Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 54014
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Bri2 BRICHOS R221E monomer in SDS micelles'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_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
8 '2D 1H-15N HSQC' . . . 54014 2
9 '3D HNCA' . . . 54014 2
10 '3D HNCACB' . . . 54014 2
11 '3D HNCO' . . . 54014 2
12 '3D HNCACO' . . . 54014 2
13 '3D HNcoCA' . . . 54014 2
14 '3D HNcoCACB' . . . 54014 2
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 . . 54014 2
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 5 5 ILE H H 1 8.137 0.000 . . . . . . . 5 ILE H . 54014 2
2 . 1 . 1 5 5 ILE CA C 13 61.364 0.000 . . . . . . . 5 ILE CA . 54014 2
3 . 1 . 1 5 5 ILE CB C 13 38.809 0.000 . . . . . . . 5 ILE CB . 54014 2
4 . 1 . 1 5 5 ILE N N 15 123.261 0.000 . . . . . . . 5 ILE N . 54014 2
5 . 1 . 1 6 6 GLU H H 1 8.389 0.000 . . . . . . . 6 GLU H . 54014 2
6 . 1 . 1 6 6 GLU CA C 13 56.972 0.000 . . . . . . . 6 GLU CA . 54014 2
7 . 1 . 1 6 6 GLU CB C 13 30.268 0.000 . . . . . . . 6 GLU CB . 54014 2
8 . 1 . 1 6 6 GLU N N 15 124.570 0.000 . . . . . . . 6 GLU N . 54014 2
9 . 1 . 1 7 7 GLU H H 1 8.102 0.000 . . . . . . . 7 GLU H . 54014 2
10 . 1 . 1 7 7 GLU CB C 13 58.364 0.000 . . . . . . . 7 GLU CB . 54014 2
11 . 1 . 1 7 7 GLU N N 15 122.302 0.000 . . . . . . . 7 GLU N . 54014 2
12 . 1 . 1 8 8 ASN CA C 13 53.518 0.000 . . . . . . . 8 ASN CA . 54014 2
13 . 1 . 1 8 8 ASN CB C 13 38.997 0.000 . . . . . . . 8 ASN CB . 54014 2
14 . 1 . 1 9 9 ILE H H 1 7.942 0.000 . . . . . . . 9 ILE H . 54014 2
15 . 1 . 1 9 9 ILE CA C 13 61.361 0.000 . . . . . . . 9 ILE CA . 54014 2
16 . 1 . 1 9 9 ILE CB C 13 38.839 0.000 . . . . . . . 9 ILE CB . 54014 2
17 . 1 . 1 9 9 ILE N N 15 120.743 0.000 . . . . . . . 9 ILE N . 54014 2
18 . 1 . 1 10 10 LYS H H 1 8.183 0.000 . . . . . . . 10 LYS H . 54014 2
19 . 1 . 1 10 10 LYS CA C 13 56.124 0.000 . . . . . . . 10 LYS CA . 54014 2
20 . 1 . 1 10 10 LYS CB C 13 33.101 0.000 . . . . . . . 10 LYS CB . 54014 2
21 . 1 . 1 10 10 LYS N N 15 125.510 0.000 . . . . . . . 10 LYS N . 54014 2
22 . 1 . 1 11 11 ILE H H 1 7.980 0.000 . . . . . . . 11 ILE H . 54014 2
23 . 1 . 1 11 11 ILE CA C 13 61.129 0.000 . . . . . . . 11 ILE CA . 54014 2
24 . 1 . 1 11 11 ILE CB C 13 38.773 0.000 . . . . . . . 11 ILE CB . 54014 2
25 . 1 . 1 11 11 ILE N N 15 122.132 0.000 . . . . . . . 11 ILE N . 54014 2
26 . 1 . 1 12 12 PHE H H 1 8.187 0.000 . . . . . . . 12 PHE H . 54014 2
27 . 1 . 1 12 12 PHE CA C 13 57.675 0.000 . . . . . . . 12 PHE CA . 54014 2
28 . 1 . 1 12 12 PHE CB C 13 39.767 0.000 . . . . . . . 12 PHE CB . 54014 2
29 . 1 . 1 12 12 PHE N N 15 123.828 0.000 . . . . . . . 12 PHE N . 54014 2
30 . 1 . 1 13 13 GLU H H 1 8.286 0.000 . . . . . . . 13 GLU H . 54014 2
31 . 1 . 1 13 13 GLU CA C 13 56.659 0.000 . . . . . . . 13 GLU CA . 54014 2
32 . 1 . 1 13 13 GLU CB C 13 30.686 0.000 . . . . . . . 13 GLU CB . 54014 2
33 . 1 . 1 13 13 GLU N N 15 122.542 0.000 . . . . . . . 13 GLU N . 54014 2
34 . 1 . 1 14 14 GLU H H 1 8.263 0.000 . . . . . . . 14 GLU H . 54014 2
35 . 1 . 1 14 14 GLU CA C 13 56.702 0.000 . . . . . . . 14 GLU CA . 54014 2
36 . 1 . 1 14 14 GLU CB C 13 30.651 0.000 . . . . . . . 14 GLU CB . 54014 2
37 . 1 . 1 14 14 GLU N N 15 121.473 0.000 . . . . . . . 14 GLU N . 54014 2
38 . 1 . 1 15 15 GLU H H 1 8.325 0.000 . . . . . . . 15 GLU H . 54014 2
39 . 1 . 1 15 15 GLU CA C 13 56.634 0.000 . . . . . . . 15 GLU CA . 54014 2
40 . 1 . 1 15 15 GLU CB C 13 30.678 0.010 . . . . . . . 15 GLU CB . 54014 2
41 . 1 . 1 15 15 GLU N N 15 121.649 0.000 . . . . . . . 15 GLU N . 54014 2
42 . 1 . 1 16 16 GLU H H 1 8.358 0.000 . . . . . . . 16 GLU H . 54014 2
43 . 1 . 1 16 16 GLU C C 13 176.264 0.000 . . . . . . . 16 GLU C . 54014 2
44 . 1 . 1 16 16 GLU CA C 13 56.543 0.000 . . . . . . . 16 GLU CA . 54014 2
45 . 1 . 1 16 16 GLU CB C 13 30.458 0.000 . . . . . . . 16 GLU CB . 54014 2
46 . 1 . 1 16 16 GLU N N 15 122.402 0.000 . . . . . . . 16 GLU N . 54014 2
47 . 1 . 1 17 17 VAL H H 1 8.041 0.000 . . . . . . . 17 VAL H . 54014 2
48 . 1 . 1 17 17 VAL CA C 13 62.129 0.000 . . . . . . . 17 VAL CA . 54014 2
49 . 1 . 1 17 17 VAL CB C 13 33.117 0.000 . . . . . . . 17 VAL CB . 54014 2
50 . 1 . 1 17 17 VAL N N 15 121.329 0.000 . . . . . . . 17 VAL N . 54014 2
51 . 1 . 1 18 18 GLU H H 1 8.302 0.000 . . . . . . . 18 GLU H . 54014 2
52 . 1 . 1 18 18 GLU CA C 13 56.535 0.000 . . . . . . . 18 GLU CA . 54014 2
