data_25613
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25613
_Entry.PDB_ID 2N2V
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 25613
_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 4.066 4.066 3.979 0.087 25613
2 1 1 . 1 1 2 2 ILE CA C 2 57.493 57.493 61.846 -4.354 25613
3 1 1 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.567 -7.299 25613
4 1 1 . 1 1 2 2 ILE H H 2 8.541 8.541 8.419 0.122 25613
5 1 1 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.537 0.194 25613
6 1 1 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.630 -1.858 25613
7 1 1 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.324 0.272 25613
8 1 1 . 1 1 3 3 VAL H H 3 8.164 8.164 8.085 0.079 25613
9 1 1 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.982 0.309 25613
10 1 1 . 1 1 4 4 GLU CA C 4 57.076 57.076 60.120 -3.044 25613
11 1 1 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.978 -1.195 25613
12 1 1 . 1 1 4 4 GLU H H 4 8.161 8.161 8.702 -0.541 25613
13 1 1 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.051 0.074 25613
14 1 1 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.729 -0.146 25613
15 1 1 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.725 0.293 25613
16 1 1 . 1 1 5 5 GLN H H 5 8.290 8.290 7.866 0.424 25613
17 1 1 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.384 0.575 25613
18 1 1 . 1 1 6 6 CYS H H 6 8.369 8.369 8.111 0.258 25613
19 1 1 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.406 0.467 25613
20 1 1 . 1 1 7 7 CYS CB C 7 38.817 38.817 27.020 11.797 25613
21 1 1 . 1 1 7 7 CYS H H 7 8.308 8.308 8.142 0.166 25613
22 1 1 . 1 1 8 8 THR HA H 8 4.110 4.110 4.350 -0.240 25613
23 1 1 . 1 1 8 8 THR CA C 8 64.398 64.398 63.894 0.504 25613
24 1 1 . 1 1 8 8 THR CB C 8 68.493 68.493 69.221 -0.728 25613
25 1 1 . 1 1 8 8 THR H H 8 8.233 8.233 8.272 -0.039 25613
26 1 1 . 1 1 9 9 SER HA H 9 4.816 4.816 4.708 0.108 25613
27 1 1 . 1 1 9 9 SER CA C 9 55.989 55.989 56.533 -0.544 25613
28 1 1 . 1 1 9 9 SER CB C 9 64.007 64.007 64.986 -0.979 25613
29 1 1 . 1 1 9 9 SER H H 9 7.533 7.533 7.541 -0.008 25613
30 1 1 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.132 0.246 25613
31 1 1 . 1 1 10 10 ILE CA C 10 59.891 59.891 61.198 -1.307 25613
32 1 1 . 1 1 10 10 ILE CB C 10 38.925 38.925 38.076 0.849 25613
33 1 1 . 1 1 10 10 ILE H H 10 7.876 7.876 8.352 -0.476 25613
34 1 1 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.615 0.351 25613
35 1 1 . 1 1 11 11 CYS H H 11 9.710 9.710 8.805 0.905 25613
36 1 1 . 1 1 12 12 SER HA H 12 4.635 4.635 4.659 -0.024 25613
37 1 1 . 1 1 12 12 SER CA C 12 56.435 56.435 57.447 -1.012 25613
38 1 1 . 1 1 12 12 SER CB C 12 65.596 65.596 65.247 0.349 25613
39 1 1 . 1 1 12 12 SER H H 12 8.799 8.799 8.142 0.657 25613
40 1 1 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.788 0.100 25613
41 1 1 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.198 0.031 25613
42 1 1 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.976 0.171 25613
43 1 1 . 1 1 13 13 LEU H H 13 8.652 8.652 8.385 0.267 25613
44 1 1 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.116 0.077 25613
45 1 1 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.634 -0.654 25613
46 1 1 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.748 0.873 25613
47 1 1 . 1 1 14 14 TYR H H 14 7.517 7.517 7.170 0.347 25613
48 1 1 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.932 0.083 25613
49 1 1 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.598 -0.136 25613
50 1 1 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.246 0.701 25613
51 1 1 . 1 1 15 15 GLN H H 15 7.581 7.581 7.590 -0.009 25613
52 1 1 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.312 0.893 25613
53 1 1 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.193 0.842 25613
54 1 1 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.699 0.168 25613
55 1 1 . 1 1 16 16 LEU H H 16 8.084 8.084 7.813 0.271 25613
56 1 1 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.000 0.227 25613
57 1 1 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.212 -1.542 25613
58 1 1 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.022 -0.046 25613
59 1 1 . 1 1 17 17 GLU H H 17 8.121 8.121 8.184 -0.063 25613
60 1 1 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.556 -0.036 25613
61 1 1 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.671 0.048 25613
62 1 1 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.252 0.127 25613
63 1 1 . 1 1 18 18 ASN H H 18 7.469 7.469 7.850 -0.381 25613
64 1 1 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.568 -0.040 25613
65 1 1 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.727 2.193 25613
66 1 1 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.989 0.283 25613
67 1 1 . 1 1 19 19 TYR H H 19 7.928 7.928 7.428 0.500 25613
68 1 1 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.822 0.145 25613
69 1 1 . 1 1 20 20 CYS CB C 20 35.810 35.810 29.656 6.154 25613
70 1 1 . 1 1 20 20 CYS H H 20 7.484 7.484 7.670 -0.186 25613
71 1 2 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.983 0.083 25613
72 1 2 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.174 -4.681 25613
73 1 2 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.303 -7.035 25613
74 1 2 . 1 1 2 2 ILE H H 2 8.541 8.541 8.333 0.208 25613
75 1 2 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.571 0.160 25613
76 1 2 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.494 -1.722 25613
77 1 2 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.152 0.444 25613
78 1 2 . 1 1 3 3 VAL H H 3 8.164 8.164 8.124 0.040 25613
79 1 2 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.988 0.303 25613
80 1 2 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.074 -1.998 25613
81 1 2 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.732 -0.949 25613
82 1 2 . 1 1 4 4 GLU H H 4 8.161 8.161 8.081 0.080 25613
83 1 2 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.116 0.009 25613
84 1 2 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.565 0.018 25613
85 1 2 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.419 0.599 25613
86 1 2 . 1 1 5 5 GLN H H 5 8.290 8.290 7.582 0.708 25613
87 1 2 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.312 0.647 25613
88 1 2 . 1 1 6 6 CYS H H 6 8.369 8.369 8.277 0.092 25613
89 1 2 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.320 0.553 25613
90 1 2 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.668 12.149 25613
91 1 2 . 1 1 7 7 CYS H H 7 8.308 8.308 8.158 0.150 25613
92 1 2 . 1 1 8 8 THR HA H 8 4.110 4.110 4.312 -0.202 25613
93 1 2 . 1 1 8 8 THR CA C 8 64.398 64.398 64.055 0.343 25613
94 1 2 . 1 1 8 8 THR CB C 8 68.493 68.493 69.627 -1.134 25613
95 1 2 . 1 1 8 8 THR H H 8 8.233 8.233 8.207 0.026 25613
96 1 2 . 1 1 9 9 SER HA H 9 4.816 4.816 4.648 0.168 25613
97 1 2 . 1 1 9 9 SER CA C 9 55.989 55.989 57.356 -1.367 25613
98 1 2 . 1 1 9 9 SER CB C 9 64.007 64.007 65.505 -1.498 25613
99 1 2 . 1 1 9 9 SER H H 9 7.533 7.533 8.139 -0.606 25613
100 1 2 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.115 0.263 25613
101 1 2 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.776 -0.885 25613
102 1 2 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.761 2.163 25613
103 1 2 . 1 1 10 10 ILE H H 10 7.876 7.876 8.259 -0.383 25613
104 1 2 . 1 1 11 11 CYS HA H 11 4.966 4.966 5.086 -0.120 25613
105 1 2 . 1 1 11 11 CYS H H 11 9.710 9.710 8.737 0.973 25613
106 1 2 . 1 1 12 12 SER HA H 12 4.635 4.635 4.705 -0.070 25613
107 1 2 . 1 1 12 12 SER CA C 12 56.435 56.435 57.130 -0.695 25613
108 1 2 . 1 1 12 12 SER CB C 12 65.596 65.596 65.129 0.467 25613
109 1 2 . 1 1 12 12 SER H H 12 8.799 8.799 8.689 0.110 25613
110 1 2 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.754 0.134 25613
111 1 2 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.190 0.039 25613
112 1 2 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.119 0.028 25613
113 1 2 . 1 1 13 13 LEU H H 13 8.652 8.652 8.342 0.310 25613
114 1 2 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.365 -0.172 25613
115 1 2 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.195 -0.215 25613
116 1 2 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.714 0.907 25613
117 1 2 . 1 1 14 14 TYR H H 14 7.517 7.517 6.923 0.594 25613
118 1 2 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.861 0.154 25613
119 1 2 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.439 0.023 25613
120 1 2 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.207 0.740 25613
121 1 2 . 1 1 15 15 GLN H H 15 7.581 7.581 7.638 -0.057 25613
122 1 2 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.490 0.715 25613
123 1 2 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.391 0.644 25613
124 1 2 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.702 0.166 25613
125 1 2 . 1 1 16 16 LEU H H 16 8.084 8.084 7.878 0.206 25613
126 1 2 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.992 0.235 25613
127 1 2 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.284 -1.614 25613
128 1 2 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.363 -0.387 25613
129 1 2 . 1 1 17 17 GLU H H 17 8.121 8.121 8.545 -0.424 25613
130 1 2 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.559 -0.039 25613
131 1 2 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.432 0.287 25613
132 1 2 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.207 0.172 25613
133 1 2 . 1 1 18 18 ASN H H 18 7.469 7.469 7.926 -0.457 25613
134 1 2 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.582 -0.054 25613
135 1 2 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.440 2.480 25613
136 1 2 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.909 0.363 25613
137 1 2 . 1 1 19 19 TYR H H 19 7.928 7.928 7.462 0.466 25613
138 1 2 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.830 0.137 25613
139 1 2 . 1 1 20 20 CYS CB C 20 35.810 35.810 29.675 6.135 25613
140 1 2 . 1 1 20 20 CYS H H 20 7.484 7.484 7.769 -0.285 25613
141 1 3 . 1 1 2 2 ILE HA H 2 4.066 4.066 4.204 -0.138 25613
142 1 3 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.513 -5.020 25613
143 1 3 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.127 -6.859 25613
144 1 3 . 1 1 2 2 ILE H H 2 8.541 8.541 8.461 0.080 25613
145 1 3 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.509 0.222 25613
146 1 3 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.981 -2.209 25613
147 1 3 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.404 0.192 25613
148 1 3 . 1 1 3 3 VAL H H 3 8.164 8.164 8.030 0.134 25613
149 1 3 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.953 0.338 25613
150 1 3 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.764 -2.688 25613
151 1 3 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.236 -1.453 25613
152 1 3 . 1 1 4 4 GLU H H 4 8.161 8.161 7.777 0.384 25613
153 1 3 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.043 0.082 25613
154 1 3 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.954 -0.371 25613
155 1 3 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.735 0.283 25613
156 1 3 . 1 1 5 5 GLN H H 5 8.290 8.290 8.019 0.271 25613
157 1 3 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.362 0.597 25613
158 1 3 . 1 1 6 6 CYS H H 6 8.369 8.369 8.207 0.162 25613
159 1 3 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.344 0.529 25613
160 1 3 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.786 12.031 25613
161 1 3 . 1 1 7 7 CYS H H 7 8.308 8.308 8.086 0.222 25613
162 1 3 . 1 1 8 8 THR HA H 8 4.110 4.110 4.320 -0.210 25613
163 1 3 . 1 1 8 8 THR CA C 8 64.398 64.398 63.716 0.682 25613
164 1 3 . 1 1 8 8 THR CB C 8 68.493 68.493 69.552 -1.059 25613
165 1 3 . 1 1 8 8 THR H H 8 8.233 8.233 8.227 0.006 25613
166 1 3 . 1 1 9 9 SER HA H 9 4.816 4.816 4.686 0.130 25613
167 1 3 . 1 1 9 9 SER CA C 9 55.989 55.989 56.639 -0.650 25613
168 1 3 . 1 1 9 9 SER CB C 9 64.007 64.007 64.793 -0.786 25613
169 1 3 . 1 1 9 9 SER H H 9 7.533 7.533 7.895 -0.362 25613
170 1 3 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.123 0.255 25613
171 1 3 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.736 -0.846 25613
172 1 3 . 1 1 10 10 ILE CB C 10 38.925 38.925 37.020 1.905 25613
173 1 3 . 1 1 10 10 ILE H H 10 7.876 7.876 8.340 -0.464 25613
174 1 3 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.657 0.309 25613
175 1 3 . 1 1 11 11 CYS H H 11 9.710 9.710 8.677 1.033 25613
176 1 3 . 1 1 12 12 SER HA H 12 4.635 4.635 4.655 -0.020 25613
177 1 3 . 1 1 12 12 SER CA C 12 56.435 56.435 57.313 -0.878 25613
178 1 3 . 1 1 12 12 SER CB C 12 65.596 65.596 64.579 1.017 25613
179 1 3 . 1 1 12 12 SER H H 12 8.799 8.799 9.209 -0.410 25613
180 1 3 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.801 0.087 25613
181 1 3 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.420 -0.191 25613
182 1 3 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.042 0.105 25613
183 1 3 . 1 1 13 13 LEU H H 13 8.652 8.652 8.271 0.381 25613
184 1 3 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.080 0.113 25613
185 1 3 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.302 -0.322 25613
186 1 3 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.462 1.159 25613
187 1 3 . 1 1 14 14 TYR H H 14 7.517 7.517 6.941 0.576 25613
188 1 3 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.874 0.141 25613
189 1 3 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.484 -0.022 25613
190 1 3 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.220 0.727 25613
191 1 3 . 1 1 15 15 GLN H H 15 7.581 7.581 7.618 -0.037 25613
192 1 3 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.558 0.647 25613
193 1 3 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.447 0.588 25613
194 1 3 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.683 0.184 25613
195 1 3 . 1 1 16 16 LEU H H 16 8.084 8.084 7.973 0.111 25613
196 1 3 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.007 0.220 25613
197 1 3 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.336 -1.666 25613
198 1 3 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.207 -0.231 25613
199 1 3 . 1 1 17 17 GLU H H 17 8.121 8.121 8.395 -0.273 25613
200 1 3 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.543 -0.023 25613
201 1 3 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.449 0.270 25613
202 1 3 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.196 0.183 25613
203 1 3 . 1 1 18 18 ASN H H 18 7.469 7.469 7.938 -0.469 25613
204 1 3 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.574 -0.046 25613
205 1 3 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.792 2.128 25613
206 1 3 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.648 0.624 25613
207 1 3 . 1 1 19 19 TYR H H 19 7.928 7.928 7.487 0.441 25613
208 1 3 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.840 0.127 25613
209 1 3 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.586 5.224 25613
210 1 3 . 1 1 20 20 CYS H H 20 7.484 7.484 7.706 -0.222 25613
211 1 4 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.968 0.098 25613
212 1 4 . 1 1 2 2 ILE CA C 2 57.493 57.493 60.836 -3.343 25613
213 1 4 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.366 -7.098 25613
214 1 4 . 1 1 2 2 ILE H H 2 8.541 8.541 8.361 0.180 25613
215 1 4 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.330 0.401 25613
216 1 4 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.031 -1.259 25613
217 1 4 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.481 0.115 25613
218 1 4 . 1 1 3 3 VAL H H 3 8.164 8.164 7.971 0.193 25613
219 1 4 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.939 0.352 25613
220 1 4 . 1 1 4 4 GLU CA C 4 57.076 57.076 60.003 -2.927 25613
221 1 4 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.239 -1.456 25613
222 1 4 . 1 1 4 4 GLU H H 4 8.161 8.161 7.904 0.257 25613
223 1 4 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.111 0.014 25613
224 1 4 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.741 -0.158 25613
225 1 4 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.532 0.486 25613
226 1 4 . 1 1 5 5 GLN H H 5 8.290 8.290 7.779 0.511 25613
227 1 4 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.338 0.621 25613
228 1 4 . 1 1 6 6 CYS H H 6 8.369 8.369 8.251 0.118 25613
229 1 4 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.394 0.479 25613
230 1 4 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.710 12.107 25613
231 1 4 . 1 1 7 7 CYS H H 7 8.308 8.308 8.204 0.104 25613
232 1 4 . 1 1 8 8 THR HA H 8 4.110 4.110 4.309 -0.199 25613
233 1 4 . 1 1 8 8 THR CA C 8 64.398 64.398 63.968 0.430 25613
234 1 4 . 1 1 8 8 THR CB C 8 68.493 68.493 69.424 -0.931 25613
235 1 4 . 1 1 8 8 THR H H 8 8.233 8.233 8.219 0.014 25613
236 1 4 . 1 1 9 9 SER HA H 9 4.816 4.816 4.675 0.141 25613
237 1 4 . 1 1 9 9 SER CA C 9 55.989 55.989 56.787 -0.798 25613
238 1 4 . 1 1 9 9 SER CB C 9 64.007 64.007 64.847 -0.841 25613
239 1 4 . 1 1 9 9 SER H H 9 7.533 7.533 7.860 -0.327 25613
240 1 4 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.130 0.248 25613
241 1 4 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.723 -0.832 25613
242 1 4 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.791 2.134 25613
243 1 4 . 1 1 10 10 ILE H H 10 7.876 7.876 8.316 -0.440 25613
244 1 4 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.774 0.192 25613
245 1 4 . 1 1 11 11 CYS H H 11 9.710 9.710 8.763 0.947 25613
246 1 4 . 1 1 12 12 SER HA H 12 4.635 4.635 4.568 0.067 25613
247 1 4 . 1 1 12 12 SER CA C 12 56.435 56.435 57.140 -0.705 25613
248 1 4 . 1 1 12 12 SER CB C 12 65.596 65.596 64.042 1.554 25613
249 1 4 . 1 1 12 12 SER H H 12 8.799 8.799 9.048 -0.249 25613
250 1 4 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.914 -0.026 25613
251 1 4 . 1 1 13 13 LEU CA C 13 58.229 58.229 57.558 0.671 25613
252 1 4 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.128 0.019 25613
253 1 4 . 1 1 13 13 LEU H H 13 8.652 8.652 8.031 0.621 25613
254 1 4 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.546 -0.353 25613
255 1 4 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.297 -0.317 25613
256 1 4 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.338 1.283 25613
257 1 4 . 1 1 14 14 TYR H H 14 7.517 7.517 6.922 0.595 25613
258 1 4 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.951 0.064 25613
259 1 4 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.697 -0.235 25613
260 1 4 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.095 0.852 25613
261 1 4 . 1 1 15 15 GLN H H 15 7.581 7.581 8.093 -0.512 25613
262 1 4 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.215 0.990 25613
263 1 4 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.252 0.783 25613
264 1 4 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.652 0.215 25613
265 1 4 . 1 1 16 16 LEU H H 16 8.084 8.084 7.866 0.218 25613
266 1 4 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.936 0.291 25613
267 1 4 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.441 -1.771 25613
268 1 4 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.242 -0.266 25613
269 1 4 . 1 1 17 17 GLU H H 17 8.121 8.121 8.236 -0.115 25613
270 1 4 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.569 -0.049 25613
271 1 4 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.614 0.105 25613
272 1 4 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.395 -0.016 25613
273 1 4 . 1 1 18 18 ASN H H 18 7.469 7.469 7.902 -0.433 25613
274 1 4 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.563 -0.035 25613
275 1 4 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.500 2.420 25613
276 1 4 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.898 0.374 25613
277 1 4 . 1 1 19 19 TYR H H 19 7.928 7.928 7.493 0.435 25613
278 1 4 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.827 0.140 25613
279 1 4 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.310 5.500 25613
280 1 4 . 1 1 20 20 CYS H H 20 7.484 7.484 7.716 -0.232 25613
281 1 5 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.775 0.291 25613
282 1 5 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.357 -4.864 25613
283 1 5 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.193 -6.925 25613
284 1 5 . 1 1 2 2 ILE H H 2 8.541 8.541 8.119 0.422 25613
285 1 5 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.400 0.331 25613
286 1 5 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.338 -1.566 25613
287 1 5 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.416 0.180 25613
288 1 5 . 1 1 3 3 VAL H H 3 8.164 8.164 7.998 0.166 25613
289 1 5 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.909 0.382 25613
290 1 5 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.727 -2.651 25613
291 1 5 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.335 -1.552 25613
292 1 5 . 1 1 4 4 GLU H H 4 8.161 8.161 7.810 0.351 25613
