359 0.104 . 1 . . . . . 99 PHE CB . 52883 1
398 . 1 . 1 99 99 PHE N N 15 122.757 0.124 . 1 . . . . . 99 PHE N . 52883 1
399 . 1 . 1 100 100 VAL H H 1 8.992 0.002 . 1 . . . . . 100 VAL H . 52883 1
400 . 1 . 1 100 100 VAL C C 13 173.736 0.000 . 1 . . . . . 100 VAL C . 52883 1
401 . 1 . 1 100 100 VAL CB C 13 28.964 0.000 . 1 . . . . . 100 VAL CB . 52883 1
402 . 1 . 1 100 100 VAL N N 15 121.689 0.068 . 1 . . . . . 100 VAL N . 52883 1
403 . 1 . 1 101 101 MET H H 1 9.966 0.003 . 1 . . . . . 101 MET H . 52883 1
404 . 1 . 1 101 101 MET CA C 13 50.267 0.000 . 1 . . . . . 101 MET CA . 52883 1
405 . 1 . 1 101 101 MET CB C 13 32.489 0.000 . 1 . . . . . 101 MET CB . 52883 1
406 . 1 . 1 101 101 MET N N 15 127.161 0.058 . 1 . . . . . 101 MET N . 52883 1
407 . 1 . 1 102 102 PRO C C 13 171.962 0.000 . 1 . . . . . 102 PRO C . 52883 1
408 . 1 . 1 102 102 PRO CA C 13 59.774 0.000 . 1 . . . . . 102 PRO CA . 52883 1
409 . 1 . 1 102 102 PRO CB C 13 29.030 0.000 . 1 . . . . . 102 PRO CB . 52883 1
410 . 1 . 1 103 103 VAL H H 1 7.593 0.001 . 1 . . . . . 103 VAL H . 52883 1
411 . 1 . 1 103 103 VAL C C 13 174.158 0.000 . 1 . . . . . 103 VAL C . 52883 1
412 . 1 . 1 103 103 VAL CA C 13 58.641 0.069 . 1 . . . . . 103 VAL CA . 52883 1
413 . 1 . 1 103 103 VAL CB C 13 31.985 0.081 . 1 . . . . . 103 VAL CB . 52883 1
414 . 1 . 1 103 103 VAL N N 15 115.583 0.049 . 1 . . . . . 103 VAL N . 52883 1
415 . 1 . 1 104 104 ASP H H 1 9.390 0.002 . 1 . . . . . 104 ASP H . 52883 1
416 . 1 . 1 104 104 ASP C C 13 174.430 0.000 . 1 . . . . . 104 ASP C . 52883 1
417 . 1 . 1 104 104 ASP CA C 13 54.116 0.000 . 1 . . . . . 104 ASP CA . 52883 1
418 . 1 . 1 104 104 ASP CB C 13 38.534 0.000 . 1 . . . . . 104 ASP CB . 52883 1
419 . 1 . 1 104 104 ASP N N 15 127.912 0.057 . 1 . . . . . 104 ASP N . 52883 1
420 . 1 . 1 105 105 ALA H H 1 7.956 0.002 . 1 . . . . . 105 ALA H . 52883 1
421 . 1 . 1 105 105 ALA C C 13 170.818 0.000 . 1 . . . . . 105 ALA C . 52883 1
422 . 1 . 1 105 105 ALA CA C 13 49.008 0.000 . 1 . . . . . 105 ALA CA . 52883 1
423 . 1 . 1 105 105 ALA CB C 13 19.221 0.000 . 1 . . . . . 105 ALA CB . 52883 1
424 . 1 . 1 105 105 ALA N N 15 118.538 0.016 . 1 . . . . . 105 ALA N . 52883 1
425 . 1 . 1 106 106 PHE H H 1 7.988 0.008 . 1 . . . . . 106 PHE H . 52883 1
426 . 1 . 1 106 106 PHE C C 13 170.775 0.000 . 1 . . . . . 106 PHE C . 52883 1
427 . 1 . 1 106 106 PHE CA C 13 52.368 0.000 . 1 . . . . . 106 PHE CA . 52883 1
428 . 1 . 1 106 106 PHE CB C 13 40.222 0.000 . 1 . . . . . 106 PHE CB . 52883 1
429 . 1 . 1 106 106 PHE N N 15 122.014 0.047 . 1 . . . . . 106 PHE N . 52883 1
430 . 1 . 1 107 107 HIS H H 1 8.508 0.004 . 1 . . . . . 107 HIS H . 52883 1
431 . 1 . 1 107 107 HIS C C 13 170.446 0.000 . 1 . . . . . 107 HIS C . 52883 1
432 . 1 . 1 107 107 HIS CA C 13 51.287 0.000 . 1 . . . . . 107 HIS CA . 52883 1
433 . 1 . 1 107 107 HIS CB C 13 32.235 0.000 . 1 . . . . . 107 HIS CB . 52883 1
434 . 1 . 1 107 107 HIS N N 15 124.964 0.071 . 1 . . . . . 107 HIS N . 52883 1
435 . 1 . 1 108 108 GLN H H 1 7.831 0.002 . 1 . . . . . 108 GLN H . 52883 1
436 . 1 . 1 108 108 GLN C C 13 172.024 0.000 . 1 . . . . . 108 GLN C . 52883 1
437 . 1 . 1 108 108 GLN CA C 13 51.890 0.139 . 1 . . . . . 108 GLN CA . 52883 1
438 . 1 . 1 108 108 GLN CB C 13 28.309 0.000 . 1 . . . . . 108 GLN CB . 52883 1
439 . 1 . 1 108 108 GLN N N 15 118.817 0.063 . 1 . . . . . 108 GLN N . 52883 1
440 . 1 . 1 109 109 PHE H H 1 8.778 0.004 . 1 . . . . . 109 PHE H . 52883 1
441 . 1 . 1 109 109 PHE CA C 13 54.320 0.057 . 1 . . . . . 109 PHE CA . 52883 1
442 . 1 . 1 109 109 PHE CB C 13 38.082 0.000 . 1 . . . . . 109 PHE CB . 52883 1
443 . 1 . 1 109 109 PHE N N 15 128.154 0.050 . 1 . . . . . 109 PHE N . 52883 1
stop_
save_