data_17803
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17803
_Entry.PDB_ID 2LGB
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 17803
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.193 -0.270 17803
2 1 1 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.398 1.268 17803
3 1 1 . 1 1 2 2 ILE H H 2 8.376 8.376 7.922 0.454 17803
4 1 1 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.585 0.064 17803
5 1 1 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.810 0.885 17803
6 1 1 . 1 1 3 3 VAL H H 3 7.917 7.917 7.974 -0.057 17803
7 1 1 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.014 0.180 17803
8 1 1 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.633 -0.711 17803
9 1 1 . 1 1 4 4 GLU H H 4 7.994 7.994 8.853 -0.859 17803
10 1 1 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.217 -0.215 17803
11 1 1 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.886 0.748 17803
12 1 1 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.815 0.400 17803
13 1 1 . 1 1 5 5 GLN H H 5 8.210 8.210 7.921 0.289 17803
14 1 1 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.944 -0.133 17803
15 1 1 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.019 -4.471 17803
16 1 1 . 1 1 6 6 CYS H H 6 8.138 8.138 7.562 0.576 17803
17 1 1 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.440 0.322 17803
18 1 1 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.311 -4.200 17803
19 1 1 . 1 1 7 7 CYS H H 7 8.228 8.228 8.599 -0.371 17803
20 1 1 . 1 1 8 8 THR HA H 8 4.038 4.038 4.295 -0.257 17803
21 1 1 . 1 1 8 8 THR CA C 8 64.343 64.343 63.242 1.101 17803
22 1 1 . 1 1 8 8 THR CB C 8 68.548 68.548 69.389 -0.841 17803
23 1 1 . 1 1 8 8 THR H H 8 8.010 8.010 8.009 0.001 17803
24 1 1 . 1 1 9 9 SER HA H 9 4.668 4.668 4.802 -0.134 17803
25 1 1 . 1 1 9 9 SER CA C 9 56.043 56.043 57.166 -1.123 17803
26 1 1 . 1 1 9 9 SER CB C 9 63.877 63.877 65.962 -2.085 17803
27 1 1 . 1 1 9 9 SER H H 9 7.417 7.417 7.642 -0.225 17803
28 1 1 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.107 0.270 17803
29 1 1 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.765 -1.904 17803
30 1 1 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.320 1.099 17803
31 1 1 . 1 1 10 10 ILE H H 10 7.756 7.756 8.248 -0.492 17803
32 1 1 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.223 -0.238 17803
33 1 1 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.250 -3.333 17803
34 1 1 . 1 1 11 11 CYS H H 11 9.351 9.351 8.425 0.926 17803
35 1 1 . 1 1 12 12 SER HA H 12 4.553 4.553 4.801 -0.248 17803
36 1 1 . 1 1 12 12 SER CA C 12 56.396 56.396 56.889 -0.493 17803
37 1 1 . 1 1 12 12 SER CB C 12 65.643 65.643 65.242 0.401 17803
38 1 1 . 1 1 12 12 SER H H 12 8.551 8.551 8.723 -0.172 17803
39 1 1 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.891 0.047 17803
40 1 1 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.905 0.631 17803
41 1 1 . 1 1 13 13 LEU CB C 13 41.364 41.364 40.903 0.461 17803
42 1 1 . 1 1 13 13 LEU H H 13 8.596 8.596 8.633 -0.037 17803
43 1 1 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.426 -0.310 17803
44 1 1 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.035 0.225 17803
45 1 1 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.016 0.825 17803
46 1 1 . 1 1 14 14 TYR H H 14 7.477 7.477 7.871 -0.394 17803
47 1 1 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.838 0.099 17803
48 1 1 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.423 -0.162 17803
49 1 1 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.621 0.498 17803
50 1 1 . 1 1 15 15 GLN H H 15 7.521 7.521 7.485 0.036 17803
51 1 1 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.828 0.274 17803
52 1 1 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.848 0.346 17803
53 1 1 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.623 0.410 17803
54 1 1 . 1 1 16 16 LEU H H 16 7.979 7.979 8.023 -0.044 17803
55 1 1 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.965 0.104 17803
56 1 1 . 1 1 17 17 GLU CA C 17 57.854 57.854 59.160 -1.306 17803
57 1 1 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.356 -1.682 17803
58 1 1 . 1 1 17 17 GLU H H 17 8.067 8.067 8.346 -0.279 17803
59 1 1 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.491 -0.101 17803
60 1 1 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.786 -0.831 17803
61 1 1 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.419 0.078 17803
62 1 1 . 1 1 18 18 ASN H H 18 7.474 7.474 7.505 -0.031 17803
63 1 1 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.455 -0.076 17803
64 1 1 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.144 0.323 17803
65 1 1 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.448 0.638 17803
66 1 1 . 1 1 19 19 TYR H H 19 7.853 7.853 8.205 -0.352 17803
67 1 1 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.393 0.169 17803
68 1 1 . 1 1 20 20 CYS CA C 20 54.523 54.523 60.418 -5.895 17803
69 1 1 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.080 9.887 17803
70 1 1 . 1 1 20 20 CYS H H 20 7.535 7.535 8.109 -0.574 17803
71 1 1 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.755 -0.042 17803
72 1 1 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.194 -0.107 17803
73 1 1 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.063 -0.133 17803
74 1 1 . 1 1 21 21 ASN H H 21 7.968 7.968 7.912 0.056 17803
75 1 2 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.154 -0.231 17803
76 1 2 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.311 0.354 17803
77 1 2 . 1 1 2 2 ILE H H 2 8.376 8.376 9.195 -0.819 17803
78 1 2 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.878 -0.229 17803
79 1 2 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.818 0.877 17803
80 1 2 . 1 1 3 3 VAL H H 3 7.917 7.917 7.940 -0.023 17803
81 1 2 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.232 -0.038 17803
82 1 2 . 1 1 4 4 GLU CB C 4 27.922 27.922 27.830 0.092 17803
83 1 2 . 1 1 4 4 GLU H H 4 7.994 7.994 8.778 -0.784 17803
84 1 2 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.480 -0.478 17803
85 1 2 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.902 0.732 17803
86 1 2 . 1 1 5 5 GLN CB C 5 29.215 29.215 30.272 -1.057 17803
87 1 2 . 1 1 5 5 GLN H H 5 8.210 8.210 7.455 0.755 17803
88 1 2 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.725 0.086 17803
89 1 2 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.738 -6.190 17803
90 1 2 . 1 1 6 6 CYS H H 6 8.138 8.138 8.404 -0.266 17803
91 1 2 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.436 0.326 17803
92 1 2 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.169 -3.058 17803
93 1 2 . 1 1 7 7 CYS H H 7 8.228 8.228 8.515 -0.287 17803
94 1 2 . 1 1 8 8 THR HA H 8 4.038 4.038 4.200 -0.162 17803
95 1 2 . 1 1 8 8 THR CA C 8 64.343 64.343 63.791 0.552 17803
96 1 2 . 1 1 8 8 THR CB C 8 68.548 68.548 69.132 -0.584 17803
97 1 2 . 1 1 8 8 THR H H 8 8.010 8.010 8.102 -0.092 17803
98 1 2 . 1 1 9 9 SER HA H 9 4.668 4.668 4.745 -0.077 17803
99 1 2 . 1 1 9 9 SER CA C 9 56.043 56.043 56.564 -0.521 17803
100 1 2 . 1 1 9 9 SER CB C 9 63.877 63.877 64.569 -0.692 17803
101 1 2 . 1 1 9 9 SER H H 9 7.417 7.417 7.584 -0.167 17803
102 1 2 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.193 0.184 17803
103 1 2 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.801 -0.940 17803
104 1 2 . 1 1 10 10 ILE CB C 10 39.419 39.419 37.785 1.635 17803
105 1 2 . 1 1 10 10 ILE H H 10 7.756 7.756 8.083 -0.327 17803
106 1 2 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.689 0.296 17803
107 1 2 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.237 -5.320 17803
108 1 2 . 1 1 11 11 CYS H H 11 9.351 9.351 8.689 0.662 17803
109 1 2 . 1 1 12 12 SER HA H 12 4.553 4.553 4.895 -0.342 17803
110 1 2 . 1 1 12 12 SER CA C 12 56.396 56.396 56.713 -0.317 17803
111 1 2 . 1 1 12 12 SER CB C 12 65.643 65.643 64.632 1.012 17803
112 1 2 . 1 1 12 12 SER H H 12 8.551 8.551 8.722 -0.171 17803
113 1 2 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.090 -0.152 17803
114 1 2 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.941 0.595 17803
115 1 2 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.425 -0.061 17803
116 1 2 . 1 1 13 13 LEU H H 13 8.596 8.596 8.789 -0.193 17803
117 1 2 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.208 -0.092 17803
118 1 2 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.614 -0.354 17803
119 1 2 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.704 -0.864 17803
120 1 2 . 1 1 14 14 TYR H H 14 7.477 7.477 7.740 -0.263 17803
121 1 2 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.831 0.106 17803
122 1 2 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.086 0.175 17803
123 1 2 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.058 0.061 17803
124 1 2 . 1 1 15 15 GLN H H 15 7.521 7.521 7.666 -0.145 17803
125 1 2 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.883 0.219 17803
126 1 2 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.813 0.381 17803
127 1 2 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.930 0.103 17803
128 1 2 . 1 1 16 16 LEU H H 16 7.979 7.979 8.294 -0.315 17803
129 1 2 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.921 0.148 17803
130 1 2 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.858 -1.004 17803
131 1 2 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.207 -1.533 17803
132 1 2 . 1 1 17 17 GLU H H 17 8.067 8.067 8.138 -0.071 17803
133 1 2 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.344 0.046 17803
134 1 2 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.697 -0.742 17803
135 1 2 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.083 0.414 17803
136 1 2 . 1 1 18 18 ASN H H 18 7.474 7.474 7.353 0.121 17803
137 1 2 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.443 -0.064 17803
138 1 2 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.055 0.412 17803
139 1 2 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.379 0.707 17803
140 1 2 . 1 1 19 19 TYR H H 19 7.853 7.853 7.249 0.604 17803
141 1 2 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.614 -0.052 17803
142 1 2 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.763 -4.240 17803
143 1 2 . 1 1 20 20 CYS CB C 20 36.967 36.967 26.812 10.155 17803
144 1 2 . 1 1 20 20 CYS H H 20 7.535 7.535 7.597 -0.062 17803
145 1 2 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.394 0.319 17803
146 1 2 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.346 -0.259 17803
147 1 2 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.372 1.558 17803
148 1 2 . 1 1 21 21 ASN H H 21 7.968 7.968 7.897 0.071 17803
149 1 3 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.621 0.302 17803
150 1 3 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.185 -0.520 17803
151 1 3 . 1 1 2 2 ILE H H 2 8.376 8.376 8.245 0.131 17803
152 1 3 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.735 -0.086 17803
153 1 3 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.637 1.058 17803
154 1 3 . 1 1 3 3 VAL H H 3 7.917 7.917 7.975 -0.058 17803
155 1 3 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.245 -0.051 17803
156 1 3 . 1 1 4 4 GLU CB C 4 27.922 27.922 27.878 0.044 17803
157 1 3 . 1 1 4 4 GLU H H 4 7.994 7.994 8.327 -0.333 17803
158 1 3 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.610 -0.608 17803
159 1 3 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.516 1.118 17803
160 1 3 . 1 1 5 5 GLN CB C 5 29.215 29.215 30.529 -1.313 17803
161 1 3 . 1 1 5 5 GLN H H 5 8.210 8.210 7.655 0.555 17803
162 1 3 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.880 -0.069 17803
163 1 3 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.692 -6.144 17803
164 1 3 . 1 1 6 6 CYS H H 6 8.138 8.138 7.939 0.199 17803
165 1 3 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.410 0.352 17803
166 1 3 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.728 -3.617 17803
167 1 3 . 1 1 7 7 CYS H H 7 8.228 8.228 8.724 -0.496 17803
168 1 3 . 1 1 8 8 THR HA H 8 4.038 4.038 4.360 -0.322 17803
169 1 3 . 1 1 8 8 THR CA C 8 64.343 64.343 62.577 1.766 17803
170 1 3 . 1 1 8 8 THR CB C 8 68.548 68.548 69.554 -1.006 17803
171 1 3 . 1 1 8 8 THR H H 8 8.010 8.010 8.367 -0.357 17803
172 1 3 . 1 1 9 9 SER HA H 9 4.668 4.668 4.771 -0.103 17803
173 1 3 . 1 1 9 9 SER CA C 9 56.043 56.043 57.215 -1.172 17803
174 1 3 . 1 1 9 9 SER CB C 9 63.877 63.877 65.364 -1.487 17803
175 1 3 . 1 1 9 9 SER H H 9 7.417 7.417 7.745 -0.328 17803
176 1 3 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.179 0.198 17803
177 1 3 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.633 -1.772 17803
178 1 3 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.608 0.811 17803
179 1 3 . 1 1 10 10 ILE H H 10 7.756 7.756 8.058 -0.302 17803
180 1 3 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.934 0.051 17803
181 1 3 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.980 -5.063 17803
182 1 3 . 1 1 11 11 CYS H H 11 9.351 9.351 8.355 0.996 17803
183 1 3 . 1 1 12 12 SER HA H 12 4.553 4.553 4.815 -0.262 17803
184 1 3 . 1 1 12 12 SER CA C 12 56.396 56.396 56.859 -0.463 17803
185 1 3 . 1 1 12 12 SER CB C 12 65.643 65.643 64.810 0.833 17803
186 1 3 . 1 1 12 12 SER H H 12 8.551 8.551 8.723 -0.172 17803
187 1 3 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.977 -0.039 17803
188 1 3 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.810 0.726 17803
189 1 3 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.187 0.177 17803
190 1 3 . 1 1 13 13 LEU H H 13 8.596 8.596 8.922 -0.326 17803
191 1 3 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.580 -0.464 17803
192 1 3 . 1 1 14 14 TYR CA C 14 60.260 60.260 58.695 1.565 17803
193 1 3 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.018 0.822 17803
194 1 3 . 1 1 14 14 TYR H H 14 7.477 7.477 8.123 -0.646 17803
195 1 3 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.233 -0.296 17803
196 1 3 . 1 1 15 15 GLN CA C 15 58.261 58.261 56.982 1.279 17803
197 1 3 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.119 0.000 17803
198 1 3 . 1 1 15 15 GLN H H 15 7.521 7.521 7.567 -0.046 17803
199 1 3 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.458 -0.356 17803
200 1 3 . 1 1 16 16 LEU CA C 16 58.194 58.194 56.835 1.359 17803
201 1 3 . 1 1 16 16 LEU CB C 16 42.033 42.033 42.246 -0.213 17803
202 1 3 . 1 1 16 16 LEU H H 16 7.979 7.979 7.635 0.344 17803
203 1 3 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.082 -0.013 17803
204 1 3 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.385 -0.531 17803
205 1 3 . 1 1 17 17 GLU CB C 17 27.674 27.674 28.680 -1.006 17803
206 1 3 . 1 1 17 17 GLU H H 17 8.067 8.067 8.167 -0.100 17803
207 1 3 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.374 0.016 17803
208 1 3 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.325 -0.370 17803
209 1 3 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.133 0.365 17803