53 . 1 . 1 18 18 GLU CB C 13 30.760 0.000 . . . . . . . 18 GLU CB . 54014 2
54 . 1 . 1 18 18 GLU N N 15 124.542 0.000 . . . . . . . 18 GLU N . 54014 2
55 . 1 . 1 19 19 PHE H H 1 8.193 0.000 . . . . . . . 19 PHE H . 54014 2
56 . 1 . 1 19 19 PHE CA C 13 57.640 0.000 . . . . . . . 19 PHE CA . 54014 2
57 . 1 . 1 19 19 PHE CB C 13 39.829 0.000 . . . . . . . 19 PHE CB . 54014 2
58 . 1 . 1 19 19 PHE N N 15 122.084 0.000 . . . . . . . 19 PHE N . 54014 2
59 . 1 . 1 20 20 ILE H H 1 7.940 0.000 . . . . . . . 20 ILE H . 54014 2
60 . 1 . 1 20 20 ILE CA C 13 60.804 0.000 . . . . . . . 20 ILE CA . 54014 2
61 . 1 . 1 20 20 ILE CB C 13 60.685 0.000 . . . . . . . 20 ILE CB . 54014 2
62 . 1 . 1 20 20 ILE N N 15 123.755 0.000 . . . . . . . 20 ILE N . 54014 2
63 . 1 . 1 22 22 VAL H H 1 8.034 0.000 . . . . . . . 22 VAL H . 54014 2
64 . 1 . 1 22 22 VAL CB C 13 63.989 0.000 . . . . . . . 22 VAL CB . 54014 2
65 . 1 . 1 22 22 VAL N N 15 123.509 0.000 . . . . . . . 22 VAL N . 54014 2
66 . 1 . 1 24 24 VAL H H 1 8.107 0.000 . . . . . . . 24 VAL H . 54014 2
67 . 1 . 1 24 24 VAL C C 13 176.575 0.010 . . . . . . . 24 VAL C . 54014 2
68 . 1 . 1 24 24 VAL CA C 13 59.883 0.000 . . . . . . . 24 VAL CA . 54014 2
69 . 1 . 1 24 24 VAL CB C 13 63.094 0.010 . . . . . . . 24 VAL CB . 54014 2
70 . 1 . 1 24 24 VAL N N 15 121.752 0.000 . . . . . . . 24 VAL N . 54014 2
71 . 1 . 1 26 26 GLU H H 1 8.296 0.000 . . . . . . . 26 GLU H . 54014 2
72 . 1 . 1 26 26 GLU C C 13 176.402 0.000 . . . . . . . 26 GLU C . 54014 2
73 . 1 . 1 26 26 GLU CA C 13 56.595 0.000 . . . . . . . 26 GLU CA . 54014 2
74 . 1 . 1 26 26 GLU CB C 13 30.449 0.000 . . . . . . . 26 GLU CB . 54014 2
75 . 1 . 1 26 26 GLU N N 15 120.961 0.000 . . . . . . . 26 GLU N . 54014 2
76 . 1 . 1 27 27 PHE H H 1 8.068 0.000 . . . . . . . 27 PHE H . 54014 2
77 . 1 . 1 27 27 PHE CA C 13 57.458 0.000 . . . . . . . 27 PHE CA . 54014 2
78 . 1 . 1 27 27 PHE CB C 13 39.717 0.000 . . . . . . . 27 PHE CB . 54014 2
79 . 1 . 1 27 27 PHE N N 15 120.441 0.000 . . . . . . . 27 PHE N . 54014 2
80 . 1 . 1 28 28 ALA H H 1 8.153 0.000 . . . . . . . 28 ALA H . 54014 2
81 . 1 . 1 28 28 ALA C C 13 177.298 0.010 . . . . . . . 28 ALA C . 54014 2
82 . 1 . 1 28 28 ALA CA C 13 52.631 0.010 . . . . . . . 28 ALA CA . 54014 2
83 . 1 . 1 28 28 ALA CB C 13 19.481 0.000 . . . . . . . 28 ALA CB . 54014 2
84 . 1 . 1 28 28 ALA N N 15 125.273 0.000 . . . . . . . 28 ALA N . 54014 2
85 . 1 . 1 29 29 ASP H H 1 8.146 0.010 . . . . . . . 29 ASP H . 54014 2
86 . 1 . 1 29 29 ASP C C 13 179.552 0.010 . . . . . . . 29 ASP C . 54014 2
87 . 1 . 1 29 29 ASP CA C 13 58.404 0.010 . . . . . . . 29 ASP CA . 54014 2
88 . 1 . 1 29 29 ASP CB C 13 41.477 0.010 . . . . . . . 29 ASP CB . 54014 2
89 . 1 . 1 29 29 ASP N N 15 119.618 0.010 . . . . . . . 29 ASP N . 54014 2
90 . 1 . 1 30 30 SER H H 1 7.815 0.010 . . . . . . . 30 SER H . 54014 2
91 . 1 . 1 30 30 SER C C 13 175.663 0.010 . . . . . . . 30 SER C . 54014 2
92 . 1 . 1 30 30 SER CA C 13 59.531 0.010 . . . . . . . 30 SER CA . 54014 2
93 . 1 . 1 30 30 SER CB C 13 63.935 0.010 . . . . . . . 30 SER CB . 54014 2
94 . 1 . 1 30 30 SER N N 15 116.850 0.010 . . . . . . . 30 SER N . 54014 2
95 . 1 . 1 31 31 ASP H H 1 8.033 0.010 . . . . . . . 31 ASP H . 54014 2
96 . 1 . 1 31 31 ASP C C 13 175.809 0.010 . . . . . . . 31 ASP C . 54014 2
97 . 1 . 1 31 31 ASP CA C 13 57.770 0.010 . . . . . . . 31 ASP CA . 54014 2
98 . 1 . 1 31 31 ASP CB C 13 32.815 0.010 . . . . . . . 31 ASP CB . 54014 2
99 . 1 . 1 31 31 ASP N N 15 123.479 0.010 . . . . . . . 31 ASP N . 54014 2
100 . 1 . 1 32 32 PRO C C 13 178.380 0.000 . . . . . . . 32 PRO C . 54014 2
101 . 1 . 1 32 32 PRO CA C 13 63.964 0.000 . . . . . . . 32 PRO CA . 54014 2
102 . 1 . 1 32 32 PRO CB C 13 32.135 0.000 . . . . . . . 32 PRO CB . 54014 2
103 . 1 . 1 33 33 ALA H H 1 8.264 0.000 . . . . . . . 33 ALA H . 54014 2
104 . 1 . 1 33 33 ALA C C 13 179.485 0.000 . . . . . . . 33 ALA C . 54014 2
105 . 1 . 1 33 33 ALA CA C 13 53.270 0.000 . . . . . . . 33 ALA CA . 54014 2
106 . 1 . 1 33 33 ALA CB C 13 19.074 0.000 . . . . . . . 33 ALA CB . 54014 2
107 . 1 . 1 33 33 ALA N N 15 122.058 0.000 . . . . . . . 33 ALA N . 54014 2
108 . 1 . 1 40 40 ASN H H 1 8.459 0.010 . . . . . . . 40 ASN H . 54014 2
109 . 1 . 1 40 40 ASN C C 13 178.642 0.000 . . . . . . . 40 ASN C . 54014 2
110 . 1 . 1 40 40 ASN CA C 13 56.132 0.000 . . . . . . . 40 ASN CA . 54014 2