293 1 5 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.076 0.049 25613
294 1 5 . 1 1 5 5 GLN CA C 5 58.583 58.583 59.191 -0.608 25613
295 1 5 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.464 0.554 25613
296 1 5 . 1 1 5 5 GLN H H 5 8.290 8.290 7.653 0.637 25613
297 1 5 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.474 0.485 25613
298 1 5 . 1 1 6 6 CYS H H 6 8.369 8.369 8.050 0.319 25613
299 1 5 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.247 0.626 25613
300 1 5 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.534 12.283 25613
301 1 5 . 1 1 7 7 CYS H H 7 8.308 8.308 8.119 0.189 25613
302 1 5 . 1 1 8 8 THR HA H 8 4.110 4.110 4.270 -0.160 25613
303 1 5 . 1 1 8 8 THR CA C 8 64.398 64.398 64.029 0.369 25613
304 1 5 . 1 1 8 8 THR CB C 8 68.493 68.493 69.198 -0.705 25613
305 1 5 . 1 1 8 8 THR H H 8 8.233 8.233 8.339 -0.106 25613
306 1 5 . 1 1 9 9 SER HA H 9 4.816 4.816 4.648 0.168 25613
307 1 5 . 1 1 9 9 SER CA C 9 55.989 55.989 57.482 -1.493 25613
308 1 5 . 1 1 9 9 SER CB C 9 64.007 64.007 65.195 -1.188 25613
309 1 5 . 1 1 9 9 SER H H 9 7.533 7.533 7.776 -0.243 25613
310 1 5 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.072 0.306 25613
311 1 5 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.710 -0.819 25613
312 1 5 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.890 2.035 25613
313 1 5 . 1 1 10 10 ILE H H 10 7.876 7.876 8.327 -0.451 25613
314 1 5 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.447 0.519 25613
315 1 5 . 1 1 11 11 CYS H H 11 9.710 9.710 8.663 1.047 25613
316 1 5 . 1 1 12 12 SER HA H 12 4.635 4.635 4.417 0.218 25613
317 1 5 . 1 1 12 12 SER CA C 12 56.435 56.435 57.730 -1.295 25613
318 1 5 . 1 1 12 12 SER CB C 12 65.596 65.596 63.881 1.715 25613
319 1 5 . 1 1 12 12 SER H H 12 8.799 8.799 8.547 0.252 25613
320 1 5 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.816 0.072 25613
321 1 5 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.433 -0.204 25613
322 1 5 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.003 0.144 25613
323 1 5 . 1 1 13 13 LEU H H 13 8.652 8.652 8.373 0.279 25613
324 1 5 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.128 0.065 25613
325 1 5 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.620 -0.640 25613
326 1 5 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.566 1.054 25613
327 1 5 . 1 1 14 14 TYR H H 14 7.517 7.517 7.067 0.450 25613
328 1 5 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.902 0.113 25613
329 1 5 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.515 -0.053 25613
330 1 5 . 1 1 15 15 GLN CB C 15 28.947 28.947 27.989 0.958 25613
331 1 5 . 1 1 15 15 GLN H H 15 7.581 7.581 7.508 0.073 25613
332 1 5 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.662 0.543 25613
333 1 5 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.598 0.437 25613
334 1 5 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.628 0.239 25613
335 1 5 . 1 1 16 16 LEU H H 16 8.084 8.084 8.062 0.022 25613
336 1 5 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.961 0.266 25613
337 1 5 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.345 -1.675 25613
338 1 5 . 1 1 17 17 GLU CB C 17 28.976 28.976 28.929 0.047 25613
339 1 5 . 1 1 17 17 GLU H H 17 8.121 8.121 8.484 -0.363 25613
340 1 5 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.498 0.022 25613
341 1 5 . 1 1 18 18 ASN CA C 18 54.719 54.719 55.277 -0.558 25613
342 1 5 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.539 -0.160 25613
343 1 5 . 1 1 18 18 ASN H H 18 7.469 7.469 7.918 -0.449 25613
344 1 5 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.582 -0.054 25613
345 1 5 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.325 2.595 25613
346 1 5 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.645 0.627 25613
347 1 5 . 1 1 19 19 TYR H H 19 7.928 7.928 7.425 0.503 25613
348 1 5 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.859 0.108 25613
349 1 5 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.308 5.502 25613
350 1 5 . 1 1 20 20 CYS H H 20 7.484 7.484 7.858 -0.374 25613
351 1 6 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.942 0.124 25613
352 1 6 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.368 -4.875 25613
353 1 6 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.161 -6.893 25613
354 1 6 . 1 1 2 2 ILE H H 2 8.541 8.541 8.218 0.323 25613
355 1 6 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.513 0.218 25613
356 1 6 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.469 -1.697 25613
357 1 6 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.448 0.148 25613
358 1 6 . 1 1 3 3 VAL H H 3 8.164 8.164 8.009 0.155 25613
359 1 6 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.952 0.339 25613
360 1 6 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.702 -2.626 25613
361 1 6 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.250 -1.467 25613
362 1 6 . 1 1 4 4 GLU H H 4 8.161 8.161 7.834 0.327 25613
363 1 6 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.066 0.059 25613
364 1 6 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.851 -0.268 25613
365 1 6 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.791 0.227 25613
366 1 6 . 1 1 5 5 GLN H H 5 8.290 8.290 7.978 0.312 25613
367 1 6 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.334 0.625 25613
368 1 6 . 1 1 6 6 CYS H H 6 8.369 8.369 8.306 0.063 25613
369 1 6 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.269 0.604 25613
370 1 6 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.669 12.148 25613
371 1 6 . 1 1 7 7 CYS H H 7 8.308 8.308 8.059 0.249 25613
372 1 6 . 1 1 8 8 THR HA H 8 4.110 4.110 4.271 -0.161 25613
373 1 6 . 1 1 8 8 THR CA C 8 64.398 64.398 64.003 0.395 25613
374 1 6 . 1 1 8 8 THR CB C 8 68.493 68.493 69.506 -1.013 25613
375 1 6 . 1 1 8 8 THR H H 8 8.233 8.233 8.185 0.048 25613
376 1 6 . 1 1 9 9 SER HA H 9 4.816 4.816 4.665 0.151 25613
377 1 6 . 1 1 9 9 SER CA C 9 55.989 55.989 56.801 -0.812 25613
378 1 6 . 1 1 9 9 SER CB C 9 64.007 64.007 64.721 -0.714 25613
379 1 6 . 1 1 9 9 SER H H 9 7.533 7.533 7.999 -0.466 25613
380 1 6 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.158 0.220 25613
381 1 6 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.756 -0.865 25613
382 1 6 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.731 2.194 25613
383 1 6 . 1 1 10 10 ILE H H 10 7.876 7.876 8.267 -0.391 25613
384 1 6 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.596 0.370 25613
385 1 6 . 1 1 11 11 CYS H H 11 9.710 9.710 8.823 0.887 25613
386 1 6 . 1 1 12 12 SER HA H 12 4.635 4.635 4.651 -0.016 25613
387 1 6 . 1 1 12 12 SER CA C 12 56.435 56.435 57.421 -0.986 25613
388 1 6 . 1 1 12 12 SER CB C 12 65.596 65.596 65.647 -0.051 25613
389 1 6 . 1 1 12 12 SER H H 12 8.799 8.799 8.226 0.573 25613
390 1 6 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.921 -0.033 25613
391 1 6 . 1 1 13 13 LEU CA C 13 58.229 58.229 57.337 0.892 25613
392 1 6 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.896 0.251 25613
393 1 6 . 1 1 13 13 LEU H H 13 8.652 8.652 8.181 0.471 25613
394 1 6 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.532 -0.339 25613
395 1 6 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.379 -0.399 25613
396 1 6 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.456 1.165 25613
397 1 6 . 1 1 14 14 TYR H H 14 7.517 7.517 7.057 0.460 25613
398 1 6 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.947 0.068 25613
399 1 6 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.796 -0.334 25613
400 1 6 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.118 0.829 25613
401 1 6 . 1 1 15 15 GLN H H 15 7.581 7.581 8.184 -0.603 25613
402 1 6 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.177 1.028 25613
403 1 6 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.339 0.696 25613
404 1 6 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.485 0.382 25613
405 1 6 . 1 1 16 16 LEU H H 16 8.084 8.084 7.880 0.204 25613
406 1 6 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.012 0.215 25613
407 1 6 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.152 -1.482 25613
408 1 6 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.372 -0.396 25613
409 1 6 . 1 1 17 17 GLU H H 17 8.121 8.121 8.258 -0.137 25613
410 1 6 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.583 -0.063 25613
411 1 6 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.708 0.011 25613
412 1 6 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.465 -0.086 25613
413 1 6 . 1 1 18 18 ASN H H 18 7.469 7.469 7.926 -0.457 25613
414 1 6 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.528 0.000 25613
415 1 6 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.076 1.844 25613
416 1 6 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.851 0.421 25613
417 1 6 . 1 1 19 19 TYR H H 19 7.928 7.928 7.585 0.343 25613
418 1 6 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.944 0.023 25613
419 1 6 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.053 5.756 25613
420 1 6 . 1 1 20 20 CYS H H 20 7.484 7.484 7.676 -0.192 25613
421 1 7 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.971 0.095 25613
422 1 7 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.715 -5.223 25613
423 1 7 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.073 -6.805 25613
424 1 7 . 1 1 2 2 ILE H H 2 8.541 8.541 8.221 0.320 25613
425 1 7 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.516 0.215 25613
426 1 7 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.586 -1.814 25613
427 1 7 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.398 0.198 25613
428 1 7 . 1 1 3 3 VAL H H 3 8.164 8.164 8.030 0.134 25613
429 1 7 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.981 0.310 25613
430 1 7 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.671 -2.595 25613
431 1 7 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.329 -1.546 25613
432 1 7 . 1 1 4 4 GLU H H 4 8.161 8.161 8.493 -0.332 25613
433 1 7 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.080 0.045 25613
434 1 7 . 1 1 5 5 GLN CA C 5 58.583 58.583 59.072 -0.489 25613
435 1 7 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.530 0.488 25613
436 1 7 . 1 1 5 5 GLN H H 5 8.290 8.290 8.088 0.202 25613
437 1 7 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.283 0.676 25613
438 1 7 . 1 1 6 6 CYS H H 6 8.369 8.369 8.204 0.165 25613
439 1 7 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.252 0.621 25613
440 1 7 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.417 12.400 25613
441 1 7 . 1 1 7 7 CYS H H 7 8.308 8.308 8.175 0.133 25613
442 1 7 . 1 1 8 8 THR HA H 8 4.110 4.110 4.316 -0.206 25613
443 1 7 . 1 1 8 8 THR CA C 8 64.398 64.398 64.074 0.324 25613
444 1 7 . 1 1 8 8 THR CB C 8 68.493 68.493 69.222 -0.729 25613
445 1 7 . 1 1 8 8 THR H H 8 8.233 8.233 8.220 0.013 25613
446 1 7 . 1 1 9 9 SER HA H 9 4.816 4.816 4.651 0.165 25613
447 1 7 . 1 1 9 9 SER CA C 9 55.989 55.989 57.187 -1.198 25613
448 1 7 . 1 1 9 9 SER CB C 9 64.007 64.007 65.697 -1.690 25613
449 1 7 . 1 1 9 9 SER H H 9 7.533 7.533 8.101 -0.568 25613
450 1 7 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.139 0.239 25613
451 1 7 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.656 -0.765 25613
452 1 7 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.512 2.413 25613
453 1 7 . 1 1 10 10 ILE H H 10 7.876 7.876 8.337 -0.461 25613
454 1 7 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.736 0.230 25613
455 1 7 . 1 1 11 11 CYS H H 11 9.710 9.710 8.604 1.106 25613
456 1 7 . 1 1 12 12 SER HA H 12 4.635 4.635 4.592 0.043 25613
457 1 7 . 1 1 12 12 SER CA C 12 56.435 56.435 57.376 -0.941 25613
458 1 7 . 1 1 12 12 SER CB C 12 65.596 65.596 64.260 1.336 25613
459 1 7 . 1 1 12 12 SER H H 12 8.799 8.799 9.414 -0.615 25613
460 1 7 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.838 0.050 25613
461 1 7 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.184 0.045 25613
462 1 7 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.154 -0.007 25613
463 1 7 . 1 1 13 13 LEU H H 13 8.652 8.652 8.289 0.363 25613
464 1 7 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.113 0.080 25613
465 1 7 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.543 -0.563 25613
466 1 7 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.618 1.003 25613
467 1 7 . 1 1 14 14 TYR H H 14 7.517 7.517 6.979 0.538 25613
468 1 7 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.869 0.146 25613
469 1 7 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.419 0.043 25613
470 1 7 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.176 0.771 25613
471 1 7 . 1 1 15 15 GLN H H 15 7.581 7.581 7.491 0.090 25613
472 1 7 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.540 0.665 25613
473 1 7 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.297 0.738 25613
474 1 7 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.719 0.148 25613
475 1 7 . 1 1 16 16 LEU H H 16 8.084 8.084 7.882 0.202 25613
476 1 7 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.028 0.199 25613
477 1 7 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.151 -1.480 25613
478 1 7 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.130 -0.154 25613
479 1 7 . 1 1 17 17 GLU H H 17 8.121 8.121 8.271 -0.150 25613
480 1 7 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.559 -0.039 25613
481 1 7 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.276 0.443 25613
482 1 7 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.308 0.071 25613
483 1 7 . 1 1 18 18 ASN H H 18 7.469 7.469 7.916 -0.447 25613
484 1 7 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.614 -0.086 25613
485 1 7 . 1 1 19 19 TYR CA C 19 58.920 58.920 55.999 2.921 25613
486 1 7 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.687 0.585 25613
487 1 7 . 1 1 19 19 TYR H H 19 7.928 7.928 7.361 0.567 25613
488 1 7 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.657 0.310 25613
489 1 7 . 1 1 20 20 CYS CB C 20 35.810 35.810 28.620 7.190 25613
490 1 7 . 1 1 20 20 CYS H H 20 7.484 7.484 7.633 -0.149 25613
491 1 8 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.989 0.077 25613
492 1 8 . 1 1 2 2 ILE CA C 2 57.493 57.493 61.733 -4.240 25613
493 1 8 . 1 1 2 2 ILE CB C 2 31.268 31.268 37.983 -6.715 25613
494 1 8 . 1 1 2 2 ILE H H 2 8.541 8.541 8.178 0.363 25613
495 1 8 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.500 0.231 25613
496 1 8 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.472 -1.700 25613
497 1 8 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.427 0.170 25613
498 1 8 . 1 1 3 3 VAL H H 3 8.164 8.164 8.012 0.152 25613
499 1 8 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.906 0.385 25613
500 1 8 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.754 -2.678 25613
501 1 8 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.340 -1.557 25613
502 1 8 . 1 1 4 4 GLU H H 4 8.161 8.161 7.753 0.408 25613
503 1 8 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.108 0.017 25613
504 1 8 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.460 0.123 25613
505 1 8 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.255 0.763 25613
506 1 8 . 1 1 5 5 GLN H H 5 8.290 8.290 7.768 0.522 25613
507 1 8 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.349 0.610 25613
508 1 8 . 1 1 6 6 CYS H H 6 8.369 8.369 8.395 -0.026 25613
509 1 8 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.272 0.601 25613
510 1 8 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.490 12.327 25613
511 1 8 . 1 1 7 7 CYS H H 7 8.308 8.308 8.167 0.141 25613
512 1 8 . 1 1 8 8 THR HA H 8 4.110 4.110 4.308 -0.198 25613
513 1 8 . 1 1 8 8 THR CA C 8 64.398 64.398 64.215 0.183 25613
514 1 8 . 1 1 8 8 THR CB C 8 68.493 68.493 69.226 -0.733 25613
515 1 8 . 1 1 8 8 THR H H 8 8.233 8.233 8.289 -0.056 25613
516 1 8 . 1 1 9 9 SER HA H 9 4.816 4.816 4.674 0.142 25613
517 1 8 . 1 1 9 9 SER CA C 9 55.989 55.989 57.088 -1.099 25613
518 1 8 . 1 1 9 9 SER CB C 9 64.007 64.007 65.757 -1.750 25613
519 1 8 . 1 1 9 9 SER H H 9 7.533 7.533 8.168 -0.635 25613
520 1 8 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.167 0.211 25613
521 1 8 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.636 -0.745 25613
522 1 8 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.439 2.486 25613
523 1 8 . 1 1 10 10 ILE H H 10 7.876 7.876 8.308 -0.432 25613
524 1 8 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.490 0.476 25613
525 1 8 . 1 1 11 11 CYS H H 11 9.710 9.710 8.851 0.859 25613
526 1 8 . 1 1 12 12 SER HA H 12 4.635 4.635 4.649 -0.014 25613
527 1 8 . 1 1 12 12 SER CA C 12 56.435 56.435 57.077 -0.642 25613
528 1 8 . 1 1 12 12 SER CB C 12 65.596 65.596 65.240 0.356 25613
529 1 8 . 1 1 12 12 SER H H 12 8.799 8.799 8.178 0.621 25613
530 1 8 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.760 0.128 25613
531 1 8 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.173 0.056 25613
532 1 8 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.926 0.221 25613
533 1 8 . 1 1 13 13 LEU H H 13 8.652 8.652 8.419 0.233 25613
534 1 8 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.359 -0.166 25613
535 1 8 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.161 -0.181 25613
536 1 8 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.739 0.882 25613
537 1 8 . 1 1 14 14 TYR H H 14 7.517 7.517 7.121 0.396 25613
538 1 8 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.930 0.085 25613
539 1 8 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.456 0.006 25613
540 1 8 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.408 0.539 25613
541 1 8 . 1 1 15 15 GLN H H 15 7.581 7.581 7.496 0.085 25613
542 1 8 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.288 0.917 25613
543 1 8 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.407 0.628 25613
544 1 8 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.594 0.273 25613
545 1 8 . 1 1 16 16 LEU H H 16 8.084 8.084 7.995 0.089 25613
546 1 8 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.920 0.307 25613
547 1 8 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.521 -1.851 25613
548 1 8 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.244 -0.268 25613
549 1 8 . 1 1 17 17 GLU H H 17 8.121 8.121 8.542 -0.421 25613
550 1 8 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.533 -0.013 25613
551 1 8 . 1 1 18 18 ASN CA C 18 54.719 54.719 55.351 -0.632 25613
552 1 8 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.642 -0.262 25613
553 1 8 . 1 1 18 18 ASN H H 18 7.469 7.469 7.891 -0.422 25613
554 1 8 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.582 -0.054 25613
555 1 8 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.307 2.613 25613
556 1 8 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.848 0.424 25613
557 1 8 . 1 1 19 19 TYR H H 19 7.928 7.928 7.450 0.478 25613
558 1 8 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.856 0.111 25613
559 1 8 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.348 5.462 25613
560 1 8 . 1 1 20 20 CYS H H 20 7.484 7.484 7.684 -0.200 25613
561 1 9 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.957 0.109 25613
562 1 9 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.476 -4.983 25613
563 1 9 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.032 -6.764 25613
564 1 9 . 1 1 2 2 ILE H H 2 8.541 8.541 8.189 0.352 25613
565 1 9 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.508 0.223 25613
566 1 9 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.618 -1.846 25613
567 1 9 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.509 0.087 25613
568 1 9 . 1 1 3 3 VAL H H 3 8.164 8.164 7.963 0.201 25613
569 1 9 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.923 0.368 25613
570 1 9 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.767 -2.692 25613
571 1 9 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.234 -1.451 25613
572 1 9 . 1 1 4 4 GLU H H 4 8.161 8.161 7.845 0.316 25613
573 1 9 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.048 0.077 25613
574 1 9 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.867 -0.284 25613
575 1 9 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.683 0.335 25613
576 1 9 . 1 1 5 5 GLN H H 5 8.290 8.290 7.780 0.510 25613
577 1 9 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.343 0.617 25613
578 1 9 . 1 1 6 6 CYS H H 6 8.369 8.369 8.326 0.043 25613
579 1 9 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.340 0.533 25613
580 1 9 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.841 11.976 25613
581 1 9 . 1 1 7 7 CYS H H 7 8.308 8.308 8.324 -0.016 25613
582 1 9 . 1 1 8 8 THR HA H 8 4.110 4.110 4.262 -0.152 25613
583 1 9 . 1 1 8 8 THR CA C 8 64.398 64.398 64.021 0.377 25613
584 1 9 . 1 1 8 8 THR CB C 8 68.493 68.493 69.112 -0.619 25613