210 1 3 . 1 1 18 18 ASN H H 18 7.474 7.474 7.935 -0.461 17803
211 1 3 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.589 -0.210 17803
212 1 3 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.481 -0.014 17803
213 1 3 . 1 1 19 19 TYR CB C 19 38.086 38.086 38.240 -0.154 17803
214 1 3 . 1 1 19 19 TYR H H 19 7.853 7.853 8.073 -0.220 17803
215 1 3 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.384 0.178 17803
216 1 3 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.423 -4.900 17803
217 1 3 . 1 1 20 20 CYS CB C 20 36.967 36.967 26.550 10.417 17803
218 1 3 . 1 1 20 20 CYS H H 20 7.535 7.535 7.868 -0.333 17803
219 1 3 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.350 0.363 17803
220 1 3 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.634 -0.547 17803
221 1 3 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.140 1.790 17803
222 1 3 . 1 1 21 21 ASN H H 21 7.968 7.968 7.844 0.124 17803
223 1 4 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.650 0.273 17803
224 1 4 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.569 0.096 17803
225 1 4 . 1 1 2 2 ILE H H 2 8.376 8.376 8.306 0.070 17803
226 1 4 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.701 -0.052 17803
227 1 4 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.324 1.371 17803
228 1 4 . 1 1 3 3 VAL H H 3 7.917 7.917 7.917 0.000 17803
229 1 4 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.043 0.151 17803
230 1 4 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.704 -0.782 17803
231 1 4 . 1 1 4 4 GLU H H 4 7.994 7.994 8.812 -0.818 17803
232 1 4 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.186 -0.184 17803
233 1 4 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.078 0.556 17803
234 1 4 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.358 0.857 17803
235 1 4 . 1 1 5 5 GLN H H 5 8.210 8.210 7.893 0.317 17803
236 1 4 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.833 -0.022 17803
237 1 4 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.790 -5.242 17803
238 1 4 . 1 1 6 6 CYS H H 6 8.138 8.138 7.713 0.425 17803
239 1 4 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.510 0.252 17803
240 1 4 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.281 -4.170 17803
241 1 4 . 1 1 7 7 CYS H H 7 8.228 8.228 8.793 -0.565 17803
242 1 4 . 1 1 8 8 THR HA H 8 4.038 4.038 4.399 -0.361 17803
243 1 4 . 1 1 8 8 THR CA C 8 64.343 64.343 62.495 1.848 17803
244 1 4 . 1 1 8 8 THR CB C 8 68.548 68.548 69.765 -1.217 17803
245 1 4 . 1 1 8 8 THR H H 8 8.010 8.010 7.776 0.234 17803
246 1 4 . 1 1 9 9 SER HA H 9 4.668 4.668 4.679 -0.011 17803
247 1 4 . 1 1 9 9 SER CA C 9 56.043 56.043 57.679 -1.636 17803
248 1 4 . 1 1 9 9 SER CB C 9 63.877 63.877 64.842 -0.965 17803
249 1 4 . 1 1 9 9 SER H H 9 7.417 7.417 7.987 -0.570 17803
250 1 4 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.279 0.098 17803
251 1 4 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.839 -0.978 17803
252 1 4 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.889 0.530 17803
253 1 4 . 1 1 10 10 ILE H H 10 7.756 7.756 8.090 -0.334 17803
254 1 4 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.081 -0.096 17803
255 1 4 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.793 -3.876 17803
256 1 4 . 1 1 11 11 CYS H H 11 9.351 9.351 8.259 1.092 17803
257 1 4 . 1 1 12 12 SER HA H 12 4.553 4.553 4.684 -0.131 17803
258 1 4 . 1 1 12 12 SER CA C 12 56.396 56.396 56.334 0.062 17803
259 1 4 . 1 1 12 12 SER CB C 12 65.643 65.643 64.451 1.192 17803
260 1 4 . 1 1 12 12 SER H H 12 8.551 8.551 8.632 -0.081 17803
261 1 4 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.940 -0.002 17803
262 1 4 . 1 1 13 13 LEU CA C 13 58.536 58.536 58.114 0.423 17803
263 1 4 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.154 0.210 17803
264 1 4 . 1 1 13 13 LEU H H 13 8.596 8.596 8.628 -0.032 17803
265 1 4 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.661 -0.545 17803
266 1 4 . 1 1 14 14 TYR CA C 14 60.260 60.260 58.310 1.950 17803
267 1 4 . 1 1 14 14 TYR CB C 14 37.840 37.840 36.758 1.082 17803
268 1 4 . 1 1 14 14 TYR H H 14 7.477 7.477 7.925 -0.448 17803
269 1 4 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.073 -0.136 17803
270 1 4 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.493 0.768 17803
271 1 4 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.111 0.008 17803
272 1 4 . 1 1 15 15 GLN H H 15 7.521 7.521 7.273 0.248 17803
273 1 4 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.778 0.324 17803
274 1 4 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.811 0.383 17803
275 1 4 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.835 0.198 17803
276 1 4 . 1 1 16 16 LEU H H 16 7.979 7.979 7.822 0.157 17803
277 1 4 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.929 0.140 17803
278 1 4 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.837 -0.982 17803
279 1 4 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.284 -1.610 17803
280 1 4 . 1 1 17 17 GLU H H 17 8.067 8.067 8.209 -0.142 17803
281 1 4 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.464 -0.074 17803
282 1 4 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.723 -0.768 17803
283 1 4 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.300 0.197 17803
284 1 4 . 1 1 18 18 ASN H H 18 7.474 7.474 7.552 -0.078 17803
285 1 4 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.463 -0.084 17803
286 1 4 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.934 0.534 17803
287 1 4 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.627 0.459 17803
288 1 4 . 1 1 19 19 TYR H H 19 7.853 7.853 7.353 0.500 17803
289 1 4 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.812 -0.250 17803
290 1 4 . 1 1 20 20 CYS CA C 20 54.523 54.523 57.126 -2.603 17803
291 1 4 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.451 9.516 17803
292 1 4 . 1 1 20 20 CYS H H 20 7.535 7.535 7.625 -0.090 17803
293 1 4 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.330 0.383 17803
294 1 4 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.413 -0.325 17803
295 1 4 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.319 1.611 17803
296 1 4 . 1 1 21 21 ASN H H 21 7.968 7.968 7.976 -0.008 17803
297 1 5 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.862 0.061 17803
298 1 5 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.663 0.002 17803
299 1 5 . 1 1 2 2 ILE H H 2 8.376 8.376 8.032 0.344 17803
300 1 5 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.573 0.076 17803
301 1 5 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.815 0.880 17803
302 1 5 . 1 1 3 3 VAL H H 3 7.917 7.917 7.977 -0.060 17803
303 1 5 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.986 0.208 17803
304 1 5 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.714 -0.792 17803
305 1 5 . 1 1 4 4 GLU H H 4 7.994 7.994 8.876 -0.882 17803
306 1 5 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.167 -0.165 17803
307 1 5 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.319 0.315 17803
308 1 5 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.931 0.284 17803
309 1 5 . 1 1 5 5 GLN H H 5 8.210 8.210 7.770 0.440 17803
310 1 5 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.614 0.197 17803
311 1 5 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.280 -5.732 17803
312 1 5 . 1 1 6 6 CYS H H 6 8.138 8.138 7.761 0.377 17803
313 1 5 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.520 0.242 17803
314 1 5 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.786 -4.675 17803
315 1 5 . 1 1 7 7 CYS H H 7 8.228 8.228 8.936 -0.708 17803
316 1 5 . 1 1 8 8 THR HA H 8 4.038 4.038 4.316 -0.278 17803
317 1 5 . 1 1 8 8 THR CA C 8 64.343 64.343 63.223 1.120 17803
318 1 5 . 1 1 8 8 THR CB C 8 68.548 68.548 69.358 -0.810 17803
319 1 5 . 1 1 8 8 THR H H 8 8.010 8.010 7.849 0.161 17803
320 1 5 . 1 1 9 9 SER HA H 9 4.668 4.668 4.657 0.011 17803
321 1 5 . 1 1 9 9 SER CA C 9 56.043 56.043 57.026 -0.983 17803
322 1 5 . 1 1 9 9 SER CB C 9 63.877 63.877 64.207 -0.330 17803
323 1 5 . 1 1 9 9 SER H H 9 7.417 7.417 7.842 -0.425 17803
324 1 5 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.505 -0.129 17803
325 1 5 . 1 1 10 10 ILE CA C 10 59.861 59.861 59.892 -0.031 17803
326 1 5 . 1 1 10 10 ILE CB C 10 39.419 39.419 40.328 -0.909 17803
327 1 5 . 1 1 10 10 ILE H H 10 7.756 7.756 8.089 -0.333 17803
328 1 5 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.103 -0.118 17803
329 1 5 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.611 -3.695 17803
330 1 5 . 1 1 11 11 CYS H H 11 9.351 9.351 8.316 1.035 17803
331 1 5 . 1 1 12 12 SER HA H 12 4.553 4.553 4.664 -0.111 17803
332 1 5 . 1 1 12 12 SER CA C 12 56.396 56.396 56.353 0.043 17803
333 1 5 . 1 1 12 12 SER CB C 12 65.643 65.643 63.989 1.654 17803
334 1 5 . 1 1 12 12 SER H H 12 8.551 8.551 8.821 -0.270 17803
335 1 5 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.926 0.012 17803
336 1 5 . 1 1 13 13 LEU CA C 13 58.536 58.536 58.060 0.475 17803
337 1 5 . 1 1 13 13 LEU CB C 13 41.364 41.364 40.978 0.386 17803
338 1 5 . 1 1 13 13 LEU H H 13 8.596 8.596 8.637 -0.041 17803
339 1 5 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.254 -0.138 17803
340 1 5 . 1 1 14 14 TYR CA C 14 60.260 60.260 59.136 1.124 17803
341 1 5 . 1 1 14 14 TYR CB C 14 37.840 37.840 36.624 1.216 17803
342 1 5 . 1 1 14 14 TYR H H 14 7.477 7.477 7.900 -0.423 17803
343 1 5 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.006 -0.069 17803
344 1 5 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.566 0.696 17803
345 1 5 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.057 0.062 17803
346 1 5 . 1 1 15 15 GLN H H 15 7.521 7.521 7.220 0.301 17803
347 1 5 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.529 0.573 17803
348 1 5 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.791 0.403 17803
349 1 5 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.831 0.202 17803
350 1 5 . 1 1 16 16 LEU H H 16 7.979 7.979 8.080 -0.101 17803
351 1 5 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.942 0.127 17803
352 1 5 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.752 -0.898 17803
353 1 5 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.537 -1.863 17803
354 1 5 . 1 1 17 17 GLU H H 17 8.067 8.067 8.157 -0.090 17803
355 1 5 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.533 -0.143 17803
356 1 5 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.163 -0.207 17803
357 1 5 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.347 0.150 17803
358 1 5 . 1 1 18 18 ASN H H 18 7.474 7.474 7.493 -0.019 17803
359 1 5 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.517 -0.138 17803
360 1 5 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.586 0.881 17803
361 1 5 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.112 0.974 17803
362 1 5 . 1 1 19 19 TYR H H 19 7.853 7.853 7.404 0.449 17803
363 1 5 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.413 0.149 17803
364 1 5 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.672 -5.149 17803
365 1 5 . 1 1 20 20 CYS CB C 20 36.967 36.967 26.619 10.348 17803
366 1 5 . 1 1 20 20 CYS H H 20 7.535 7.535 7.759 -0.224 17803
367 1 5 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.705 0.008 17803
368 1 5 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.830 0.257 17803
369 1 5 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.279 1.651 17803
370 1 5 . 1 1 21 21 ASN H H 21 7.968 7.968 7.792 0.176 17803
371 1 6 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.268 0.655 17803
372 1 6 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.793 -1.128 17803
373 1 6 . 1 1 2 2 ILE H H 2 8.376 8.376 8.392 -0.016 17803
374 1 6 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.628 0.021 17803
375 1 6 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.070 0.625 17803
376 1 6 . 1 1 3 3 VAL H H 3 7.917 7.917 7.827 0.090 17803
377 1 6 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.968 0.226 17803
378 1 6 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.045 -1.123 17803
379 1 6 . 1 1 4 4 GLU H H 4 7.994 7.994 8.325 -0.331 17803
380 1 6 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.176 -0.174 17803
381 1 6 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.127 0.507 17803
382 1 6 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.552 0.663 17803
383 1 6 . 1 1 5 5 GLN H H 5 8.210 8.210 8.098 0.112 17803
384 1 6 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.928 -0.117 17803
385 1 6 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.684 -4.136 17803
386 1 6 . 1 1 6 6 CYS H H 6 8.138 8.138 7.678 0.460 17803
387 1 6 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.714 0.048 17803
388 1 6 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.053 -3.942 17803
389 1 6 . 1 1 7 7 CYS H H 7 8.228 8.228 8.155 0.073 17803
390 1 6 . 1 1 8 8 THR HA H 8 4.038 4.038 4.370 -0.332 17803
391 1 6 . 1 1 8 8 THR CA C 8 64.343 64.343 63.014 1.329 17803
392 1 6 . 1 1 8 8 THR CB C 8 68.548 68.548 69.490 -0.942 17803
393 1 6 . 1 1 8 8 THR H H 8 8.010 8.010 8.176 -0.166 17803
394 1 6 . 1 1 9 9 SER HA H 9 4.668 4.668 4.829 -0.161 17803
395 1 6 . 1 1 9 9 SER CA C 9 56.043 56.043 56.746 -0.703 17803
396 1 6 . 1 1 9 9 SER CB C 9 63.877 63.877 65.947 -2.070 17803
397 1 6 . 1 1 9 9 SER H H 9 7.417 7.417 7.766 -0.349 17803
398 1 6 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.446 -0.069 17803
399 1 6 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.253 -0.392 17803
400 1 6 . 1 1 10 10 ILE CB C 10 39.419 39.419 39.053 0.366 17803
401 1 6 . 1 1 10 10 ILE H H 10 7.756 7.756 8.276 -0.520 17803
402 1 6 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.026 -0.041 17803
403 1 6 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.159 -4.242 17803
404 1 6 . 1 1 11 11 CYS H H 11 9.351 9.351 8.806 0.545 17803
405 1 6 . 1 1 12 12 SER HA H 12 4.553 4.553 4.746 -0.193 17803
406 1 6 . 1 1 12 12 SER CA C 12 56.396 56.396 57.342 -0.946 17803
407 1 6 . 1 1 12 12 SER CB C 12 65.643 65.643 65.754 -0.111 17803
408 1 6 . 1 1 12 12 SER H H 12 8.551 8.551 9.178 -0.627 17803
409 1 6 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.918 0.020 17803
410 1 6 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.730 0.806 17803
411 1 6 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.145 0.218 17803
412 1 6 . 1 1 13 13 LEU H H 13 8.596 8.596 8.619 -0.023 17803
413 1 6 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.287 -0.171 17803
414 1 6 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.514 -0.254 17803
415 1 6 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.761 0.079 17803
416 1 6 . 1 1 14 14 TYR H H 14 7.477 7.477 7.596 -0.119 17803
417 1 6 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.013 -0.076 17803
418 1 6 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.537 0.724 17803