111 . 1 . 1 40 40 ASN CB C 13 38.739 0.000 . . . . . . . 40 ASN CB . 54014 2
112 . 1 . 1 40 40 ASN N N 15 118.254 0.010 . . . . . . . 40 ASN N . 54014 2
113 . 1 . 1 41 41 LYS H H 1 7.863 0.000 . . . . . . . 41 LYS H . 54014 2
114 . 1 . 1 41 41 LYS C C 13 179.866 0.000 . . . . . . . 41 LYS C . 54014 2
115 . 1 . 1 41 41 LYS CA C 13 58.481 0.000 . . . . . . . 41 LYS CA . 54014 2
116 . 1 . 1 41 41 LYS CB C 13 32.282 0.000 . . . . . . . 41 LYS CB . 54014 2
117 . 1 . 1 41 41 LYS N N 15 119.678 0.000 . . . . . . . 41 LYS N . 54014 2
118 . 1 . 1 42 42 LYS H H 1 7.804 0.000 . . . . . . . 42 LYS H . 54014 2
119 . 1 . 1 42 42 LYS C C 13 179.916 0.000 . . . . . . . 42 LYS C . 54014 2
120 . 1 . 1 42 42 LYS CA C 13 58.431 0.000 . . . . . . . 42 LYS CA . 54014 2
121 . 1 . 1 42 42 LYS CB C 13 32.647 0.000 . . . . . . . 42 LYS CB . 54014 2
122 . 1 . 1 42 42 LYS N N 15 119.801 0.000 . . . . . . . 42 LYS N . 54014 2
123 . 1 . 1 43 43 LEU H H 1 8.221 0.010 . . . . . . . 43 LEU H . 54014 2
124 . 1 . 1 43 43 LEU C C 13 180.087 0.000 . . . . . . . 43 LEU C . 54014 2
125 . 1 . 1 43 43 LEU CA C 13 58.128 0.000 . . . . . . . 43 LEU CA . 54014 2
126 . 1 . 1 43 43 LEU CB C 13 42.005 0.000 . . . . . . . 43 LEU CB . 54014 2
127 . 1 . 1 43 43 LEU N N 15 119.840 0.000 . . . . . . . 43 LEU N . 54014 2
128 . 1 . 1 44 44 THR H H 1 8.038 0.000 . . . . . . . 44 THR H . 54014 2
129 . 1 . 1 44 44 THR C C 13 177.816 0.000 . . . . . . . 44 THR C . 54014 2
130 . 1 . 1 44 44 THR CA C 13 65.534 0.000 . . . . . . . 44 THR CA . 54014 2
131 . 1 . 1 44 44 THR CB C 13 69.041 0.000 . . . . . . . 44 THR CB . 54014 2
132 . 1 . 1 44 44 THR N N 15 110.109 0.000 . . . . . . . 44 THR N . 54014 2
133 . 1 . 1 45 45 ALA H H 1 7.548 0.000 . . . . . . . 45 ALA H . 54014 2
134 . 1 . 1 45 45 ALA C C 13 172.795 0.000 . . . . . . . 45 ALA C . 54014 2
135 . 1 . 1 45 45 ALA CA C 13 54.454 0.000 . . . . . . . 45 ALA CA . 54014 2
136 . 1 . 1 45 45 ALA CB C 13 18.409 0.000 . . . . . . . 45 ALA CB . 54014 2
137 . 1 . 1 45 45 ALA N N 15 123.029 0.000 . . . . . . . 45 ALA N . 54014 2
138 . 1 . 1 46 46 TYR H H 1 7.829 0.000 . . . . . . . 46 TYR H . 54014 2
139 . 1 . 1 46 46 TYR C C 13 178.481 0.000 . . . . . . . 46 TYR C . 54014 2
140 . 1 . 1 46 46 TYR CA C 13 60.640 0.010 . . . . . . . 46 TYR CA . 54014 2
141 . 1 . 1 46 46 TYR CB C 13 39.359 0.000 . . . . . . . 46 TYR CB . 54014 2
142 . 1 . 1 46 46 TYR N N 15 117.587 0.000 . . . . . . . 46 TYR N . 54014 2
143 . 1 . 1 48 48 ASP H H 1 8.012 0.010 . . . . . . . 48 ASP H . 54014 2
144 . 1 . 1 48 48 ASP C C 13 177.886 0.000 . . . . . . . 48 ASP C . 54014 2
145 . 1 . 1 48 48 ASP CA C 13 54.950 0.000 . . . . . . . 48 ASP CA . 54014 2
146 . 1 . 1 48 48 ASP CB C 13 40.879 0.000 . . . . . . . 48 ASP CB . 54014 2
147 . 1 . 1 48 48 ASP N N 15 119.688 0.000 . . . . . . . 48 ASP N . 54014 2
148 . 1 . 1 49 49 LEU H H 1 7.671 0.000 . . . . . . . 49 LEU H . 54014 2
149 . 1 . 1 49 49 LEU C C 13 178.509 0.000 . . . . . . . 49 LEU C . 54014 2
150 . 1 . 1 49 49 LEU CA C 13 55.404 0.000 . . . . . . . 49 LEU CA . 54014 2
151 . 1 . 1 49 49 LEU CB C 13 43.228 0.000 . . . . . . . 49 LEU CB . 54014 2
152 . 1 . 1 49 49 LEU N N 15 119.354 0.000 . . . . . . . 49 LEU N . 54014 2
153 . 1 . 1 50 50 ASN H H 1 8.140 0.000 . . . . . . . 50 ASN H . 54014 2
154 . 1 . 1 50 50 ASN C C 13 176.465 0.000 . . . . . . . 50 ASN C . 54014 2
155 . 1 . 1 50 50 ASN CA C 13 53.407 0.000 . . . . . . . 50 ASN CA . 54014 2
156 . 1 . 1 50 50 ASN CB C 13 39.397 0.000 . . . . . . . 50 ASN CB . 54014 2
157 . 1 . 1 50 50 ASN N N 15 118.198 0.000 . . . . . . . 50 ASN N . 54014 2
158 . 1 . 1 51 51 LEU H H 1 8.117 0.000 . . . . . . . 51 LEU H . 54014 2
159 . 1 . 1 51 51 LEU C C 13 178.705 0.000 . . . . . . . 51 LEU C . 54014 2
160 . 1 . 1 51 51 LEU CA C 13 55.988 0.000 . . . . . . . 51 LEU CA . 54014 2
161 . 1 . 1 51 51 LEU CB C 13 42.187 0.000 . . . . . . . 51 LEU CB . 54014 2
162 . 1 . 1 51 51 LEU N N 15 121.782 0.000 . . . . . . . 51 LEU N . 54014 2
163 . 1 . 1 52 52 ASP H H 1 8.267 0.010 . . . . . . . 52 ASP H . 54014 2
164 . 1 . 1 52 52 ASP C C 13 178.108 0.000 . . . . . . . 52 ASP C . 54014 2
165 . 1 . 1 52 52 ASP CA C 13 55.013 0.000 . . . . . . . 52 ASP CA . 54014 2
166 . 1 . 1 52 52 ASP CB C 13 40.966 0.000 . . . . . . . 52 ASP CB . 54014 2
167 . 1 . 1 52 52 ASP N N 15 119.608 0.000 . . . . . . . 52 ASP N . 54014 2
168 . 1 . 1 53 53 LYS H H 1 7.816 0.000 . . . . . . . 53 LYS H . 54014 2