585 1 9 . 1 1 8 8 THR H H 8 8.233 8.233 8.381 -0.148 25613
586 1 9 . 1 1 9 9 SER HA H 9 4.816 4.816 4.691 0.125 25613
587 1 9 . 1 1 9 9 SER CA C 9 55.989 55.989 56.979 -0.990 25613
588 1 9 . 1 1 9 9 SER CB C 9 64.007 64.007 65.966 -1.959 25613
589 1 9 . 1 1 9 9 SER H H 9 7.533 7.533 8.253 -0.720 25613
590 1 9 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.227 0.151 25613
591 1 9 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.584 -0.693 25613
592 1 9 . 1 1 10 10 ILE CB C 10 38.925 38.925 38.720 0.205 25613
593 1 9 . 1 1 10 10 ILE H H 10 7.876 7.876 8.245 -0.369 25613
594 1 9 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.584 0.382 25613
595 1 9 . 1 1 11 11 CYS H H 11 9.710 9.710 8.848 0.862 25613
596 1 9 . 1 1 12 12 SER HA H 12 4.635 4.635 4.644 -0.009 25613
597 1 9 . 1 1 12 12 SER CA C 12 56.435 56.435 57.389 -0.954 25613
598 1 9 . 1 1 12 12 SER CB C 12 65.596 65.596 65.482 0.114 25613
599 1 9 . 1 1 12 12 SER H H 12 8.799 8.799 8.167 0.632 25613
600 1 9 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.706 0.182 25613
601 1 9 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.259 -0.030 25613
602 1 9 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.851 0.296 25613
603 1 9 . 1 1 13 13 LEU H H 13 8.652 8.652 8.375 0.277 25613
604 1 9 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.119 0.074 25613
605 1 9 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.652 -0.672 25613
606 1 9 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.723 0.898 25613
607 1 9 . 1 1 14 14 TYR H H 14 7.517 7.517 6.802 0.715 25613
608 1 9 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.858 0.157 25613
609 1 9 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.752 -0.290 25613
610 1 9 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.288 0.659 25613
611 1 9 . 1 1 15 15 GLN H H 15 7.581 7.581 7.639 -0.058 25613
612 1 9 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.386 0.819 25613
613 1 9 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.418 0.617 25613
614 1 9 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.891 -0.023 25613
615 1 9 . 1 1 16 16 LEU H H 16 8.084 8.084 7.975 0.109 25613
616 1 9 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.024 0.203 25613
617 1 9 . 1 1 17 17 GLU CA C 17 57.670 57.670 58.506 -0.836 25613
618 1 9 . 1 1 17 17 GLU CB C 17 28.976 28.976 28.852 0.124 25613
619 1 9 . 1 1 17 17 GLU H H 17 8.121 8.121 8.462 -0.341 25613
620 1 9 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.524 -0.004 25613
621 1 9 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.995 -0.276 25613
622 1 9 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.435 -0.056 25613
623 1 9 . 1 1 18 18 ASN H H 18 7.469 7.469 7.840 -0.371 25613
624 1 9 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.564 -0.036 25613
625 1 9 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.422 2.498 25613
626 1 9 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.798 0.474 25613
627 1 9 . 1 1 19 19 TYR H H 19 7.928 7.928 7.479 0.449 25613
628 1 9 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.771 0.196 25613
629 1 9 . 1 1 20 20 CYS CB C 20 35.810 35.810 28.745 7.064 25613
630 1 9 . 1 1 20 20 CYS H H 20 7.484 7.484 7.681 -0.197 25613
631 1 10 . 1 1 2 2 ILE HA H 2 4.066 4.066 4.207 -0.141 25613
632 1 10 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.252 -4.759 25613
633 1 10 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.042 -6.774 25613
634 1 10 . 1 1 2 2 ILE H H 2 8.541 8.541 8.325 0.216 25613
635 1 10 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.518 0.213 25613
636 1 10 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.620 -1.848 25613
637 1 10 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.384 0.212 25613
638 1 10 . 1 1 3 3 VAL H H 3 8.164 8.164 8.152 0.012 25613
639 1 10 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.933 0.358 25613
640 1 10 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.659 -2.583 25613
641 1 10 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.321 -1.538 25613
642 1 10 . 1 1 4 4 GLU H H 4 8.161 8.161 7.800 0.361 25613
643 1 10 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.085 0.040 25613
644 1 10 . 1 1 5 5 GLN CA C 5 58.583 58.583 59.296 -0.713 25613
645 1 10 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.730 0.287 25613
646 1 10 . 1 1 5 5 GLN H H 5 8.290 8.290 7.714 0.576 25613
647 1 10 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.413 0.546 25613
648 1 10 . 1 1 6 6 CYS H H 6 8.369 8.369 8.146 0.223 25613
649 1 10 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.337 0.536 25613
650 1 10 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.966 11.851 25613
651 1 10 . 1 1 7 7 CYS H H 7 8.308 8.308 8.086 0.222 25613
652 1 10 . 1 1 8 8 THR HA H 8 4.110 4.110 4.319 -0.209 25613
653 1 10 . 1 1 8 8 THR CA C 8 64.398 64.398 63.275 1.123 25613
654 1 10 . 1 1 8 8 THR CB C 8 68.493 68.493 69.428 -0.935 25613
655 1 10 . 1 1 8 8 THR H H 8 8.233 8.233 8.103 0.130 25613
656 1 10 . 1 1 9 9 SER HA H 9 4.816 4.816 4.687 0.129 25613
657 1 10 . 1 1 9 9 SER CA C 9 55.989 55.989 56.805 -0.816 25613
658 1 10 . 1 1 9 9 SER CB C 9 64.007 64.007 64.929 -0.922 25613
659 1 10 . 1 1 9 9 SER H H 9 7.533 7.533 8.178 -0.645 25613
660 1 10 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.148 0.230 25613
661 1 10 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.730 -0.839 25613
662 1 10 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.823 2.102 25613
663 1 10 . 1 1 10 10 ILE H H 10 7.876 7.876 8.327 -0.451 25613
664 1 10 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.617 0.349 25613
665 1 10 . 1 1 11 11 CYS H H 11 9.710 9.710 8.760 0.950 25613
666 1 10 . 1 1 12 12 SER HA H 12 4.635 4.635 4.566 0.069 25613
667 1 10 . 1 1 12 12 SER CA C 12 56.435 56.435 57.284 -0.849 25613
668 1 10 . 1 1 12 12 SER CB C 12 65.596 65.596 65.388 0.208 25613
669 1 10 . 1 1 12 12 SER H H 12 8.799 8.799 8.197 0.602 25613
670 1 10 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.790 0.098 25613
671 1 10 . 1 1 13 13 LEU CA C 13 58.229 58.229 57.964 0.265 25613
672 1 10 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.935 0.212 25613
673 1 10 . 1 1 13 13 LEU H H 13 8.652 8.652 8.439 0.213 25613
674 1 10 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.081 0.112 25613
675 1 10 . 1 1 14 14 TYR CA C 14 59.980 59.980 59.861 0.119 25613
676 1 10 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.367 1.254 25613
677 1 10 . 1 1 14 14 TYR H H 14 7.517 7.517 7.245 0.272 25613
678 1 10 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.891 0.124 25613
679 1 10 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.385 0.077 25613
680 1 10 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.431 0.516 25613
681 1 10 . 1 1 15 15 GLN H H 15 7.581 7.581 7.429 0.152 25613
682 1 10 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.380 0.825 25613
683 1 10 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.519 0.516 25613
684 1 10 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.556 0.311 25613
685 1 10 . 1 1 16 16 LEU H H 16 8.084 8.084 8.031 0.053 25613
686 1 10 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.983 0.244 25613
687 1 10 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.442 -1.772 25613
688 1 10 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.142 -0.166 25613
689 1 10 . 1 1 17 17 GLU H H 17 8.121 8.121 8.333 -0.212 25613
690 1 10 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.562 -0.042 25613
691 1 10 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.318 0.401 25613
692 1 10 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.269 0.110 25613
693 1 10 . 1 1 18 18 ASN H H 18 7.469 7.469 7.825 -0.356 25613
694 1 10 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.606 -0.078 25613
695 1 10 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.503 2.417 25613
696 1 10 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.706 0.566 25613
697 1 10 . 1 1 19 19 TYR H H 19 7.928 7.928 7.529 0.399 25613
698 1 10 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.841 0.126 25613
699 1 10 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.145 5.665 25613
700 1 10 . 1 1 20 20 CYS H H 20 7.484 7.484 7.702 -0.218 25613
701 1 11 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.852 0.214 25613
702 1 11 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.635 -5.142 25613
703 1 11 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.168 -6.900 25613
704 1 11 . 1 1 2 2 ILE H H 2 8.541 8.541 8.160 0.381 25613
705 1 11 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.582 0.149 25613
706 1 11 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.491 -1.719 25613
707 1 11 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.139 0.457 25613
708 1 11 . 1 1 3 3 VAL H H 3 8.164 8.164 8.194 -0.030 25613
709 1 11 . 1 1 4 4 GLU HA H 4 4.291 4.291 4.021 0.270 25613
710 1 11 . 1 1 4 4 GLU CA C 4 57.076 57.076 58.944 -1.868 25613
711 1 11 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.654 -0.871 25613
712 1 11 . 1 1 4 4 GLU H H 4 8.161 8.161 7.926 0.235 25613
713 1 11 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.101 0.024 25613
714 1 11 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.823 -0.240 25613
715 1 11 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.807 0.211 25613
716 1 11 . 1 1 5 5 GLN H H 5 8.290 8.290 7.664 0.626 25613
717 1 11 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.430 0.529 25613
718 1 11 . 1 1 6 6 CYS H H 6 8.369 8.369 8.061 0.308 25613
719 1 11 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.345 0.528 25613
720 1 11 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.965 11.852 25613
721 1 11 . 1 1 7 7 CYS H H 7 8.308 8.308 8.092 0.216 25613
722 1 11 . 1 1 8 8 THR HA H 8 4.110 4.110 4.247 -0.137 25613
723 1 11 . 1 1 8 8 THR CA C 8 64.398 64.398 63.807 0.591 25613
724 1 11 . 1 1 8 8 THR CB C 8 68.493 68.493 69.281 -0.788 25613
725 1 11 . 1 1 8 8 THR H H 8 8.233 8.233 8.140 0.093 25613
726 1 11 . 1 1 9 9 SER HA H 9 4.816 4.816 4.702 0.114 25613
727 1 11 . 1 1 9 9 SER CA C 9 55.989 55.989 56.757 -0.768 25613
728 1 11 . 1 1 9 9 SER CB C 9 64.007 64.007 65.045 -1.038 25613
729 1 11 . 1 1 9 9 SER H H 9 7.533 7.533 7.977 -0.444 25613
730 1 11 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.192 0.186 25613
731 1 11 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.744 -0.853 25613
732 1 11 . 1 1 10 10 ILE CB C 10 38.925 38.925 37.112 1.813 25613
733 1 11 . 1 1 10 10 ILE H H 10 7.876 7.876 8.304 -0.428 25613
734 1 11 . 1 1 11 11 CYS HA H 11 4.966 4.966 5.243 -0.277 25613
735 1 11 . 1 1 11 11 CYS H H 11 9.710 9.710 8.711 0.999 25613
736 1 11 . 1 1 12 12 SER HA H 12 4.635 4.635 4.693 -0.058 25613
737 1 11 . 1 1 12 12 SER CA C 12 56.435 56.435 56.533 -0.098 25613
738 1 11 . 1 1 12 12 SER CB C 12 65.596 65.596 64.237 1.359 25613
739 1 11 . 1 1 12 12 SER H H 12 8.799 8.799 8.747 0.052 25613
740 1 11 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.903 -0.015 25613
741 1 11 . 1 1 13 13 LEU CA C 13 58.229 58.229 57.892 0.338 25613
742 1 11 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.436 0.711 25613
743 1 11 . 1 1 13 13 LEU H H 13 8.652 8.652 8.516 0.136 25613
744 1 11 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.198 -0.005 25613
745 1 11 . 1 1 14 14 TYR CA C 14 59.980 59.980 61.117 -1.137 25613
746 1 11 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.349 1.272 25613
747 1 11 . 1 1 14 14 TYR H H 14 7.517 7.517 7.477 0.040 25613
748 1 11 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.899 0.116 25613
749 1 11 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.718 -0.256 25613
750 1 11 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.142 0.805 25613
751 1 11 . 1 1 15 15 GLN H H 15 7.581 7.581 8.319 -0.738 25613
752 1 11 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.406 0.799 25613
753 1 11 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.485 0.550 25613
754 1 11 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.691 0.176 25613
755 1 11 . 1 1 16 16 LEU H H 16 8.084 8.084 8.012 0.072 25613
756 1 11 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.960 0.267 25613
757 1 11 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.367 -1.697 25613
758 1 11 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.356 -0.380 25613
759 1 11 . 1 1 17 17 GLU H H 17 8.121 8.121 8.331 -0.210 25613
760 1 11 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.549 -0.029 25613
761 1 11 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.544 0.175 25613
762 1 11 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.221 0.158 25613
763 1 11 . 1 1 18 18 ASN H H 18 7.469 7.469 7.881 -0.412 25613
764 1 11 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.579 -0.051 25613
765 1 11 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.459 2.461 25613
766 1 11 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.574 0.698 25613
767 1 11 . 1 1 19 19 TYR H H 19 7.928 7.928 7.430 0.498 25613
768 1 11 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.846 0.121 25613
769 1 11 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.523 5.287 25613
770 1 11 . 1 1 20 20 CYS H H 20 7.484 7.484 7.733 -0.249 25613
771 1 12 . 1 1 2 2 ILE HA H 2 4.066 4.066 4.085 -0.019 25613
772 1 12 . 1 1 2 2 ILE CA C 2 57.493 57.493 61.418 -3.925 25613
773 1 12 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.240 -6.972 25613
774 1 12 . 1 1 2 2 ILE H H 2 8.541 8.541 8.074 0.467 25613
775 1 12 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.546 0.185 25613
776 1 12 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.313 -1.541 25613
777 1 12 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.190 0.406 25613
778 1 12 . 1 1 3 3 VAL H H 3 8.164 8.164 8.098 0.066 25613
779 1 12 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.965 0.326 25613
780 1 12 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.307 -2.231 25613
781 1 12 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.739 -0.956 25613
782 1 12 . 1 1 4 4 GLU H H 4 8.161 8.161 8.466 -0.305 25613
783 1 12 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.149 -0.024 25613
784 1 12 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.560 0.023 25613
785 1 12 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.760 0.258 25613
786 1 12 . 1 1 5 5 GLN H H 5 8.290 8.290 7.437 0.853 25613
787 1 12 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.250 0.709 25613
788 1 12 . 1 1 6 6 CYS H H 6 8.369 8.369 8.055 0.314 25613
789 1 12 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.244 0.629 25613
790 1 12 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.539 12.278 25613
791 1 12 . 1 1 7 7 CYS H H 7 8.308 8.308 8.087 0.221 25613
792 1 12 . 1 1 8 8 THR HA H 8 4.110 4.110 4.224 -0.114 25613
793 1 12 . 1 1 8 8 THR CA C 8 64.398 64.398 63.871 0.527 25613
794 1 12 . 1 1 8 8 THR CB C 8 68.493 68.493 69.168 -0.675 25613
795 1 12 . 1 1 8 8 THR H H 8 8.233 8.233 8.114 0.119 25613
796 1 12 . 1 1 9 9 SER HA H 9 4.816 4.816 4.673 0.143 25613
797 1 12 . 1 1 9 9 SER CA C 9 55.989 55.989 56.793 -0.804 25613
798 1 12 . 1 1 9 9 SER CB C 9 64.007 64.007 64.865 -0.858 25613
799 1 12 . 1 1 9 9 SER H H 9 7.533 7.533 7.791 -0.258 25613
800 1 12 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.133 0.245 25613
801 1 12 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.626 -0.735 25613
802 1 12 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.681 2.244 25613
803 1 12 . 1 1 10 10 ILE H H 10 7.876 7.876 8.321 -0.445 25613
804 1 12 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.558 0.408 25613
805 1 12 . 1 1 11 11 CYS H H 11 9.710 9.710 8.912 0.797 25613
806 1 12 . 1 1 12 12 SER HA H 12 4.635 4.635 4.640 -0.005 25613
807 1 12 . 1 1 12 12 SER CA C 12 56.435 56.435 57.444 -1.009 25613
808 1 12 . 1 1 12 12 SER CB C 12 65.596 65.596 65.478 0.117 25613
809 1 12 . 1 1 12 12 SER H H 12 8.799 8.799 8.158 0.641 25613
810 1 12 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.748 0.140 25613
811 1 12 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.117 0.112 25613
812 1 12 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.956 0.191 25613
813 1 12 . 1 1 13 13 LEU H H 13 8.652 8.652 8.482 0.170 25613
814 1 12 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.052 0.141 25613
815 1 12 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.646 -0.666 25613
816 1 12 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.471 1.150 25613
817 1 12 . 1 1 14 14 TYR H H 14 7.517 7.517 7.326 0.191 25613
818 1 12 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.894 0.121 25613
819 1 12 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.799 -0.337 25613
820 1 12 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.059 0.888 25613
821 1 12 . 1 1 15 15 GLN H H 15 7.581 7.581 8.305 -0.724 25613
822 1 12 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.409 0.796 25613
823 1 12 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.352 0.683 25613
824 1 12 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.678 0.189 25613
825 1 12 . 1 1 16 16 LEU H H 16 8.084 8.084 8.012 0.072 25613
826 1 12 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.037 0.190 25613
827 1 12 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.163 -1.493 25613
828 1 12 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.078 -0.102 25613
829 1 12 . 1 1 17 17 GLU H H 17 8.121 8.121 8.203 -0.082 25613
830 1 12 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.559 -0.039 25613
831 1 12 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.489 0.230 25613
832 1 12 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.282 0.097 25613
833 1 12 . 1 1 18 18 ASN H H 18 7.469 7.469 7.891 -0.422 25613
834 1 12 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.584 -0.056 25613
835 1 12 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.752 2.168 25613
836 1 12 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.806 0.466 25613
837 1 12 . 1 1 19 19 TYR H H 19 7.928 7.928 7.571 0.357 25613
838 1 12 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.950 0.017 25613
839 1 12 . 1 1 20 20 CYS CB C 20 35.810 35.810 29.814 5.996 25613
840 1 12 . 1 1 20 20 CYS H H 20 7.484 7.484 7.623 -0.139 25613
841 1 13 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.972 0.094 25613
842 1 13 . 1 1 2 2 ILE CA C 2 57.493 57.493 61.901 -4.408 25613
843 1 13 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.523 -7.255 25613
844 1 13 . 1 1 2 2 ILE H H 2 8.541 8.541 8.258 0.283 25613
845 1 13 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.554 0.177 25613
846 1 13 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.652 -1.880 25613
847 1 13 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.315 0.281 25613
848 1 13 . 1 1 3 3 VAL H H 3 8.164 8.164 8.092 0.072 25613
849 1 13 . 1 1 4 4 GLU HA H 4 4.291 4.291 4.024 0.267 25613
850 1 13 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.240 -2.164 25613
851 1 13 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.881 -1.098 25613
852 1 13 . 1 1 4 4 GLU H H 4 8.161 8.161 8.726 -0.565 25613
853 1 13 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.118 0.007 25613
854 1 13 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.577 0.006 25613
855 1 13 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.787 0.231 25613
856 1 13 . 1 1 5 5 GLN H H 5 8.290 8.290 7.610 0.680 25613
857 1 13 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.339 0.620 25613
858 1 13 . 1 1 6 6 CYS H H 6 8.369 8.369 8.179 0.190 25613
859 1 13 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.303 0.570 25613
860 1 13 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.686 12.131 25613
861 1 13 . 1 1 7 7 CYS H H 7 8.308 8.308 8.163 0.145 25613
862 1 13 . 1 1 8 8 THR HA H 8 4.110 4.110 4.288 -0.178 25613
863 1 13 . 1 1 8 8 THR CA C 8 64.398 64.398 64.175 0.223 25613
864 1 13 . 1 1 8 8 THR CB C 8 68.493 68.493 69.490 -0.997 25613
865 1 13 . 1 1 8 8 THR H H 8 8.233 8.233 8.140 0.093 25613
866 1 13 . 1 1 9 9 SER HA H 9 4.816 4.816 4.681 0.135 25613
867 1 13 . 1 1 9 9 SER CA C 9 55.989 55.989 56.866 -0.877 25613
868 1 13 . 1 1 9 9 SER CB C 9 64.007 64.007 64.933 -0.926 25613
869 1 13 . 1 1 9 9 SER H H 9 7.533 7.533 8.053 -0.520 25613
870 1 13 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.151 0.227 25613
871 1 13 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.765 -0.874 25613
872 1 13 . 1 1 10 10 ILE CB C 10 38.925 38.925 37.468 1.457 25613
873 1 13 . 1 1 10 10 ILE H H 10 7.876 7.876 8.307 -0.431 25613
874 1 13 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.604 0.362 25613
875 1 13 . 1 1 11 11 CYS H H 11 9.710 9.710 8.668 1.042 25613
876 1 13 . 1 1 12 12 SER HA H 12 4.635 4.635 4.696 -0.061 25613