419 1 6 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.795 0.324 17803
420 1 6 . 1 1 15 15 GLN H H 15 7.521 7.521 7.839 -0.318 17803
421 1 6 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.963 0.139 17803
422 1 6 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.862 0.332 17803
423 1 6 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.713 0.320 17803
424 1 6 . 1 1 16 16 LEU H H 16 7.979 7.979 7.885 0.094 17803
425 1 6 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.144 -0.075 17803
426 1 6 . 1 1 17 17 GLU CA C 17 57.854 57.854 57.831 0.023 17803
427 1 6 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.344 -1.670 17803
428 1 6 . 1 1 17 17 GLU H H 17 8.067 8.067 7.989 0.078 17803
429 1 6 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.645 -0.255 17803
430 1 6 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.166 -0.211 17803
431 1 6 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.986 -0.489 17803
432 1 6 . 1 1 18 18 ASN H H 18 7.474 7.474 7.646 -0.172 17803
433 1 6 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.354 0.025 17803
434 1 6 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.647 -0.180 17803
435 1 6 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.521 0.565 17803
436 1 6 . 1 1 19 19 TYR H H 19 7.853 7.853 8.297 -0.444 17803
437 1 6 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.447 0.115 17803
438 1 6 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.638 -4.115 17803
439 1 6 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.463 9.504 17803
440 1 6 . 1 1 20 20 CYS H H 20 7.535 7.535 7.991 -0.456 17803
441 1 6 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.415 0.298 17803
442 1 6 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.834 -0.746 17803
443 1 6 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.062 1.868 17803
444 1 6 . 1 1 21 21 ASN H H 21 7.968 7.968 8.101 -0.133 17803
445 1 7 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.621 0.302 17803
446 1 7 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.707 -0.042 17803
447 1 7 . 1 1 2 2 ILE H H 2 8.376 8.376 8.163 0.213 17803
448 1 7 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.641 0.008 17803
449 1 7 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.231 0.464 17803
450 1 7 . 1 1 3 3 VAL H H 3 7.917 7.917 7.772 0.145 17803
451 1 7 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.962 0.232 17803
452 1 7 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.056 -1.135 17803
453 1 7 . 1 1 4 4 GLU H H 4 7.994 7.994 8.699 -0.705 17803
454 1 7 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.156 -0.154 17803
455 1 7 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.575 0.059 17803
456 1 7 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.817 0.398 17803
457 1 7 . 1 1 5 5 GLN H H 5 8.210 8.210 8.296 -0.086 17803
458 1 7 . 1 1 6 6 CYS HA H 6 4.811 4.811 5.088 -0.277 17803
459 1 7 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.656 -4.108 17803
460 1 7 . 1 1 6 6 CYS H H 6 8.138 8.138 7.677 0.461 17803
461 1 7 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.496 0.266 17803
462 1 7 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.048 -3.937 17803
463 1 7 . 1 1 7 7 CYS H H 7 8.228 8.228 8.415 -0.188 17803
464 1 7 . 1 1 8 8 THR HA H 8 4.038 4.038 4.267 -0.229 17803
465 1 7 . 1 1 8 8 THR CA C 8 64.343 64.343 64.036 0.307 17803
466 1 7 . 1 1 8 8 THR CB C 8 68.548 68.548 69.379 -0.831 17803
467 1 7 . 1 1 8 8 THR H H 8 8.010 8.010 8.347 -0.337 17803
468 1 7 . 1 1 9 9 SER HA H 9 4.668 4.668 4.766 -0.098 17803
469 1 7 . 1 1 9 9 SER CA C 9 56.043 56.043 57.223 -1.180 17803
470 1 7 . 1 1 9 9 SER CB C 9 63.877 63.877 65.986 -2.109 17803
471 1 7 . 1 1 9 9 SER H H 9 7.417 7.417 7.555 -0.138 17803
472 1 7 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.185 0.192 17803
473 1 7 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.927 -2.066 17803
474 1 7 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.597 0.822 17803
475 1 7 . 1 1 10 10 ILE H H 10 7.756 7.756 8.192 -0.436 17803
476 1 7 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.963 0.022 17803
477 1 7 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.178 -5.261 17803
478 1 7 . 1 1 11 11 CYS H H 11 9.351 9.351 8.455 0.896 17803
479 1 7 . 1 1 12 12 SER HA H 12 4.553 4.553 4.869 -0.316 17803
480 1 7 . 1 1 12 12 SER CA C 12 56.396 56.396 57.157 -0.761 17803
481 1 7 . 1 1 12 12 SER CB C 12 65.643 65.643 64.459 1.184 17803
482 1 7 . 1 1 12 12 SER H H 12 8.551 8.551 9.002 -0.451 17803
483 1 7 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.003 -0.065 17803
484 1 7 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.715 0.821 17803
485 1 7 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.536 -0.172 17803
486 1 7 . 1 1 13 13 LEU H H 13 8.596 8.596 8.852 -0.256 17803
487 1 7 . 1 1 14 14 TYR HA H 14 4.116 4.116 3.989 0.127 17803
488 1 7 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.029 -0.769 17803
489 1 7 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.929 -0.089 17803
490 1 7 . 1 1 14 14 TYR H H 14 7.477 7.477 8.362 -0.885 17803
491 1 7 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.750 0.187 17803
492 1 7 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.340 -0.079 17803
493 1 7 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.608 0.511 17803
494 1 7 . 1 1 15 15 GLN H H 15 7.521 7.521 7.922 -0.401 17803
495 1 7 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.934 0.168 17803
496 1 7 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.042 1.152 17803
497 1 7 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.044 0.989 17803
498 1 7 . 1 1 16 16 LEU H H 16 7.979 7.979 7.384 0.595 17803
499 1 7 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.887 0.182 17803
500 1 7 . 1 1 17 17 GLU CA C 17 57.854 57.854 59.267 -1.413 17803
501 1 7 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.355 -1.681 17803
502 1 7 . 1 1 17 17 GLU H H 17 8.067 8.067 8.427 -0.360 17803
503 1 7 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.290 0.100 17803
504 1 7 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.278 -0.323 17803
505 1 7 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.175 0.322 17803
506 1 7 . 1 1 18 18 ASN H H 18 7.474 7.474 7.603 -0.129 17803
507 1 7 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.476 -0.097 17803
508 1 7 . 1 1 19 19 TYR CA C 19 59.467 59.467 56.499 2.968 17803
509 1 7 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.514 0.572 17803
510 1 7 . 1 1 19 19 TYR H H 19 7.853 7.853 7.135 0.718 17803
511 1 7 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.438 0.124 17803
512 1 7 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.204 -3.681 17803
513 1 7 . 1 1 20 20 CYS CB C 20 36.967 36.967 24.962 12.005 17803
514 1 7 . 1 1 20 20 CYS H H 20 7.535 7.535 7.798 -0.263 17803
515 1 7 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.783 -0.070 17803
516 1 7 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.472 -0.385 17803
517 1 7 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.079 0.851 17803
518 1 7 . 1 1 21 21 ASN H H 21 7.968 7.968 8.035 -0.067 17803
519 1 8 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.583 0.340 17803
520 1 8 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.092 0.573 17803
521 1 8 . 1 1 2 2 ILE H H 2 8.376 8.376 8.273 0.103 17803
522 1 8 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.678 -0.029 17803
523 1 8 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.360 0.335 17803
524 1 8 . 1 1 3 3 VAL H H 3 7.917 7.917 7.893 0.024 17803
525 1 8 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.931 0.263 17803
526 1 8 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.137 -1.215 17803
527 1 8 . 1 1 4 4 GLU H H 4 7.994 7.994 8.681 -0.687 17803
528 1 8 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.132 -0.130 17803
529 1 8 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.884 -0.250 17803
530 1 8 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.744 0.471 17803
531 1 8 . 1 1 5 5 GLN H H 5 8.210 8.210 8.185 0.025 17803
532 1 8 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.953 -0.142 17803
533 1 8 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.741 -4.193 17803
534 1 8 . 1 1 6 6 CYS H H 6 8.138 8.138 7.920 0.218 17803
535 1 8 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.442 0.320 17803
536 1 8 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.161 -4.050 17803
537 1 8 . 1 1 7 7 CYS H H 7 8.228 8.228 8.536 -0.308 17803
538 1 8 . 1 1 8 8 THR HA H 8 4.038 4.038 4.344 -0.306 17803
539 1 8 . 1 1 8 8 THR CA C 8 64.343 64.343 63.548 0.795 17803
540 1 8 . 1 1 8 8 THR CB C 8 68.548 68.548 69.181 -0.634 17803
541 1 8 . 1 1 8 8 THR H H 8 8.010 8.010 8.274 -0.264 17803
542 1 8 . 1 1 9 9 SER HA H 9 4.668 4.668 4.726 -0.058 17803
543 1 8 . 1 1 9 9 SER CA C 9 56.043 56.043 57.130 -1.087 17803
544 1 8 . 1 1 9 9 SER CB C 9 63.877 63.877 66.084 -2.207 17803
545 1 8 . 1 1 9 9 SER H H 9 7.417 7.417 7.578 -0.161 17803
546 1 8 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.114 0.263 17803
547 1 8 . 1 1 10 10 ILE CA C 10 59.861 59.861 62.009 -2.148 17803
548 1 8 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.468 0.951 17803
549 1 8 . 1 1 10 10 ILE H H 10 7.756 7.756 8.082 -0.326 17803
550 1 8 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.804 0.181 17803
551 1 8 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.887 -5.970 17803
552 1 8 . 1 1 11 11 CYS H H 11 9.351 9.351 8.601 0.750 17803
553 1 8 . 1 1 12 12 SER HA H 12 4.553 4.553 4.788 -0.235 17803
554 1 8 . 1 1 12 12 SER CA C 12 56.396 56.396 56.870 -0.474 17803
555 1 8 . 1 1 12 12 SER CB C 12 65.643 65.643 64.531 1.112 17803
556 1 8 . 1 1 12 12 SER H H 12 8.551 8.551 8.461 0.090 17803
557 1 8 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.815 0.123 17803
558 1 8 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.624 0.912 17803
559 1 8 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.186 0.178 17803
560 1 8 . 1 1 13 13 LEU H H 13 8.596 8.596 8.734 -0.138 17803
561 1 8 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.176 -0.060 17803
562 1 8 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.090 0.169 17803
563 1 8 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.295 0.545 17803
564 1 8 . 1 1 14 14 TYR H H 14 7.477 7.477 7.980 -0.503 17803
565 1 8 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.002 -0.065 17803
566 1 8 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.093 1.168 17803
567 1 8 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.070 0.049 17803
568 1 8 . 1 1 15 15 GLN H H 15 7.521 7.521 7.634 -0.113 17803
569 1 8 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.905 0.197 17803
570 1 8 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.718 0.476 17803
571 1 8 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.840 0.193 17803
572 1 8 . 1 1 16 16 LEU H H 16 7.979 7.979 7.820 0.159 17803
573 1 8 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.046 0.023 17803
574 1 8 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.040 -0.186 17803
575 1 8 . 1 1 17 17 GLU CB C 17 27.674 27.674 30.007 -2.333 17803
576 1 8 . 1 1 17 17 GLU H H 17 8.067 8.067 8.280 -0.213 17803
577 1 8 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.623 -0.233 17803
578 1 8 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.317 0.638 17803
579 1 8 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.767 -0.270 17803
580 1 8 . 1 1 18 18 ASN H H 18 7.474 7.474 7.407 0.067 17803
581 1 8 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.452 -0.073 17803
582 1 8 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.132 1.335 17803
583 1 8 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.918 0.168 17803
584 1 8 . 1 1 19 19 TYR H H 19 7.853 7.853 7.233 0.620 17803
585 1 8 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.564 -0.002 17803
586 1 8 . 1 1 20 20 CYS CA C 20 54.523 54.523 57.024 -2.501 17803
587 1 8 . 1 1 20 20 CYS CB C 20 36.967 36.967 28.183 8.784 17803
588 1 8 . 1 1 20 20 CYS H H 20 7.535 7.535 8.050 -0.515 17803
589 1 8 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.693 0.020 17803
590 1 8 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.922 0.165 17803
591 1 8 . 1 1 21 21 ASN CB C 21 38.930 38.930 36.719 2.211 17803
592 1 8 . 1 1 21 21 ASN H H 21 7.968 7.968 8.820 -0.852 17803
593 1 9 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.594 0.329 17803
594 1 9 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.558 -0.893 17803
595 1 9 . 1 1 2 2 ILE H H 2 8.376 8.376 8.361 0.015 17803
596 1 9 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.699 -0.050 17803
597 1 9 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.615 1.080 17803
598 1 9 . 1 1 3 3 VAL H H 3 7.917 7.917 7.918 -0.001 17803
599 1 9 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.949 0.245 17803
600 1 9 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.098 -1.176 17803
601 1 9 . 1 1 4 4 GLU H H 4 7.994 7.994 8.447 -0.453 17803
602 1 9 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.110 -0.108 17803
603 1 9 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.285 0.349 17803
604 1 9 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.481 0.734 17803
605 1 9 . 1 1 5 5 GLN H H 5 8.210 8.210 8.051 0.159 17803
606 1 9 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.744 0.067 17803
607 1 9 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.174 -4.626 17803
608 1 9 . 1 1 6 6 CYS H H 6 8.138 8.138 7.520 0.618 17803
609 1 9 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.561 0.201 17803
610 1 9 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.856 -3.745 17803
611 1 9 . 1 1 7 7 CYS H H 7 8.228 8.228 8.668 -0.440 17803
612 1 9 . 1 1 8 8 THR HA H 8 4.038 4.038 4.406 -0.368 17803
613 1 9 . 1 1 8 8 THR CA C 8 64.343 64.343 62.376 1.967 17803
614 1 9 . 1 1 8 8 THR CB C 8 68.548 68.548 69.816 -1.268 17803
615 1 9 . 1 1 8 8 THR H H 8 8.010 8.010 7.991 0.019 17803
616 1 9 . 1 1 9 9 SER HA H 9 4.668 4.668 4.670 -0.002 17803
617 1 9 . 1 1 9 9 SER CA C 9 56.043 56.043 57.704 -1.661 17803
618 1 9 . 1 1 9 9 SER CB C 9 63.877 63.877 64.722 -0.845 17803
619 1 9 . 1 1 9 9 SER H H 9 7.417 7.417 8.099 -0.682 17803
620 1 9 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.105 0.272 17803
621 1 9 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.495 -1.634 17803
622 1 9 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.541 0.878 17803
623 1 9 . 1 1 10 10 ILE H H 10 7.756 7.756 8.092 -0.336 17803
624 1 9 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.616 0.369 17803
625 1 9 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.317 -5.400 17803
626 1 9 . 1 1 11 11 CYS H H 11 9.351 9.351 8.591 0.760 17803
627 1 9 . 1 1 12 12 SER HA H 12 4.553 4.553 4.569 -0.016 17803