169 . 1 . 1 53 53 LYS C C 13 177.696 0.000 . . . . . . . 53 LYS C . 54014 2
170 . 1 . 1 53 53 LYS CA C 13 56.545 0.000 . . . . . . . 53 LYS CA . 54014 2
171 . 1 . 1 53 53 LYS CB C 13 32.944 0.000 . . . . . . . 53 LYS CB . 54014 2
172 . 1 . 1 53 53 LYS N N 15 119.005 0.000 . . . . . . . 53 LYS N . 54014 2
173 . 1 . 1 54 54 CYS H H 1 8.014 0.000 . . . . . . . 54 CYS H . 54014 2
174 . 1 . 1 54 54 CYS C C 13 175.864 0.000 . . . . . . . 54 CYS C . 54014 2
175 . 1 . 1 54 54 CYS CA C 13 59.249 0.000 . . . . . . . 54 CYS CA . 54014 2
176 . 1 . 1 54 54 CYS CB C 13 27.707 0.000 . . . . . . . 54 CYS CB . 54014 2
177 . 1 . 1 54 54 CYS N N 15 117.695 0.000 . . . . . . . 54 CYS N . 54014 2
178 . 1 . 1 55 55 TYR H H 1 7.753 0.000 . . . . . . . 55 TYR H . 54014 2
179 . 1 . 1 55 55 TYR C C 13 176.775 0.000 . . . . . . . 55 TYR C . 54014 2
180 . 1 . 1 55 55 TYR CA C 13 58.185 0.000 . . . . . . . 55 TYR CA . 54014 2
181 . 1 . 1 55 55 TYR CB C 13 39.140 0.000 . . . . . . . 55 TYR CB . 54014 2
182 . 1 . 1 55 55 TYR N N 15 120.723 0.000 . . . . . . . 55 TYR N . 54014 2
183 . 1 . 1 56 56 VAL H H 1 7.638 0.000 . . . . . . . 56 VAL H . 54014 2
184 . 1 . 1 56 56 VAL C C 13 176.863 0.000 . . . . . . . 56 VAL C . 54014 2
185 . 1 . 1 56 56 VAL CA C 13 62.149 0.000 . . . . . . . 56 VAL CA . 54014 2
186 . 1 . 1 56 56 VAL CB C 13 32.935 0.000 . . . . . . . 56 VAL CB . 54014 2
187 . 1 . 1 56 56 VAL N N 15 118.669 0.000 . . . . . . . 56 VAL N . 54014 2
188 . 1 . 1 57 57 ILE H H 1 7.776 0.000 . . . . . . . 57 ILE H . 54014 2
189 . 1 . 1 57 57 ILE C C 13 176.853 0.000 . . . . . . . 57 ILE C . 54014 2
190 . 1 . 1 57 57 ILE CA C 13 59.559 0.000 . . . . . . . 57 ILE CA . 54014 2
191 . 1 . 1 57 57 ILE CB C 13 38.519 0.000 . . . . . . . 57 ILE CB . 54014 2
192 . 1 . 1 57 57 ILE N N 15 123.127 0.000 . . . . . . . 57 ILE N . 54014 2
193 . 1 . 1 60 60 ASN H H 1 8.192 0.000 . . . . . . . 60 ASN H . 54014 2
194 . 1 . 1 60 60 ASN C C 13 176.741 0.000 . . . . . . . 60 ASN C . 54014 2
195 . 1 . 1 60 60 ASN CA C 13 53.386 0.000 . . . . . . . 60 ASN CA . 54014 2
196 . 1 . 1 60 60 ASN CB C 13 38.921 0.000 . . . . . . . 60 ASN CB . 54014 2
197 . 1 . 1 60 60 ASN N N 15 118.064 0.000 . . . . . . . 60 ASN N . 54014 2
198 . 1 . 1 61 61 THR H H 1 7.898 0.000 . . . . . . . 61 THR H . 54014 2
199 . 1 . 1 61 61 THR C C 13 176.004 0.000 . . . . . . . 61 THR C . 54014 2
200 . 1 . 1 61 61 THR CA C 13 62.575 0.000 . . . . . . . 61 THR CA . 54014 2
201 . 1 . 1 61 61 THR CB C 13 69.558 0.000 . . . . . . . 61 THR CB . 54014 2
202 . 1 . 1 61 61 THR N N 15 112.973 0.000 . . . . . . . 61 THR N . 54014 2
203 . 1 . 1 62 62 SER H H 1 8.172 0.000 . . . . . . . 62 SER H . 54014 2
204 . 1 . 1 62 62 SER C C 13 175.786 0.000 . . . . . . . 62 SER C . 54014 2
205 . 1 . 1 62 62 SER CA C 13 59.049 0.000 . . . . . . . 62 SER CA . 54014 2
206 . 1 . 1 62 62 SER CB C 13 63.833 0.000 . . . . . . . 62 SER CB . 54014 2
207 . 1 . 1 62 62 SER N N 15 117.211 0.000 . . . . . . . 62 SER N . 54014 2
208 . 1 . 1 63 63 ILE H H 1 7.739 0.000 . . . . . . . 63 ILE H . 54014 2
209 . 1 . 1 63 63 ILE C C 13 176.763 0.000 . . . . . . . 63 ILE C . 54014 2
210 . 1 . 1 63 63 ILE CA C 13 61.445 0.000 . . . . . . . 63 ILE CA . 54014 2
211 . 1 . 1 63 63 ILE CB C 13 38.881 0.000 . . . . . . . 63 ILE CB . 54014 2
212 . 1 . 1 63 63 ILE N N 15 120.502 0.000 . . . . . . . 63 ILE N . 54014 2
213 . 1 . 1 64 64 VAL H H 1 7.617 0.000 . . . . . . . 64 VAL H . 54014 2
214 . 1 . 1 64 64 VAL C C 13 176.509 0.000 . . . . . . . 64 VAL C . 54014 2
215 . 1 . 1 64 64 VAL CA C 13 62.236 0.000 . . . . . . . 64 VAL CA . 54014 2
216 . 1 . 1 64 64 VAL CB C 13 32.913 0.000 . . . . . . . 64 VAL CB . 54014 2
217 . 1 . 1 64 64 VAL N N 15 120.829 0.000 . . . . . . . 64 VAL N . 54014 2
218 . 1 . 1 65 65 MET H H 1 7.733 0.000 . . . . . . . 65 MET H . 54014 2
219 . 1 . 1 65 65 MET C C 13 174.327 0.000 . . . . . . . 65 MET C . 54014 2
220 . 1 . 1 65 65 MET CA C 13 53.152 0.000 . . . . . . . 65 MET CA . 54014 2
221 . 1 . 1 65 65 MET CB C 13 33.168 0.000 . . . . . . . 65 MET CB . 54014 2
222 . 1 . 1 65 65 MET N N 15 122.821 0.000 . . . . . . . 65 MET N . 54014 2
223 . 1 . 1 69 69 ASN H H 1 8.364 0.010 . . . . . . . 69 ASN H . 54014 2
224 . 1 . 1 69 69 ASN C C 13 178.729 0.000 . . . . . . . 69 ASN C . 54014 2
225 . 1 . 1 69 69 ASN CA C 13 55.403 0.000 . . . . . . . 69 ASN CA . 54014 2
226 . 1 . 1 69 69 ASN CB C 13 37.781 0.000 . . . . . . . 69 ASN CB . 54014 2