877 1 13 . 1 1 12 12 SER CA C 12 56.435 56.435 57.155 -0.720 25613
878 1 13 . 1 1 12 12 SER CB C 12 65.596 65.596 64.543 1.053 25613
879 1 13 . 1 1 12 12 SER H H 12 8.799 8.799 8.638 0.161 25613
880 1 13 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.991 -0.103 25613
881 1 13 . 1 1 13 13 LEU CA C 13 58.229 58.229 57.843 0.386 25613
882 1 13 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.790 0.357 25613
883 1 13 . 1 1 13 13 LEU H H 13 8.652 8.652 8.521 0.131 25613
884 1 13 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.071 0.122 25613
885 1 13 . 1 1 14 14 TYR CA C 14 59.980 59.980 61.042 -1.062 25613
886 1 13 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.985 0.636 25613
887 1 13 . 1 1 14 14 TYR H H 14 7.517 7.517 7.624 -0.107 25613
888 1 13 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.824 0.191 25613
889 1 13 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.621 -0.159 25613
890 1 13 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.514 0.433 25613
891 1 13 . 1 1 15 15 GLN H H 15 7.581 7.581 7.547 0.034 25613
892 1 13 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.522 0.683 25613
893 1 13 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.487 0.548 25613
894 1 13 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.841 0.026 25613
895 1 13 . 1 1 16 16 LEU H H 16 8.084 8.084 7.866 0.218 25613
896 1 13 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.003 0.224 25613
897 1 13 . 1 1 17 17 GLU CA C 17 57.670 57.670 58.827 -1.157 25613
898 1 13 . 1 1 17 17 GLU CB C 17 28.976 28.976 28.790 0.187 25613
899 1 13 . 1 1 17 17 GLU H H 17 8.121 8.121 8.654 -0.533 25613
900 1 13 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.543 -0.023 25613
901 1 13 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.746 -0.027 25613
902 1 13 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.329 0.050 25613
903 1 13 . 1 1 18 18 ASN H H 18 7.469 7.469 7.900 -0.431 25613
904 1 13 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.584 -0.056 25613
905 1 13 . 1 1 19 19 TYR CA C 19 58.920 58.920 55.960 2.960 25613
906 1 13 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.451 0.821 25613
907 1 13 . 1 1 19 19 TYR H H 19 7.928 7.928 7.420 0.508 25613
908 1 13 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.572 0.395 25613
909 1 13 . 1 1 20 20 CYS CB C 20 35.810 35.810 27.878 7.932 25613
910 1 13 . 1 1 20 20 CYS H H 20 7.484 7.484 7.696 -0.212 25613
911 1 14 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.969 0.097 25613
912 1 14 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.905 -5.412 25613
913 1 14 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.272 -7.004 25613
914 1 14 . 1 1 2 2 ILE H H 2 8.541 8.541 8.453 0.088 25613
915 1 14 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.605 0.126 25613
916 1 14 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.895 -2.123 25613
917 1 14 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.390 0.206 25613
918 1 14 . 1 1 3 3 VAL H H 3 8.164 8.164 8.068 0.096 25613
919 1 14 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.976 0.315 25613
920 1 14 . 1 1 4 4 GLU CA C 4 57.076 57.076 60.072 -2.996 25613
921 1 14 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.324 -1.541 25613
922 1 14 . 1 1 4 4 GLU H H 4 8.161 8.161 8.502 -0.341 25613
923 1 14 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.061 0.064 25613
924 1 14 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.903 -0.320 25613
925 1 14 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.739 0.279 25613
926 1 14 . 1 1 5 5 GLN H H 5 8.290 8.290 7.910 0.380 25613
927 1 14 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.391 0.568 25613
928 1 14 . 1 1 6 6 CYS H H 6 8.369 8.369 8.204 0.165 25613
929 1 14 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.275 0.598 25613
930 1 14 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.590 12.227 25613
931 1 14 . 1 1 7 7 CYS H H 7 8.308 8.308 8.315 -0.007 25613
932 1 14 . 1 1 8 8 THR HA H 8 4.110 4.110 4.224 -0.114 25613
933 1 14 . 1 1 8 8 THR CA C 8 64.398 64.398 64.253 0.145 25613
934 1 14 . 1 1 8 8 THR CB C 8 68.493 68.493 69.307 -0.814 25613
935 1 14 . 1 1 8 8 THR H H 8 8.233 8.233 8.096 0.137 25613
936 1 14 . 1 1 9 9 SER HA H 9 4.816 4.816 4.731 0.085 25613
937 1 14 . 1 1 9 9 SER CA C 9 55.989 55.989 56.509 -0.520 25613
938 1 14 . 1 1 9 9 SER CB C 9 64.007 64.007 64.851 -0.844 25613
939 1 14 . 1 1 9 9 SER H H 9 7.533 7.533 7.788 -0.255 25613
940 1 14 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.240 0.138 25613
941 1 14 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.201 -0.310 25613
942 1 14 . 1 1 10 10 ILE CB C 10 38.925 38.925 39.235 -0.310 25613
943 1 14 . 1 1 10 10 ILE H H 10 7.876 7.876 8.310 -0.434 25613
944 1 14 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.814 0.152 25613
945 1 14 . 1 1 11 11 CYS H H 11 9.710 9.710 8.833 0.877 25613
946 1 14 . 1 1 12 12 SER HA H 12 4.635 4.635 4.525 0.110 25613
947 1 14 . 1 1 12 12 SER CA C 12 56.435 56.435 57.359 -0.924 25613
948 1 14 . 1 1 12 12 SER CB C 12 65.596 65.596 64.184 1.412 25613
949 1 14 . 1 1 12 12 SER H H 12 8.799 8.799 9.086 -0.287 25613
950 1 14 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.877 0.011 25613
951 1 14 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.135 0.095 25613
952 1 14 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.256 0.891 25613
953 1 14 . 1 1 13 13 LEU H H 13 8.652 8.652 8.379 0.273 25613
954 1 14 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.659 -0.466 25613
955 1 14 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.278 -0.298 25613
956 1 14 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.523 1.098 25613
957 1 14 . 1 1 14 14 TYR H H 14 7.517 7.517 7.085 0.432 25613
958 1 14 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.922 0.093 25613
959 1 14 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.746 -0.284 25613
960 1 14 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.129 0.818 25613
961 1 14 . 1 1 15 15 GLN H H 15 7.581 7.581 8.183 -0.602 25613
962 1 14 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.583 0.622 25613
963 1 14 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.365 0.670 25613
964 1 14 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.751 0.116 25613
965 1 14 . 1 1 16 16 LEU H H 16 8.084 8.084 7.988 0.096 25613
966 1 14 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.001 0.226 25613
967 1 14 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.160 -1.490 25613
968 1 14 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.313 -0.337 25613
969 1 14 . 1 1 17 17 GLU H H 17 8.121 8.121 8.478 -0.357 25613
970 1 14 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.517 0.003 25613
971 1 14 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.919 -0.200 25613
972 1 14 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.153 0.226 25613
973 1 14 . 1 1 18 18 ASN H H 18 7.469 7.469 7.960 -0.491 25613
974 1 14 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.550 -0.022 25613
975 1 14 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.940 1.980 25613
976 1 14 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.952 0.320 25613
977 1 14 . 1 1 19 19 TYR H H 19 7.928 7.928 7.389 0.539 25613
978 1 14 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.692 0.275 25613
979 1 14 . 1 1 20 20 CYS CB C 20 35.810 35.810 28.311 7.500 25613
980 1 14 . 1 1 20 20 CYS H H 20 7.484 7.484 7.667 -0.183 25613
981 1 15 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.875 0.191 25613
982 1 15 . 1 1 2 2 ILE CA C 2 57.493 57.493 61.920 -4.427 25613
983 1 15 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.286 -7.018 25613
984 1 15 . 1 1 2 2 ILE H H 2 8.541 8.541 8.373 0.168 25613
985 1 15 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.519 0.212 25613
986 1 15 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.502 -1.730 25613
987 1 15 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.435 0.161 25613
988 1 15 . 1 1 3 3 VAL H H 3 8.164 8.164 8.082 0.082 25613
989 1 15 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.991 0.300 25613
990 1 15 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.739 -2.663 25613
991 1 15 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.363 -1.580 25613
992 1 15 . 1 1 4 4 GLU H H 4 8.161 8.161 7.731 0.430 25613
993 1 15 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.082 0.043 25613
994 1 15 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.745 -0.162 25613
995 1 15 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.543 0.475 25613
996 1 15 . 1 1 5 5 GLN H H 5 8.290 8.290 7.559 0.731 25613
997 1 15 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.370 0.589 25613
998 1 15 . 1 1 6 6 CYS H H 6 8.369 8.369 8.326 0.043 25613
999 1 15 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.345 0.528 25613
1000 1 15 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.933 11.884 25613
1001 1 15 . 1 1 7 7 CYS H H 7 8.308 8.308 7.943 0.365 25613
1002 1 15 . 1 1 8 8 THR HA H 8 4.110 4.110 4.297 -0.187 25613
1003 1 15 . 1 1 8 8 THR CA C 8 64.398 64.398 63.402 0.996 25613
1004 1 15 . 1 1 8 8 THR CB C 8 68.493 68.493 69.227 -0.734 25613
1005 1 15 . 1 1 8 8 THR H H 8 8.233 8.233 8.158 0.075 25613
1006 1 15 . 1 1 9 9 SER HA H 9 4.816 4.816 4.703 0.113 25613
1007 1 15 . 1 1 9 9 SER CA C 9 55.989 55.989 56.851 -0.862 25613
1008 1 15 . 1 1 9 9 SER CB C 9 64.007 64.007 65.052 -1.045 25613
1009 1 15 . 1 1 9 9 SER H H 9 7.533 7.533 7.951 -0.418 25613
1010 1 15 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.155 0.223 25613
1011 1 15 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.761 -0.871 25613
1012 1 15 . 1 1 10 10 ILE CB C 10 38.925 38.925 37.191 1.734 25613
1013 1 15 . 1 1 10 10 ILE H H 10 7.876 7.876 8.312 -0.436 25613
1014 1 15 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.602 0.364 25613
1015 1 15 . 1 1 11 11 CYS H H 11 9.710 9.710 8.651 1.059 25613
1016 1 15 . 1 1 12 12 SER HA H 12 4.635 4.635 4.588 0.048 25613
1017 1 15 . 1 1 12 12 SER CA C 12 56.435 56.435 56.714 -0.279 25613
1018 1 15 . 1 1 12 12 SER CB C 12 65.596 65.596 64.452 1.144 25613
1019 1 15 . 1 1 12 12 SER H H 12 8.799 8.799 8.579 0.220 25613
1020 1 15 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.817 0.071 25613
1021 1 15 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.208 0.021 25613
1022 1 15 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.378 -0.231 25613
1023 1 15 . 1 1 13 13 LEU H H 13 8.652 8.652 8.572 0.081 25613
1024 1 15 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.187 0.006 25613
1025 1 15 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.207 -0.227 25613
1026 1 15 . 1 1 14 14 TYR CB C 14 37.621 37.621 37.050 0.571 25613
1027 1 15 . 1 1 14 14 TYR H H 14 7.517 7.517 7.441 0.076 25613
1028 1 15 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.890 0.125 25613
1029 1 15 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.708 -0.246 25613
1030 1 15 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.652 0.295 25613
1031 1 15 . 1 1 15 15 GLN H H 15 7.581 7.581 7.480 0.101 25613
1032 1 15 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.427 0.778 25613
1033 1 15 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.537 0.498 25613
1034 1 15 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.854 0.013 25613
1035 1 15 . 1 1 16 16 LEU H H 16 8.084 8.084 8.086 -0.002 25613
1036 1 15 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.048 0.179 25613
1037 1 15 . 1 1 17 17 GLU CA C 17 57.670 57.670 58.372 -0.702 25613
1038 1 15 . 1 1 17 17 GLU CB C 17 28.976 28.976 28.827 0.149 25613
1039 1 15 . 1 1 17 17 GLU H H 17 8.121 8.121 8.304 -0.183 25613
1040 1 15 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.530 -0.010 25613
1041 1 15 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.974 -0.254 25613
1042 1 15 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.493 -0.114 25613
1043 1 15 . 1 1 18 18 ASN H H 18 7.469 7.469 7.681 -0.212 25613
1044 1 15 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.533 -0.005 25613
1045 1 15 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.192 1.728 25613
1046 1 15 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.002 0.270 25613
1047 1 15 . 1 1 19 19 TYR H H 19 7.928 7.928 7.289 0.639 25613
1048 1 15 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.905 0.062 25613
1049 1 15 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.286 5.524 25613
1050 1 15 . 1 1 20 20 CYS H H 20 7.484 7.484 7.642 -0.158 25613
1051 1 16 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.874 0.192 25613
1052 1 16 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.746 -5.253 25613
1053 1 16 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.362 -7.094 25613
1054 1 16 . 1 1 2 2 ILE H H 2 8.541 8.541 8.210 0.331 25613
1055 1 16 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.623 0.108 25613
1056 1 16 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.671 -1.899 25613
1057 1 16 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.392 0.204 25613
1058 1 16 . 1 1 3 3 VAL H H 3 8.164 8.164 8.013 0.151 25613
1059 1 16 . 1 1 4 4 GLU HA H 4 4.291 4.291 4.010 0.281 25613
1060 1 16 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.772 -2.696 25613
1061 1 16 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.315 -1.532 25613
1062 1 16 . 1 1 4 4 GLU H H 4 8.161 8.161 8.453 -0.292 25613
1063 1 16 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.147 -0.022 25613
1064 1 16 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.568 0.015 25613
1065 1 16 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.410 0.608 25613
1066 1 16 . 1 1 5 5 GLN H H 5 8.290 8.290 8.474 -0.184 25613
1067 1 16 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.452 0.507 25613
1068 1 16 . 1 1 6 6 CYS H H 6 8.369 8.369 8.046 0.323 25613
1069 1 16 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.308 0.565 25613
1070 1 16 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.716 12.101 25613
1071 1 16 . 1 1 7 7 CYS H H 7 8.308 8.308 8.257 0.051 25613
1072 1 16 . 1 1 8 8 THR HA H 8 4.110 4.110 4.193 -0.083 25613
1073 1 16 . 1 1 8 8 THR CA C 8 64.398 64.398 64.049 0.349 25613
1074 1 16 . 1 1 8 8 THR CB C 8 68.493 68.493 69.109 -0.616 25613
1075 1 16 . 1 1 8 8 THR H H 8 8.233 8.233 8.247 -0.014 25613
1076 1 16 . 1 1 9 9 SER HA H 9 4.816 4.816 4.758 0.058 25613
1077 1 16 . 1 1 9 9 SER CA C 9 55.989 55.989 56.717 -0.728 25613
1078 1 16 . 1 1 9 9 SER CB C 9 64.007 64.007 64.866 -0.859 25613
1079 1 16 . 1 1 9 9 SER H H 9 7.533 7.533 7.858 -0.325 25613
1080 1 16 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.279 0.099 25613
1081 1 16 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.109 -0.219 25613
1082 1 16 . 1 1 10 10 ILE CB C 10 38.925 38.925 39.127 -0.202 25613
1083 1 16 . 1 1 10 10 ILE H H 10 7.876 7.876 8.374 -0.498 25613
1084 1 16 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.606 0.360 25613
1085 1 16 . 1 1 11 11 CYS H H 11 9.710 9.710 8.880 0.830 25613
1086 1 16 . 1 1 12 12 SER HA H 12 4.635 4.635 4.598 0.037 25613
1087 1 16 . 1 1 12 12 SER CA C 12 56.435 56.435 57.204 -0.769 25613
1088 1 16 . 1 1 12 12 SER CB C 12 65.596 65.596 64.501 1.095 25613
1089 1 16 . 1 1 12 12 SER H H 12 8.799 8.799 8.674 0.125 25613
1090 1 16 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.820 0.068 25613
1091 1 16 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.213 0.016 25613
1092 1 16 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.951 0.196 25613
1093 1 16 . 1 1 13 13 LEU H H 13 8.652 8.652 8.416 0.236 25613
1094 1 16 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.139 0.054 25613
1095 1 16 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.562 -0.582 25613
1096 1 16 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.974 0.647 25613
1097 1 16 . 1 1 14 14 TYR H H 14 7.517 7.517 7.136 0.381 25613
1098 1 16 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.902 0.113 25613
1099 1 16 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.402 0.060 25613
1100 1 16 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.464 0.483 25613
1101 1 16 . 1 1 15 15 GLN H H 15 7.581 7.581 7.640 -0.059 25613
1102 1 16 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.648 0.557 25613
1103 1 16 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.592 0.443 25613
1104 1 16 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.654 0.213 25613
1105 1 16 . 1 1 16 16 LEU H H 16 8.084 8.084 7.982 0.102 25613
1106 1 16 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.035 0.192 25613
1107 1 16 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.122 -1.452 25613
1108 1 16 . 1 1 17 17 GLU CB C 17 28.976 28.976 28.986 -0.010 25613
1109 1 16 . 1 1 17 17 GLU H H 17 8.121 8.121 8.172 -0.051 25613
1110 1 16 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.519 0.001 25613
1111 1 16 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.854 -0.135 25613
1112 1 16 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.280 0.099 25613
1113 1 16 . 1 1 18 18 ASN H H 18 7.469 7.469 7.812 -0.343 25613
1114 1 16 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.555 -0.027 25613
1115 1 16 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.035 1.885 25613
1116 1 16 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.632 0.640 25613
1117 1 16 . 1 1 19 19 TYR H H 19 7.928 7.928 7.540 0.388 25613
1118 1 16 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.851 0.116 25613
1119 1 16 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.224 5.586 25613
1120 1 16 . 1 1 20 20 CYS H H 20 7.484 7.484 7.532 -0.048 25613
1121 1 17 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.820 0.246 25613
1122 1 17 . 1 1 2 2 ILE CA C 2 57.493 57.493 61.848 -4.355 25613
1123 1 17 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.278 -7.010 25613
1124 1 17 . 1 1 2 2 ILE H H 2 8.541 8.541 8.426 0.115 25613
1125 1 17 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.661 0.070 25613
1126 1 17 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.354 -1.582 25613
1127 1 17 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.093 0.503 25613
1128 1 17 . 1 1 3 3 VAL H H 3 8.164 8.164 7.879 0.285 25613
1129 1 17 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.997 0.294 25613
1130 1 17 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.112 -2.036 25613
1131 1 17 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.814 -1.032 25613
1132 1 17 . 1 1 4 4 GLU H H 4 8.161 8.161 8.379 -0.218 25613
1133 1 17 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.034 0.091 25613
1134 1 17 . 1 1 5 5 GLN CA C 5 58.583 58.583 59.172 -0.590 25613
1135 1 17 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.925 0.093 25613
1136 1 17 . 1 1 5 5 GLN H H 5 8.290 8.290 7.673 0.617 25613
1137 1 17 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.445 0.514 25613
1138 1 17 . 1 1 6 6 CYS H H 6 8.369 8.369 8.179 0.190 25613
1139 1 17 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.347 0.526 25613
1140 1 17 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.878 11.939 25613
1141 1 17 . 1 1 7 7 CYS H H 7 8.308 8.308 7.886 0.422 25613
1142 1 17 . 1 1 8 8 THR HA H 8 4.110 4.110 4.254 -0.144 25613
1143 1 17 . 1 1 8 8 THR CA C 8 64.398 64.398 64.231 0.167 25613
1144 1 17 . 1 1 8 8 THR CB C 8 68.493 68.493 69.544 -1.051 25613
1145 1 17 . 1 1 8 8 THR H H 8 8.233 8.233 8.191 0.042 25613
1146 1 17 . 1 1 9 9 SER HA H 9 4.816 4.816 4.645 0.171 25613
1147 1 17 . 1 1 9 9 SER CA C 9 55.989 55.989 57.377 -1.388 25613
1148 1 17 . 1 1 9 9 SER CB C 9 64.007 64.007 65.406 -1.399 25613
1149 1 17 . 1 1 9 9 SER H H 9 7.533 7.533 7.861 -0.328 25613
1150 1 17 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.096 0.282 25613
1151 1 17 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.778 -0.887 25613
1152 1 17 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.730 2.195 25613
1153 1 17 . 1 1 10 10 ILE H H 10 7.876 7.876 8.238 -0.362 25613
1154 1 17 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.679 0.287 25613
1155 1 17 . 1 1 11 11 CYS H H 11 9.710 9.710 8.696 1.014 25613
1156 1 17 . 1 1 12 12 SER HA H 12 4.635 4.635 4.664 -0.029 25613
1157 1 17 . 1 1 12 12 SER CA C 12 56.435 56.435 56.923 -0.488 25613
1158 1 17 . 1 1 12 12 SER CB C 12 65.596 65.596 65.464 0.132 25613
1159 1 17 . 1 1 12 12 SER H H 12 8.799 8.799 8.143 0.656 25613
1160 1 17 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.732 0.156 25613
1161 1 17 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.041 0.188 25613
1162 1 17 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.011 0.136 25613
1163 1 17 . 1 1 13 13 LEU H H 13 8.652 8.652 8.506 0.146 25613