628 1 9 . 1 1 12 12 SER CA C 12 56.396 56.396 56.949 -0.553 17803
629 1 9 . 1 1 12 12 SER CB C 12 65.643 65.643 64.748 0.895 17803
630 1 9 . 1 1 12 12 SER H H 12 8.551 8.551 8.661 -0.110 17803
631 1 9 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.882 0.056 17803
632 1 9 . 1 1 13 13 LEU CA C 13 58.536 58.536 58.379 0.157 17803
633 1 9 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.175 0.188 17803
634 1 9 . 1 1 13 13 LEU H H 13 8.596 8.596 8.624 -0.028 17803
635 1 9 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.581 -0.465 17803
636 1 9 . 1 1 14 14 TYR CA C 14 60.260 60.260 58.232 2.028 17803
637 1 9 . 1 1 14 14 TYR CB C 14 37.840 37.840 36.683 1.157 17803
638 1 9 . 1 1 14 14 TYR H H 14 7.477 7.477 8.040 -0.563 17803
639 1 9 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.063 -0.126 17803
640 1 9 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.414 0.847 17803
641 1 9 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.907 -0.787 17803
642 1 9 . 1 1 15 15 GLN H H 15 7.521 7.521 7.833 -0.312 17803
643 1 9 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.955 0.147 17803
644 1 9 . 1 1 16 16 LEU CA C 16 58.194 58.194 56.911 1.283 17803
645 1 9 . 1 1 16 16 LEU CB C 16 42.033 42.033 40.782 1.251 17803
646 1 9 . 1 1 16 16 LEU H H 16 7.979 7.979 7.671 0.308 17803
647 1 9 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.997 0.072 17803
648 1 9 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.702 -0.848 17803
649 1 9 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.311 -1.637 17803
650 1 9 . 1 1 17 17 GLU H H 17 8.067 8.067 8.071 -0.004 17803
651 1 9 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.647 -0.257 17803
652 1 9 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.396 -0.441 17803
653 1 9 . 1 1 18 18 ASN CB C 18 38.497 38.497 39.329 -0.832 17803
654 1 9 . 1 1 18 18 ASN H H 18 7.474 7.474 7.567 -0.094 17803
655 1 9 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.464 -0.085 17803
656 1 9 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.955 0.512 17803
657 1 9 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.047 1.039 17803
658 1 9 . 1 1 19 19 TYR H H 19 7.853 7.853 7.254 0.599 17803
659 1 9 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.572 -0.010 17803
660 1 9 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.890 -4.367 17803
661 1 9 . 1 1 20 20 CYS CB C 20 36.967 36.967 28.170 8.797 17803
662 1 9 . 1 1 20 20 CYS H H 20 7.535 7.535 8.153 -0.618 17803
663 1 9 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.923 -0.210 17803
664 1 9 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.180 -0.093 17803
665 1 9 . 1 1 21 21 ASN CB C 21 38.930 38.930 40.132 -1.202 17803
666 1 9 . 1 1 21 21 ASN H H 21 7.968 7.968 8.105 -0.137 17803
667 1 10 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.136 -0.213 17803
668 1 10 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.339 0.326 17803
669 1 10 . 1 1 2 2 ILE H H 2 8.376 8.376 8.401 -0.025 17803
670 1 10 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.780 -0.131 17803
671 1 10 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.079 0.616 17803
672 1 10 . 1 1 3 3 VAL H H 3 7.917 7.917 7.966 -0.049 17803
673 1 10 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.202 -0.008 17803
674 1 10 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.032 -0.110 17803
675 1 10 . 1 1 4 4 GLU H H 4 7.994 7.994 8.781 -0.787 17803
676 1 10 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.327 -0.325 17803
677 1 10 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.358 1.276 17803
678 1 10 . 1 1 5 5 GLN CB C 5 29.215 29.215 29.565 -0.350 17803
679 1 10 . 1 1 5 5 GLN H H 5 8.210 8.210 7.678 0.532 17803
680 1 10 . 1 1 6 6 CYS HA H 6 4.811 4.811 5.019 -0.208 17803
681 1 10 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.652 -5.104 17803
682 1 10 . 1 1 6 6 CYS H H 6 8.138 8.138 7.818 0.320 17803
683 1 10 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.441 0.321 17803
684 1 10 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.384 -4.273 17803
685 1 10 . 1 1 7 7 CYS H H 7 8.228 8.228 8.787 -0.559 17803
686 1 10 . 1 1 8 8 THR HA H 8 4.038 4.038 4.245 -0.207 17803
687 1 10 . 1 1 8 8 THR CA C 8 64.343 64.343 63.602 0.741 17803
688 1 10 . 1 1 8 8 THR CB C 8 68.548 68.548 69.125 -0.577 17803
689 1 10 . 1 1 8 8 THR H H 8 8.010 8.010 8.111 -0.101 17803
690 1 10 . 1 1 9 9 SER HA H 9 4.668 4.668 4.742 -0.074 17803
691 1 10 . 1 1 9 9 SER CA C 9 56.043 56.043 56.733 -0.690 17803
692 1 10 . 1 1 9 9 SER CB C 9 63.877 63.877 64.598 -0.721 17803
693 1 10 . 1 1 9 9 SER H H 9 7.417 7.417 7.518 -0.101 17803
694 1 10 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.111 0.266 17803
695 1 10 . 1 1 10 10 ILE CA C 10 59.861 59.861 62.057 -2.196 17803
696 1 10 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.119 1.300 17803
697 1 10 . 1 1 10 10 ILE H H 10 7.756 7.756 8.250 -0.494 17803
698 1 10 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.228 -0.243 17803
699 1 10 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.941 -5.024 17803
700 1 10 . 1 1 11 11 CYS H H 11 9.351 9.351 8.621 0.730 17803
701 1 10 . 1 1 12 12 SER HA H 12 4.553 4.553 4.820 -0.267 17803
702 1 10 . 1 1 12 12 SER CA C 12 56.396 56.396 57.029 -0.633 17803
703 1 10 . 1 1 12 12 SER CB C 12 65.643 65.643 65.197 0.446 17803
704 1 10 . 1 1 12 12 SER H H 12 8.551 8.551 8.794 -0.243 17803
705 1 10 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.852 0.086 17803
706 1 10 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.601 0.935 17803
707 1 10 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.168 0.196 17803
708 1 10 . 1 1 13 13 LEU H H 13 8.596 8.596 8.782 -0.186 17803
709 1 10 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.522 -0.406 17803
710 1 10 . 1 1 14 14 TYR CA C 14 60.260 60.260 59.546 0.714 17803
711 1 10 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.368 0.472 17803
712 1 10 . 1 1 14 14 TYR H H 14 7.477 7.477 7.633 -0.156 17803
713 1 10 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.204 -0.267 17803
714 1 10 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.010 0.251 17803
715 1 10 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.209 -0.090 17803
716 1 10 . 1 1 15 15 GLN H H 15 7.521 7.521 8.141 -0.620 17803
717 1 10 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.370 -0.268 17803
718 1 10 . 1 1 16 16 LEU CA C 16 58.194 58.194 56.751 1.443 17803
719 1 10 . 1 1 16 16 LEU CB C 16 42.033 42.033 40.703 1.331 17803
720 1 10 . 1 1 16 16 LEU H H 16 7.979 7.979 7.548 0.431 17803
721 1 10 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.997 0.072 17803
722 1 10 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.793 -0.939 17803
723 1 10 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.055 -1.381 17803
724 1 10 . 1 1 17 17 GLU H H 17 8.067 8.067 7.803 0.264 17803
725 1 10 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.381 0.009 17803
726 1 10 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.349 -0.394 17803
727 1 10 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.181 0.316 17803
728 1 10 . 1 1 18 18 ASN H H 18 7.474 7.474 7.560 -0.086 17803
729 1 10 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.561 -0.182 17803
730 1 10 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.214 0.253 17803
731 1 10 . 1 1 19 19 TYR CB C 19 38.086 38.086 38.000 0.086 17803
732 1 10 . 1 1 19 19 TYR H H 19 7.853 7.853 7.386 0.467 17803
733 1 10 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.435 0.127 17803
734 1 10 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.709 -5.186 17803
735 1 10 . 1 1 20 20 CYS CB C 20 36.967 36.967 25.275 11.692 17803
736 1 10 . 1 1 20 20 CYS H H 20 7.535 7.535 8.034 -0.499 17803
737 1 10 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.877 -0.164 17803
738 1 10 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.357 -0.270 17803
739 1 10 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.212 -0.282 17803
740 1 10 . 1 1 21 21 ASN H H 21 7.968 7.968 8.371 -0.403 17803
741 1 11 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.095 -0.172 17803
742 1 11 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.462 1.203 17803
743 1 11 . 1 1 2 2 ILE H H 2 8.376 8.376 8.466 -0.090 17803
744 1 11 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.638 0.011 17803
745 1 11 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.473 0.222 17803
746 1 11 . 1 1 3 3 VAL H H 3 7.917 7.917 7.845 0.072 17803
747 1 11 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.046 0.148 17803
748 1 11 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.200 -0.278 17803
749 1 11 . 1 1 4 4 GLU H H 4 7.994 7.994 8.865 -0.871 17803
750 1 11 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.250 -0.248 17803
751 1 11 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.890 0.744 17803
752 1 11 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.814 0.401 17803
753 1 11 . 1 1 5 5 GLN H H 5 8.210 8.210 8.196 0.014 17803
754 1 11 . 1 1 6 6 CYS HA H 6 4.811 4.811 5.067 -0.256 17803
755 1 11 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.804 -4.256 17803
756 1 11 . 1 1 6 6 CYS H H 6 8.138 8.138 7.672 0.466 17803
757 1 11 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.538 0.224 17803
758 1 11 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.073 -3.962 17803
759 1 11 . 1 1 7 7 CYS H H 7 8.228 8.228 8.593 -0.365 17803
760 1 11 . 1 1 8 8 THR HA H 8 4.038 4.038 4.211 -0.173 17803
761 1 11 . 1 1 8 8 THR CA C 8 64.343 64.343 63.992 0.351 17803
762 1 11 . 1 1 8 8 THR CB C 8 68.548 68.548 69.210 -0.662 17803
763 1 11 . 1 1 8 8 THR H H 8 8.010 8.010 8.247 -0.237 17803
764 1 11 . 1 1 9 9 SER HA H 9 4.668 4.668 4.733 -0.065 17803
765 1 11 . 1 1 9 9 SER CA C 9 56.043 56.043 56.755 -0.712 17803
766 1 11 . 1 1 9 9 SER CB C 9 63.877 63.877 65.035 -1.158 17803
767 1 11 . 1 1 9 9 SER H H 9 7.417 7.417 7.570 -0.153 17803
768 1 11 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.147 0.230 17803
769 1 11 . 1 1 10 10 ILE CA C 10 59.861 59.861 62.300 -2.439 17803
770 1 11 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.055 1.364 17803
771 1 11 . 1 1 10 10 ILE H H 10 7.756 7.756 8.160 -0.404 17803
772 1 11 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.825 0.160 17803
773 1 11 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.303 -3.386 17803
774 1 11 . 1 1 11 11 CYS H H 11 9.351 9.351 8.269 1.082 17803
775 1 11 . 1 1 12 12 SER HA H 12 4.553 4.553 4.715 -0.162 17803
776 1 11 . 1 1 12 12 SER CA C 12 56.396 56.396 56.807 -0.411 17803
777 1 11 . 1 1 12 12 SER CB C 12 65.643 65.643 64.531 1.113 17803
778 1 11 . 1 1 12 12 SER H H 12 8.551 8.551 8.613 -0.062 17803
779 1 11 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.044 -0.106 17803
780 1 11 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.439 1.097 17803
781 1 11 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.753 -0.389 17803
782 1 11 . 1 1 13 13 LEU H H 13 8.596 8.596 8.783 -0.187 17803
783 1 11 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.169 -0.053 17803
784 1 11 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.554 -0.294 17803
785 1 11 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.419 -0.579 17803
786 1 11 . 1 1 14 14 TYR H H 14 7.477 7.477 7.886 -0.409 17803
787 1 11 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.752 0.185 17803
788 1 11 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.356 -0.095 17803
789 1 11 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.661 0.458 17803
790 1 11 . 1 1 15 15 GLN H H 15 7.521 7.521 7.376 0.145 17803
791 1 11 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.629 0.473 17803
792 1 11 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.368 0.826 17803
793 1 11 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.608 0.425 17803
794 1 11 . 1 1 16 16 LEU H H 16 7.979 7.979 7.432 0.547 17803
795 1 11 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.067 0.002 17803
796 1 11 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.195 -0.341 17803
797 1 11 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.479 -1.805 17803
798 1 11 . 1 1 17 17 GLU H H 17 8.067 8.067 8.165 -0.098 17803
799 1 11 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.539 -0.149 17803
800 1 11 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.735 0.220 17803
801 1 11 . 1 1 18 18 ASN CB C 18 38.497 38.497 39.502 -1.005 17803
802 1 11 . 1 1 18 18 ASN H H 18 7.474 7.474 7.545 -0.071 17803
803 1 11 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.434 -0.055 17803
804 1 11 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.585 1.882 17803
805 1 11 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.987 0.098 17803
806 1 11 . 1 1 19 19 TYR H H 19 7.853 7.853 7.827 0.026 17803
807 1 11 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.481 0.081 17803
808 1 11 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.007 -3.484 17803
809 1 11 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.936 9.031 17803
810 1 11 . 1 1 20 20 CYS H H 20 7.535 7.535 7.651 -0.116 17803
811 1 11 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.513 0.200 17803
812 1 11 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.081 0.006 17803
813 1 11 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.045 0.885 17803
814 1 11 . 1 1 21 21 ASN H H 21 7.968 7.968 8.748 -0.780 17803
815 1 12 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.510 0.413 17803
816 1 12 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.794 -0.129 17803
817 1 12 . 1 1 2 2 ILE H H 2 8.376 8.376 8.160 0.216 17803
818 1 12 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.678 -0.029 17803
819 1 12 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.166 0.529 17803
820 1 12 . 1 1 3 3 VAL H H 3 7.917 7.917 7.773 0.144 17803
821 1 12 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.142 0.052 17803
822 1 12 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.002 -1.080 17803
823 1 12 . 1 1 4 4 GLU H H 4 7.994 7.994 8.620 -0.626 17803
824 1 12 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.209 -0.207 17803
825 1 12 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.358 0.276 17803
826 1 12 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.891 0.324 17803
827 1 12 . 1 1 5 5 GLN H H 5 8.210 8.210 7.890 0.320 17803
828 1 12 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.852 -0.041 17803
829 1 12 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.664 -4.116 17803
830 1 12 . 1 1 6 6 CYS H H 6 8.138 8.138 7.639 0.499 17803
831 1 12 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.449 0.313 17803
832 1 12 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.107 -3.996 17803
833 1 12 . 1 1 7 7 CYS H H 7 8.228 8.228 8.886 -0.658 17803