227 . 1 . 1 69 69 ASN N N 15 117.590 0.000 . . . . . . . 69 ASN N . 54014 2
228 . 1 . 1 70 70 LEU H H 1 7.739 0.000 . . . . . . . 70 LEU H . 54014 2
229 . 1 . 1 70 70 LEU C C 13 179.529 0.000 . . . . . . . 70 LEU C . 54014 2
230 . 1 . 1 70 70 LEU CA C 13 57.790 0.000 . . . . . . . 70 LEU CA . 54014 2
231 . 1 . 1 70 70 LEU CB C 13 41.964 0.000 . . . . . . . 70 LEU CB . 54014 2
232 . 1 . 1 70 70 LEU N N 15 121.131 0.000 . . . . . . . 70 LEU N . 54014 2
233 . 1 . 1 71 71 LEU H H 1 7.872 0.000 . . . . . . . 71 LEU H . 54014 2
234 . 1 . 1 71 71 LEU C C 13 179.607 0.000 . . . . . . . 71 LEU C . 54014 2
235 . 1 . 1 71 71 LEU CA C 13 58.379 0.000 . . . . . . . 71 LEU CA . 54014 2
236 . 1 . 1 71 71 LEU CB C 13 41.327 0.000 . . . . . . . 71 LEU CB . 54014 2
237 . 1 . 1 71 71 LEU N N 15 118.354 0.000 . . . . . . . 71 LEU N . 54014 2
238 . 1 . 1 72 72 GLU H H 1 7.725 0.000 . . . . . . . 72 GLU H . 54014 2
239 . 1 . 1 72 72 GLU C C 13 180.172 0.010 . . . . . . . 72 GLU C . 54014 2
240 . 1 . 1 72 72 GLU CA C 13 59.559 0.000 . . . . . . . 72 GLU CA . 54014 2
241 . 1 . 1 72 72 GLU CB C 13 29.618 0.000 . . . . . . . 72 GLU CB . 54014 2
242 . 1 . 1 72 72 GLU N N 15 116.761 0.000 . . . . . . . 72 GLU N . 54014 2
243 . 1 . 1 73 73 LEU H H 1 7.538 0.000 . . . . . . . 73 LEU H . 54014 2
244 . 1 . 1 73 73 LEU C C 13 172.262 0.010 . . . . . . . 73 LEU C . 54014 2
245 . 1 . 1 73 73 LEU CA C 13 58.278 0.000 . . . . . . . 73 LEU CA . 54014 2
246 . 1 . 1 73 73 LEU CB C 13 41.901 0.000 . . . . . . . 73 LEU CB . 54014 2
247 . 1 . 1 73 73 LEU N N 15 119.480 0.000 . . . . . . . 73 LEU N . 54014 2
248 . 1 . 1 74 74 LEU H H 1 7.959 0.010 . . . . . . . 74 LEU H . 54014 2
249 . 1 . 1 74 74 LEU C C 13 180.010 0.010 . . . . . . . 74 LEU C . 54014 2
250 . 1 . 1 74 74 LEU CA C 13 55.222 0.010 . . . . . . . 74 LEU CA . 54014 2
251 . 1 . 1 74 74 LEU CB C 13 41.686 0.010 . . . . . . . 74 LEU CB . 54014 2
252 . 1 . 1 74 74 LEU N N 15 118.150 0.000 . . . . . . . 74 LEU N . 54014 2
253 . 1 . 1 75 75 ILE H H 1 8.191 0.000 . . . . . . . 75 ILE H . 54014 2
254 . 1 . 1 75 75 ILE C C 13 179.935 0.000 . . . . . . . 75 ILE C . 54014 2
255 . 1 . 1 75 75 ILE CA C 13 64.965 0.010 . . . . . . . 75 ILE CA . 54014 2
256 . 1 . 1 75 75 ILE CB C 13 38.027 0.000 . . . . . . . 75 ILE CB . 54014 2
257 . 1 . 1 75 75 ILE N N 15 118.017 0.000 . . . . . . . 75 ILE N . 54014 2
258 . 1 . 1 76 76 ASN H H 1 7.935 0.000 . . . . . . . 76 ASN H . 54014 2
259 . 1 . 1 76 76 ASN C C 13 179.273 0.000 . . . . . . . 76 ASN C . 54014 2
260 . 1 . 1 76 76 ASN CA C 13 55.729 0.000 . . . . . . . 76 ASN CA . 54014 2
261 . 1 . 1 76 76 ASN CB C 13 38.843 0.000 . . . . . . . 76 ASN CB . 54014 2
262 . 1 . 1 76 76 ASN N N 15 118.735 0.000 . . . . . . . 76 ASN N . 54014 2
263 . 1 . 1 77 77 ILE H H 1 8.221 0.000 . . . . . . . 77 ILE H . 54014 2
264 . 1 . 1 77 77 ILE C C 13 179.310 0.000 . . . . . . . 77 ILE C . 54014 2
265 . 1 . 1 77 77 ILE CA C 13 64.078 0.000 . . . . . . . 77 ILE CA . 54014 2
266 . 1 . 1 77 77 ILE CB C 13 38.271 0.000 . . . . . . . 77 ILE CB . 54014 2
267 . 1 . 1 77 77 ILE N N 15 120.361 0.000 . . . . . . . 77 ILE N . 54014 2
268 . 1 . 1 78 78 LYS H H 1 8.152 0.000 . . . . . . . 78 LYS H . 54014 2
269 . 1 . 1 78 78 LYS C C 13 178.691 0.010 . . . . . . . 78 LYS C . 54014 2
270 . 1 . 1 78 78 LYS CA C 13 57.912 0.010 . . . . . . . 78 LYS CA . 54014 2
271 . 1 . 1 78 78 LYS CB C 13 31.880 0.010 . . . . . . . 78 LYS CB . 54014 2
272 . 1 . 1 78 78 LYS N N 15 120.833 0.010 . . . . . . . 78 LYS N . 54014 2
273 . 1 . 1 79 79 ALA H H 1 8.291 0.010 . . . . . . . 79 ALA H . 54014 2
274 . 1 . 1 79 79 ALA C C 13 180.032 0.000 . . . . . . . 79 ALA C . 54014 2
275 . 1 . 1 79 79 ALA CA C 13 53.584 0.000 . . . . . . . 79 ALA CA . 54014 2
276 . 1 . 1 79 79 ALA CB C 13 19.247 0.000 . . . . . . . 79 ALA CB . 54014 2
277 . 1 . 1 79 79 ALA N N 15 117.916 0.010 . . . . . . . 79 ALA N . 54014 2
278 . 1 . 1 80 80 GLY H H 1 8.028 0.000 . . . . . . . 80 GLY H . 54014 2
279 . 1 . 1 80 80 GLY C C 13 176.288 0.000 . . . . . . . 80 GLY C . 54014 2
280 . 1 . 1 80 80 GLY CA C 13 45.875 0.000 . . . . . . . 80 GLY CA . 54014 2
281 . 1 . 1 80 80 GLY N N 15 105.682 0.000 . . . . . . . 80 GLY N . 54014 2
282 . 1 . 1 81 81 THR H H 1 7.844 0.000 . . . . . . . 81 THR H . 54014 2
283 . 1 . 1 81 81 THR C C 13 175.882 0.000 . . . . . . . 81 THR C . 54014 2
284 . 1 . 1 81 81 THR CA C 13 61.309 0.010 . . . . . . . 81 THR CA . 54014 2