1164 1 17 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.105 0.088 25613
1165 1 17 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.217 -0.237 25613
1166 1 17 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.407 1.214 25613
1167 1 17 . 1 1 14 14 TYR H H 14 7.517 7.517 7.064 0.453 25613
1168 1 17 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.889 0.126 25613
1169 1 17 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.635 -0.173 25613
1170 1 17 . 1 1 15 15 GLN CB C 15 28.947 28.947 27.991 0.956 25613
1171 1 17 . 1 1 15 15 GLN H H 15 7.581 7.581 7.551 0.030 25613
1172 1 17 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.626 0.579 25613
1173 1 17 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.679 0.356 25613
1174 1 17 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.618 0.249 25613
1175 1 17 . 1 1 16 16 LEU H H 16 8.084 8.084 8.175 -0.091 25613
1176 1 17 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.006 0.221 25613
1177 1 17 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.238 -1.568 25613
1178 1 17 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.028 -0.052 25613
1179 1 17 . 1 1 17 17 GLU H H 17 8.121 8.121 8.454 -0.333 25613
1180 1 17 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.530 -0.010 25613
1181 1 17 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.480 0.239 25613
1182 1 17 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.166 0.213 25613
1183 1 17 . 1 1 18 18 ASN H H 18 7.469 7.469 7.949 -0.480 25613
1184 1 17 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.553 -0.025 25613
1185 1 17 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.231 1.689 25613
1186 1 17 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.131 0.141 25613
1187 1 17 . 1 1 19 19 TYR H H 19 7.928 7.928 7.322 0.606 25613
1188 1 17 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.647 0.320 25613
1189 1 17 . 1 1 20 20 CYS CB C 20 35.810 35.810 27.987 7.823 25613
1190 1 17 . 1 1 20 20 CYS H H 20 7.484 7.484 7.660 -0.176 25613
1191 1 18 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.853 0.213 25613
1192 1 18 . 1 1 2 2 ILE CA C 2 57.493 57.493 63.221 -5.728 25613
1193 1 18 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.117 -6.849 25613
1194 1 18 . 1 1 2 2 ILE H H 2 8.541 8.541 8.228 0.313 25613
1195 1 18 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.656 0.075 25613
1196 1 18 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.481 -1.709 25613
1197 1 18 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.172 0.424 25613
1198 1 18 . 1 1 3 3 VAL H H 3 8.164 8.164 7.963 0.201 25613
1199 1 18 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.984 0.307 25613
1200 1 18 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.582 -2.506 25613
1201 1 18 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.298 -1.515 25613
1202 1 18 . 1 1 4 4 GLU H H 4 8.161 8.161 7.669 0.492 25613
1203 1 18 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.138 -0.013 25613
1204 1 18 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.731 -0.148 25613
1205 1 18 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.906 0.112 25613
1206 1 18 . 1 1 5 5 GLN H H 5 8.290 8.290 7.911 0.379 25613
1207 1 18 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.560 0.399 25613
1208 1 18 . 1 1 6 6 CYS H H 6 8.369 8.369 8.021 0.348 25613
1209 1 18 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.383 0.490 25613
1210 1 18 . 1 1 7 7 CYS CB C 7 38.817 38.817 27.118 11.699 25613
1211 1 18 . 1 1 7 7 CYS H H 7 8.308 8.308 8.157 0.151 25613
1212 1 18 . 1 1 8 8 THR HA H 8 4.110 4.110 4.293 -0.183 25613
1213 1 18 . 1 1 8 8 THR CA C 8 64.398 64.398 64.320 0.078 25613
1214 1 18 . 1 1 8 8 THR CB C 8 68.493 68.493 69.233 -0.740 25613
1215 1 18 . 1 1 8 8 THR H H 8 8.233 8.233 8.060 0.173 25613
1216 1 18 . 1 1 9 9 SER HA H 9 4.816 4.816 4.725 0.091 25613
1217 1 18 . 1 1 9 9 SER CA C 9 55.989 55.989 56.667 -0.678 25613
1218 1 18 . 1 1 9 9 SER CB C 9 64.007 64.007 65.197 -1.190 25613
1219 1 18 . 1 1 9 9 SER H H 9 7.533 7.533 7.484 0.049 25613
1220 1 18 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.237 0.141 25613
1221 1 18 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.363 -0.472 25613
1222 1 18 . 1 1 10 10 ILE CB C 10 38.925 38.925 39.181 -0.256 25613
1223 1 18 . 1 1 10 10 ILE H H 10 7.876 7.876 8.381 -0.505 25613
1224 1 18 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.922 0.044 25613
1225 1 18 . 1 1 11 11 CYS H H 11 9.710 9.710 8.859 0.851 25613
1226 1 18 . 1 1 12 12 SER HA H 12 4.635 4.635 4.443 0.192 25613
1227 1 18 . 1 1 12 12 SER CA C 12 56.435 56.435 57.288 -0.853 25613
1228 1 18 . 1 1 12 12 SER CB C 12 65.596 65.596 63.903 1.693 25613
1229 1 18 . 1 1 12 12 SER H H 12 8.799 8.799 8.411 0.388 25613
1230 1 18 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.788 0.100 25613
1231 1 18 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.328 -0.099 25613
1232 1 18 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.771 0.376 25613
1233 1 18 . 1 1 13 13 LEU H H 13 8.652 8.652 8.371 0.281 25613
1234 1 18 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.187 0.006 25613
1235 1 18 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.261 -0.281 25613
1236 1 18 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.665 0.956 25613
1237 1 18 . 1 1 14 14 TYR H H 14 7.517 7.517 6.954 0.563 25613
1238 1 18 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.878 0.137 25613
1239 1 18 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.538 -0.076 25613
1240 1 18 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.213 0.734 25613
1241 1 18 . 1 1 15 15 GLN H H 15 7.581 7.581 7.696 -0.115 25613
1242 1 18 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.605 0.600 25613
1243 1 18 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.588 0.447 25613
1244 1 18 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.758 0.109 25613
1245 1 18 . 1 1 16 16 LEU H H 16 8.084 8.084 8.210 -0.126 25613
1246 1 18 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.054 0.173 25613
1247 1 18 . 1 1 17 17 GLU CA C 17 57.670 57.670 58.763 -1.093 25613
1248 1 18 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.309 -0.333 25613
1249 1 18 . 1 1 17 17 GLU H H 17 8.121 8.121 8.018 0.103 25613
1250 1 18 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.503 0.017 25613
1251 1 18 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.815 -0.096 25613
1252 1 18 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.142 0.237 25613
1253 1 18 . 1 1 18 18 ASN H H 18 7.469 7.469 7.871 -0.402 25613
1254 1 18 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.528 0.000 25613
1255 1 18 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.275 1.645 25613
1256 1 18 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.966 0.306 25613
1257 1 18 . 1 1 19 19 TYR H H 19 7.928 7.928 7.303 0.625 25613
1258 1 18 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.725 0.242 25613
1259 1 18 . 1 1 20 20 CYS CB C 20 35.810 35.810 28.523 7.287 25613
1260 1 18 . 1 1 20 20 CYS H H 20 7.484 7.484 7.621 -0.137 25613
1261 1 19 . 1 1 2 2 ILE HA H 2 4.066 4.066 4.072 -0.006 25613
1262 1 19 . 1 1 2 2 ILE CA C 2 57.493 57.493 61.682 -4.189 25613
1263 1 19 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.449 -7.181 25613
1264 1 19 . 1 1 2 2 ILE H H 2 8.541 8.541 8.422 0.119 25613
1265 1 19 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.632 0.099 25613
1266 1 19 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.691 -1.919 25613
1267 1 19 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.469 0.127 25613
1268 1 19 . 1 1 3 3 VAL H H 3 8.164 8.164 7.971 0.193 25613
1269 1 19 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.984 0.307 25613
1270 1 19 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.382 -2.306 25613
1271 1 19 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.765 -0.982 25613
1272 1 19 . 1 1 4 4 GLU H H 4 8.161 8.161 8.568 -0.407 25613
1273 1 19 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.116 0.009 25613
1274 1 19 . 1 1 5 5 GLN CA C 5 58.583 58.583 59.311 -0.728 25613
1275 1 19 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.662 0.356 25613
1276 1 19 . 1 1 5 5 GLN H H 5 8.290 8.290 7.657 0.633 25613
1277 1 19 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.274 0.685 25613
1278 1 19 . 1 1 6 6 CYS H H 6 8.369 8.369 7.933 0.436 25613
1279 1 19 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.269 0.604 25613
1280 1 19 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.509 12.308 25613
1281 1 19 . 1 1 7 7 CYS H H 7 8.308 8.308 8.061 0.247 25613
1282 1 19 . 1 1 8 8 THR HA H 8 4.110 4.110 4.318 -0.208 25613
1283 1 19 . 1 1 8 8 THR CA C 8 64.398 64.398 64.292 0.106 25613
1284 1 19 . 1 1 8 8 THR CB C 8 68.493 68.493 69.769 -1.276 25613
1285 1 19 . 1 1 8 8 THR H H 8 8.233 8.233 8.346 -0.113 25613
1286 1 19 . 1 1 9 9 SER HA H 9 4.816 4.816 4.669 0.147 25613
1287 1 19 . 1 1 9 9 SER CA C 9 55.989 55.989 57.244 -1.255 25613
1288 1 19 . 1 1 9 9 SER CB C 9 64.007 64.007 65.725 -1.718 25613
1289 1 19 . 1 1 9 9 SER H H 9 7.533 7.533 7.894 -0.361 25613
1290 1 19 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.152 0.226 25613
1291 1 19 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.645 -0.755 25613
1292 1 19 . 1 1 10 10 ILE CB C 10 38.925 38.925 38.999 -0.074 25613
1293 1 19 . 1 1 10 10 ILE H H 10 7.876 7.876 8.275 -0.399 25613
1294 1 19 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.589 0.377 25613
1295 1 19 . 1 1 11 11 CYS H H 11 9.710 9.710 8.745 0.965 25613
1296 1 19 . 1 1 12 12 SER HA H 12 4.635 4.635 4.642 -0.007 25613
1297 1 19 . 1 1 12 12 SER CA C 12 56.435 56.435 57.452 -1.017 25613
1298 1 19 . 1 1 12 12 SER CB C 12 65.596 65.596 65.562 0.034 25613
1299 1 19 . 1 1 12 12 SER H H 12 8.799 8.799 8.138 0.661 25613
1300 1 19 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.750 0.138 25613
1301 1 19 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.183 0.046 25613
1302 1 19 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.866 0.281 25613
1303 1 19 . 1 1 13 13 LEU H H 13 8.652 8.652 8.441 0.211 25613
1304 1 19 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.038 0.155 25613
1305 1 19 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.490 -0.510 25613
1306 1 19 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.368 1.253 25613
1307 1 19 . 1 1 14 14 TYR H H 14 7.517 7.517 6.882 0.635 25613
1308 1 19 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.929 0.086 25613
1309 1 19 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.548 -0.086 25613
1310 1 19 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.262 0.685 25613
1311 1 19 . 1 1 15 15 GLN H H 15 7.581 7.581 7.641 -0.060 25613
1312 1 19 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.195 1.010 25613
1313 1 19 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.315 0.720 25613
1314 1 19 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.579 0.288 25613
1315 1 19 . 1 1 16 16 LEU H H 16 8.084 8.084 7.994 0.090 25613
1316 1 19 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.976 0.251 25613
1317 1 19 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.174 -1.504 25613
1318 1 19 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.364 -0.388 25613
1319 1 19 . 1 1 17 17 GLU H H 17 8.121 8.121 8.258 -0.137 25613
1320 1 19 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.553 -0.033 25613
1321 1 19 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.806 -0.087 25613
1322 1 19 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.194 0.185 25613
1323 1 19 . 1 1 18 18 ASN H H 18 7.469 7.469 7.855 -0.386 25613
1324 1 19 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.502 0.026 25613
1325 1 19 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.675 1.245 25613
1326 1 19 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.075 0.197 25613
1327 1 19 . 1 1 19 19 TYR H H 19 7.928 7.928 7.425 0.503 25613
1328 1 19 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.800 0.167 25613
1329 1 19 . 1 1 20 20 CYS CB C 20 35.810 35.810 28.925 6.885 25613
1330 1 19 . 1 1 20 20 CYS H H 20 7.484 7.484 7.918 -0.434 25613
1331 1 20 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.890 0.176 25613
1332 1 20 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.887 -5.394 25613
1333 1 20 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.015 -6.747 25613
1334 1 20 . 1 1 2 2 ILE H H 2 8.541 8.541 8.169 0.372 25613
1335 1 20 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.536 0.195 25613
1336 1 20 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.660 -1.888 25613
1337 1 20 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.103 0.493 25613
1338 1 20 . 1 1 3 3 VAL H H 3 8.164 8.164 8.144 0.020 25613
1339 1 20 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.953 0.338 25613
1340 1 20 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.653 -2.577 25613
1341 1 20 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.259 -1.476 25613
1342 1 20 . 1 1 4 4 GLU H H 4 8.161 8.161 7.734 0.427 25613
1343 1 20 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.103 0.022 25613
1344 1 20 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.738 -0.155 25613
1345 1 20 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.797 0.221 25613
1346 1 20 . 1 1 5 5 GLN H H 5 8.290 8.290 7.698 0.592 25613
1347 1 20 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.353 0.606 25613
1348 1 20 . 1 1 6 6 CYS H H 6 8.369 8.369 8.251 0.118 25613
1349 1 20 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.247 0.626 25613
1350 1 20 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.763 12.054 25613
1351 1 20 . 1 1 7 7 CYS H H 7 8.308 8.308 8.040 0.268 25613
1352 1 20 . 1 1 8 8 THR HA H 8 4.110 4.110 4.198 -0.088 25613
1353 1 20 . 1 1 8 8 THR CA C 8 64.398 64.398 63.917 0.481 25613
1354 1 20 . 1 1 8 8 THR CB C 8 68.493 68.493 69.123 -0.630 25613
1355 1 20 . 1 1 8 8 THR H H 8 8.233 8.233 8.076 0.157 25613
1356 1 20 . 1 1 9 9 SER HA H 9 4.816 4.816 4.692 0.124 25613
1357 1 20 . 1 1 9 9 SER CA C 9 55.989 55.989 56.730 -0.741 25613
1358 1 20 . 1 1 9 9 SER CB C 9 64.007 64.007 64.955 -0.948 25613
1359 1 20 . 1 1 9 9 SER H H 9 7.533 7.533 7.734 -0.201 25613
1360 1 20 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.157 0.221 25613
1361 1 20 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.611 -0.721 25613
1362 1 20 . 1 1 10 10 ILE CB C 10 38.925 38.925 36.944 1.982 25613
1363 1 20 . 1 1 10 10 ILE H H 10 7.876 7.876 8.310 -0.434 25613
1364 1 20 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.930 0.036 25613
1365 1 20 . 1 1 11 11 CYS H H 11 9.710 9.710 8.679 1.031 25613
1366 1 20 . 1 1 12 12 SER HA H 12 4.635 4.635 4.609 0.026 25613
1367 1 20 . 1 1 12 12 SER CA C 12 56.435 56.435 56.864 -0.429 25613
1368 1 20 . 1 1 12 12 SER CB C 12 65.596 65.596 64.550 1.046 25613
1369 1 20 . 1 1 12 12 SER H H 12 8.799 8.799 9.133 -0.334 25613
1370 1 20 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.770 0.118 25613
1371 1 20 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.510 -0.280 25613
1372 1 20 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.525 -0.378 25613
1373 1 20 . 1 1 13 13 LEU H H 13 8.652 8.652 8.308 0.344 25613
1374 1 20 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.244 -0.051 25613
1375 1 20 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.718 -0.738 25613
1376 1 20 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.607 1.014 25613
1377 1 20 . 1 1 14 14 TYR H H 14 7.517 7.517 6.901 0.616 25613
1378 1 20 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.919 0.096 25613
1379 1 20 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.711 -0.249 25613
1380 1 20 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.096 0.851 25613
1381 1 20 . 1 1 15 15 GLN H H 15 7.581 7.581 8.104 -0.523 25613
1382 1 20 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.388 0.817 25613
1383 1 20 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.497 0.538 25613
1384 1 20 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.547 0.320 25613
1385 1 20 . 1 1 16 16 LEU H H 16 8.084 8.084 8.121 -0.037 25613
1386 1 20 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.981 0.246 25613
1387 1 20 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.523 -1.853 25613
1388 1 20 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.160 -0.183 25613
1389 1 20 . 1 1 17 17 GLU H H 17 8.121 8.121 8.146 -0.025 25613
1390 1 20 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.575 -0.055 25613
1391 1 20 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.643 0.076 25613
1392 1 20 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.371 0.008 25613
1393 1 20 . 1 1 18 18 ASN H H 18 7.469 7.469 7.936 -0.467 25613
1394 1 20 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.537 -0.009 25613
1395 1 20 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.938 1.982 25613
1396 1 20 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.752 0.520 25613
1397 1 20 . 1 1 19 19 TYR H H 19 7.928 7.928 7.498 0.430 25613
1398 1 20 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.750 0.217 25613
1399 1 20 . 1 1 20 20 CYS CB C 20 35.810 35.810 29.612 6.198 25613
1400 1 20 . 1 1 20 20 CYS H H 20 7.484 7.484 7.805 -0.321 25613
1401 1 21 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.903 0.163 25613
1402 1 21 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.832 -5.339 25613
1403 1 21 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.148 -6.880 25613
1404 1 21 . 1 1 2 2 ILE H H 2 8.541 8.541 8.355 0.186 25613
1405 1 21 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.601 0.130 25613
1406 1 21 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.212 -1.440 25613
1407 1 21 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.058 0.538 25613
1408 1 21 . 1 1 3 3 VAL H H 3 8.164 8.164 8.171 -0.007 25613
1409 1 21 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.951 0.340 25613
1410 1 21 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.813 -2.737 25613
1411 1 21 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.269 -1.486 25613
1412 1 21 . 1 1 4 4 GLU H H 4 8.161 8.161 7.660 0.501 25613
1413 1 21 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.033 0.092 25613
1414 1 21 . 1 1 5 5 GLN CA C 5 58.583 58.583 59.065 -0.481 25613
1415 1 21 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.736 0.282 25613
1416 1 21 . 1 1 5 5 GLN H H 5 8.290 8.290 8.012 0.278 25613
1417 1 21 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.511 0.448 25613
1418 1 21 . 1 1 6 6 CYS H H 6 8.369 8.369 8.076 0.293 25613
1419 1 21 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.410 0.463 25613
1420 1 21 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.953 11.864 25613
1421 1 21 . 1 1 7 7 CYS H H 7 8.308 8.308 8.207 0.101 25613
1422 1 21 . 1 1 8 8 THR HA H 8 4.110 4.110 4.220 -0.110 25613
1423 1 21 . 1 1 8 8 THR CA C 8 64.398 64.398 64.247 0.151 25613
1424 1 21 . 1 1 8 8 THR CB C 8 68.493 68.493 69.354 -0.861 25613
1425 1 21 . 1 1 8 8 THR H H 8 8.233 8.233 8.132 0.101 25613
1426 1 21 . 1 1 9 9 SER HA H 9 4.816 4.816 4.696 0.120 25613
1427 1 21 . 1 1 9 9 SER CA C 9 55.989 55.989 56.704 -0.715 25613
1428 1 21 . 1 1 9 9 SER CB C 9 64.007 64.007 64.828 -0.821 25613
1429 1 21 . 1 1 9 9 SER H H 9 7.533 7.533 7.891 -0.358 25613
1430 1 21 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.183 0.195 25613
1431 1 21 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.764 -0.873 25613
1432 1 21 . 1 1 10 10 ILE CB C 10 38.925 38.925 38.971 -0.047 25613
1433 1 21 . 1 1 10 10 ILE H H 10 7.876 7.876 8.333 -0.457 25613
1434 1 21 . 1 1 11 11 CYS HA H 11 4.966 4.966 5.026 -0.060 25613
1435 1 21 . 1 1 11 11 CYS H H 11 9.710 9.710 8.689 1.021 25613
1436 1 21 . 1 1 12 12 SER HA H 12 4.635 4.635 4.451 0.184 25613
1437 1 21 . 1 1 12 12 SER CA C 12 56.435 56.435 57.356 -0.921 25613
1438 1 21 . 1 1 12 12 SER CB C 12 65.596 65.596 64.009 1.587 25613
1439 1 21 . 1 1 12 12 SER H H 12 8.799 8.799 8.611 0.188 25613
1440 1 21 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.794 0.094 25613
1441 1 21 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.518 -0.289 25613
1442 1 21 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.890 0.257 25613
1443 1 21 . 1 1 13 13 LEU H H 13 8.652 8.652 8.406 0.246 25613
1444 1 21 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.377 -0.184 25613
1445 1 21 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.029 -0.049 25613
1446 1 21 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.765 0.856 25613
1447 1 21 . 1 1 14 14 TYR H H 14 7.517 7.517 7.210 0.307 25613
1448 1 21 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.862 0.153 25613
1449 1 21 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.343 0.119 25613