834 1 12 . 1 1 8 8 THR HA H 8 4.038 4.038 4.380 -0.342 17803
835 1 12 . 1 1 8 8 THR CA C 8 64.343 64.343 63.459 0.885 17803
836 1 12 . 1 1 8 8 THR CB C 8 68.548 68.548 68.978 -0.430 17803
837 1 12 . 1 1 8 8 THR H H 8 8.010 8.010 8.030 -0.020 17803
838 1 12 . 1 1 9 9 SER HA H 9 4.668 4.668 4.791 -0.123 17803
839 1 12 . 1 1 9 9 SER CA C 9 56.043 56.043 56.752 -0.709 17803
840 1 12 . 1 1 9 9 SER CB C 9 63.877 63.877 64.753 -0.876 17803
841 1 12 . 1 1 9 9 SER H H 9 7.417 7.417 7.529 -0.112 17803
842 1 12 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.270 0.107 17803
843 1 12 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.210 -1.349 17803
844 1 12 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.818 0.601 17803
845 1 12 . 1 1 10 10 ILE H H 10 7.756 7.756 8.231 -0.475 17803
846 1 12 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.837 0.148 17803
847 1 12 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.184 -4.267 17803
848 1 12 . 1 1 11 11 CYS H H 11 9.351 9.351 8.273 1.078 17803
849 1 12 . 1 1 12 12 SER HA H 12 4.553 4.553 4.845 -0.292 17803
850 1 12 . 1 1 12 12 SER CA C 12 56.396 56.396 56.609 -0.213 17803
851 1 12 . 1 1 12 12 SER CB C 12 65.643 65.643 64.431 1.212 17803
852 1 12 . 1 1 12 12 SER H H 12 8.551 8.551 8.277 0.274 17803
853 1 12 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.021 -0.083 17803
854 1 12 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.814 0.722 17803
855 1 12 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.846 -0.482 17803
856 1 12 . 1 1 13 13 LEU H H 13 8.596 8.596 8.901 -0.305 17803
857 1 12 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.009 0.107 17803
858 1 12 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.264 -1.004 17803
859 1 12 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.467 -0.627 17803
860 1 12 . 1 1 14 14 TYR H H 14 7.477 7.477 7.829 -0.352 17803
861 1 12 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.908 0.029 17803
862 1 12 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.430 0.831 17803
863 1 12 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.200 0.919 17803
864 1 12 . 1 1 15 15 GLN H H 15 7.521 7.521 7.568 -0.047 17803
865 1 12 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.685 0.417 17803
866 1 12 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.493 0.701 17803
867 1 12 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.794 0.239 17803
868 1 12 . 1 1 16 16 LEU H H 16 7.979 7.979 8.272 -0.293 17803
869 1 12 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.966 0.103 17803
870 1 12 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.691 -0.837 17803
871 1 12 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.359 -1.685 17803
872 1 12 . 1 1 17 17 GLU H H 17 8.067 8.067 8.144 -0.077 17803
873 1 12 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.344 0.046 17803
874 1 12 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.810 0.145 17803
875 1 12 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.004 0.493 17803
876 1 12 . 1 1 18 18 ASN H H 18 7.474 7.474 7.288 0.186 17803
877 1 12 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.460 -0.081 17803
878 1 12 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.380 2.087 17803
879 1 12 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.912 0.174 17803
880 1 12 . 1 1 19 19 TYR H H 19 7.853 7.853 7.085 0.768 17803
881 1 12 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.433 0.129 17803
882 1 12 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.615 -4.092 17803
883 1 12 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.715 9.252 17803
884 1 12 . 1 1 20 20 CYS H H 20 7.535 7.535 7.637 -0.102 17803
885 1 12 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.638 0.075 17803
886 1 12 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.424 -0.337 17803
887 1 12 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.857 0.073 17803
888 1 12 . 1 1 21 21 ASN H H 21 7.968 7.968 8.450 -0.482 17803
889 1 13 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.597 0.326 17803
890 1 13 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.469 0.196 17803
891 1 13 . 1 1 2 2 ILE H H 2 8.376 8.376 8.131 0.245 17803
892 1 13 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.693 -0.044 17803
893 1 13 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.804 0.891 17803
894 1 13 . 1 1 3 3 VAL H H 3 7.917 7.917 8.089 -0.172 17803
895 1 13 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.205 -0.011 17803
896 1 13 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.479 -0.557 17803
897 1 13 . 1 1 4 4 GLU H H 4 7.994 7.994 8.715 -0.721 17803
898 1 13 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.472 -0.470 17803
899 1 13 . 1 1 5 5 GLN CA C 5 58.634 58.634 56.949 1.685 17803
900 1 13 . 1 1 5 5 GLN CB C 5 29.215 29.215 30.703 -1.488 17803
901 1 13 . 1 1 5 5 GLN H H 5 8.210 8.210 7.821 0.389 17803
902 1 13 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.936 -0.125 17803
903 1 13 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.150 -5.602 17803
904 1 13 . 1 1 6 6 CYS H H 6 8.138 8.138 8.338 -0.200 17803
905 1 13 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.544 0.218 17803
906 1 13 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.948 -3.837 17803
907 1 13 . 1 1 7 7 CYS H H 7 8.228 8.228 8.648 -0.420 17803
908 1 13 . 1 1 8 8 THR HA H 8 4.038 4.038 4.175 -0.137 17803
909 1 13 . 1 1 8 8 THR CA C 8 64.343 64.343 64.327 0.016 17803
910 1 13 . 1 1 8 8 THR CB C 8 68.548 68.548 69.030 -0.482 17803
911 1 13 . 1 1 8 8 THR H H 8 8.010 8.010 7.900 0.110 17803
912 1 13 . 1 1 9 9 SER HA H 9 4.668 4.668 4.677 -0.009 17803
913 1 13 . 1 1 9 9 SER CA C 9 56.043 56.043 56.649 -0.606 17803
914 1 13 . 1 1 9 9 SER CB C 9 63.877 63.877 64.936 -1.059 17803
915 1 13 . 1 1 9 9 SER H H 9 7.417 7.417 7.427 -0.010 17803
916 1 13 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.171 0.206 17803
917 1 13 . 1 1 10 10 ILE CA C 10 59.861 59.861 62.172 -2.311 17803
918 1 13 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.322 1.097 17803
919 1 13 . 1 1 10 10 ILE H H 10 7.756 7.756 8.189 -0.433 17803
920 1 13 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.148 -0.163 17803
921 1 13 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.476 -3.559 17803
922 1 13 . 1 1 11 11 CYS H H 11 9.351 9.351 8.323 1.028 17803
923 1 13 . 1 1 12 12 SER HA H 12 4.553 4.553 4.893 -0.340 17803
924 1 13 . 1 1 12 12 SER CA C 12 56.396 56.396 56.216 0.180 17803
925 1 13 . 1 1 12 12 SER CB C 12 65.643 65.643 64.749 0.894 17803
926 1 13 . 1 1 12 12 SER H H 12 8.551 8.551 8.893 -0.342 17803
927 1 13 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.959 -0.021 17803
928 1 13 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.309 1.226 17803
929 1 13 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.380 -0.016 17803
930 1 13 . 1 1 13 13 LEU H H 13 8.596 8.596 8.743 -0.147 17803
931 1 13 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.622 -0.506 17803
932 1 13 . 1 1 14 14 TYR CA C 14 60.260 60.260 59.607 0.653 17803
933 1 13 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.711 0.130 17803
934 1 13 . 1 1 14 14 TYR H H 14 7.477 7.477 7.464 0.013 17803
935 1 13 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.288 -0.351 17803
936 1 13 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.944 0.317 17803
937 1 13 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.447 -0.328 17803
938 1 13 . 1 1 15 15 GLN H H 15 7.521 7.521 7.926 -0.405 17803
939 1 13 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.279 -0.177 17803
940 1 13 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.766 0.428 17803
941 1 13 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.480 0.553 17803
942 1 13 . 1 1 16 16 LEU H H 16 7.979 7.979 7.860 0.119 17803
943 1 13 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.997 0.072 17803
944 1 13 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.830 -0.976 17803
945 1 13 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.086 -1.412 17803
946 1 13 . 1 1 17 17 GLU H H 17 8.067 8.067 7.943 0.124 17803
947 1 13 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.356 0.034 17803
948 1 13 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.592 0.363 17803
949 1 13 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.207 0.290 17803
950 1 13 . 1 1 18 18 ASN H H 18 7.474 7.474 7.840 -0.366 17803
951 1 13 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.665 -0.286 17803
952 1 13 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.866 0.601 17803
953 1 13 . 1 1 19 19 TYR CB C 19 38.086 38.086 38.843 -0.757 17803
954 1 13 . 1 1 19 19 TYR H H 19 7.853 7.853 7.559 0.294 17803
955 1 13 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.611 -0.049 17803
956 1 13 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.190 -4.667 17803
957 1 13 . 1 1 20 20 CYS CB C 20 36.967 36.967 28.006 8.961 17803
958 1 13 . 1 1 20 20 CYS H H 20 7.535 7.535 8.405 -0.870 17803
959 1 13 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.840 -0.127 17803
960 1 13 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.222 -0.135 17803
961 1 13 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.603 -0.673 17803
962 1 13 . 1 1 21 21 ASN H H 21 7.968 7.968 8.234 -0.266 17803
963 1 14 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.080 -0.157 17803
964 1 14 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.587 1.078 17803
965 1 14 . 1 1 2 2 ILE H H 2 8.376 8.376 8.781 -0.405 17803
966 1 14 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.701 -0.052 17803
967 1 14 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.256 0.439 17803
968 1 14 . 1 1 3 3 VAL H H 3 7.917 7.917 7.937 -0.020 17803
969 1 14 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.050 0.144 17803
970 1 14 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.249 -0.327 17803
971 1 14 . 1 1 4 4 GLU H H 4 7.994 7.994 8.906 -0.912 17803
972 1 14 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.402 -0.400 17803
973 1 14 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.039 1.595 17803
974 1 14 . 1 1 5 5 GLN CB C 5 29.215 29.215 29.286 -0.071 17803
975 1 14 . 1 1 5 5 GLN H H 5 8.210 8.210 7.669 0.541 17803
976 1 14 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.963 -0.152 17803
977 1 14 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.774 -4.226 17803
978 1 14 . 1 1 6 6 CYS H H 6 8.138 8.138 7.671 0.467 17803
979 1 14 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.504 0.258 17803
980 1 14 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.479 -4.368 17803
981 1 14 . 1 1 7 7 CYS H H 7 8.228 8.228 8.816 -0.588 17803
982 1 14 . 1 1 8 8 THR HA H 8 4.038 4.038 4.396 -0.358 17803
983 1 14 . 1 1 8 8 THR CA C 8 64.343 64.343 62.909 1.434 17803
984 1 14 . 1 1 8 8 THR CB C 8 68.548 68.548 69.259 -0.711 17803
985 1 14 . 1 1 8 8 THR H H 8 8.010 8.010 8.220 -0.210 17803
986 1 14 . 1 1 9 9 SER HA H 9 4.668 4.668 4.507 0.161 17803
987 1 14 . 1 1 9 9 SER CA C 9 56.043 56.043 58.137 -2.094 17803
988 1 14 . 1 1 9 9 SER CB C 9 63.877 63.877 64.316 -0.439 17803
989 1 14 . 1 1 9 9 SER H H 9 7.417 7.417 8.183 -0.766 17803
990 1 14 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.109 0.268 17803
991 1 14 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.789 -1.928 17803
992 1 14 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.681 0.738 17803
993 1 14 . 1 1 10 10 ILE H H 10 7.756 7.756 8.056 -0.300 17803
994 1 14 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.865 0.120 17803
995 1 14 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.100 -5.183 17803
996 1 14 . 1 1 11 11 CYS H H 11 9.351 9.351 8.455 0.896 17803
997 1 14 . 1 1 12 12 SER HA H 12 4.553 4.553 4.941 -0.388 17803
998 1 14 . 1 1 12 12 SER CA C 12 56.396 56.396 56.646 -0.250 17803
999 1 14 . 1 1 12 12 SER CB C 12 65.643 65.643 64.686 0.957 17803
1000 1 14 . 1 1 12 12 SER H H 12 8.551 8.551 8.846 -0.295 17803
1001 1 14 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.135 -0.197 17803
1002 1 14 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.745 0.791 17803
1003 1 14 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.417 -0.053 17803
1004 1 14 . 1 1 13 13 LEU H H 13 8.596 8.596 8.800 -0.204 17803
1005 1 14 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.071 0.045 17803
1006 1 14 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.061 -0.801 17803
1007 1 14 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.538 -0.698 17803
1008 1 14 . 1 1 14 14 TYR H H 14 7.477 7.477 7.838 -0.361 17803
1009 1 14 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.866 0.071 17803
1010 1 14 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.958 0.304 17803
1011 1 14 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.113 0.006 17803
1012 1 14 . 1 1 15 15 GLN H H 15 7.521 7.521 7.553 -0.032 17803
1013 1 14 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.845 0.257 17803
1014 1 14 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.871 0.323 17803
1015 1 14 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.891 0.142 17803
1016 1 14 . 1 1 16 16 LEU H H 16 7.979 7.979 8.432 -0.453 17803
1017 1 14 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.952 0.117 17803
1018 1 14 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.505 -0.651 17803
1019 1 14 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.496 -1.822 17803
1020 1 14 . 1 1 17 17 GLU H H 17 8.067 8.067 7.989 0.078 17803
1021 1 14 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.411 -0.021 17803
1022 1 14 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.172 -0.217 17803
1023 1 14 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.269 0.228 17803
1024 1 14 . 1 1 18 18 ASN H H 18 7.474 7.474 7.309 0.165 17803
1025 1 14 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.411 -0.032 17803
1026 1 14 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.350 1.117 17803
1027 1 14 . 1 1 19 19 TYR CB C 19 38.086 38.086 36.928 1.158 17803
1028 1 14 . 1 1 19 19 TYR H H 19 7.853 7.853 7.196 0.657 17803
1029 1 14 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.301 0.261 17803
1030 1 14 . 1 1 20 20 CYS CA C 20 54.523 54.523 60.709 -6.186 17803
1031 1 14 . 1 1 20 20 CYS CB C 20 36.967 36.967 25.814 11.152 17803
1032 1 14 . 1 1 20 20 CYS H H 20 7.535 7.535 7.967 -0.432 17803
1033 1 14 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.790 -0.077 17803
1034 1 14 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.900 0.187 17803
1035 1 14 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.847 0.083 17803
1036 1 14 . 1 1 21 21 ASN H H 21 7.968 7.968 7.771 0.197 17803
1037 1 15 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.455 0.468 17803
1038 1 15 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.914 -1.249 17803