285 . 1 . 1 81 81 THR CB C 13 69.646 0.000 . . . . . . . 81 THR CB . 54014 2
286 . 1 . 1 81 81 THR N N 15 113.117 0.000 . . . . . . . 81 THR N . 54014 2
287 . 1 . 1 84 84 PRO C C 13 178.529 0.000 . . . . . . . 84 PRO C . 54014 2
288 . 1 . 1 84 84 PRO CA C 13 63.836 0.000 . . . . . . . 84 PRO CA . 54014 2
289 . 1 . 1 84 84 PRO CB C 13 31.880 0.000 . . . . . . . 84 PRO CB . 54014 2
290 . 1 . 1 85 85 GLN H H 1 8.242 0.000 . . . . . . . 85 GLN H . 54014 2
291 . 1 . 1 85 85 GLN C C 13 177.972 0.000 . . . . . . . 85 GLN C . 54014 2
292 . 1 . 1 85 85 GLN CA C 13 56.939 0.000 . . . . . . . 85 GLN CA . 54014 2
293 . 1 . 1 85 85 GLN CB C 13 28.995 0.000 . . . . . . . 85 GLN CB . 54014 2
294 . 1 . 1 85 85 GLN N N 15 117.702 0.000 . . . . . . . 85 GLN N . 54014 2
295 . 1 . 1 86 86 SER H H 1 8.007 0.000 . . . . . . . 86 SER H . 54014 2
296 . 1 . 1 86 86 SER C C 13 176.410 0.000 . . . . . . . 86 SER C . 54014 2
297 . 1 . 1 86 86 SER CA C 13 59.597 0.000 . . . . . . . 86 SER CA . 54014 2
298 . 1 . 1 86 86 SER CB C 13 63.536 0.000 . . . . . . . 86 SER CB . 54014 2
299 . 1 . 1 86 86 SER N N 15 114.140 0.000 . . . . . . . 86 SER N . 54014 2
300 . 1 . 1 87 87 TYR H H 1 7.852 0.000 . . . . . . . 87 TYR H . 54014 2
301 . 1 . 1 87 87 TYR C C 13 177.511 0.000 . . . . . . . 87 TYR C . 54014 2
302 . 1 . 1 87 87 TYR CA C 13 59.284 0.000 . . . . . . . 87 TYR CA . 54014 2
303 . 1 . 1 87 87 TYR CB C 13 38.683 0.000 . . . . . . . 87 TYR CB . 54014 2
304 . 1 . 1 87 87 TYR N N 15 120.941 0.000 . . . . . . . 87 TYR N . 54014 2
305 . 1 . 1 88 88 LEU H H 1 7.719 0.000 . . . . . . . 88 LEU H . 54014 2
306 . 1 . 1 88 88 LEU C C 13 179.251 0.000 . . . . . . . 88 LEU C . 54014 2
307 . 1 . 1 88 88 LEU CA C 13 56.112 0.000 . . . . . . . 88 LEU CA . 54014 2
308 . 1 . 1 88 88 LEU CB C 13 42.222 0.000 . . . . . . . 88 LEU CB . 54014 2
309 . 1 . 1 88 88 LEU N N 15 120.368 0.000 . . . . . . . 88 LEU N . 54014 2
310 . 1 . 1 89 89 ILE H H 1 7.670 0.000 . . . . . . . 89 ILE H . 54014 2
311 . 1 . 1 89 89 ILE C C 13 178.043 0.000 . . . . . . . 89 ILE C . 54014 2
312 . 1 . 1 89 89 ILE CA C 13 62.722 0.000 . . . . . . . 89 ILE CA . 54014 2
313 . 1 . 1 89 89 ILE CB C 13 38.213 0.000 . . . . . . . 89 ILE CB . 54014 2
314 . 1 . 1 89 89 ILE N N 15 117.795 0.000 . . . . . . . 89 ILE N . 54014 2
315 . 1 . 1 90 90 HIS H H 1 7.880 0.000 . . . . . . . 90 HIS H . 54014 2
316 . 1 . 1 90 90 HIS C C 13 177.173 0.000 . . . . . . . 90 HIS C . 54014 2
317 . 1 . 1 90 90 HIS CA C 13 57.192 0.000 . . . . . . . 90 HIS CA . 54014 2
318 . 1 . 1 90 90 HIS CB C 13 30.171 0.000 . . . . . . . 90 HIS CB . 54014 2
319 . 1 . 1 90 90 HIS N N 15 118.856 0.000 . . . . . . . 90 HIS N . 54014 2
320 . 1 . 1 91 91 GLU H H 1 8.040 0.000 . . . . . . . 91 GLU H . 54014 2
321 . 1 . 1 91 91 GLU C C 13 177.957 0.000 . . . . . . . 91 GLU C . 54014 2
322 . 1 . 1 91 91 GLU CA C 13 57.296 0.000 . . . . . . . 91 GLU CA . 54014 2
323 . 1 . 1 91 91 GLU CB C 13 30.033 0.000 . . . . . . . 91 GLU CB . 54014 2
324 . 1 . 1 91 91 GLU N N 15 118.697 0.000 . . . . . . . 91 GLU N . 54014 2
325 . 1 . 1 92 92 HIS H H 1 8.010 0.000 . . . . . . . 92 HIS H . 54014 2
326 . 1 . 1 92 92 HIS C C 13 176.699 0.010 . . . . . . . 92 HIS C . 54014 2
327 . 1 . 1 92 92 HIS CA C 13 56.363 0.000 . . . . . . . 92 HIS CA . 54014 2
328 . 1 . 1 92 92 HIS CB C 13 26.809 0.010 . . . . . . . 92 HIS CB . 54014 2
329 . 1 . 1 92 92 HIS N N 15 117.222 0.000 . . . . . . . 92 HIS N . 54014 2
330 . 1 . 1 95 95 ILE H H 1 8.028 0.000 . . . . . . . 95 ILE H . 54014 2
331 . 1 . 1 95 95 ILE C C 13 178.546 0.000 . . . . . . . 95 ILE C . 54014 2
332 . 1 . 1 95 95 ILE CA C 13 63.179 0.000 . . . . . . . 95 ILE CA . 54014 2
333 . 1 . 1 95 95 ILE CB C 13 38.244 0.000 . . . . . . . 95 ILE CB . 54014 2
334 . 1 . 1 95 95 ILE N N 15 121.454 0.000 . . . . . . . 95 ILE N . 54014 2
335 . 1 . 1 96 96 THR H H 1 7.799 0.000 . . . . . . . 96 THR H . 54014 2
336 . 1 . 1 96 96 THR C C 13 177.303 0.000 . . . . . . . 96 THR C . 54014 2
337 . 1 . 1 96 96 THR CA C 13 64.369 0.000 . . . . . . . 96 THR CA . 54014 2
338 . 1 . 1 96 96 THR CB C 13 68.717 0.000 . . . . . . . 96 THR CB . 54014 2
339 . 1 . 1 96 96 THR N N 15 112.418 0.000 . . . . . . . 96 THR N . 54014 2
340 . 1 . 1 97 97 ASP H H 1 7.953 0.000 . . . . . . . 97 ASP H . 54014 2
341 . 1 . 1 97 97 ASP C C 13 178.932 0.000 . . . . . . . 97 ASP C . 54014 2
342 . 1 . 1 97 97 ASP CA C 13 56.142 0.000 . . . . . . . 97 ASP CA . 54014 2