1450 1 21 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.435 0.512 25613
1451 1 21 . 1 1 15 15 GLN H H 15 7.581 7.581 7.491 0.090 25613
1452 1 21 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.594 0.611 25613
1453 1 21 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.604 0.431 25613
1454 1 21 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.727 0.140 25613
1455 1 21 . 1 1 16 16 LEU H H 16 8.084 8.084 7.973 0.111 25613
1456 1 21 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.997 0.230 25613
1457 1 21 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.133 -1.463 25613
1458 1 21 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.314 -0.338 25613
1459 1 21 . 1 1 17 17 GLU H H 17 8.121 8.121 8.445 -0.324 25613
1460 1 21 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.505 0.015 25613
1461 1 21 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.978 -0.259 25613
1462 1 21 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.331 0.048 25613
1463 1 21 . 1 1 18 18 ASN H H 18 7.469 7.469 7.790 -0.321 25613
1464 1 21 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.582 -0.054 25613
1465 1 21 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.555 2.365 25613
1466 1 21 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.983 0.289 25613
1467 1 21 . 1 1 19 19 TYR H H 19 7.928 7.928 7.240 0.688 25613
1468 1 21 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.551 0.416 25613
1469 1 21 . 1 1 20 20 CYS CB C 20 35.810 35.810 27.930 7.880 25613
1470 1 21 . 1 1 20 20 CYS H H 20 7.484 7.484 7.805 -0.321 25613
1471 1 22 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.930 0.136 25613
1472 1 22 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.480 -4.987 25613
1473 1 22 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.221 -6.953 25613
1474 1 22 . 1 1 2 2 ILE H H 2 8.541 8.541 8.394 0.147 25613
1475 1 22 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.715 0.016 25613
1476 1 22 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.877 -2.106 25613
1477 1 22 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.003 0.593 25613
1478 1 22 . 1 1 3 3 VAL H H 3 8.164 8.164 8.086 0.078 25613
1479 1 22 . 1 1 4 4 GLU HA H 4 4.291 4.291 4.059 0.232 25613
1480 1 22 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.402 -2.326 25613
1481 1 22 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.654 -0.871 25613
1482 1 22 . 1 1 4 4 GLU H H 4 8.161 8.161 8.623 -0.462 25613
1483 1 22 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.103 0.022 25613
1484 1 22 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.753 -0.170 25613
1485 1 22 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.371 0.647 25613
1486 1 22 . 1 1 5 5 GLN H H 5 8.290 8.290 7.777 0.513 25613
1487 1 22 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.450 0.509 25613
1488 1 22 . 1 1 6 6 CYS H H 6 8.369 8.369 8.235 0.134 25613
1489 1 22 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.406 0.467 25613
1490 1 22 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.898 11.919 25613
1491 1 22 . 1 1 7 7 CYS H H 7 8.308 8.308 8.112 0.196 25613
1492 1 22 . 1 1 8 8 THR HA H 8 4.110 4.110 4.337 -0.227 25613
1493 1 22 . 1 1 8 8 THR CA C 8 64.398 64.398 63.455 0.944 25613
1494 1 22 . 1 1 8 8 THR CB C 8 68.493 68.493 69.115 -0.622 25613
1495 1 22 . 1 1 8 8 THR H H 8 8.233 8.233 8.204 0.029 25613
1496 1 22 . 1 1 9 9 SER HA H 9 4.816 4.816 4.692 0.124 25613
1497 1 22 . 1 1 9 9 SER CA C 9 55.989 55.989 56.893 -0.904 25613
1498 1 22 . 1 1 9 9 SER CB C 9 64.007 64.007 66.084 -2.077 25613
1499 1 22 . 1 1 9 9 SER H H 9 7.533 7.533 8.078 -0.545 25613
1500 1 22 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.151 0.227 25613
1501 1 22 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.910 -1.019 25613
1502 1 22 . 1 1 10 10 ILE CB C 10 38.925 38.925 38.785 0.140 25613
1503 1 22 . 1 1 10 10 ILE H H 10 7.876 7.876 8.289 -0.413 25613
1504 1 22 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.928 0.038 25613
1505 1 22 . 1 1 11 11 CYS H H 11 9.710 9.710 8.743 0.967 25613
1506 1 22 . 1 1 12 12 SER HA H 12 4.635 4.635 4.521 0.114 25613
1507 1 22 . 1 1 12 12 SER CA C 12 56.435 56.435 57.253 -0.818 25613
1508 1 22 . 1 1 12 12 SER CB C 12 65.596 65.596 64.081 1.515 25613
1509 1 22 . 1 1 12 12 SER H H 12 8.799 8.799 9.004 -0.205 25613
1510 1 22 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.765 0.122 25613
1511 1 22 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.489 -0.260 25613
1512 1 22 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.875 0.272 25613
1513 1 22 . 1 1 13 13 LEU H H 13 8.652 8.652 8.357 0.295 25613
1514 1 22 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.102 0.091 25613
1515 1 22 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.461 -0.481 25613
1516 1 22 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.756 0.865 25613
1517 1 22 . 1 1 14 14 TYR H H 14 7.517 7.517 7.046 0.471 25613
1518 1 22 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.922 0.093 25613
1519 1 22 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.328 0.134 25613
1520 1 22 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.414 0.533 25613
1521 1 22 . 1 1 15 15 GLN H H 15 7.581 7.581 7.438 0.143 25613
1522 1 22 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.360 0.845 25613
1523 1 22 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.247 0.788 25613
1524 1 22 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.444 0.423 25613
1525 1 22 . 1 1 16 16 LEU H H 16 8.084 8.084 7.860 0.224 25613
1526 1 22 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.033 0.194 25613
1527 1 22 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.093 -1.423 25613
1528 1 22 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.008 -0.032 25613
1529 1 22 . 1 1 17 17 GLU H H 17 8.121 8.121 8.070 0.051 25613
1530 1 22 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.596 -0.076 25613
1531 1 22 . 1 1 18 18 ASN CA C 18 54.719 54.719 55.063 -0.344 25613
1532 1 22 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.207 0.172 25613
1533 1 22 . 1 1 18 18 ASN H H 18 7.469 7.469 7.906 -0.437 25613
1534 1 22 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.535 -0.007 25613
1535 1 22 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.643 1.277 25613
1536 1 22 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.644 0.628 25613
1537 1 22 . 1 1 19 19 TYR H H 19 7.928 7.928 7.666 0.262 25613
1538 1 22 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.964 0.003 25613
1539 1 22 . 1 1 20 20 CYS CB C 20 35.810 35.810 30.193 5.617 25613
1540 1 22 . 1 1 20 20 CYS H H 20 7.484 7.484 7.615 -0.131 25613
1541 1 23 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.905 0.161 25613
1542 1 23 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.976 -5.483 25613
1543 1 23 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.110 -6.842 25613
1544 1 23 . 1 1 2 2 ILE H H 2 8.541 8.541 8.251 0.290 25613
1545 1 23 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.542 0.189 25613
1546 1 23 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.830 -2.058 25613
1547 1 23 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.256 0.340 25613
1548 1 23 . 1 1 3 3 VAL H H 3 8.164 8.164 8.090 0.074 25613
1549 1 23 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.975 0.316 25613
1550 1 23 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.740 -2.664 25613
1551 1 23 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.273 -1.490 25613
1552 1 23 . 1 1 4 4 GLU H H 4 8.161 8.161 8.005 0.156 25613
1553 1 23 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.101 0.024 25613
1554 1 23 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.817 -0.234 25613
1555 1 23 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.765 0.253 25613
1556 1 23 . 1 1 5 5 GLN H H 5 8.290 8.290 7.820 0.470 25613
1557 1 23 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.535 0.424 25613
1558 1 23 . 1 1 6 6 CYS H H 6 8.369 8.369 7.927 0.442 25613
1559 1 23 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.363 0.510 25613
1560 1 23 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.718 12.098 25613
1561 1 23 . 1 1 7 7 CYS H H 7 8.308 8.308 8.218 0.090 25613
1562 1 23 . 1 1 8 8 THR HA H 8 4.110 4.110 4.308 -0.198 25613
1563 1 23 . 1 1 8 8 THR CA C 8 64.398 64.398 63.712 0.686 25613
1564 1 23 . 1 1 8 8 THR CB C 8 68.493 68.493 69.313 -0.820 25613
1565 1 23 . 1 1 8 8 THR H H 8 8.233 8.233 8.202 0.031 25613
1566 1 23 . 1 1 9 9 SER HA H 9 4.816 4.816 4.705 0.111 25613
1567 1 23 . 1 1 9 9 SER CA C 9 55.989 55.989 56.505 -0.516 25613
1568 1 23 . 1 1 9 9 SER CB C 9 64.007 64.007 64.816 -0.809 25613
1569 1 23 . 1 1 9 9 SER H H 9 7.533 7.533 7.562 -0.029 25613
1570 1 23 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.163 0.215 25613
1571 1 23 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.733 -0.841 25613
1572 1 23 . 1 1 10 10 ILE CB C 10 38.925 38.925 38.257 0.668 25613
1573 1 23 . 1 1 10 10 ILE H H 10 7.876 7.876 8.395 -0.519 25613
1574 1 23 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.523 0.443 25613
1575 1 23 . 1 1 11 11 CYS H H 11 9.710 9.710 8.711 0.999 25613
1576 1 23 . 1 1 12 12 SER HA H 12 4.635 4.635 4.446 0.189 25613
1577 1 23 . 1 1 12 12 SER CA C 12 56.435 56.435 57.362 -0.927 25613
1578 1 23 . 1 1 12 12 SER CB C 12 65.596 65.596 63.967 1.629 25613
1579 1 23 . 1 1 12 12 SER H H 12 8.799 8.799 8.412 0.387 25613
1580 1 23 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.836 0.052 25613
1581 1 23 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.427 -0.198 25613
1582 1 23 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.033 0.114 25613
1583 1 23 . 1 1 13 13 LEU H H 13 8.652 8.652 8.248 0.404 25613
1584 1 23 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.527 -0.334 25613
1585 1 23 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.015 -0.035 25613
1586 1 23 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.677 0.944 25613
1587 1 23 . 1 1 14 14 TYR H H 14 7.517 7.517 7.060 0.457 25613
1588 1 23 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.983 0.032 25613
1589 1 23 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.542 -0.080 25613
1590 1 23 . 1 1 15 15 GLN CB C 15 28.947 28.947 27.934 1.013 25613
1591 1 23 . 1 1 15 15 GLN H H 15 7.581 7.581 8.181 -0.600 25613
1592 1 23 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.817 0.388 25613
1593 1 23 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.467 0.568 25613
1594 1 23 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.750 0.117 25613
1595 1 23 . 1 1 16 16 LEU H H 16 8.084 8.084 8.160 -0.076 25613
1596 1 23 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.081 0.146 25613
1597 1 23 . 1 1 17 17 GLU CA C 17 57.670 57.670 58.915 -1.245 25613
1598 1 23 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.342 -0.366 25613
1599 1 23 . 1 1 17 17 GLU H H 17 8.121 8.121 8.141 -0.020 25613
1600 1 23 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.557 -0.037 25613
1601 1 23 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.502 0.217 25613
1602 1 23 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.316 0.063 25613
1603 1 23 . 1 1 18 18 ASN H H 18 7.469 7.469 7.656 -0.187 25613
1604 1 23 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.519 0.009 25613
1605 1 23 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.478 1.442 25613
1606 1 23 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.355 -0.083 25613
1607 1 23 . 1 1 19 19 TYR H H 19 7.928 7.928 7.205 0.723 25613
1608 1 23 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.518 0.449 25613
1609 1 23 . 1 1 20 20 CYS CB C 20 35.810 35.810 27.636 8.174 25613
1610 1 23 . 1 1 20 20 CYS H H 20 7.484 7.484 7.589 -0.105 25613
1611 1 24 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.897 0.169 25613
1612 1 24 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.855 -5.362 25613
1613 1 24 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.229 -6.961 25613
1614 1 24 . 1 1 2 2 ILE H H 2 8.541 8.541 8.510 0.031 25613
1615 1 24 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.581 0.150 25613
1616 1 24 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.958 -2.186 25613
1617 1 24 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.366 0.230 25613
1618 1 24 . 1 1 3 3 VAL H H 3 8.164 8.164 8.029 0.135 25613
1619 1 24 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.986 0.305 25613
1620 1 24 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.854 -2.778 25613
1621 1 24 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.298 -1.515 25613
1622 1 24 . 1 1 4 4 GLU H H 4 8.161 8.161 8.387 -0.226 25613
1623 1 24 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.051 0.074 25613
1624 1 24 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.993 -0.410 25613
1625 1 24 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.760 0.258 25613
1626 1 24 . 1 1 5 5 GLN H H 5 8.290 8.290 7.928 0.362 25613
1627 1 24 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.462 0.497 25613
1628 1 24 . 1 1 6 6 CYS H H 6 8.369 8.369 8.186 0.183 25613
1629 1 24 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.415 0.458 25613
1630 1 24 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.864 11.953 25613
1631 1 24 . 1 1 7 7 CYS H H 7 8.308 8.308 8.240 0.068 25613
1632 1 24 . 1 1 8 8 THR HA H 8 4.110 4.110 4.311 -0.201 25613
1633 1 24 . 1 1 8 8 THR CA C 8 64.398 64.398 63.692 0.706 25613
1634 1 24 . 1 1 8 8 THR CB C 8 68.493 68.493 69.355 -0.862 25613
1635 1 24 . 1 1 8 8 THR H H 8 8.233 8.233 8.140 0.093 25613
1636 1 24 . 1 1 9 9 SER HA H 9 4.816 4.816 4.743 0.073 25613
1637 1 24 . 1 1 9 9 SER CA C 9 55.989 55.989 56.624 -0.635 25613
1638 1 24 . 1 1 9 9 SER CB C 9 64.007 64.007 64.916 -0.909 25613
1639 1 24 . 1 1 9 9 SER H H 9 7.533 7.533 7.970 -0.436 25613
1640 1 24 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.257 0.121 25613
1641 1 24 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.309 -0.418 25613
1642 1 24 . 1 1 10 10 ILE CB C 10 38.925 38.925 39.786 -0.861 25613
1643 1 24 . 1 1 10 10 ILE H H 10 7.876 7.876 8.329 -0.453 25613
1644 1 24 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.638 0.328 25613
1645 1 24 . 1 1 11 11 CYS H H 11 9.710 9.710 8.832 0.878 25613
1646 1 24 . 1 1 12 12 SER HA H 12 4.635 4.635 4.413 0.222 25613
1647 1 24 . 1 1 12 12 SER CA C 12 56.435 56.435 57.790 -1.355 25613
1648 1 24 . 1 1 12 12 SER CB C 12 65.596 65.596 63.811 1.785 25613
1649 1 24 . 1 1 12 12 SER H H 12 8.799 8.799 8.564 0.235 25613
1650 1 24 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.799 0.089 25613
1651 1 24 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.491 -0.262 25613
1652 1 24 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.903 0.244 25613
1653 1 24 . 1 1 13 13 LEU H H 13 8.652 8.652 8.361 0.291 25613
1654 1 24 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.172 0.021 25613
1655 1 24 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.416 -0.436 25613
1656 1 24 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.732 0.889 25613
1657 1 24 . 1 1 14 14 TYR H H 14 7.517 7.517 7.153 0.364 25613
1658 1 24 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.960 0.055 25613
1659 1 24 . 1 1 15 15 GLN CA C 15 58.462 58.462 57.998 0.464 25613
1660 1 24 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.016 0.931 25613
1661 1 24 . 1 1 15 15 GLN H H 15 7.581 7.581 7.465 0.116 25613
1662 1 24 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.635 0.570 25613
1663 1 24 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.174 0.861 25613
1664 1 24 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.672 0.195 25613
1665 1 24 . 1 1 16 16 LEU H H 16 8.084 8.084 7.900 0.184 25613
1666 1 24 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.074 0.153 25613
1667 1 24 . 1 1 17 17 GLU CA C 17 57.670 57.670 58.616 -0.946 25613
1668 1 24 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.123 -0.147 25613
1669 1 24 . 1 1 17 17 GLU H H 17 8.121 8.121 7.881 0.240 25613
1670 1 24 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.568 -0.048 25613
1671 1 24 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.741 -0.022 25613
1672 1 24 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.556 -0.177 25613
1673 1 24 . 1 1 18 18 ASN H H 18 7.469 7.469 7.810 -0.341 25613
1674 1 24 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.516 0.012 25613
1675 1 24 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.574 1.346 25613
1676 1 24 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.553 -0.281 25613
1677 1 24 . 1 1 19 19 TYR H H 19 7.928 7.928 7.226 0.702 25613
1678 1 24 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.690 0.277 25613
1679 1 24 . 1 1 20 20 CYS CB C 20 35.810 35.810 28.800 7.010 25613
1680 1 24 . 1 1 20 20 CYS H H 20 7.484 7.484 7.717 -0.233 25613
1681 1 25 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.886 0.180 25613
1682 1 25 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.417 -4.924 25613
1683 1 25 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.162 -6.894 25613
1684 1 25 . 1 1 2 2 ILE H H 2 8.541 8.541 8.276 0.265 25613
1685 1 25 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.532 0.199 25613
1686 1 25 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.092 -1.320 25613
1687 1 25 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.484 0.112 25613
1688 1 25 . 1 1 3 3 VAL H H 3 8.164 8.164 8.011 0.153 25613
1689 1 25 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.994 0.297 25613
1690 1 25 . 1 1 4 4 GLU CA C 4 57.076 57.076 58.955 -1.879 25613
1691 1 25 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.786 -1.003 25613
1692 1 25 . 1 1 4 4 GLU H H 4 8.161 8.161 7.903 0.258 25613
1693 1 25 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.073 0.052 25613
1694 1 25 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.754 -0.171 25613
1695 1 25 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.758 0.260 25613
1696 1 25 . 1 1 5 5 GLN H H 5 8.290 8.290 7.673 0.617 25613
1697 1 25 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.476 0.483 25613
1698 1 25 . 1 1 6 6 CYS H H 6 8.369 8.369 8.297 0.072 25613
1699 1 25 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.356 0.517 25613
1700 1 25 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.971 11.846 25613
1701 1 25 . 1 1 7 7 CYS H H 7 8.308 8.308 7.461 0.847 25613
1702 1 25 . 1 1 8 8 THR HA H 8 4.110 4.110 4.311 -0.201 25613
1703 1 25 . 1 1 8 8 THR CA C 8 64.398 64.398 64.118 0.280 25613
1704 1 25 . 1 1 8 8 THR CB C 8 68.493 68.493 69.338 -0.845 25613
1705 1 25 . 1 1 8 8 THR H H 8 8.233 8.233 8.188 0.045 25613
1706 1 25 . 1 1 9 9 SER HA H 9 4.816 4.816 4.742 0.074 25613
1707 1 25 . 1 1 9 9 SER CA C 9 55.989 55.989 56.603 -0.615 25613
1708 1 25 . 1 1 9 9 SER CB C 9 64.007 64.007 65.106 -1.099 25613
1709 1 25 . 1 1 9 9 SER H H 9 7.533 7.533 7.773 -0.240 25613
1710 1 25 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.225 0.153 25613
1711 1 25 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.388 -0.497 25613
1712 1 25 . 1 1 10 10 ILE CB C 10 38.925 38.925 39.143 -0.218 25613
1713 1 25 . 1 1 10 10 ILE H H 10 7.876 7.876 8.396 -0.520 25613
1714 1 25 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.851 0.115 25613
1715 1 25 . 1 1 11 11 CYS H H 11 9.710 9.710 8.887 0.823 25613
1716 1 25 . 1 1 12 12 SER HA H 12 4.635 4.635 4.309 0.326 25613
1717 1 25 . 1 1 12 12 SER CA C 12 56.435 56.435 58.250 -1.815 25613
1718 1 25 . 1 1 12 12 SER CB C 12 65.596 65.596 63.944 1.652 25613
1719 1 25 . 1 1 12 12 SER H H 12 8.799 8.799 8.820 -0.021 25613
1720 1 25 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.871 0.017 25613
1721 1 25 . 1 1 13 13 LEU CA C 13 58.229 58.229 57.930 0.299 25613
1722 1 25 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.094 0.052 25613
1723 1 25 . 1 1 13 13 LEU H H 13 8.652 8.652 8.337 0.315 25613
1724 1 25 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.570 -0.377 25613
1725 1 25 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.083 -0.103 25613
1726 1 25 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.940 0.681 25613
1727 1 25 . 1 1 14 14 TYR H H 14 7.517 7.517 7.140 0.377 25613
1728 1 25 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.804 0.211 25613
1729 1 25 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.356 0.106 25613
1730 1 25 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.370 0.577 25613
1731 1 25 . 1 1 15 15 GLN H H 15 7.581 7.581 7.525 0.056 25613
1732 1 25 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.713 0.492 25613
1733 1 25 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.890 0.145 25613