1039 1 15 . 1 1 2 2 ILE H H 2 8.376 8.376 8.188 0.188 17803
1040 1 15 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.602 0.047 17803
1041 1 15 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.521 1.174 17803
1042 1 15 . 1 1 3 3 VAL H H 3 7.917 7.917 8.068 -0.151 17803
1043 1 15 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.989 0.205 17803
1044 1 15 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.099 -1.177 17803
1045 1 15 . 1 1 4 4 GLU H H 4 7.994 7.994 8.425 -0.431 17803
1046 1 15 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.151 -0.149 17803
1047 1 15 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.589 0.045 17803
1048 1 15 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.530 0.685 17803
1049 1 15 . 1 1 5 5 GLN H H 5 8.210 8.210 8.050 0.160 17803
1050 1 15 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.696 0.115 17803
1051 1 15 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.160 -5.612 17803
1052 1 15 . 1 1 6 6 CYS H H 6 8.138 8.138 7.890 0.248 17803
1053 1 15 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.428 0.334 17803
1054 1 15 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.855 -3.744 17803
1055 1 15 . 1 1 7 7 CYS H H 7 8.228 8.228 8.777 -0.549 17803
1056 1 15 . 1 1 8 8 THR HA H 8 4.038 4.038 4.448 -0.410 17803
1057 1 15 . 1 1 8 8 THR CA C 8 64.343 64.343 62.881 1.462 17803
1058 1 15 . 1 1 8 8 THR CB C 8 68.548 68.548 69.772 -1.224 17803
1059 1 15 . 1 1 8 8 THR H H 8 8.010 8.010 7.906 0.104 17803
1060 1 15 . 1 1 9 9 SER HA H 9 4.668 4.668 4.686 -0.018 17803
1061 1 15 . 1 1 9 9 SER CA C 9 56.043 56.043 58.083 -2.040 17803
1062 1 15 . 1 1 9 9 SER CB C 9 63.877 63.877 64.497 -0.620 17803
1063 1 15 . 1 1 9 9 SER H H 9 7.417 7.417 7.874 -0.457 17803
1064 1 15 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.321 0.056 17803
1065 1 15 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.312 -0.451 17803
1066 1 15 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.891 0.528 17803
1067 1 15 . 1 1 10 10 ILE H H 10 7.756 7.756 8.055 -0.299 17803
1068 1 15 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.212 -0.227 17803
1069 1 15 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.221 -3.304 17803
1070 1 15 . 1 1 11 11 CYS H H 11 9.351 9.351 8.256 1.095 17803
1071 1 15 . 1 1 12 12 SER HA H 12 4.553 4.553 4.889 -0.336 17803
1072 1 15 . 1 1 12 12 SER CA C 12 56.396 56.396 56.135 0.261 17803
1073 1 15 . 1 1 12 12 SER CB C 12 65.643 65.643 64.530 1.113 17803
1074 1 15 . 1 1 12 12 SER H H 12 8.551 8.551 8.636 -0.085 17803
1075 1 15 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.019 -0.081 17803
1076 1 15 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.662 0.874 17803
1077 1 15 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.583 -0.219 17803
1078 1 15 . 1 1 13 13 LEU H H 13 8.596 8.596 8.804 -0.208 17803
1079 1 15 . 1 1 14 14 TYR HA H 14 4.116 4.116 3.970 0.146 17803
1080 1 15 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.986 -1.726 17803
1081 1 15 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.291 -0.451 17803
1082 1 15 . 1 1 14 14 TYR H H 14 7.477 7.477 7.914 -0.437 17803
1083 1 15 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.685 0.252 17803
1084 1 15 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.469 -0.208 17803
1085 1 15 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.526 0.592 17803
1086 1 15 . 1 1 15 15 GLN H H 15 7.521 7.521 7.397 0.124 17803
1087 1 15 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.560 0.542 17803
1088 1 15 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.835 0.359 17803
1089 1 15 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.747 0.286 17803
1090 1 15 . 1 1 16 16 LEU H H 16 7.979 7.979 8.138 -0.159 17803
1091 1 15 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.946 0.123 17803
1092 1 15 . 1 1 17 17 GLU CA C 17 57.854 57.854 59.037 -1.183 17803
1093 1 15 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.494 -1.820 17803
1094 1 15 . 1 1 17 17 GLU H H 17 8.067 8.067 8.214 -0.147 17803
1095 1 15 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.369 0.021 17803
1096 1 15 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.199 -0.244 17803
1097 1 15 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.511 -0.014 17803
1098 1 15 . 1 1 18 18 ASN H H 18 7.474 7.474 7.482 -0.008 17803
1099 1 15 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.450 -0.071 17803
1100 1 15 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.150 2.317 17803
1101 1 15 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.712 0.374 17803
1102 1 15 . 1 1 19 19 TYR H H 19 7.853 7.853 7.313 0.540 17803
1103 1 15 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.454 0.108 17803
1104 1 15 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.143 -4.620 17803
1105 1 15 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.499 9.468 17803
1106 1 15 . 1 1 20 20 CYS H H 20 7.535 7.535 7.736 -0.201 17803
1107 1 15 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.831 -0.118 17803
1108 1 15 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.502 0.585 17803
1109 1 15 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.345 1.585 17803
1110 1 15 . 1 1 21 21 ASN H H 21 7.968 7.968 8.744 -0.776 17803
1111 1 16 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.868 0.055 17803
1112 1 16 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.097 1.567 17803
1113 1 16 . 1 1 2 2 ILE H H 2 8.376 8.376 8.304 0.072 17803
1114 1 16 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.693 -0.044 17803
1115 1 16 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.712 0.983 17803
1116 1 16 . 1 1 3 3 VAL H H 3 7.917 7.917 8.054 -0.137 17803
1117 1 16 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.085 0.109 17803
1118 1 16 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.132 -0.210 17803
1119 1 16 . 1 1 4 4 GLU H H 4 7.994 7.994 8.576 -0.582 17803
1120 1 16 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.207 -0.205 17803
1121 1 16 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.234 0.400 17803
1122 1 16 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.372 0.843 17803
1123 1 16 . 1 1 5 5 GLN H H 5 8.210 8.210 8.709 -0.499 17803
1124 1 16 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.627 0.184 17803
1125 1 16 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.243 -4.695 17803
1126 1 16 . 1 1 6 6 CYS H H 6 8.138 8.138 7.614 0.524 17803
1127 1 16 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.669 0.093 17803
1128 1 16 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.522 -3.411 17803
1129 1 16 . 1 1 7 7 CYS H H 7 8.228 8.228 8.572 -0.344 17803
1130 1 16 . 1 1 8 8 THR HA H 8 4.038 4.038 4.456 -0.418 17803
1131 1 16 . 1 1 8 8 THR CA C 8 64.343 64.343 62.683 1.660 17803
1132 1 16 . 1 1 8 8 THR CB C 8 68.548 68.548 69.819 -1.270 17803
1133 1 16 . 1 1 8 8 THR H H 8 8.010 8.010 7.943 0.067 17803
1134 1 16 . 1 1 9 9 SER HA H 9 4.668 4.668 4.600 0.068 17803
1135 1 16 . 1 1 9 9 SER CA C 9 56.043 56.043 58.715 -2.672 17803
1136 1 16 . 1 1 9 9 SER CB C 9 63.877 63.877 64.232 -0.355 17803
1137 1 16 . 1 1 9 9 SER H H 9 7.417 7.417 7.839 -0.422 17803
1138 1 16 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.151 0.226 17803
1139 1 16 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.079 -1.218 17803
1140 1 16 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.271 1.148 17803
1141 1 16 . 1 1 10 10 ILE H H 10 7.756 7.756 8.002 -0.246 17803
1142 1 16 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.781 0.204 17803
1143 1 16 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.367 -5.450 17803
1144 1 16 . 1 1 11 11 CYS H H 11 9.351 9.351 8.530 0.821 17803
1145 1 16 . 1 1 12 12 SER HA H 12 4.553 4.553 4.756 -0.203 17803
1146 1 16 . 1 1 12 12 SER CA C 12 56.396 56.396 56.783 -0.387 17803
1147 1 16 . 1 1 12 12 SER CB C 12 65.643 65.643 65.476 0.167 17803
1148 1 16 . 1 1 12 12 SER H H 12 8.551 8.551 8.153 0.398 17803
1149 1 16 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.020 -0.082 17803
1150 1 16 . 1 1 13 13 LEU CA C 13 58.536 58.536 58.030 0.506 17803
1151 1 16 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.368 -0.004 17803
1152 1 16 . 1 1 13 13 LEU H H 13 8.596 8.596 8.750 -0.154 17803
1153 1 16 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.027 0.089 17803
1154 1 16 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.255 -0.995 17803
1155 1 16 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.098 -0.258 17803
1156 1 16 . 1 1 14 14 TYR H H 14 7.477 7.477 8.480 -1.003 17803
1157 1 16 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.695 0.242 17803
1158 1 16 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.508 -0.246 17803
1159 1 16 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.672 0.447 17803
1160 1 16 . 1 1 15 15 GLN H H 15 7.521 7.521 7.477 0.044 17803
1161 1 16 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.541 0.561 17803
1162 1 16 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.908 0.286 17803
1163 1 16 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.678 0.355 17803
1164 1 16 . 1 1 16 16 LEU H H 16 7.979 7.979 8.306 -0.327 17803
1165 1 16 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.907 0.162 17803
1166 1 16 . 1 1 17 17 GLU CA C 17 57.854 57.854 59.394 -1.540 17803
1167 1 16 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.439 -1.765 17803
1168 1 16 . 1 1 17 17 GLU H H 17 8.067 8.067 8.180 -0.113 17803
1169 1 16 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.337 0.053 17803
1170 1 16 . 1 1 18 18 ASN CA C 18 54.955 54.955 56.255 -1.300 17803
1171 1 16 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.329 0.168 17803
1172 1 16 . 1 1 18 18 ASN H H 18 7.474 7.474 7.539 -0.065 17803
1173 1 16 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.376 0.003 17803
1174 1 16 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.938 -0.471 17803
1175 1 16 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.372 0.714 17803
1176 1 16 . 1 1 19 19 TYR H H 19 7.853 7.853 8.118 -0.265 17803
1177 1 16 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.357 0.205 17803
1178 1 16 . 1 1 20 20 CYS CA C 20 54.523 54.523 60.117 -5.594 17803
1179 1 16 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.483 9.483 17803
1180 1 16 . 1 1 20 20 CYS H H 20 7.535 7.535 8.009 -0.474 17803
1181 1 16 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.701 0.012 17803
1182 1 16 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.725 -0.638 17803
1183 1 16 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.972 -0.042 17803
1184 1 16 . 1 1 21 21 ASN H H 21 7.968 7.968 8.368 -0.400 17803
1185 1 17 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.138 -0.215 17803
1186 1 17 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.166 1.500 17803
1187 1 17 . 1 1 2 2 ILE H H 2 8.376 8.376 8.068 0.308 17803
1188 1 17 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.769 -0.120 17803
1189 1 17 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.316 0.379 17803
1190 1 17 . 1 1 3 3 VAL H H 3 7.917 7.917 7.879 0.038 17803
1191 1 17 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.052 0.142 17803
1192 1 17 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.304 -0.382 17803
1193 1 17 . 1 1 4 4 GLU H H 4 7.994 7.994 8.570 -0.576 17803
1194 1 17 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.183 -0.181 17803
1195 1 17 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.414 0.220 17803
1196 1 17 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.248 0.967 17803
1197 1 17 . 1 1 5 5 GLN H H 5 8.210 8.210 8.720 -0.510 17803
1198 1 17 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.727 0.084 17803
1199 1 17 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.762 -5.214 17803
1200 1 17 . 1 1 6 6 CYS H H 6 8.138 8.138 7.754 0.384 17803
1201 1 17 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.530 0.232 17803
1202 1 17 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.922 -3.811 17803
1203 1 17 . 1 1 7 7 CYS H H 7 8.228 8.228 8.724 -0.496 17803
1204 1 17 . 1 1 8 8 THR HA H 8 4.038 4.038 4.364 -0.326 17803
1205 1 17 . 1 1 8 8 THR CA C 8 64.343 64.343 62.533 1.810 17803
1206 1 17 . 1 1 8 8 THR CB C 8 68.548 68.548 69.706 -1.158 17803
1207 1 17 . 1 1 8 8 THR H H 8 8.010 8.010 7.973 0.037 17803
1208 1 17 . 1 1 9 9 SER HA H 9 4.668 4.668 4.616 0.052 17803
1209 1 17 . 1 1 9 9 SER CA C 9 56.043 56.043 58.072 -2.030 17803
1210 1 17 . 1 1 9 9 SER CB C 9 63.877 63.877 64.667 -0.790 17803
1211 1 17 . 1 1 9 9 SER H H 9 7.417 7.417 7.934 -0.517 17803
1212 1 17 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.378 -0.001 17803
1213 1 17 . 1 1 10 10 ILE CA C 10 59.861 59.861 59.984 -0.123 17803
1214 1 17 . 1 1 10 10 ILE CB C 10 39.419 39.419 39.910 -0.491 17803
1215 1 17 . 1 1 10 10 ILE H H 10 7.756 7.756 8.127 -0.371 17803
1216 1 17 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.825 0.160 17803
1217 1 17 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.896 -5.979 17803
1218 1 17 . 1 1 11 11 CYS H H 11 9.351 9.351 8.481 0.870 17803
1219 1 17 . 1 1 12 12 SER HA H 12 4.553 4.553 4.896 -0.343 17803
1220 1 17 . 1 1 12 12 SER CA C 12 56.396 56.396 56.004 0.392 17803
1221 1 17 . 1 1 12 12 SER CB C 12 65.643 65.643 64.157 1.486 17803
1222 1 17 . 1 1 12 12 SER H H 12 8.551 8.551 8.347 0.204 17803
1223 1 17 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.054 -0.116 17803
1224 1 17 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.427 1.109 17803
1225 1 17 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.606 -0.242 17803
1226 1 17 . 1 1 13 13 LEU H H 13 8.596 8.596 8.829 -0.233 17803
1227 1 17 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.076 0.040 17803
1228 1 17 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.965 -0.705 17803
1229 1 17 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.249 -0.409 17803
1230 1 17 . 1 1 14 14 TYR H H 14 7.477 7.477 8.074 -0.597 17803
1231 1 17 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.701 0.236 17803
1232 1 17 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.398 0.863 17803
1233 1 17 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.928 0.191 17803
1234 1 17 . 1 1 15 15 GLN H H 15 7.521 7.521 7.610 -0.089 17803
1235 1 17 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.104 -0.002 17803
1236 1 17 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.573 0.621 17803
1237 1 17 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.800 0.233 17803
1238 1 17 . 1 1 16 16 LEU H H 16 7.979 7.979 7.746 0.233 17803
1239 1 17 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.282 -0.213 17803
1240 1 17 . 1 1 17 17 GLU CA C 17 57.854 57.854 56.498 1.356 17803
1241 1 17 . 1 1 17 17 GLU CB C 17 27.674 27.674 30.085 -2.411 17803