343 . 1 . 1 97 97 ASP CB C 13 40.801 0.000 . . . . . . . 97 ASP CB . 54014 2
344 . 1 . 1 97 97 ASP N N 15 120.692 0.000 . . . . . . . 97 ASP N . 54014 2
345 . 1 . 1 98 98 ARG H H 1 7.768 0.000 . . . . . . . 98 ARG H . 54014 2
346 . 1 . 1 98 98 ARG C C 13 178.622 0.000 . . . . . . . 98 ARG C . 54014 2
347 . 1 . 1 98 98 ARG CA C 13 57.121 0.000 . . . . . . . 98 ARG CA . 54014 2
348 . 1 . 1 98 98 ARG CB C 13 30.925 0.000 . . . . . . . 98 ARG CB . 54014 2
349 . 1 . 1 98 98 ARG N N 15 117.516 0.000 . . . . . . . 98 ARG N . 54014 2
350 . 1 . 1 99 99 ILE H H 1 7.601 0.000 . . . . . . . 99 ILE H . 54014 2
351 . 1 . 1 99 99 ILE C C 13 177.855 0.000 . . . . . . . 99 ILE C . 54014 2
352 . 1 . 1 99 99 ILE CA C 13 61.978 0.000 . . . . . . . 99 ILE CA . 54014 2
353 . 1 . 1 99 99 ILE CB C 13 38.281 0.000 . . . . . . . 99 ILE CB . 54014 2
354 . 1 . 1 99 99 ILE N N 15 117.196 0.000 . . . . . . . 99 ILE N . 54014 2
355 . 1 . 1 100 100 GLU H H 1 8.048 0.000 . . . . . . . 100 GLU H . 54014 2
356 . 1 . 1 100 100 GLU C C 13 178.478 0.000 . . . . . . . 100 GLU C . 54014 2
357 . 1 . 1 100 100 GLU CA C 13 58.323 0.000 . . . . . . . 100 GLU CA . 54014 2
358 . 1 . 1 100 100 GLU CB C 13 30.229 0.000 . . . . . . . 100 GLU CB . 54014 2
359 . 1 . 1 100 100 GLU N N 15 122.151 0.000 . . . . . . . 100 GLU N . 54014 2
360 . 1 . 1 101 101 ASN H H 1 7.933 0.000 . . . . . . . 101 ASN H . 54014 2
361 . 1 . 1 101 101 ASN C C 13 176.985 0.000 . . . . . . . 101 ASN C . 54014 2
362 . 1 . 1 101 101 ASN CA C 13 53.494 0.000 . . . . . . . 101 ASN CA . 54014 2
363 . 1 . 1 101 101 ASN CB C 13 39.182 0.000 . . . . . . . 101 ASN CB . 54014 2
364 . 1 . 1 101 101 ASN N N 15 115.172 0.000 . . . . . . . 101 ASN N . 54014 2
365 . 1 . 1 102 102 ILE H H 1 7.747 0.000 . . . . . . . 102 ILE H . 54014 2
366 . 1 . 1 102 102 ILE C C 13 177.270 0.000 . . . . . . . 102 ILE C . 54014 2
367 . 1 . 1 102 102 ILE CA C 13 62.423 0.000 . . . . . . . 102 ILE CA . 54014 2
368 . 1 . 1 102 102 ILE CB C 13 38.477 0.000 . . . . . . . 102 ILE CB . 54014 2
369 . 1 . 1 102 102 ILE N N 15 119.882 0.000 . . . . . . . 102 ILE N . 54014 2
370 . 1 . 1 105 105 LEU H H 1 8.023 0.010 . . . . . . . 105 LEU H . 54014 2
371 . 1 . 1 105 105 LEU C C 13 179.588 0.000 . . . . . . . 105 LEU C . 54014 2
372 . 1 . 1 105 105 LEU CA C 13 57.751 0.000 . . . . . . . 105 LEU CA . 54014 2
373 . 1 . 1 105 105 LEU CB C 13 42.174 0.000 . . . . . . . 105 LEU CB . 54014 2
374 . 1 . 1 105 105 LEU N N 15 121.576 0.000 . . . . . . . 105 LEU N . 54014 2
375 . 1 . 1 106 106 GLY H H 1 8.393 0.000 . . . . . . . 106 GLY H . 54014 2
376 . 1 . 1 106 106 GLY C C 13 176.521 0.000 . . . . . . . 106 GLY C . 54014 2
377 . 1 . 1 106 106 GLY CA C 13 47.441 0.000 . . . . . . . 106 GLY CA . 54014 2
378 . 1 . 1 106 106 GLY N N 15 106.036 0.000 . . . . . . . 106 GLY N . 54014 2
379 . 1 . 1 107 107 PHE H H 1 7.950 0.000 . . . . . . . 107 PHE H . 54014 2
380 . 1 . 1 107 107 PHE C C 13 178.618 0.000 . . . . . . . 107 PHE C . 54014 2
381 . 1 . 1 107 107 PHE CA C 13 60.792 0.000 . . . . . . . 107 PHE CA . 54014 2
382 . 1 . 1 107 107 PHE CB C 13 38.897 0.000 . . . . . . . 107 PHE CB . 54014 2
383 . 1 . 1 107 107 PHE N N 15 120.673 0.000 . . . . . . . 107 PHE N . 54014 2
384 . 1 . 1 108 108 PHE H H 1 8.013 0.000 . . . . . . . 108 PHE H . 54014 2
385 . 1 . 1 108 108 PHE C C 13 178.908 0.000 . . . . . . . 108 PHE C . 54014 2
386 . 1 . 1 108 108 PHE CA C 13 60.936 0.000 . . . . . . . 108 PHE CA . 54014 2
387 . 1 . 1 108 108 PHE CB C 13 39.408 0.000 . . . . . . . 108 PHE CB . 54014 2
388 . 1 . 1 108 108 PHE N N 15 119.496 0.000 . . . . . . . 108 PHE N . 54014 2
389 . 1 . 1 109 109 ILE H H 1 8.023 0.000 . . . . . . . 109 ILE H . 54014 2
390 . 1 . 1 109 109 ILE C C 13 178.879 0.000 . . . . . . . 109 ILE C . 54014 2
391 . 1 . 1 109 109 ILE CA C 13 64.243 0.000 . . . . . . . 109 ILE CA . 54014 2
392 . 1 . 1 109 109 ILE CB C 13 37.632 0.000 . . . . . . . 109 ILE CB . 54014 2
393 . 1 . 1 109 109 ILE N N 15 118.217 0.000 . . . . . . . 109 ILE N . 54014 2
394 . 1 . 1 110 110 TYR H H 1 8.181 0.000 . . . . . . . 110 TYR H . 54014 2
395 . 1 . 1 110 110 TYR C C 13 179.594 0.000 . . . . . . . 110 TYR C . 54014 2
396 . 1 . 1 110 110 TYR CA C 13 61.847 0.000 . . . . . . . 110 TYR CA . 54014 2
397 . 1 . 1 110 110 TYR CB C 13 38.322 0.000 . . . . . . . 110 TYR CB . 54014 2
398 . 1 . 1 110 110 TYR N N 15 120.338 0.000 . . . . . . . 110 TYR N . 54014 2