1734 1 25 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.669 0.198 25613
1735 1 25 . 1 1 16 16 LEU H H 16 8.084 8.084 8.081 0.003 25613
1736 1 25 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.016 0.211 25613
1737 1 25 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.016 -1.345 25613
1738 1 25 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.416 -0.441 25613
1739 1 25 . 1 1 17 17 GLU H H 17 8.121 8.121 8.002 0.119 25613
1740 1 25 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.548 -0.028 25613
1741 1 25 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.581 0.138 25613
1742 1 25 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.374 0.005 25613
1743 1 25 . 1 1 18 18 ASN H H 18 7.469 7.469 7.881 -0.412 25613
1744 1 25 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.462 0.066 25613
1745 1 25 . 1 1 19 19 TYR CA C 19 58.920 58.920 58.101 0.819 25613
1746 1 25 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.103 0.169 25613
1747 1 25 . 1 1 19 19 TYR H H 19 7.928 7.928 7.171 0.757 25613
1748 1 25 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.586 0.381 25613
1749 1 25 . 1 1 20 20 CYS CB C 20 35.810 35.810 28.470 7.340 25613
1750 1 25 . 1 1 20 20 CYS H H 20 7.484 7.484 7.802 -0.318 25613
1751 1 26 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.934 0.132 25613
1752 1 26 . 1 1 2 2 ILE CA C 2 57.493 57.493 63.197 -5.704 25613
1753 1 26 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.177 -6.909 25613
1754 1 26 . 1 1 2 2 ILE H H 2 8.541 8.541 8.293 0.248 25613
1755 1 26 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.630 0.101 25613
1756 1 26 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.542 -1.770 25613
1757 1 26 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.184 0.412 25613
1758 1 26 . 1 1 3 3 VAL H H 3 8.164 8.164 8.154 0.010 25613
1759 1 26 . 1 1 4 4 GLU HA H 4 4.291 4.291 4.006 0.285 25613
1760 1 26 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.664 -2.588 25613
1761 1 26 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.414 -1.631 25613
1762 1 26 . 1 1 4 4 GLU H H 4 8.161 8.161 8.397 -0.236 25613
1763 1 26 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.082 0.043 25613
1764 1 26 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.798 -0.215 25613
1765 1 26 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.553 0.465 25613
1766 1 26 . 1 1 5 5 GLN H H 5 8.290 8.290 8.054 0.236 25613
1767 1 26 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.461 0.498 25613
1768 1 26 . 1 1 6 6 CYS H H 6 8.369 8.369 8.157 0.212 25613
1769 1 26 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.335 0.538 25613
1770 1 26 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.710 12.107 25613
1771 1 26 . 1 1 7 7 CYS H H 7 8.308 8.308 8.157 0.151 25613
1772 1 26 . 1 1 8 8 THR HA H 8 4.110 4.110 4.387 -0.277 25613
1773 1 26 . 1 1 8 8 THR CA C 8 64.398 64.398 63.437 0.961 25613
1774 1 26 . 1 1 8 8 THR CB C 8 68.493 68.493 69.021 -0.528 25613
1775 1 26 . 1 1 8 8 THR H H 8 8.233 8.233 8.158 0.075 25613
1776 1 26 . 1 1 9 9 SER HA H 9 4.816 4.816 4.722 0.094 25613
1777 1 26 . 1 1 9 9 SER CA C 9 55.989 55.989 57.014 -1.025 25613
1778 1 26 . 1 1 9 9 SER CB C 9 64.007 64.007 65.741 -1.734 25613
1779 1 26 . 1 1 9 9 SER H H 9 7.533 7.533 7.914 -0.381 25613
1780 1 26 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.265 0.113 25613
1781 1 26 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.579 -0.688 25613
1782 1 26 . 1 1 10 10 ILE CB C 10 38.925 38.925 38.839 0.086 25613
1783 1 26 . 1 1 10 10 ILE H H 10 7.876 7.876 8.268 -0.392 25613
1784 1 26 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.653 0.313 25613
1785 1 26 . 1 1 11 11 CYS H H 11 9.710 9.710 8.732 0.978 25613
1786 1 26 . 1 1 12 12 SER HA H 12 4.635 4.635 4.609 0.026 25613
1787 1 26 . 1 1 12 12 SER CA C 12 56.435 56.435 57.307 -0.872 25613
1788 1 26 . 1 1 12 12 SER CB C 12 65.596 65.596 64.764 0.832 25613
1789 1 26 . 1 1 12 12 SER H H 12 8.799 8.799 8.053 0.746 25613
1790 1 26 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.823 0.065 25613
1791 1 26 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.086 0.143 25613
1792 1 26 . 1 1 13 13 LEU CB C 13 41.147 41.147 41.029 0.118 25613
1793 1 26 . 1 1 13 13 LEU H H 13 8.652 8.652 8.501 0.151 25613
1794 1 26 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.221 -0.028 25613
1795 1 26 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.702 -0.722 25613
1796 1 26 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.537 1.084 25613
1797 1 26 . 1 1 14 14 TYR H H 14 7.517 7.517 7.375 0.142 25613
1798 1 26 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.903 0.112 25613
1799 1 26 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.797 -0.335 25613
1800 1 26 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.092 0.855 25613
1801 1 26 . 1 1 15 15 GLN H H 15 7.581 7.581 8.220 -0.639 25613
1802 1 26 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.714 0.491 25613
1803 1 26 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.224 0.811 25613
1804 1 26 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.689 0.178 25613
1805 1 26 . 1 1 16 16 LEU H H 16 8.084 8.084 7.979 0.105 25613
1806 1 26 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.986 0.241 25613
1807 1 26 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.340 -1.670 25613
1808 1 26 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.149 -0.173 25613
1809 1 26 . 1 1 17 17 GLU H H 17 8.121 8.121 8.314 -0.193 25613
1810 1 26 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.536 -0.016 25613
1811 1 26 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.686 0.033 25613
1812 1 26 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.447 -0.068 25613
1813 1 26 . 1 1 18 18 ASN H H 18 7.469 7.469 7.752 -0.283 25613
1814 1 26 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.613 -0.085 25613
1815 1 26 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.337 2.583 25613
1816 1 26 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.768 0.504 25613
1817 1 26 . 1 1 19 19 TYR H H 19 7.928 7.928 7.289 0.639 25613
1818 1 26 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.663 0.304 25613
1819 1 26 . 1 1 20 20 CYS CB C 20 35.810 35.810 28.166 7.644 25613
1820 1 26 . 1 1 20 20 CYS H H 20 7.484 7.484 7.897 -0.413 25613
1821 1 27 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.996 0.070 25613
1822 1 27 . 1 1 2 2 ILE CA C 2 57.493 57.493 61.936 -4.443 25613
1823 1 27 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.559 -7.291 25613
1824 1 27 . 1 1 2 2 ILE H H 2 8.541 8.541 8.340 0.201 25613
1825 1 27 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.826 -0.095 25613
1826 1 27 . 1 1 3 3 VAL CA C 3 64.772 64.772 65.992 -1.220 25613
1827 1 27 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.140 0.456 25613
1828 1 27 . 1 1 3 3 VAL H H 3 8.164 8.164 7.837 0.327 25613
1829 1 27 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.985 0.306 25613
1830 1 27 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.255 -2.179 25613
1831 1 27 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.756 -0.973 25613
1832 1 27 . 1 1 4 4 GLU H H 4 8.161 8.161 8.542 -0.381 25613
1833 1 27 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.163 -0.038 25613
1834 1 27 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.848 -0.265 25613
1835 1 27 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.783 0.235 25613
1836 1 27 . 1 1 5 5 GLN H H 5 8.290 8.290 7.663 0.627 25613
1837 1 27 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.596 0.363 25613
1838 1 27 . 1 1 6 6 CYS H H 6 8.369 8.369 7.973 0.396 25613
1839 1 27 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.366 0.507 25613
1840 1 27 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.992 11.825 25613
1841 1 27 . 1 1 7 7 CYS H H 7 8.308 8.308 8.228 0.080 25613
1842 1 27 . 1 1 8 8 THR HA H 8 4.110 4.110 4.294 -0.184 25613
1843 1 27 . 1 1 8 8 THR CA C 8 64.398 64.398 64.085 0.313 25613
1844 1 27 . 1 1 8 8 THR CB C 8 68.493 68.493 69.299 -0.806 25613
1845 1 27 . 1 1 8 8 THR H H 8 8.233 8.233 8.104 0.129 25613
1846 1 27 . 1 1 9 9 SER HA H 9 4.816 4.816 4.718 0.098 25613
1847 1 27 . 1 1 9 9 SER CA C 9 55.989 55.989 56.946 -0.957 25613
1848 1 27 . 1 1 9 9 SER CB C 9 64.007 64.007 65.964 -1.957 25613
1849 1 27 . 1 1 9 9 SER H H 9 7.533 7.533 7.732 -0.199 25613
1850 1 27 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.203 0.175 25613
1851 1 27 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.486 -0.595 25613
1852 1 27 . 1 1 10 10 ILE CB C 10 38.925 38.925 39.028 -0.103 25613
1853 1 27 . 1 1 10 10 ILE H H 10 7.876 7.876 8.327 -0.451 25613
1854 1 27 . 1 1 11 11 CYS HA H 11 4.966 4.966 5.023 -0.057 25613
1855 1 27 . 1 1 11 11 CYS H H 11 9.710 9.710 8.711 0.999 25613
1856 1 27 . 1 1 12 12 SER HA H 12 4.635 4.635 4.645 -0.010 25613
1857 1 27 . 1 1 12 12 SER CA C 12 56.435 56.435 57.443 -1.008 25613
1858 1 27 . 1 1 12 12 SER CB C 12 65.596 65.596 64.322 1.274 25613
1859 1 27 . 1 1 12 12 SER H H 12 8.799 8.799 9.086 -0.287 25613
1860 1 27 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.815 0.073 25613
1861 1 27 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.584 -0.354 25613
1862 1 27 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.745 0.402 25613
1863 1 27 . 1 1 13 13 LEU H H 13 8.652 8.652 8.452 0.200 25613
1864 1 27 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.144 0.049 25613
1865 1 27 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.598 -0.618 25613
1866 1 27 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.749 0.872 25613
1867 1 27 . 1 1 14 14 TYR H H 14 7.517 7.517 7.089 0.428 25613
1868 1 27 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.816 0.199 25613
1869 1 27 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.611 -0.149 25613
1870 1 27 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.328 0.619 25613
1871 1 27 . 1 1 15 15 GLN H H 15 7.581 7.581 7.688 -0.107 25613
1872 1 27 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.677 0.528 25613
1873 1 27 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.634 0.401 25613
1874 1 27 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.970 -0.103 25613
1875 1 27 . 1 1 16 16 LEU H H 16 8.084 8.084 8.153 -0.069 25613
1876 1 27 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.079 0.148 25613
1877 1 27 . 1 1 17 17 GLU CA C 17 57.670 57.670 58.179 -0.509 25613
1878 1 27 . 1 1 17 17 GLU CB C 17 28.976 28.976 28.731 0.245 25613
1879 1 27 . 1 1 17 17 GLU H H 17 8.121 8.121 8.538 -0.417 25613
1880 1 27 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.520 -0.000 25613
1881 1 27 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.512 0.207 25613
1882 1 27 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.188 0.191 25613
1883 1 27 . 1 1 18 18 ASN H H 18 7.469 7.469 7.722 -0.253 25613
1884 1 27 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.569 -0.041 25613
1885 1 27 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.173 1.747 25613
1886 1 27 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.200 0.072 25613
1887 1 27 . 1 1 19 19 TYR H H 19 7.928 7.928 7.491 0.437 25613
1888 1 27 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.606 0.361 25613
1889 1 27 . 1 1 20 20 CYS CB C 20 35.810 35.810 27.849 7.961 25613
1890 1 27 . 1 1 20 20 CYS H H 20 7.484 7.484 7.662 -0.178 25613
1891 1 28 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.851 0.215 25613
1892 1 28 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.311 -4.818 25613
1893 1 28 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.376 -7.108 25613
1894 1 28 . 1 1 2 2 ILE H H 2 8.541 8.541 8.365 0.176 25613
1895 1 28 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.395 0.336 25613
1896 1 28 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.288 -1.516 25613
1897 1 28 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.472 0.124 25613
1898 1 28 . 1 1 3 3 VAL H H 3 8.164 8.164 8.017 0.147 25613
1899 1 28 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.963 0.328 25613
1900 1 28 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.553 -2.477 25613
1901 1 28 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.385 -1.602 25613
1902 1 28 . 1 1 4 4 GLU H H 4 8.161 8.161 7.878 0.283 25613
1903 1 28 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.089 0.036 25613
1904 1 28 . 1 1 5 5 GLN CA C 5 58.583 58.583 59.100 -0.517 25613
1905 1 28 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.803 0.215 25613
1906 1 28 . 1 1 5 5 GLN H H 5 8.290 8.290 7.651 0.639 25613
1907 1 28 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.399 0.560 25613
1908 1 28 . 1 1 6 6 CYS H H 6 8.369 8.369 8.312 0.057 25613
1909 1 28 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.395 0.478 25613
1910 1 28 . 1 1 7 7 CYS CB C 7 38.817 38.817 27.022 11.795 25613
1911 1 28 . 1 1 7 7 CYS H H 7 8.308 8.308 7.759 0.549 25613
1912 1 28 . 1 1 8 8 THR HA H 8 4.110 4.110 4.281 -0.171 25613
1913 1 28 . 1 1 8 8 THR CA C 8 64.398 64.398 64.388 0.010 25613
1914 1 28 . 1 1 8 8 THR CB C 8 68.493 68.493 69.224 -0.731 25613
1915 1 28 . 1 1 8 8 THR H H 8 8.233 8.233 8.329 -0.096 25613
1916 1 28 . 1 1 9 9 SER HA H 9 4.816 4.816 4.712 0.104 25613
1917 1 28 . 1 1 9 9 SER CA C 9 55.989 55.989 56.757 -0.768 25613
1918 1 28 . 1 1 9 9 SER CB C 9 64.007 64.007 65.538 -1.531 25613
1919 1 28 . 1 1 9 9 SER H H 9 7.533 7.533 7.663 -0.130 25613
1920 1 28 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.114 0.264 25613
1921 1 28 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.759 -0.868 25613
1922 1 28 . 1 1 10 10 ILE CB C 10 38.925 38.925 38.743 0.182 25613
1923 1 28 . 1 1 10 10 ILE H H 10 7.876 7.876 8.199 -0.323 25613
1924 1 28 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.630 0.336 25613
1925 1 28 . 1 1 11 11 CYS H H 11 9.710 9.710 8.727 0.983 25613
1926 1 28 . 1 1 12 12 SER HA H 12 4.635 4.635 4.637 -0.002 25613
1927 1 28 . 1 1 12 12 SER CA C 12 56.435 56.435 56.779 -0.344 25613
1928 1 28 . 1 1 12 12 SER CB C 12 65.596 65.596 65.220 0.376 25613
1929 1 28 . 1 1 12 12 SER H H 12 8.799 8.799 8.099 0.700 25613
1930 1 28 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.751 0.137 25613
1931 1 28 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.132 0.097 25613
1932 1 28 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.976 0.171 25613
1933 1 28 . 1 1 13 13 LEU H H 13 8.652 8.652 8.400 0.252 25613
1934 1 28 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.206 -0.013 25613
1935 1 28 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.867 -0.887 25613
1936 1 28 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.561 1.060 25613
1937 1 28 . 1 1 14 14 TYR H H 14 7.517 7.517 7.023 0.494 25613
1938 1 28 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.924 0.091 25613
1939 1 28 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.722 -0.260 25613
1940 1 28 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.132 0.815 25613
1941 1 28 . 1 1 15 15 GLN H H 15 7.581 7.581 8.090 -0.509 25613
1942 1 28 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.581 0.624 25613
1943 1 28 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.453 0.582 25613
1944 1 28 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.684 0.183 25613
1945 1 28 . 1 1 16 16 LEU H H 16 8.084 8.084 7.812 0.272 25613
1946 1 28 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.000 0.227 25613
1947 1 28 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.190 -1.520 25613
1948 1 28 . 1 1 17 17 GLU CB C 17 28.976 28.976 28.990 -0.014 25613
1949 1 28 . 1 1 17 17 GLU H H 17 8.121 8.121 8.282 -0.161 25613
1950 1 28 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.521 -0.001 25613
1951 1 28 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.602 0.117 25613
1952 1 28 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.222 0.157 25613
1953 1 28 . 1 1 18 18 ASN H H 18 7.469 7.469 7.774 -0.305 25613
1954 1 28 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.544 -0.016 25613
1955 1 28 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.618 1.302 25613
1956 1 28 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.121 0.151 25613
1957 1 28 . 1 1 19 19 TYR H H 19 7.928 7.928 7.471 0.457 25613
1958 1 28 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.727 0.240 25613
1959 1 28 . 1 1 20 20 CYS CB C 20 35.810 35.810 29.068 6.742 25613
1960 1 28 . 1 1 20 20 CYS H H 20 7.484 7.484 7.545 -0.061 25613
1961 1 29 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.821 0.245 25613
1962 1 29 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.716 -5.223 25613
1963 1 29 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.360 -7.092 25613
1964 1 29 . 1 1 2 2 ILE H H 2 8.541 8.541 8.287 0.254 25613
1965 1 29 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.575 0.156 25613
1966 1 29 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.786 -2.014 25613
1967 1 29 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.076 0.520 25613
1968 1 29 . 1 1 3 3 VAL H H 3 8.164 8.164 8.156 0.008 25613
1969 1 29 . 1 1 4 4 GLU HA H 4 4.291 4.291 4.002 0.289 25613
1970 1 29 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.101 -2.025 25613
1971 1 29 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.637 -0.854 25613
1972 1 29 . 1 1 4 4 GLU H H 4 8.161 8.161 8.225 -0.064 25613
1973 1 29 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.083 0.042 25613
1974 1 29 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.979 -0.396 25613
1975 1 29 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.776 0.242 25613
1976 1 29 . 1 1 5 5 GLN H H 5 8.290 8.290 7.646 0.644 25613
1977 1 29 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.341 0.618 25613
1978 1 29 . 1 1 6 6 CYS H H 6 8.369 8.369 8.313 0.056 25613
1979 1 29 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.276 0.597 25613
1980 1 29 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.833 11.984 25613
1981 1 29 . 1 1 7 7 CYS H H 7 8.308 8.308 8.014 0.294 25613
1982 1 29 . 1 1 8 8 THR HA H 8 4.110 4.110 4.293 -0.183 25613
1983 1 29 . 1 1 8 8 THR CA C 8 64.398 64.398 63.988 0.410 25613
1984 1 29 . 1 1 8 8 THR CB C 8 68.493 68.493 69.621 -1.128 25613
1985 1 29 . 1 1 8 8 THR H H 8 8.233 8.233 8.197 0.036 25613
1986 1 29 . 1 1 9 9 SER HA H 9 4.816 4.816 4.699 0.117 25613
1987 1 29 . 1 1 9 9 SER CA C 9 55.989 55.989 56.903 -0.914 25613
1988 1 29 . 1 1 9 9 SER CB C 9 64.007 64.007 64.849 -0.842 25613
1989 1 29 . 1 1 9 9 SER H H 9 7.533 7.533 7.983 -0.450 25613
1990 1 29 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.173 0.205 25613
1991 1 29 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.389 -0.498 25613
1992 1 29 . 1 1 10 10 ILE CB C 10 38.925 38.925 37.103 1.822 25613
1993 1 29 . 1 1 10 10 ILE H H 10 7.876 7.876 8.286 -0.410 25613
1994 1 29 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.661 0.305 25613
1995 1 29 . 1 1 11 11 CYS H H 11 9.710 9.710 8.896 0.814 25613
1996 1 29 . 1 1 12 12 SER HA H 12 4.635 4.635 4.637 -0.002 25613
1997 1 29 . 1 1 12 12 SER CA C 12 56.435 56.435 57.045 -0.610 25613
1998 1 29 . 1 1 12 12 SER CB C 12 65.596 65.596 65.493 0.103 25613
1999 1 29 . 1 1 12 12 SER H H 12 8.799 8.799 8.289 0.510 25613
2000 1 29 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.742 0.146 25613
2001 1 29 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.025 0.204 25613
2002 1 29 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.988 0.159 25613
2003 1 29 . 1 1 13 13 LEU H H 13 8.652 8.652 8.382 0.270 25613
2004 1 29 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.187 0.006 25613
2005 1 29 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.256 -0.276 25613
2006 1 29 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.260 1.361 25613
2007 1 29 . 1 1 14 14 TYR H H 14 7.517 7.517 6.946 0.571 25613
2008 1 29 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.954 0.061 25613
2009 1 29 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.861 -0.399 25613
2010 1 29 . 1 1 15 15 GLN CB C 15 28.947 28.947 27.991 0.956 25613
2011 1 29 . 1 1 15 15 GLN H H 15 7.581 7.581 8.156 -0.575 25613
2012 1 29 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.478 0.727 25613
2013 1 29 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.634 0.401 25613
2014 1 29 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.665 0.202 25613
2015 1 29 . 1 1 16 16 LEU H H 16 8.084 8.084 8.221 -0.137 25613
2016 1 29 . 1 1 17 17 GLU HA H 17 4.227 4.227 3.925 0.302 25613
2017 1 29 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.322 -1.652 25613
2018 1 29 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.156 -0.180 25613
2019 1 29 . 1 1 17 17 GLU H H 17 8.121 8.121 8.489 -0.368 25613
2020 1 29 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.498 0.022 25613