1242 1 17 . 1 1 17 17 GLU H H 17 8.067 8.067 7.724 0.343 17803
1243 1 17 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.487 -0.097 17803
1244 1 17 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.657 0.298 17803
1245 1 17 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.691 -0.194 17803
1246 1 17 . 1 1 18 18 ASN H H 18 7.474 7.474 7.530 -0.056 17803
1247 1 17 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.315 0.064 17803
1248 1 17 . 1 1 19 19 TYR CA C 19 59.467 59.467 60.212 -0.745 17803
1249 1 17 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.372 0.714 17803
1250 1 17 . 1 1 19 19 TYR H H 19 7.853 7.853 7.527 0.326 17803
1251 1 17 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.470 0.092 17803
1252 1 17 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.951 -4.428 17803
1253 1 17 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.247 9.720 17803
1254 1 17 . 1 1 20 20 CYS H H 20 7.535 7.535 8.337 -0.802 17803
1255 1 17 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.785 -0.072 17803
1256 1 17 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.251 -0.164 17803
1257 1 17 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.403 -0.473 17803
1258 1 17 . 1 1 21 21 ASN H H 21 7.968 7.968 7.872 0.096 17803
1259 1 18 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.226 0.697 17803
1260 1 18 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.969 -0.304 17803
1261 1 18 . 1 1 2 2 ILE H H 2 8.376 8.376 8.541 -0.165 17803
1262 1 18 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.637 0.012 17803
1263 1 18 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.331 0.364 17803
1264 1 18 . 1 1 3 3 VAL H H 3 7.917 7.917 7.927 -0.010 17803
1265 1 18 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.903 0.291 17803
1266 1 18 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.482 -0.560 17803
1267 1 18 . 1 1 4 4 GLU H H 4 7.994 7.994 8.776 -0.782 17803
1268 1 18 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.176 -0.174 17803
1269 1 18 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.927 0.707 17803
1270 1 18 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.584 0.631 17803
1271 1 18 . 1 1 5 5 GLN H H 5 8.210 8.210 7.808 0.402 17803
1272 1 18 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.863 -0.052 17803
1273 1 18 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.579 -4.031 17803
1274 1 18 . 1 1 6 6 CYS H H 6 8.138 8.138 7.716 0.422 17803
1275 1 18 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.610 0.152 17803
1276 1 18 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.119 -4.008 17803
1277 1 18 . 1 1 7 7 CYS H H 7 8.228 8.228 8.606 -0.378 17803
1278 1 18 . 1 1 8 8 THR HA H 8 4.038 4.038 4.396 -0.358 17803
1279 1 18 . 1 1 8 8 THR CA C 8 64.343 64.343 62.679 1.664 17803
1280 1 18 . 1 1 8 8 THR CB C 8 68.548 68.548 69.840 -1.292 17803
1281 1 18 . 1 1 8 8 THR H H 8 8.010 8.010 7.746 0.264 17803
1282 1 18 . 1 1 9 9 SER HA H 9 4.668 4.668 4.740 -0.072 17803
1283 1 18 . 1 1 9 9 SER CA C 9 56.043 56.043 57.275 -1.232 17803
1284 1 18 . 1 1 9 9 SER CB C 9 63.877 63.877 64.153 -0.276 17803
1285 1 18 . 1 1 9 9 SER H H 9 7.417 7.417 8.003 -0.586 17803
1286 1 18 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.537 -0.160 17803
1287 1 18 . 1 1 10 10 ILE CA C 10 59.861 59.861 59.408 0.453 17803
1288 1 18 . 1 1 10 10 ILE CB C 10 39.419 39.419 40.554 -1.135 17803
1289 1 18 . 1 1 10 10 ILE H H 10 7.756 7.756 8.202 -0.446 17803
1290 1 18 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.931 0.054 17803
1291 1 18 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.937 -4.020 17803
1292 1 18 . 1 1 11 11 CYS H H 11 9.351 9.351 8.267 1.084 17803
1293 1 18 . 1 1 12 12 SER HA H 12 4.553 4.553 4.707 -0.154 17803
1294 1 18 . 1 1 12 12 SER CA C 12 56.396 56.396 56.347 0.049 17803
1295 1 18 . 1 1 12 12 SER CB C 12 65.643 65.643 64.648 0.995 17803
1296 1 18 . 1 1 12 12 SER H H 12 8.551 8.551 8.583 -0.032 17803
1297 1 18 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.918 0.020 17803
1298 1 18 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.583 0.953 17803
1299 1 18 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.340 0.024 17803
1300 1 18 . 1 1 13 13 LEU H H 13 8.596 8.596 8.681 -0.085 17803
1301 1 18 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.276 -0.160 17803
1302 1 18 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.183 0.077 17803
1303 1 18 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.645 0.195 17803
1304 1 18 . 1 1 14 14 TYR H H 14 7.477 7.477 7.886 -0.409 17803
1305 1 18 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.192 -0.255 17803
1306 1 18 . 1 1 15 15 GLN CA C 15 58.261 58.261 56.767 1.494 17803
1307 1 18 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.321 -0.202 17803
1308 1 18 . 1 1 15 15 GLN H H 15 7.521 7.521 7.842 -0.321 17803
1309 1 18 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.947 0.155 17803
1310 1 18 . 1 1 16 16 LEU CA C 16 58.194 58.194 58.102 0.092 17803
1311 1 18 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.763 0.270 17803
1312 1 18 . 1 1 16 16 LEU H H 16 7.979 7.979 8.324 -0.345 17803
1313 1 18 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.002 0.067 17803
1314 1 18 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.744 -0.890 17803
1315 1 18 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.782 -2.108 17803
1316 1 18 . 1 1 17 17 GLU H H 17 8.067 8.067 7.801 0.266 17803
1317 1 18 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.546 -0.156 17803
1318 1 18 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.200 0.755 17803
1319 1 18 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.339 0.159 17803
1320 1 18 . 1 1 18 18 ASN H H 18 7.474 7.474 7.534 -0.060 17803
1321 1 18 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.458 -0.079 17803
1322 1 18 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.948 1.519 17803
1323 1 18 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.569 0.517 17803
1324 1 18 . 1 1 19 19 TYR H H 19 7.853 7.853 7.285 0.568 17803
1325 1 18 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.426 0.136 17803
1326 1 18 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.531 -4.008 17803
1327 1 18 . 1 1 20 20 CYS CB C 20 36.967 36.967 24.643 12.324 17803
1328 1 18 . 1 1 20 20 CYS H H 20 7.535 7.535 7.950 -0.415 17803
1329 1 18 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.685 0.028 17803
1330 1 18 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.854 -0.767 17803
1331 1 18 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.220 -0.290 17803
1332 1 18 . 1 1 21 21 ASN H H 21 7.968 7.968 7.900 0.068 17803
1333 1 19 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.317 0.606 17803
1334 1 19 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.122 -0.457 17803
1335 1 19 . 1 1 2 2 ILE H H 2 8.376 8.376 8.573 -0.197 17803
1336 1 19 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.554 0.095 17803
1337 1 19 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.421 0.274 17803
1338 1 19 . 1 1 3 3 VAL H H 3 7.917 7.917 8.037 -0.120 17803
1339 1 19 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.140 0.054 17803
1340 1 19 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.147 -0.225 17803
1341 1 19 . 1 1 4 4 GLU H H 4 7.994 7.994 8.726 -0.732 17803
1342 1 19 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.341 -0.339 17803
1343 1 19 . 1 1 5 5 GLN CA C 5 58.634 58.634 56.974 1.660 17803
1344 1 19 . 1 1 5 5 GLN CB C 5 29.215 29.215 29.526 -0.311 17803
1345 1 19 . 1 1 5 5 GLN H H 5 8.210 8.210 8.044 0.166 17803
1346 1 19 . 1 1 6 6 CYS HA H 6 4.811 4.811 5.010 -0.199 17803
1347 1 19 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.829 -5.281 17803
1348 1 19 . 1 1 6 6 CYS H H 6 8.138 8.138 7.741 0.397 17803
1349 1 19 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.443 0.319 17803
1350 1 19 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.834 -4.723 17803
1351 1 19 . 1 1 7 7 CYS H H 7 8.228 8.228 8.840 -0.612 17803
1352 1 19 . 1 1 8 8 THR HA H 8 4.038 4.038 4.220 -0.182 17803
1353 1 19 . 1 1 8 8 THR CA C 8 64.343 64.343 63.965 0.378 17803
1354 1 19 . 1 1 8 8 THR CB C 8 68.548 68.548 69.304 -0.756 17803
1355 1 19 . 1 1 8 8 THR H H 8 8.010 8.010 8.443 -0.433 17803
1356 1 19 . 1 1 9 9 SER HA H 9 4.668 4.668 4.785 -0.117 17803
1357 1 19 . 1 1 9 9 SER CA C 9 56.043 56.043 57.085 -1.042 17803
1358 1 19 . 1 1 9 9 SER CB C 9 63.877 63.877 65.880 -2.003 17803
1359 1 19 . 1 1 9 9 SER H H 9 7.417 7.417 7.714 -0.297 17803
1360 1 19 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.081 0.296 17803
1361 1 19 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.839 -1.978 17803
1362 1 19 . 1 1 10 10 ILE CB C 10 39.419 39.419 37.926 1.493 17803
1363 1 19 . 1 1 10 10 ILE H H 10 7.756 7.756 8.260 -0.504 17803
1364 1 19 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.858 0.127 17803
1365 1 19 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.063 -4.146 17803
1366 1 19 . 1 1 11 11 CYS H H 11 9.351 9.351 8.171 1.180 17803
1367 1 19 . 1 1 12 12 SER HA H 12 4.553 4.553 4.861 -0.308 17803
1368 1 19 . 1 1 12 12 SER CA C 12 56.396 56.396 56.839 -0.443 17803
1369 1 19 . 1 1 12 12 SER CB C 12 65.643 65.643 65.993 -0.350 17803
1370 1 19 . 1 1 12 12 SER H H 12 8.551 8.551 8.344 0.207 17803
1371 1 19 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.067 -0.129 17803
1372 1 19 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.982 0.554 17803
1373 1 19 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.834 -0.470 17803
1374 1 19 . 1 1 13 13 LEU H H 13 8.596 8.596 8.913 -0.317 17803
1375 1 19 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.093 0.023 17803
1376 1 19 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.915 -0.655 17803
1377 1 19 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.050 -0.210 17803
1378 1 19 . 1 1 14 14 TYR H H 14 7.477 7.477 8.376 -0.899 17803
1379 1 19 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.155 -0.218 17803
1380 1 19 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.343 0.918 17803
1381 1 19 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.209 -0.090 17803
1382 1 19 . 1 1 15 15 GLN H H 15 7.521 7.521 7.794 -0.273 17803
1383 1 19 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.288 -0.186 17803
1384 1 19 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.902 0.292 17803
1385 1 19 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.789 0.244 17803
1386 1 19 . 1 1 16 16 LEU H H 16 7.979 7.979 8.334 -0.355 17803
1387 1 19 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.948 0.121 17803
1388 1 19 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.840 -0.987 17803
1389 1 19 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.210 -1.536 17803
1390 1 19 . 1 1 17 17 GLU H H 17 8.067 8.067 8.344 -0.277 17803
1391 1 19 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.332 0.058 17803
1392 1 19 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.044 -0.089 17803
1393 1 19 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.248 0.249 17803
1394 1 19 . 1 1 18 18 ASN H H 18 7.474 7.474 7.507 -0.033 17803
1395 1 19 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.669 -0.290 17803
1396 1 19 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.507 1.960 17803
1397 1 19 . 1 1 19 19 TYR CB C 19 38.086 38.086 38.025 0.061 17803
1398 1 19 . 1 1 19 19 TYR H H 19 7.853 7.853 7.631 0.222 17803
1399 1 19 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.886 -0.324 17803
1400 1 19 . 1 1 20 20 CYS CA C 20 54.523 54.523 56.570 -2.047 17803
1401 1 19 . 1 1 20 20 CYS CB C 20 36.967 36.967 30.260 6.707 17803
1402 1 19 . 1 1 20 20 CYS H H 20 7.535 7.535 7.712 -0.177 17803
1403 1 19 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.747 -0.034 17803
1404 1 19 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.563 0.524 17803
1405 1 19 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.209 1.721 17803
1406 1 19 . 1 1 21 21 ASN H H 21 7.968 7.968 8.749 -0.781 17803
1407 1 20 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.671 0.252 17803
1408 1 20 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.029 -0.364 17803
1409 1 20 . 1 1 2 2 ILE H H 2 8.376 8.376 8.532 -0.156 17803
1410 1 20 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.545 0.104 17803
1411 1 20 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.317 0.378 17803
1412 1 20 . 1 1 3 3 VAL H H 3 7.917 7.917 7.698 0.219 17803
1413 1 20 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.905 0.289 17803
1414 1 20 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.272 -1.350 17803
1415 1 20 . 1 1 4 4 GLU H H 4 7.994 7.994 8.328 -0.334 17803
1416 1 20 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.157 -0.155 17803
1417 1 20 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.175 0.459 17803
1418 1 20 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.519 0.696 17803
1419 1 20 . 1 1 5 5 GLN H H 5 8.210 8.210 7.963 0.247 17803
1420 1 20 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.840 -0.029 17803
1421 1 20 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.667 -4.119 17803
1422 1 20 . 1 1 6 6 CYS H H 6 8.138 8.138 7.499 0.639 17803
1423 1 20 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.425 0.337 17803
1424 1 20 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.569 -3.458 17803
1425 1 20 . 1 1 7 7 CYS H H 7 8.228 8.228 8.305 -0.077 17803
1426 1 20 . 1 1 8 8 THR HA H 8 4.038 4.038 4.267 -0.229 17803
1427 1 20 . 1 1 8 8 THR CA C 8 64.343 64.343 63.103 1.240 17803
1428 1 20 . 1 1 8 8 THR CB C 8 68.548 68.548 69.457 -0.909 17803
1429 1 20 . 1 1 8 8 THR H H 8 8.010 8.010 8.272 -0.262 17803
1430 1 20 . 1 1 9 9 SER HA H 9 4.668 4.668 4.758 -0.090 17803
1431 1 20 . 1 1 9 9 SER CA C 9 56.043 56.043 56.980 -0.938 17803
1432 1 20 . 1 1 9 9 SER CB C 9 63.877 63.877 64.555 -0.678 17803
1433 1 20 . 1 1 9 9 SER H H 9 7.417 7.417 7.779 -0.362 17803
1434 1 20 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.209 0.168 17803
1435 1 20 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.795 -0.935 17803
1436 1 20 . 1 1 10 10 ILE CB C 10 39.419 39.419 37.756 1.663 17803
1437 1 20 . 1 1 10 10 ILE H H 10 7.756 7.756 8.174 -0.418 17803
1438 1 20 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.920 0.065 17803
1439 1 20 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.791 -3.874 17803
1440 1 20 . 1 1 11 11 CYS H H 11 9.351 9.351 8.827 0.524 17803
1441 1 20 . 1 1 12 12 SER HA H 12 4.553 4.553 4.756 -0.203 17803
1442 1 20 . 1 1 12 12 SER CA C 12 56.396 56.396 56.531 -0.135 17803
1443 1 20 . 1 1 12 12 SER CB C 12 65.643 65.643 65.646 -0.003 17803
1444 1 20 . 1 1 12 12 SER H H 12 8.551 8.551 8.326 0.225 17803
1445 1 20 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.881 0.057 17803