399 . 1 . 1 111 111 GLU H H 1 8.181 0.000 . . . . . . . 111 GLU H . 54014 2
400 . 1 . 1 111 111 GLU C C 13 172.204 0.000 . . . . . . . 111 GLU C . 54014 2
401 . 1 . 1 111 111 GLU CA C 13 59.124 0.000 . . . . . . . 111 GLU CA . 54014 2
402 . 1 . 1 111 111 GLU CB C 13 29.521 0.000 . . . . . . . 111 GLU CB . 54014 2
403 . 1 . 1 111 111 GLU N N 15 118.920 0.000 . . . . . . . 111 GLU N . 54014 2
404 . 1 . 1 112 112 LEU H H 1 7.761 0.000 . . . . . . . 112 LEU H . 54014 2
405 . 1 . 1 112 112 LEU C C 13 180.106 0.000 . . . . . . . 112 LEU C . 54014 2
406 . 1 . 1 112 112 LEU CA C 13 57.423 0.000 . . . . . . . 112 LEU CA . 54014 2
407 . 1 . 1 112 112 LEU CB C 13 42.695 0.000 . . . . . . . 112 LEU CB . 54014 2
408 . 1 . 1 112 112 LEU N N 15 119.648 0.000 . . . . . . . 112 LEU N . 54014 2
409 . 1 . 1 113 113 CYS H H 1 7.773 0.000 . . . . . . . 113 CYS H . 54014 2
410 . 1 . 1 113 113 CYS C C 13 177.020 0.000 . . . . . . . 113 CYS C . 54014 2
411 . 1 . 1 113 113 CYS CA C 13 61.047 0.000 . . . . . . . 113 CYS CA . 54014 2
412 . 1 . 1 113 113 CYS CB C 13 28.135 0.000 . . . . . . . 113 CYS CB . 54014 2
413 . 1 . 1 113 113 CYS N N 15 113.568 0.000 . . . . . . . 113 CYS N . 54014 2
414 . 1 . 1 114 114 HIS H H 1 7.916 0.000 . . . . . . . 114 HIS H . 54014 2
415 . 1 . 1 114 114 HIS C C 13 176.417 0.000 . . . . . . . 114 HIS C . 54014 2
416 . 1 . 1 114 114 HIS CA C 13 57.426 0.000 . . . . . . . 114 HIS CA . 54014 2
417 . 1 . 1 114 114 HIS CB C 13 29.112 0.000 . . . . . . . 114 HIS CB . 54014 2
418 . 1 . 1 114 114 HIS N N 15 117.697 0.000 . . . . . . . 114 HIS N . 54014 2
419 . 1 . 1 115 115 ASP H H 1 8.142 0.000 . . . . . . . 115 ASP H . 54014 2
420 . 1 . 1 115 115 ASP C C 13 177.830 0.000 . . . . . . . 115 ASP C . 54014 2
421 . 1 . 1 115 115 ASP CA C 13 54.627 0.000 . . . . . . . 115 ASP CA . 54014 2
422 . 1 . 1 115 115 ASP CB C 13 40.884 0.000 . . . . . . . 115 ASP CB . 54014 2
423 . 1 . 1 115 115 ASP N N 15 120.148 0.000 . . . . . . . 115 ASP N . 54014 2
424 . 1 . 1 116 116 LYS H H 1 7.852 0.000 . . . . . . . 116 LYS H . 54014 2
425 . 1 . 1 116 116 LYS C C 13 178.410 0.000 . . . . . . . 116 LYS C . 54014 2
426 . 1 . 1 116 116 LYS CA C 13 56.740 0.000 . . . . . . . 116 LYS CA . 54014 2
427 . 1 . 1 116 116 LYS CB C 13 32.702 0.000 . . . . . . . 116 LYS CB . 54014 2
428 . 1 . 1 116 116 LYS N N 15 120.406 0.000 . . . . . . . 116 LYS N . 54014 2
429 . 1 . 1 117 117 GLU H H 1 8.316 0.000 . . . . . . . 117 GLU H . 54014 2
430 . 1 . 1 117 117 GLU C C 13 178.451 0.000 . . . . . . . 117 GLU C . 54014 2
431 . 1 . 1 117 117 GLU CA C 13 57.422 0.000 . . . . . . . 117 GLU CA . 54014 2
432 . 1 . 1 117 117 GLU CB C 13 29.963 0.000 . . . . . . . 117 GLU CB . 54014 2
433 . 1 . 1 117 117 GLU N N 15 120.014 0.000 . . . . . . . 117 GLU N . 54014 2
434 . 1 . 1 118 118 THR H H 1 7.805 0.000 . . . . . . . 118 THR H . 54014 2
435 . 1 . 1 118 118 THR C C 13 175.779 0.000 . . . . . . . 118 THR C . 54014 2
436 . 1 . 1 118 118 THR CA C 13 62.717 0.000 . . . . . . . 118 THR CA . 54014 2
437 . 1 . 1 118 118 THR CB C 13 69.712 0.000 . . . . . . . 118 THR CB . 54014 2
438 . 1 . 1 118 118 THR N N 15 113.414 0.000 . . . . . . . 118 THR N . 54014 2
439 . 1 . 1 119 119 TYR H H 1 7.816 0.000 . . . . . . . 119 TYR H . 54014 2
440 . 1 . 1 119 119 TYR C C 13 176.603 0.000 . . . . . . . 119 TYR C . 54014 2
441 . 1 . 1 119 119 TYR CA C 13 58.145 0.000 . . . . . . . 119 TYR CA . 54014 2
442 . 1 . 1 119 119 TYR CB C 13 38.817 0.000 . . . . . . . 119 TYR CB . 54014 2
443 . 1 . 1 119 119 TYR N N 15 121.094 0.000 . . . . . . . 119 TYR N . 54014 2
444 . 1 . 1 120 120 LYS H H 1 7.730 0.000 . . . . . . . 120 LYS H . 54014 2
445 . 1 . 1 120 120 LYS C C 13 176.725 0.000 . . . . . . . 120 LYS C . 54014 2
446 . 1 . 1 120 120 LYS CA C 13 56.154 0.000 . . . . . . . 120 LYS CA . 54014 2
447 . 1 . 1 120 120 LYS CB C 13 33.301 0.000 . . . . . . . 120 LYS CB . 54014 2
448 . 1 . 1 120 120 LYS N N 15 121.595 0.000 . . . . . . . 120 LYS N . 54014 2
449 . 1 . 1 121 121 LEU H H 1 7.574 0.000 . . . . . . . 121 LEU H . 54014 2
450 . 1 . 1 121 121 LEU C C 13 175.903 0.000 . . . . . . . 121 LEU C . 54014 2
451 . 1 . 1 121 121 LEU CA C 13 56.881 0.000 . . . . . . . 121 LEU CA . 54014 2
452 . 1 . 1 121 121 LEU CB C 13 43.439 0.000 . . . . . . . 121 LEU CB . 54014 2
453 . 1 . 1 121 121 LEU N N 15 128.504 0.000 . . . . . . . 121 LEU N . 54014 2
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