2021 1 29 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.998 -0.279 25613
2022 1 29 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.174 0.205 25613
2023 1 29 . 1 1 18 18 ASN H H 18 7.469 7.469 7.791 -0.322 25613
2024 1 29 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.546 -0.018 25613
2025 1 29 . 1 1 19 19 TYR CA C 19 58.920 58.920 57.271 1.649 25613
2026 1 29 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.138 0.134 25613
2027 1 29 . 1 1 19 19 TYR H H 19 7.928 7.928 7.380 0.548 25613
2028 1 29 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.842 0.125 25613
2029 1 29 . 1 1 20 20 CYS CB C 20 35.810 35.810 29.812 5.998 25613
2030 1 29 . 1 1 20 20 CYS H H 20 7.484 7.484 7.714 -0.230 25613
2031 1 30 . 1 1 2 2 ILE HA H 2 4.066 4.066 3.895 0.171 25613
2032 1 30 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.044 -4.551 25613
2033 1 30 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.516 -7.248 25613
2034 1 30 . 1 1 2 2 ILE H H 2 8.541 8.541 8.229 0.312 25613
2035 1 30 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.667 0.064 25613
2036 1 30 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.484 -1.712 25613
2037 1 30 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.261 0.335 25613
2038 1 30 . 1 1 3 3 VAL H H 3 8.164 8.164 7.946 0.218 25613
2039 1 30 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.911 0.380 25613
2040 1 30 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.298 -2.222 25613
2041 1 30 . 1 1 4 4 GLU CB C 4 27.783 27.783 28.593 -0.809 25613
2042 1 30 . 1 1 4 4 GLU H H 4 8.161 8.161 8.192 -0.031 25613
2043 1 30 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.121 0.004 25613
2044 1 30 . 1 1 5 5 GLN CA C 5 58.583 58.583 59.128 -0.545 25613
2045 1 30 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.599 0.418 25613
2046 1 30 . 1 1 5 5 GLN H H 5 8.290 8.290 7.646 0.644 25613
2047 1 30 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.663 0.296 25613
2048 1 30 . 1 1 6 6 CYS H H 6 8.369 8.369 8.145 0.224 25613
2049 1 30 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.332 0.541 25613
2050 1 30 . 1 1 7 7 CYS CB C 7 38.817 38.817 27.084 11.733 25613
2051 1 30 . 1 1 7 7 CYS H H 7 8.308 8.308 8.209 0.099 25613
2052 1 30 . 1 1 8 8 THR HA H 8 4.110 4.110 4.315 -0.205 25613
2053 1 30 . 1 1 8 8 THR CA C 8 64.398 64.398 63.778 0.620 25613
2054 1 30 . 1 1 8 8 THR CB C 8 68.493 68.493 69.308 -0.815 25613
2055 1 30 . 1 1 8 8 THR H H 8 8.233 8.233 8.237 -0.004 25613
2056 1 30 . 1 1 9 9 SER HA H 9 4.816 4.816 4.727 0.089 25613
2057 1 30 . 1 1 9 9 SER CA C 9 55.989 55.989 56.725 -0.736 25613
2058 1 30 . 1 1 9 9 SER CB C 9 64.007 64.007 65.829 -1.822 25613
2059 1 30 . 1 1 9 9 SER H H 9 7.533 7.533 8.019 -0.486 25613
2060 1 30 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.238 0.140 25613
2061 1 30 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.610 -0.719 25613
2062 1 30 . 1 1 10 10 ILE CB C 10 38.925 38.925 39.097 -0.173 25613
2063 1 30 . 1 1 10 10 ILE H H 10 7.876 7.876 8.242 -0.366 25613
2064 1 30 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.858 0.108 25613
2065 1 30 . 1 1 11 11 CYS H H 11 9.710 9.710 8.717 0.993 25613
2066 1 30 . 1 1 12 12 SER HA H 12 4.635 4.635 4.505 0.130 25613
2067 1 30 . 1 1 12 12 SER CA C 12 56.435 56.435 56.922 -0.487 25613
2068 1 30 . 1 1 12 12 SER CB C 12 65.596 65.596 64.035 1.561 25613
2069 1 30 . 1 1 12 12 SER H H 12 8.799 8.799 8.488 0.311 25613
2070 1 30 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.788 0.100 25613
2071 1 30 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.541 -0.312 25613
2072 1 30 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.920 0.227 25613
2073 1 30 . 1 1 13 13 LEU H H 13 8.652 8.652 8.293 0.359 25613
2074 1 30 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.447 -0.254 25613
2075 1 30 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.502 -0.522 25613
2076 1 30 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.543 1.078 25613
2077 1 30 . 1 1 14 14 TYR H H 14 7.517 7.517 7.014 0.503 25613
2078 1 30 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.897 0.118 25613
2079 1 30 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.645 -0.183 25613
2080 1 30 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.115 0.832 25613
2081 1 30 . 1 1 15 15 GLN H H 15 7.581 7.581 8.136 -0.555 25613
2082 1 30 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.629 0.576 25613
2083 1 30 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.389 0.646 25613
2084 1 30 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.729 0.138 25613
2085 1 30 . 1 1 16 16 LEU H H 16 8.084 8.084 7.860 0.224 25613
2086 1 30 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.064 0.163 25613
2087 1 30 . 1 1 17 17 GLU CA C 17 57.670 57.670 58.839 -1.169 25613
2088 1 30 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.312 -0.337 25613
2089 1 30 . 1 1 17 17 GLU H H 17 8.121 8.121 8.399 -0.278 25613
2090 1 30 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.527 -0.007 25613
2091 1 30 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.933 -0.214 25613
2092 1 30 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.227 0.152 25613
2093 1 30 . 1 1 18 18 ASN H H 18 7.469 7.469 7.889 -0.420 25613
2094 1 30 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.541 -0.013 25613
2095 1 30 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.852 2.068 25613
2096 1 30 . 1 1 19 19 TYR CB C 19 38.272 38.272 38.007 0.265 25613
2097 1 30 . 1 1 19 19 TYR H H 19 7.928 7.928 7.184 0.744 25613
2098 1 30 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.551 0.416 25613
2099 1 30 . 1 1 20 20 CYS CB C 20 35.810 35.810 27.768 8.042 25613
2100 1 30 . 1 1 20 20 CYS H H 20 7.484 7.484 7.628 -0.144 25613
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 25613
2 1 1 "Average Difference" HA 19 0.312 -0.189 0.254 25613
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25613
4 1 1 "Average Difference" CA 15 1.699 0.732 1.588 25613
5 1 1 "Average Difference" CB 17 3.723 -0.694 3.771 25613
6 1 1 "Average Difference" HN 19 0.381 -0.121 0.372 25613
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25613
8 1 2 "Average Difference" HA 19 0.296 -0.153 0.261 25613
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25613
10 1 2 "Average Difference" CA 15 1.662 0.623 1.595 25613
11 1 2 "Average Difference" CB 17 3.807 -0.784 3.840 25613
12 1 2 "Average Difference" HN 19 0.413 -0.092 0.414 25613
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25613
14 1 3 "Average Difference" HA 19 0.288 -0.177 0.233 25613
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25613
16 1 3 "Average Difference" CA 15 1.783 0.746 1.676 25613
17 1 3 "Average Difference" CB 17 3.679 -0.779 3.706 25613
18 1 3 "Average Difference" HN 19 0.393 -0.082 0.395 25613
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25613
20 1 4 "Average Difference" HA 19 0.347 -0.181 0.304 25613
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25613
22 1 4 "Average Difference" CA 15 1.496 0.529 1.449 25613
23 1 4 "Average Difference" CB 17 3.763 -0.825 3.784 25613
24 1 4 "Average Difference" HN 19 0.409 -0.099 0.407 25613
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25613
26 1 5 "Average Difference" HA 19 0.311 -0.229 0.216 25613
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25613
28 1 5 "Average Difference" CA 15 1.802 0.868 1.635 25613
29 1 5 "Average Difference" CB 17 3.784 -0.871 3.795 25613
30 1 5 "Average Difference" HN 19 0.418 -0.143 0.403 25613
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25613
32 1 6 "Average Difference" HA 19 0.355 -0.181 0.314 25613
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25613
34 1 6 "Average Difference" CA 15 1.699 0.700 1.602 25613
35 1 6 "Average Difference" CB 17 3.753 -0.759 3.788 25613
36 1 6 "Average Difference" HN 19 0.405 -0.114 0.399 25613
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25613
38 1 7 "Average Difference" HA 19 0.307 -0.198 0.242 25613
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25613
40 1 7 "Average Difference" CA 15 1.868 0.704 1.791 25613
41 1 7 "Average Difference" CB 17 3.966 -0.922 3.976 25613
42 1 7 "Average Difference" HN 19 0.429 -0.058 0.436 25613
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25613
44 1 8 "Average Difference" HA 19 0.346 -0.203 0.288 25613
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25613
46 1 8 "Average Difference" CA 15 1.660 0.677 1.569 25613
47 1 8 "Average Difference" CB 17 3.768 -0.742 3.808 25613
48 1 8 "Average Difference" HN 19 0.409 -0.113 0.404 25613
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25613
50 1 9 "Average Difference" HA 19 0.315 -0.211 0.241 25613
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25613
52 1 9 "Average Difference" CA 15 1.751 0.737 1.645 25613
53 1 9 "Average Difference" CB 17 3.813 -0.668 3.870 25613
54 1 9 "Average Difference" HN 19 0.426 -0.118 0.420 25613
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25613
56 1 10 "Average Difference" HA 19 0.310 -0.186 0.254 25613
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25613
58 1 10 "Average Difference" CA 15 1.753 0.617 1.698 25613
59 1 10 "Average Difference" CB 17 3.674 -0.762 3.704 25613
60 1 10 "Average Difference" HN 19 0.399 -0.131 0.388 25613
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25613
62 1 11 "Average Difference" HA 19 0.289 -0.144 0.257 25613
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25613
64 1 11 "Average Difference" CA 15 1.739 0.644 1.672 25613
65 1 11 "Average Difference" CB 17 3.657 -0.872 3.661 25613
66 1 11 "Average Difference" HN 19 0.411 -0.060 0.418 25613
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25613
68 1 12 "Average Difference" HA 19 0.327 -0.200 0.266 25613
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25613
70 1 12 "Average Difference" CA 15 1.489 0.600 1.411 25613
71 1 12 "Average Difference" CB 17 3.797 -0.866 3.811 25613
72 1 12 "Average Difference" HN 19 0.426 -0.100 0.425 25613
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25613
74 1 13 "Average Difference" HA 19 0.307 -0.192 0.247 25613
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25613
76 1 13 "Average Difference" CA 15 1.662 0.614 1.599 25613
77 1 13 "Average Difference" CB 17 3.989 -0.901 4.006 25613
78 1 13 "Average Difference" HN 19 0.420 -0.040 0.430 25613
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25613
80 1 14 "Average Difference" HA 19 0.292 -0.152 0.257 25613
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25613
82 1 14 "Average Difference" CA 15 1.843 0.799 1.718 25613
83 1 14 "Average Difference" CB 17 3.939 -0.838 3.967 25613
84 1 14 "Average Difference" HN 19 0.381 -0.007 0.391 25613
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25613
86 1 15 "Average Difference" HA 19 0.298 -0.191 0.236 25613
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25613
88 1 15 "Average Difference" CA 15 1.553 0.612 1.478 25613
89 1 15 "Average Difference" CB 17 3.680 -0.676 3.729 25613
90 1 15 "Average Difference" HN 19 0.395 -0.140 0.379 25613
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25613
92 1 16 "Average Difference" HA 19 0.255 -0.167 0.198 25613
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25613
94 1 16 "Average Difference" CA 15 1.751 0.731 1.647 25613
95 1 16 "Average Difference" CB 17 3.712 -0.680 3.761 25613
96 1 16 "Average Difference" HN 19 0.317 -0.058 0.320 25613
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25613
98 1 17 "Average Difference" HA 19 0.276 -0.198 0.198 25613
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25613
100 1 17 "Average Difference" CA 15 1.518 0.711 1.388 25613
101 1 17 "Average Difference" CB 17 3.945 -0.885 3.963 25613
102 1 17 "Average Difference" HN 19 0.424 -0.136 0.412 25613
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25613
104 1 18 "Average Difference" HA 19 0.243 -0.159 0.188 25613
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25613
106 1 18 "Average Difference" CA 15 1.782 0.771 1.663 25613
107 1 18 "Average Difference" CB 17 3.805 -0.768 3.841 25613
108 1 18 "Average Difference" HN 19 0.386 -0.191 0.345 25613
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25613
110 1 19 "Average Difference" HA 19 0.352 -0.212 0.289 25613
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25613
112 1 19 "Average Difference" CA 15 1.525 0.816 1.333 25613
113 1 19 "Average Difference" CB 17 3.900 -0.646 3.964 25613
114 1 19 "Average Difference" HN 19 0.436 -0.126 0.429 25613
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25613
116 1 20 "Average Difference" HA 19 0.309 -0.193 0.249 25613
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25613
118 1 20 "Average Difference" CA 15 1.810 0.797 1.682 25613
119 1 20 "Average Difference" CB 17 3.760 -0.844 3.777 25613
120 1 20 "Average Difference" HN 19 0.427 -0.107 0.425 25613
121 1 21 "Average Difference" N 0 0.000 0.000 0.000 25613
122 1 21 "Average Difference" HA 19 0.267 -0.171 0.211 25613
123 1 21 "Average Difference" C 0 0.000 0.000 0.000 25613
124 1 21 "Average Difference" CA 15 1.799 0.767 1.684 25613
125 1 21 "Average Difference" CB 17 3.896 -0.813 3.927 25613
126 1 21 "Average Difference" HN 19 0.387 -0.122 0.377 25613
127 1 22 "Average Difference" N 0 0.000 0.000 0.000 25613
128 1 22 "Average Difference" HA 19 0.278 -0.154 0.238 25613
129 1 22 "Average Difference" C 0 0.000 0.000 0.000 25613
130 1 22 "Average Difference" CA 15 1.690 0.780 1.553 25613
131 1 22 "Average Difference" CB 17 3.696 -0.751 3.730 25613
132 1 22 "Average Difference" HN 19 0.375 -0.069 0.378 25613
133 1 23 "Average Difference" N 0 0.000 0.000 0.000 25613
134 1 23 "Average Difference" HA 19 0.274 -0.163 0.226 25613
135 1 23 "Average Difference" C 0 0.000 0.000 0.000 25613
136 1 23 "Average Difference" CA 15 1.785 0.758 1.673 25613
137 1 23 "Average Difference" CB 17 3.977 -0.883 3.997 25613
138 1 23 "Average Difference" HN 19 0.414 -0.157 0.394 25613
139 1 24 "Average Difference" N 0 0.000 0.000 0.000 25613
140 1 24 "Average Difference" HA 19 0.258 -0.175 0.194 25613
141 1 24 "Average Difference" C 0 0.000 0.000 0.000 25613
142 1 24 "Average Difference" CA 15 1.794 0.762 1.680 25613
143 1 24 "Average Difference" CB 17 3.837 -0.693 3.890 25613
144 1 24 "Average Difference" HN 19 0.359 -0.115 0.350 25613
145 1 25 "Average Difference" N 0 0.000 0.000 0.000 25613
146 1 25 "Average Difference" HA 19 0.279 -0.167 0.229 25613
147 1 25 "Average Difference" C 0 0.000 0.000 0.000 25613
148 1 25 "Average Difference" CA 15 1.553 0.725 1.421 25613
149 1 25 "Average Difference" CB 17 3.824 -0.729 3.869 25613
150 1 25 "Average Difference" HN 19 0.421 -0.168 0.397 25613
151 1 26 "Average Difference" N 0 0.000 0.000 0.000 25613
152 1 26 "Average Difference" HA 19 0.258 -0.155 0.211 25613
153 1 26 "Average Difference" C 0 0.000 0.000 0.000 25613
154 1 26 "Average Difference" CA 15 1.939 0.737 1.856 25613
155 1 26 "Average Difference" CB 17 3.926 -0.779 3.966 25613
156 1 26 "Average Difference" HN 19 0.411 -0.061 0.418 25613
157 1 27 "Average Difference" N 0 0.000 0.000 0.000 25613
158 1 27 "Average Difference" HA 19 0.236 -0.129 0.203 25613
159 1 27 "Average Difference" C 0 0.000 0.000 0.000 25613
160 1 27 "Average Difference" CA 15 1.471 0.642 1.370 25613
161 1 27 "Average Difference" CB 17 3.949 -0.760 3.994 25613
162 1 27 "Average Difference" HN 19 0.390 -0.078 0.393 25613
163 1 28 "Average Difference" N 0 0.000 0.000 0.000 25613
164 1 28 "Average Difference" HA 19 0.286 -0.199 0.212 25613
165 1 28 "Average Difference" C 0 0.000 0.000 0.000 25613
166 1 28 "Average Difference" CA 15 1.604 0.791 1.444 25613
167 1 28 "Average Difference" CB 17 3.778 -0.646 3.837 25613
168 1 28 "Average Difference" HN 19 0.423 -0.180 0.394 25613
169 1 29 "Average Difference" N 0 0.000 0.000 0.000 25613
170 1 29 "Average Difference" HA 19 0.304 -0.198 0.237 25613
171 1 29 "Average Difference" C 0 0.000 0.000 0.000 25613
172 1 29 "Average Difference" CA 15 1.697 0.775 1.562 25613
173 1 29 "Average Difference" CB 17 3.751 -0.799 3.777 25613
174 1 29 "Average Difference" HN 19 0.411 -0.076 0.415 25613
175 1 30 "Average Difference" N 0 0.000 0.000 0.000 25613
176 1 30 "Average Difference" HA 19 0.259 -0.148 0.218 25613
177 1 30 "Average Difference" C 0 0.000 0.000 0.000 25613
178 1 30 "Average Difference" CA 15 1.572 0.669 1.472 25613
179 1 30 "Average Difference" CB 17 3.944 -0.799 3.981 25613
180 1 30 "Average Difference" HN 19 0.438 -0.123 0.432 25613
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 25613
_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 4.066 4.066 3.942 0.124 25613
2 1 . 1 1 2 2 ILE CA C 2 57.493 57.493 62.340 -4.847 25613
3 1 . 1 1 2 2 ILE CB C 2 31.268 31.268 38.247 -6.979 25613
4 1 . 1 1 2 2 ILE H H 2 8.541 8.541 8.297 0.244 25613
5 1 . 1 1 3 3 VAL HA H 3 3.731 3.731 3.563 0.168 25613
6 1 . 1 1 3 3 VAL CA C 3 64.772 64.772 66.534 -1.762 25613
7 1 . 1 1 3 3 VAL CB C 3 31.596 31.596 31.298 0.298 25613
8 1 . 1 1 3 3 VAL H H 3 8.164 8.164 8.046 0.118 25613
9 1 . 1 1 4 4 GLU HA H 4 4.291 4.291 3.973 0.318 25613
10 1 . 1 1 4 4 GLU CA C 4 57.076 57.076 59.556 -2.480 25613
11 1 . 1 1 4 4 GLU CB C 4 27.783 27.783 29.082 -1.299 25613
12 1 . 1 1 4 4 GLU H H 4 8.161 8.161 8.132 0.029 25613
13 1 . 1 1 5 5 GLN HA H 5 4.125 4.125 4.091 0.034 25613
14 1 . 1 1 5 5 GLN CA C 5 58.583 58.583 58.870 -0.287 25613
15 1 . 1 1 5 5 GLN CB C 5 29.018 29.018 28.670 0.348 25613
16 1 . 1 1 5 5 GLN H H 5 8.290 8.290 7.790 0.500 25613
17 1 . 1 1 6 6 CYS HA H 6 4.959 4.959 4.412 0.547 25613
18 1 . 1 1 6 6 CYS H H 6 8.369 8.369 8.172 0.197 25613
19 1 . 1 1 7 7 CYS HA H 7 4.873 4.873 4.330 0.543 25613
20 1 . 1 1 7 7 CYS CB C 7 38.817 38.817 26.795 12.022 25613
21 1 . 1 1 7 7 CYS H H 7 8.308 8.308 8.104 0.204 25613
22 1 . 1 1 8 8 THR HA H 8 4.110 4.110 4.288 -0.178 25613
23 1 . 1 1 8 8 THR CA C 8 64.398 64.398 63.949 0.449 25613
24 1 . 1 1 8 8 THR CB C 8 68.493 68.493 69.324 -0.831 25613
25 1 . 1 1 8 8 THR H H 8 8.233 8.233 8.197 0.036 25613
26 1 . 1 1 9 9 SER HA H 9 4.816 4.816 4.696 0.120 25613
27 1 . 1 1 9 9 SER CA C 9 55.989 55.989 56.861 -0.872 25613
28 1 . 1 1 9 9 SER CB C 9 64.007 64.007 65.232 -1.225 25613
29 1 . 1 1 9 9 SER H H 9 7.533 7.533 7.896 -0.363 25613
30 1 . 1 1 10 10 ILE HA H 10 4.378 4.378 4.173 0.205 25613
31 1 . 1 1 10 10 ILE CA C 10 59.891 59.891 60.634 -0.744 25613
32 1 . 1 1 10 10 ILE CB C 10 38.925 38.925 37.906 1.019 25613
33 1 . 1 1 10 10 ILE H H 10 7.876 7.876 8.309 -0.433 25613
34 1 . 1 1 11 11 CYS HA H 11 4.966 4.966 4.731 0.235 25613
35 1 . 1 1 11 11 CYS H H 11 9.710 9.710 8.760 0.950 25613
36 1 . 1 1 12 12 SER HA H 12 4.635 4.635 4.579 0.056 25613
37 1 . 1 1 12 12 SER CA C 12 56.435 56.435 57.258 -0.823 25613
38 1 . 1 1 12 12 SER CB C 12 65.596 65.596 64.647 0.949 25613
39 1 . 1 1 12 12 SER H H 12 8.799 8.799 8.565 0.234 25613
40 1 . 1 1 13 13 LEU HA H 13 3.888 3.888 3.809 0.079 25613
41 1 . 1 1 13 13 LEU CA C 13 58.229 58.229 58.180 0.049 25613
42 1 . 1 1 13 13 LEU CB C 13 41.147 41.147 40.947 0.200 25613
43 1 . 1 1 13 13 LEU H H 13 8.652 8.652 8.378 0.274 25613
44 1 . 1 1 14 14 TYR HA H 14 4.193 4.193 4.242 -0.049 25613
45 1 . 1 1 14 14 TYR CA C 14 59.980 59.980 60.437 -0.457 25613
46 1 . 1 1 14 14 TYR CB C 14 37.621 37.621 36.622 0.999 25613
47 1 . 1 1 14 14 TYR H H 14 7.517 7.517 7.106 0.411 25613
48 1 . 1 1 15 15 GLN HA H 15 4.015 4.015 3.900 0.115 25613
49 1 . 1 1 15 15 GLN CA C 15 58.462 58.462 58.572 -0.110 25613
50 1 . 1 1 15 15 GLN CB C 15 28.947 28.947 28.218 0.729 25613
51 1 . 1 1 15 15 GLN H H 15 7.581 7.581 7.785 -0.204 25613
52 1 . 1 1 16 16 LEU HA H 16 4.205 4.205 3.501 0.705 25613
53 1 . 1 1 16 16 LEU CA C 16 58.035 58.035 57.449 0.586 25613
54 1 . 1 1 16 16 LEU CB C 16 41.867 41.867 41.686 0.181 25613
55 1 . 1 1 16 16 LEU H H 16 8.084 8.084 7.993 0.091 25613
56 1 . 1 1 17 17 GLU HA H 17 4.227 4.227 4.007 0.220 25613
57 1 . 1 1 17 17 GLU CA C 17 57.670 57.670 59.091 -1.421 25613
58 1 . 1 1 17 17 GLU CB C 17 28.976 28.976 29.142 -0.166 25613
59 1 . 1 1 17 17 GLU H H 17 8.121 8.121 8.310 -0.189 25613
60 1 . 1 1 18 18 ASN HA H 18 4.520 4.520 4.541 -0.021 25613
61 1 . 1 1 18 18 ASN CA C 18 54.719 54.719 54.732 -0.013 25613
62 1 . 1 1 18 18 ASN CB C 18 38.379 38.379 38.313 0.066 25613
63 1 . 1 1 18 18 ASN H H 18 7.469 7.469 7.855 -0.386 25613
64 1 . 1 1 19 19 TYR HA H 19 4.528 4.528 4.556 -0.029 25613
65 1 . 1 1 19 19 TYR CA C 19 58.920 58.920 56.905 2.015 25613
66 1 . 1 1 19 19 TYR CB C 19 38.272 38.272 37.906 0.366 25613
67 1 . 1 1 19 19 TYR H H 19 7.928 7.928 7.407 0.521 25613
68 1 . 1 1 20 20 CYS HA H 20 4.967 4.967 4.756 0.211 25613
69 1 . 1 1 20 20 CYS CB C 20 35.810 35.810 29.207 6.603 25613
70 1 . 1 1 20 20 CYS H H 20 7.484 7.484 7.699 -0.215 25613
stop_
save_