1446 1 20 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.980 0.556 17803
1447 1 20 . 1 1 13 13 LEU CB C 13 41.364 41.364 40.962 0.402 17803
1448 1 20 . 1 1 13 13 LEU H H 13 8.596 8.596 8.614 -0.018 17803
1449 1 20 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.284 -0.168 17803
1450 1 20 . 1 1 14 14 TYR CA C 14 60.260 60.260 59.817 0.443 17803
1451 1 20 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.292 0.548 17803
1452 1 20 . 1 1 14 14 TYR H H 14 7.477 7.477 8.086 -0.609 17803
1453 1 20 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.934 0.003 17803
1454 1 20 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.975 0.286 17803
1455 1 20 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.240 -0.121 17803
1456 1 20 . 1 1 15 15 GLN H H 15 7.521 7.521 7.543 -0.022 17803
1457 1 20 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.816 0.286 17803
1458 1 20 . 1 1 16 16 LEU CA C 16 58.194 58.194 58.007 0.187 17803
1459 1 20 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.760 0.273 17803
1460 1 20 . 1 1 16 16 LEU H H 16 7.979 7.979 7.987 -0.008 17803
1461 1 20 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.101 -0.032 17803
1462 1 20 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.132 -0.278 17803
1463 1 20 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.364 -1.690 17803
1464 1 20 . 1 1 17 17 GLU H H 17 8.067 8.067 8.014 0.053 17803
1465 1 20 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.778 -0.388 17803
1466 1 20 . 1 1 18 18 ASN CA C 18 54.955 54.955 53.919 1.036 17803
1467 1 20 . 1 1 18 18 ASN CB C 18 38.497 38.497 40.327 -1.829 17803
1468 1 20 . 1 1 18 18 ASN H H 18 7.474 7.474 7.710 -0.236 17803
1469 1 20 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.421 -0.042 17803
1470 1 20 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.349 1.118 17803
1471 1 20 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.992 0.094 17803
1472 1 20 . 1 1 19 19 TYR H H 19 7.853 7.853 7.587 0.266 17803
1473 1 20 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.537 0.025 17803
1474 1 20 . 1 1 20 20 CYS CA C 20 54.523 54.523 57.050 -2.527 17803
1475 1 20 . 1 1 20 20 CYS CB C 20 36.967 36.967 28.125 8.841 17803
1476 1 20 . 1 1 20 20 CYS H H 20 7.535 7.535 7.805 -0.270 17803
1477 1 20 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.574 0.139 17803
1478 1 20 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.777 -0.690 17803
1479 1 20 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.429 1.501 17803
1480 1 20 . 1 1 21 21 ASN H H 21 7.968 7.968 8.645 -0.677 17803
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 17803
2 1 1 "Average Difference" HA 20 0.199 0.025 0.203 17803
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17803
4 1 1 "Average Difference" CA 18 2.299 1.066 2.096 17803
5 1 1 "Average Difference" CB 16 2.624 -0.633 2.630 17803
6 1 1 "Average Difference" HN 20 0.411 0.077 0.414 17803
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17803
8 1 2 "Average Difference" HA 20 0.217 0.009 0.223 17803
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17803
10 1 2 "Average Difference" CA 18 2.341 1.097 2.128 17803
11 1 2 "Average Difference" CB 16 2.690 -0.739 2.671 17803
12 1 2 "Average Difference" HN 20 0.403 0.089 0.403 17803
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17803
14 1 3 "Average Difference" HA 20 0.271 0.071 0.268 17803
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17803
16 1 3 "Average Difference" CA 18 2.550 0.961 2.430 17803
17 1 3 "Average Difference" CB 16 2.751 -0.696 2.748 17803
18 1 3 "Average Difference" HN 20 0.395 0.092 0.394 17803
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17803
20 1 4 "Average Difference" HA 20 0.227 0.016 0.232 17803
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17803
22 1 4 "Average Difference" CA 18 2.117 0.776 2.027 17803
23 1 4 "Average Difference" CB 16 2.557 -0.791 2.511 17803
24 1 4 "Average Difference" HN 20 0.421 0.006 0.431 17803
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17803
26 1 5 "Average Difference" HA 20 0.191 -0.019 0.195 17803
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17803
28 1 5 "Average Difference" CA 18 2.369 0.892 2.258 17803
29 1 5 "Average Difference" CB 16 2.758 -0.819 2.720 17803
30 1 5 "Average Difference" HN 20 0.434 0.015 0.445 17803
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17803
32 1 6 "Average Difference" HA 20 0.216 0.006 0.222 17803
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17803
34 1 6 "Average Difference" CA 18 2.033 0.960 1.844 17803
35 1 6 "Average Difference" CB 16 2.560 -0.508 2.591 17803
36 1 6 "Average Difference" HN 20 0.320 0.111 0.307 17803
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17803
38 1 7 "Average Difference" HA 20 0.183 -0.030 0.185 17803
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17803
40 1 7 "Average Difference" CA 18 2.280 1.039 2.089 17803
41 1 7 "Average Difference" CB 16 3.145 -0.756 3.153 17803
42 1 7 "Average Difference" HN 20 0.461 0.084 0.465 17803
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17803
44 1 8 "Average Difference" HA 20 0.187 -0.020 0.191 17803
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17803
46 1 8 "Average Difference" CA 18 2.206 0.813 2.111 17803
47 1 8 "Average Difference" CB 16 2.465 -0.521 2.488 17803
48 1 8 "Average Difference" HN 20 0.396 0.101 0.393 17803
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17803
50 1 9 "Average Difference" HA 20 0.218 -0.003 0.224 17803
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17803
52 1 9 "Average Difference" CA 18 2.379 0.951 2.244 17803
53 1 9 "Average Difference" CB 16 2.421 -0.517 2.443 17803
54 1 9 "Average Difference" HN 20 0.403 0.065 0.408 17803
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17803
56 1 10 "Average Difference" HA 20 0.219 0.104 0.198 17803
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17803
58 1 10 "Average Difference" CA 18 2.462 1.043 2.295 17803
59 1 10 "Average Difference" CB 16 3.001 -0.809 2.985 17803
60 1 10 "Average Difference" HN 20 0.419 0.078 0.422 17803
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17803
62 1 11 "Average Difference" HA 20 0.189 -0.014 0.193 17803
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17803
64 1 11 "Average Difference" CA 18 1.998 0.725 1.916 17803
65 1 11 "Average Difference" CB 16 2.406 -0.507 2.429 17803
66 1 11 "Average Difference" HN 20 0.430 0.075 0.434 17803
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17803
68 1 12 "Average Difference" HA 20 0.200 -0.037 0.202 17803
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17803
70 1 12 "Average Difference" CA 18 2.095 0.856 1.968 17803
71 1 12 "Average Difference" CB 16 2.431 -0.540 2.448 17803
72 1 12 "Average Difference" HN 20 0.441 0.003 0.453 17803
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17803
74 1 13 "Average Difference" HA 20 0.236 0.098 0.220 17803
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17803
76 1 13 "Average Difference" CA 18 2.271 0.890 2.150 17803
77 1 13 "Average Difference" CB 16 2.378 -0.378 2.425 17803
78 1 13 "Average Difference" HN 20 0.425 0.102 0.423 17803
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17803
80 1 14 "Average Difference" HA 20 0.211 0.007 0.216 17803
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17803
82 1 14 "Average Difference" CA 18 2.573 1.060 2.413 17803
83 1 14 "Average Difference" CB 16 2.873 -0.674 2.884 17803
84 1 14 "Average Difference" HN 20 0.476 0.099 0.478 17803
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17803
86 1 15 "Average Difference" HA 20 0.243 -0.050 0.244 17803
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17803
88 1 15 "Average Difference" CA 18 2.321 1.027 2.142 17803
89 1 15 "Average Difference" CB 16 2.536 -0.642 2.534 17803
90 1 15 "Average Difference" HN 20 0.411 0.072 0.415 17803
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17803
92 1 16 "Average Difference" HA 20 0.209 -0.066 0.204 17803
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17803
94 1 16 "Average Difference" CA 18 2.527 1.344 2.201 17803
95 1 16 "Average Difference" CB 16 2.485 -0.650 2.477 17803
96 1 16 "Average Difference" HN 20 0.430 0.155 0.411 17803
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17803
98 1 17 "Average Difference" HA 20 0.169 0.029 0.171 17803
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17803
100 1 17 "Average Difference" CA 18 2.498 0.835 2.422 17803
101 1 17 "Average Difference" CB 16 2.586 -0.446 2.631 17803
102 1 17 "Average Difference" HN 20 0.427 0.070 0.432 17803
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17803
104 1 18 "Average Difference" HA 20 0.222 0.000 0.227 17803
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17803
106 1 18 "Average Difference" CA 18 2.069 0.639 2.025 17803
107 1 18 "Average Difference" CB 16 3.179 -0.601 3.224 17803
108 1 18 "Average Difference" HN 20 0.440 0.048 0.449 17803
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17803
110 1 19 "Average Difference" HA 20 0.244 0.031 0.248 17803
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17803
112 1 19 "Average Difference" CA 18 2.194 0.864 2.075 17803
113 1 19 "Average Difference" CB 16 1.902 -0.300 1.939 17803
114 1 19 "Average Difference" HN 20 0.500 0.192 0.473 17803
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17803
116 1 20 "Average Difference" HA 20 0.189 -0.020 0.193 17803
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17803
118 1 20 "Average Difference" CA 18 1.787 0.666 1.706 17803
119 1 20 "Average Difference" CB 16 2.420 -0.488 2.448 17803
120 1 20 "Average Difference" HN 20 0.346 0.064 0.349 17803
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 17803
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.732 0.191 17803
2 1 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.511 0.154 17803
3 1 . 1 1 2 2 ILE H H 2 8.376 8.376 8.352 0.024 17803
4 1 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.670 -0.021 17803
5 1 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.004 0.691 17803
6 1 . 1 1 3 3 VAL H H 3 7.917 7.917 7.923 -0.006 17803
7 1 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.052 0.142 17803
8 1 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.575 -0.653 17803
9 1 . 1 1 4 4 GLU H H 4 7.994 7.994 8.654 -0.660 17803
10 1 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.255 -0.253 17803
11 1 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.974 0.660 17803
12 1 . 1 1 5 5 GLN CB C 5 29.215 29.215 29.027 0.188 17803
13 1 . 1 1 5 5 GLN H H 5 8.210 8.210 7.994 0.216 17803
14 1 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.865 -0.054 17803
15 1 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.403 -4.855 17803
16 1 . 1 1 6 6 CYS H H 6 8.138 8.138 7.776 0.362 17803
17 1 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.505 0.257 17803
18 1 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.060 -3.949 17803
19 1 . 1 1 7 7 CYS H H 7 8.228 8.228 8.645 -0.417 17803
20 1 . 1 1 8 8 THR HA H 8 4.038 4.038 4.326 -0.288 17803
21 1 . 1 1 8 8 THR CA C 8 64.343 64.343 63.222 1.121 17803
22 1 . 1 1 8 8 THR CB C 8 68.548 68.548 69.428 -0.880 17803
23 1 . 1 1 8 8 THR H H 8 8.010 8.010 8.084 -0.074 17803
24 1 . 1 1 9 9 SER HA H 9 4.668 4.668 4.714 -0.046 17803
25 1 . 1 1 9 9 SER CA C 9 56.043 56.043 57.284 -1.242 17803
26 1 . 1 1 9 9 SER CB C 9 63.877 63.877 64.965 -1.088 17803
27 1 . 1 1 9 9 SER H H 9 7.417 7.417 7.758 -0.341 17803
28 1 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.230 0.147 17803
29 1 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.178 -1.317 17803
30 1 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.695 0.724 17803
31 1 . 1 1 10 10 ILE H H 10 7.756 7.756 8.146 -0.390 17803
32 1 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.943 0.042 17803
33 1 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.435 -4.518 17803
34 1 . 1 1 11 11 CYS H H 11 9.351 9.351 8.448 0.903 17803
35 1 . 1 1 12 12 SER HA H 12 4.553 4.553 4.795 -0.242 17803
36 1 . 1 1 12 12 SER CA C 12 56.396 56.396 56.671 -0.275 17803
37 1 . 1 1 12 12 SER CB C 12 65.643 65.643 64.833 0.810 17803
38 1 . 1 1 12 12 SER H H 12 8.551 8.551 8.637 -0.086 17803
39 1 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.971 -0.033 17803
40 1 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.793 0.743 17803
41 1 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.347 0.017 17803
42 1 . 1 1 13 13 LEU H H 13 8.596 8.596 8.752 -0.156 17803
43 1 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.264 -0.148 17803
44 1 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.190 0.070 17803
45 1 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.696 0.144 17803
46 1 . 1 1 14 14 TYR H H 14 7.477 7.477 7.950 -0.473 17803
47 1 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.959 -0.022 17803
48 1 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.755 0.507 17803
49 1 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.994 0.125 17803
50 1 . 1 1 15 15 GLN H H 15 7.521 7.521 7.633 -0.112 17803
51 1 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.915 0.187 17803
52 1 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.610 0.584 17803
53 1 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.643 0.390 17803
54 1 . 1 1 16 16 LEU H H 16 7.979 7.979 7.950 0.029 17803
55 1 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.004 0.065 17803
56 1 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.575 -0.721 17803
57 1 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.397 -1.722 17803
58 1 . 1 1 17 17 GLU H H 17 8.067 8.067 8.105 -0.038 17803
59 1 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.465 -0.075 17803
60 1 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.089 -0.134 17803
61 1 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.557 -0.060 17803
62 1 . 1 1 18 18 ASN H H 18 7.474 7.474 7.545 -0.071 17803
63 1 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.472 -0.093 17803
64 1 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.547 0.920 17803
65 1 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.676 0.410 17803
66 1 . 1 1 19 19 TYR H H 19 7.853 7.853 7.536 0.317 17803
67 1 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.501 0.061 17803
68 1 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.737 -4.214 17803
69 1 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.165 9.802 17803
70 1 . 1 1 20 20 CYS H H 20 7.535 7.535 7.910 -0.375 17803
71 1 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.666 0.047 17803
72 1 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.274 -0.187 17803
73 1 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.215 0.715 17803
74 1 . 1 1 21 21 ASN H H 21 7.968 7.968 8.217 -0.249 17803
stop_
save_